null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:24:19 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.ins Phases from ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.phi Native data from ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.hkl Listing output to ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.lst Phases output to ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.phs Poly-Ala trace output to ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 52490 Reflections read from file ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.phi 52490 Reflections read from file ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.hkl 52490 Unique data, highest resolution = 2.450 Angstroms Anisotropic scaling: intensities multiplied by 0.000687h^2 -0.000191k^2 +0.000192l^2 +0.000000kl +0.001176hl +0.000000hk 493 Reflections with d > 2.650 and 0 in range 2.650 > d > 2.450 added Density sharpening factor set to 0.07 Fourier grid = 128 x 128 x 63 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.736 = 0.300, Contrast = 0.445, Connect. = 0.675 for dens.mod. cycle 1 = 0.300, Contrast = 0.518, Connect. = 0.686 for dens.mod. cycle 2 = 0.300, Contrast = 0.611, Connect. = 0.710 for dens.mod. cycle 3 = 0.300, Contrast = 0.634, Connect. = 0.719 for dens.mod. cycle 4 = 0.300, Contrast = 0.647, Connect. = 0.725 for dens.mod. cycle 5 = 0.300, Contrast = 0.654, Connect. = 0.729 for dens.mod. cycle 6 = 0.300, Contrast = 0.659, Connect. = 0.732 for dens.mod. cycle 7 = 0.300, Contrast = 0.662, Connect. = 0.734 for dens.mod. cycle 8 = 0.300, Contrast = 0.663, Connect. = 0.736 for dens.mod. cycle 9 = 0.300, Contrast = 0.664, Connect. = 0.737 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3497 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1141 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 26.133 1.929 0.769 0.918 1.000 0.929 CB 1.443 B: 7 7.624 1.678 0.437 0.579 0.833 0.500 CB 1.435 C: 12 5.390 1.750 0.459 0.389 0.636 0.545 CB 1.124 D: 12 8.146 1.695 0.603 0.273 0.909 0.273 CB 1.286 E: 7 2.564 1.626 0.169 0.413 0.833 0.500 CB 0.723 F: 15 18.877 1.911 0.720 0.749 0.929 0.786 CB 1.323 G: 19 26.781 1.806 1.124 0.789 0.889 0.833 CB 1.436 15 residues pruned to eliminate duplicates H: 15 27.262 1.920 1.193 0.906 0.929 0.857 CB 1.326 19 residues pruned to eliminate duplicates I: 14 24.441 1.999 0.841 0.797 0.923 0.846 CB 1.539 14 residues pruned to eliminate duplicates J: 14 10.766 1.848 0.798 0.471 0.846 0.538 CB 1.093 K: 6 8.692 1.870 0.581 0.620 0.800 0.600 CB 1.467 L: 16 21.141 1.868 0.933 0.719 0.800 0.400 CB 1.550 15 residues pruned to eliminate duplicates M: 8 8.939 1.747 0.452 0.713 0.857 0.714 CB 1.281 9 residues pruned to eliminate duplicates N: 7 15.044 1.724 0.997 0.808 1.000 0.833 CB 1.364 8 residues pruned to eliminate duplicates O: 17 22.522 1.820 0.579 0.801 1.000 0.812 N 1.506 P: 13 20.903 1.853 0.963 0.879 1.000 0.750 CB 1.203 Q: 10 17.998 2.021 0.972 0.515 1.000 0.889 CB 1.483 R: 12 12.786 1.850 0.729 0.379 0.909 0.545 CB 1.508 6 residues pruned to eliminate duplicates S: 15 23.542 1.872 0.988 0.807 0.929 0.786 CB 1.393 15 residues pruned to eliminate duplicates T: 12 7.153 1.797 0.692 0.453 0.818 0.545 CB 0.910 9 residues pruned to eliminate duplicates U: 6 9.368 1.885 0.064 0.863 1.000 0.800 CB 1.532 V: 11 12.054 1.874 0.741 0.434 1.000 0.700 CB 1.251 W: 14 16.749 1.832 0.736 0.525 1.000 0.538 CB 1.424 X: 17 25.177 1.748 1.141 0.858 1.000 0.750 CB 1.239 17 residues pruned to eliminate duplicates Y: 9 11.390 1.803 0.729 0.367 1.000 0.625 N 1.489 12 residues pruned to eliminate duplicates Z: 7 3.664 1.380 0.988 0.469 0.667 0.667 N 0.844 Z: 12 19.129 1.939 0.801 0.935 1.000 0.909 CB 1.152 11 residues pruned to eliminate duplicates Z: 42 23.409 1.881 0.476 0.544 0.902 0.585 CB 1.398 26 residues pruned to eliminate duplicates Z: 7 13.097 1.747 0.995 0.719 1.000 0.833 CB 1.259 Z: 8 10.143 1.653 0.677 0.817 0.857 0.571 CB 1.226 Z: 13 11.173 1.771 0.182 0.899 1.000 0.917 CB 1.101 Z: 15 23.919 1.935 0.673 0.765 1.000 0.786 CB 1.561 15 residues pruned to eliminate duplicates Z: 16 26.634 1.983 0.728 0.874 1.000 0.933 CB 1.461 Z: 12 20.814 1.815 0.874 0.924 1.000 0.909 CB 1.295 Z: 40 19.259 1.859 0.421 0.497 0.846 0.667 CB 1.383 18 residues pruned to eliminate duplicates Z: 14 19.954 1.892 0.961 0.830 0.923 0.692 CB 1.215 14 residues pruned to eliminate duplicates Z: 12 11.298 1.626 0.849 0.672 0.909 0.545 CB 1.064 Z: 15 21.623 1.920 0.686 0.922 1.000 0.929 CB 1.256 Z: 15 14.830 1.777 0.440 0.913 0.929 0.857 CB 1.180 13 residues pruned to eliminate duplicates Z: 11 5.185 1.671 0.724 0.421 0.800 0.600 CB 0.773 11 residues pruned to eliminate duplicates Z: 17 20.051 1.691 0.684 0.780 1.000 0.688 CB 1.376 17 residues pruned to eliminate duplicates Z: 11 11.897 1.767 0.755 0.550 0.800 0.600 N 1.444 7 residues pruned to eliminate duplicates Z: 16 28.218 1.951 0.839 0.900 1.000 0.867 CB 1.451 16 residues pruned to eliminate duplicates Z: 17 27.224 1.873 0.833 0.860 1.000 0.750 N 1.458 16 residues pruned to eliminate duplicates Z: 6 5.785 1.814 0.280 0.482 0.800 0.800 N 1.418 Z: 15 20.865 1.956 0.964 0.585 1.000 0.857 CB 1.338 Z: 9 20.571 1.958 0.749 0.845 1.000 0.875 CB 1.578 10 residues pruned to eliminate duplicates Z: 11 12.644 1.946 0.845 0.491 0.900 0.400 CA 1.248 11 residues pruned to eliminate duplicates Z: 18 21.434 1.775 0.752 0.805 0.882 0.588 CB 1.452 17 residues pruned to eliminate duplicates Z: 16 23.015 1.890 0.540 0.836 1.000 0.933 CB 1.529 17 residues pruned to eliminate duplicates Z: 11 6.413 1.587 0.727 0.287 0.800 0.500 CB 1.176 Z: 18 20.083 1.872 0.921 0.764 0.765 0.647 CB 1.401 17 residues pruned to eliminate duplicates Z: 17 14.430 1.711 0.506 0.897 0.938 0.938 CB 1.069 6 residues pruned to eliminate duplicates Z: 11 6.376 1.530 0.528 0.411 0.800 0.700 N 1.183 Z: 9 8.213 1.575 0.593 0.750 0.875 0.875 CB 1.058 Z: 9 11.343 1.689 0.447 0.642 1.000 0.375 O 1.437 Z: 17 19.549 1.780 0.777 0.912 1.000 0.875 CB 1.094 16 residues pruned to eliminate duplicates Z: 10 12.657 1.999 0.536 0.563 1.000 0.778 CB 1.294 10 residues pruned to eliminate duplicates Z: 15 20.682 1.818 0.738 0.900 0.857 0.643 CB 1.459 15 residues pruned to eliminate duplicates Z: 15 10.896 1.806 1.128 0.465 0.857 0.643 CB 0.916 11 residues pruned to eliminate duplicates Z: 6 7.595 1.780 0.214 0.741 1.000 0.400 CB 1.267 6 residues pruned to eliminate duplicates Z: 36 23.210 1.880 0.634 0.566 0.886 0.686 CB 1.353 32 residues pruned to eliminate duplicates Z: 18 15.880 1.785 0.659 0.870 0.941 0.529 CB 1.008 Z: 16 27.807 1.987 0.724 0.839 1.000 0.933 CB 1.566 16 residues pruned to eliminate duplicates Z: 12 4.804 1.710 0.077 0.213 0.818 0.545 CB 1.348 Z: 13 21.030 1.899 0.808 0.910 1.000 0.917 CB 1.254 13 residues pruned to eliminate duplicates Z: 12 17.797 1.760 0.603 0.886 1.000 0.909 CB 1.373 Z: 15 13.593 1.813 0.349 0.867 1.000 0.929 CB 1.087 Z: 7 4.159 1.751 0.124 0.591 1.000 0.500 CB 0.790 Z: 15 26.993 1.895 1.046 0.817 1.000 0.786 CB 1.412 15 residues pruned to eliminate duplicates Z: 16 24.426 1.879 0.826 0.845 1.000 0.667 CB 1.366 16 residues pruned to eliminate duplicates Z: 36 25.633 1.871 0.733 0.580 0.943 0.743 CB 1.312 27 residues pruned to eliminate duplicates Z: 9 14.614 1.592 0.747 0.776 1.000 0.750 CA 1.456 9 residues pruned to eliminate duplicates Z: 15 20.250 1.867 0.645 0.879 0.857 0.643 CB 1.491 15 residues pruned to eliminate duplicates Z: 15 20.658 1.710 1.038 0.919 1.000 0.857 CB 1.117 6 residues pruned to eliminate duplicates Z: 41 26.422 1.914 0.603 0.570 0.950 0.700 CB 1.340 41 residues pruned to eliminate duplicates Z: 15 27.666 1.904 1.100 0.869 0.929 0.643 CB 1.454 15 residues pruned to eliminate duplicates Z: 17 18.858 1.759 0.604 0.842 0.938 0.625 CB 1.328 16 residues pruned to eliminate duplicates Z: 6 5.031 1.633 0.322 0.696 0.800 0.600 N 1.089 Z: 9 12.209 1.836 0.554 0.861 1.000 0.750 CB 1.112 Z: 8 13.531 1.924 0.443 0.719 1.000 0.857 CA 1.511 8 residues pruned to eliminate duplicates Z: 14 9.406 1.788 0.392 0.727 0.846 0.615 CB 1.010 14 residues pruned to eliminate duplicates Z: 7 2.976 1.780 0.076 0.483 0.667 0.500 CB 0.968 7 residues pruned to eliminate duplicates Z: 16 12.115 1.824 0.420 0.425 0.933 0.400 CB 1.399 12 residues pruned to eliminate duplicates Z: 16 16.202 1.796 0.584 0.899 1.000 0.867 CB 1.052 16 residues pruned to eliminate duplicates Z: 12 11.987 1.863 0.715 0.478 0.909 0.636 CB 1.273 Z: 16 17.422 1.708 0.651 0.774 0.867 0.733 CA 1.445 16 residues pruned to eliminate duplicates Z: 9 5.768 1.594 0.577 0.347 0.750 0.500 CB 1.277 Z: 16 17.723 1.748 0.517 0.899 1.000 0.800 CB 1.233 15 residues pruned to eliminate duplicates Z: 10 18.943 1.953 1.027 0.891 1.000 0.889 CB 1.147 11 residues pruned to eliminate duplicates Z: 48 26.572 1.782 0.725 0.571 0.936 0.681 CB 1.258 43 residues pruned to eliminate duplicates Z: 13 22.282 1.821 1.127 0.793 1.000 0.667 CB 1.284 18 residues pruned to eliminate duplicates Z: 6 3.209 1.370 0.098 0.860 1.000 1.000 CB 0.702 Z: 15 18.875 1.847 0.701 0.862 1.000 0.929 CB 1.179 15 residues pruned to eliminate duplicates Z: 31 24.459 1.831 0.550 0.606 0.967 0.767 CB 1.472 32 residues pruned to eliminate duplicates Z: 17 14.453 1.801 0.849 0.529 0.938 0.500 CB 1.125 10 residues pruned to eliminate duplicates Z: 44 22.904 1.834 0.618 0.518 0.953 0.558 CB 1.212 20 residues pruned to eliminate duplicates Z: 15 17.753 1.865 0.256 0.863 1.000 0.929 CB 1.485 15 residues pruned to eliminate duplicates Z: 15 23.211 1.915 0.665 0.800 1.000 0.786 CB 1.497 15 residues pruned to eliminate duplicates Z: 40 19.022 1.829 0.588 0.488 0.897 0.718 CB 1.183 17 residues pruned to eliminate duplicates Z: 13 18.369 1.948 0.797 0.900 1.000 0.917 CB 1.082 13 residues pruned to eliminate duplicates Z: 16 8.402 1.844 0.488 0.455 0.733 0.533 CB 1.130 16 residues pruned to eliminate duplicates Z: 16 21.321 1.891 0.340 0.845 1.000 0.867 CA 1.616 16 residues pruned to eliminate duplicates Z: 18 5.360 1.610 0.303 0.304 0.765 0.412 CB 1.008 18 residues pruned to eliminate duplicates Z: 13 4.983 1.655 0.345 0.394 0.667 0.417 CB 1.084 13 residues pruned to eliminate duplicates Z: 14 15.810 1.791 0.340 0.863 1.000 0.923 CB 1.340 14 residues pruned to eliminate duplicates Z: 28 14.006 1.751 0.705 0.435 0.778 0.593 CB 1.242 28 residues pruned to eliminate duplicates Z: 12 8.309 1.807 0.640 0.366 0.909 0.455 CB 1.073 12 residues pruned to eliminate duplicates Z: 8 8.499 1.728 0.371 0.645 1.000 0.429 CB 1.184 Z: 15 9.966 1.697 0.749 0.405 0.786 0.500 CB 1.263 15 residues pruned to eliminate duplicates Z: 36 25.507 1.866 0.765 0.540 0.914 0.743 CB 1.376 35 residues pruned to eliminate duplicates Z: 9 16.679 1.850 0.891 0.875 0.875 0.750 CB 1.401 9 residues pruned to eliminate duplicates Z: 22 12.054 1.772 0.700 0.456 0.905 0.571 CB 1.009 Z: 8 11.801 1.564 1.227 0.803 0.857 0.714 N 1.147 8 residues pruned to eliminate duplicates Z: 9 9.627 1.560 0.660 0.840 0.875 0.875 CB 1.121 18 residues pruned to eliminate duplicates Z: 18 25.830 1.831 0.809 0.878 1.000 0.941 CB 1.372 18 residues pruned to eliminate duplicates Z: 8 10.865 1.590 0.952 0.805 0.857 0.857 N 1.183 8 residues pruned to eliminate duplicates Z: 17 21.637 1.756 0.825 0.840 0.812 0.625 N 1.551 17 residues pruned to eliminate duplicates Z: 19 6.405 1.467 0.650 0.291 0.667 0.333 CB 1.183 12 residues pruned to eliminate duplicates Z: 14 17.394 1.681 0.578 0.878 1.000 1.000 CB 1.320 12 residues pruned to eliminate duplicates Z: 9 14.176 1.864 0.590 0.816 0.875 0.625 CB 1.468 9 residues pruned to eliminate duplicates Z: 7 7.856 1.751 1.037 0.532 1.000 0.667 CB 0.872 6 residues pruned to eliminate duplicates Z: 8 7.094 1.667 0.750 0.848 0.857 0.714 CB 0.796 Z: 10 7.069 1.674 0.342 0.449 0.889 0.556 CB 1.243 10 residues pruned to eliminate duplicates Z: 32 12.505 1.687 0.820 0.319 0.774 0.419 CB 1.154 13 residues pruned to eliminate duplicates Z: 26 22.721 1.834 0.662 0.661 0.960 0.520 CB 1.338 19 residues pruned to eliminate duplicates Z: 19 15.939 1.768 0.894 0.510 0.889 0.667 CB 1.250 22 residues pruned to eliminate duplicates Z: 16 6.855 1.642 0.554 0.393 0.800 0.400 CB 0.970 Z: 17 18.139 1.617 0.724 0.765 1.000 0.812 CB 1.286 Z: 17 16.863 1.722 0.962 0.890 0.938 0.812 CB 0.958 17 residues pruned to eliminate duplicates Z: 15 21.729 1.915 0.773 0.900 0.929 0.929 CB 1.315 15 residues pruned to eliminate duplicates Z: 64 29.344 1.900 0.778 0.485 0.921 0.619 CB 1.207 76 residues pruned to eliminate duplicates 7 0.758 1.386 0.606 0.250 0.667 0.500 CB 0.278 ? Z: 13 18.232 1.768 0.590 0.913 1.000 0.833 CB 1.325 14 residues pruned to eliminate duplicates Z: 9 9.609 1.659 0.518 0.594 0.875 0.750 CB 1.409 9 residues pruned to eliminate duplicates Z: 12 6.819 1.568 0.326 0.495 0.909 0.636 CB 1.094 Z: 15 5.544 1.766 0.663 0.368 0.714 0.571 CB 0.814 15 residues pruned to eliminate duplicates Z: 8 7.009 1.651 0.841 0.426 0.714 0.714 CB 1.318 10 residues pruned to eliminate duplicates Z: 13 20.043 1.918 0.673 0.901 1.000 0.917 CB 1.288 13 residues pruned to eliminate duplicates Z: 15 8.381 1.693 0.464 0.429 0.857 0.429 CB 1.136 17 residues pruned to eliminate duplicates Z: 7 8.642 1.636 1.307 0.626 0.667 0.667 CA 1.245 Z: 36 24.324 1.811 0.885 0.536 0.943 0.743 CB 1.233 33 residues pruned to eliminate duplicates Z: 6 6.230 1.722 0.132 0.804 1.000 0.600 CB 1.096 6 residues pruned to eliminate duplicates Z: 15 10.861 1.836 0.546 0.477 0.786 0.429 CB 1.332 15 residues pruned to eliminate duplicates Z: 16 21.045 1.879 0.759 0.855 0.933 0.667 CB 1.299 12 residues pruned to eliminate duplicates Z: 11 17.108 1.914 0.856 0.893 1.000 1.000 CB 1.093 11 residues pruned to eliminate duplicates Z: 11 8.257 1.905 0.466 0.429 0.700 0.600 CB 1.438 Z: 14 21.020 1.789 0.796 0.934 1.000 0.923 CB 1.265 12 residues pruned to eliminate duplicates Z: 18 18.705 1.680 1.005 0.888 1.000 0.647 CB 0.970 18 residues pruned to eliminate duplicates Z: 16 26.447 1.906 0.853 0.829 0.933 0.800 CB 1.558 16 residues pruned to eliminate duplicates Z: 18 14.727 1.900 0.517 0.423 1.000 0.588 CB 1.343 18 residues pruned to eliminate duplicates Z: 6 4.701 1.549 0.678 0.677 0.800 0.800 CB 0.858 6 residues pruned to eliminate duplicates Z: 29 24.566 1.856 0.627 0.627 0.964 0.857 CB 1.414 29 residues pruned to eliminate duplicates Z: 7 6.160 1.585 0.777 0.630 0.833 0.500 CB 0.948 Z: 10 12.458 1.527 0.650 0.734 1.000 0.778 N 1.336 10 residues pruned to eliminate duplicates Z: 8 10.804 1.628 0.869 0.755 1.000 0.714 CA 1.069 8 residues pruned to eliminate duplicates Z: 15 14.914 1.797 0.524 0.905 0.929 0.857 CB 1.116 15 residues pruned to eliminate duplicates Z: 45 25.654 1.829 0.640 0.551 0.909 0.614 CB 1.350 45 residues pruned to eliminate duplicates Z: 11 11.459 1.929 0.588 0.419 0.900 0.700 CB 1.430 11 residues pruned to eliminate duplicates Z: 11 4.680 1.701 -0.125 0.471 0.900 0.500 CB 1.138 Z: 33 14.024 1.755 0.677 0.523 0.812 0.531 CB 1.013 33 residues pruned to eliminate duplicates Z: 8 4.156 1.347 0.946 0.428 0.714 0.714 O 0.904 6 1.556 1.402 0.284 0.297 0.800 0.600 CB 0.606 ? Z: 6 9.573 1.811 0.308 0.814 1.000 0.800 CB 1.375 6 residues pruned to eliminate duplicates Z: 7 8.060 1.543 0.336 0.833 1.000 0.667 O 1.198 7 residues pruned to eliminate duplicates Z: 8 6.340 1.505 0.328 0.818 0.857 0.857 CB 1.061 Z: 18 19.398 1.775 0.937 0.865 0.882 0.706 CB 1.136 16 residues pruned to eliminate duplicates Z: 21 16.519 1.564 0.645 0.855 0.900 0.800 CB 1.178 21 residues pruned to eliminate duplicates Z: 12 3.860 1.488 0.437 0.425 0.545 0.273 CA 1.079 6 1.908 1.656 0.332 0.282 0.400 0.400 CB 1.237 ? Z: 11 7.214 1.633 0.418 0.461 0.900 0.700 N 1.140 11 residues pruned to eliminate duplicates Z: 19 20.418 1.873 1.119 0.544 0.889 0.667 CB 1.307 16 residues pruned to eliminate duplicates Z: 15 19.224 1.842 0.737 0.826 1.000 0.857 CB 1.211 15 residues pruned to eliminate duplicates Z: 16 7.530 1.551 0.578 0.390 0.867 0.467 CB 1.030 14 residues pruned to eliminate duplicates Z: 7 10.188 1.716 0.385 0.703 1.000 0.667 CA 1.454 7 residues pruned to eliminate duplicates Z: 19 7.145 1.723 0.589 0.408 0.778 0.444 CB 0.872 8 residues pruned to eliminate duplicates Z: 42 27.086 1.821 0.799 0.597 0.951 0.707 CB 1.237 48 residues pruned to eliminate duplicates Z: 17 18.982 1.798 0.660 0.870 1.000 0.812 CB 1.160 17 residues pruned to eliminate duplicates Z: 15 22.778 1.898 0.883 0.930 1.000 0.786 CB 1.191 15 residues pruned to eliminate duplicates Z: 32 23.078 1.716 0.675 0.587 0.968 0.645 CA 1.371 17 residues pruned to eliminate duplicates Z: 16 20.243 1.937 0.891 0.556 0.933 0.667 CB 1.448 16 residues pruned to eliminate duplicates Z: 22 26.622 1.883 0.871 0.779 1.000 0.762 CB 1.289 22 residues pruned to eliminate duplicates Z: 33 22.069 1.930 0.515 0.565 0.875 0.656 CB 1.432 33 residues pruned to eliminate duplicates Z: 10 8.962 1.662 0.830 0.475 0.889 0.667 CB 1.133 9 residues pruned to eliminate duplicates Z: 14 20.211 1.690 0.899 0.868 1.000 0.846 CB 1.277 14 residues pruned to eliminate duplicates Z: 19 7.296 1.640 0.289 0.397 0.778 0.556 CB 1.167 Z: 10 9.458 1.781 0.639 0.465 0.778 0.444 CA 1.440 Z: 35 24.166 1.855 0.673 0.638 0.941 0.853 CB 1.247 35 residues pruned to eliminate duplicates Z: 18 24.296 1.899 0.820 0.830 0.882 0.647 CA 1.452 18 residues pruned to eliminate duplicates 11 1.719 1.433 0.655 0.150 0.700 0.400 CB 0.504 ? Z: 9 3.443 1.429 1.032 0.274 0.500 0.375 CB 1.083 Z: 10 19.370 1.695 1.203 0.882 1.000 0.778 CA 1.251 6 residues pruned to eliminate duplicates Z: 64 25.628 1.851 0.633 0.465 0.889 0.619 CB 1.246 64 residues pruned to eliminate duplicates Z: 17 13.032 1.699 0.808 0.483 0.938 0.750 CB 1.151 13 residues pruned to eliminate duplicates Z: 18 24.461 1.858 0.687 0.884 1.000 0.882 CB 1.367 18 residues pruned to eliminate duplicates Z: 32 23.875 1.845 0.661 0.593 0.903 0.710 CB 1.418 32 residues pruned to eliminate duplicates Z: 51 24.601 1.817 0.678 0.559 0.920 0.640 CB 1.171 65 residues pruned to eliminate duplicates Z: 26 13.459 1.629 0.445 0.544 0.960 0.680 CB 1.141 Z: 17 16.271 1.801 0.347 0.814 1.000 0.812 CA 1.275 17 residues pruned to eliminate duplicates Z: 15 15.143 1.815 0.520 0.897 1.000 0.929 CB 1.050 15 residues pruned to eliminate duplicates Z: 7 7.665 1.703 0.548 0.629 1.000 0.833 CB 1.051 Z: 7 6.251 1.601 0.659 0.531 0.833 0.500 CA 1.118 7 residues pruned to eliminate duplicates Z: 14 9.636 1.645 1.026 0.417 0.692 0.615 N 1.263 14 residues pruned to eliminate duplicates Z: 10 9.223 1.722 0.553 0.558 0.889 0.444 CB 1.223 12 residues pruned to eliminate duplicates Z: 10 11.671 1.756 0.560 0.793 0.778 0.667 CB 1.412 10 residues pruned to eliminate duplicates Z: 7 14.046 1.793 0.740 0.772 1.000 0.833 CB 1.446 7 residues pruned to eliminate duplicates Z: 31 20.649 1.863 0.732 0.510 0.933 0.667 CB 1.239 31 residues pruned to eliminate duplicates Z: 46 28.569 1.835 0.622 0.563 0.956 0.622 CB 1.409 47 residues pruned to eliminate duplicates Z: 17 16.152 1.769 0.572 0.901 0.938 0.750 CB 1.106 17 residues pruned to eliminate duplicates Z: 46 31.581 1.883 0.742 0.597 0.956 0.711 CB 1.369 46 residues pruned to eliminate duplicates Z: 10 6.457 1.676 0.564 0.311 0.889 0.444 CB 1.139 Z: 18 21.161 1.782 0.534 0.832 0.941 0.882 CB 1.498 18 residues pruned to eliminate duplicates Z: 6 6.050 1.713 0.466 0.681 0.800 0.600 CB 1.141 6 residues pruned to eliminate duplicates Z: 12 10.444 1.588 0.451 0.871 0.909 0.727 CB 1.097 Z: 31 20.969 1.844 0.715 0.528 0.933 0.600 CB 1.262 31 residues pruned to eliminate duplicates Z: 7 4.556 1.690 0.623 0.716 0.833 0.833 CB 0.669 Z: 9 7.152 1.710 1.025 0.233 0.875 0.500 CB 1.139 Z: 10 4.788 1.717 -0.114 0.682 0.889 0.889 CB 0.998 Z: 19 16.506 1.712 0.631 0.772 0.889 0.722 CB 1.232 19 residues pruned to eliminate duplicates Z: 17 21.661 1.868 0.851 0.874 1.000 0.625 CB 1.140 17 residues pruned to eliminate duplicates Z: 8 5.952 1.540 0.966 0.682 0.571 0.571 N 1.101 8 residues pruned to eliminate duplicates Z: 13 12.932 1.584 0.539 0.912 0.917 0.833 CB 1.183 12 residues pruned to eliminate duplicates Z: 21 19.703 1.915 0.945 0.518 0.850 0.600 CB 1.367 21 residues pruned to eliminate duplicates Z: 7 2.574 1.559 0.264 0.523 0.833 0.500 CB 0.626 7 residues pruned to eliminate duplicates Z: 6 9.510 2.013 0.245 0.669 1.000 1.000 CB 1.452 6 residues pruned to eliminate duplicates Z: 12 9.302 1.721 0.272 0.510 0.909 0.636 CB 1.395 11 residues pruned to eliminate duplicates Z: 6 11.731 1.856 0.750 0.723 1.000 0.600 CA 1.321 6 residues pruned to eliminate duplicates Z: 9 4.215 1.471 0.211 0.572 0.625 0.375 O 1.248 Z: 17 28.290 1.844 0.974 0.889 1.000 0.688 CB 1.399 17 residues pruned to eliminate duplicates Z: 10 10.432 1.727 0.784 0.725 0.778 0.444 CB 1.185 9 residues pruned to eliminate duplicates Z: 12 5.377 1.489 0.147 0.748 0.818 0.636 CB 0.930 6 residues pruned to eliminate duplicates Z: 11 10.340 1.687 0.626 0.702 1.000 0.800 CB 0.992 11 residues pruned to eliminate duplicates Z: 13 18.089 1.776 0.814 0.857 0.917 0.917 CB 1.303 13 residues pruned to eliminate duplicates Z: 7 4.046 1.246 0.319 0.805 0.833 0.500 C 0.924 Z: 40 27.097 1.827 0.868 0.546 0.923 0.718 CB 1.317 40 residues pruned to eliminate duplicates Z: 12 6.046 1.597 0.673 0.247 0.636 0.273 CB 1.436 9 residues pruned to eliminate duplicates Z: 15 17.031 1.724 0.768 0.876 1.000 0.929 CB 1.086 11 residues pruned to eliminate duplicates Z: 13 17.727 1.822 0.696 0.850 1.000 0.750 CB 1.227 13 residues pruned to eliminate duplicates Z: 21 16.846 1.809 0.644 0.577 0.800 0.600 CB 1.469 21 residues pruned to eliminate duplicates Z: 12 14.109 1.728 0.741 0.756 1.000 0.273 CB 1.126 12 residues pruned to eliminate duplicates Z: 6 2.039 1.348 0.464 0.296 0.600 0.400 CB 0.967 Z: 17 17.746 1.793 0.630 0.906 1.000 0.812 CB 1.080 17 residues pruned to eliminate duplicates Z: 14 5.737 1.506 0.439 0.368 0.846 0.385 CB 1.000 Z: 35 18.599 1.819 0.786 0.400 0.882 0.647 CB 1.237 35 residues pruned to eliminate duplicates Z: 17 17.566 1.790 0.710 0.871 0.938 0.625 CB 1.116 17 residues pruned to eliminate duplicates Z: 6 8.941 1.669 1.029 0.701 1.000 1.000 CB 0.983 Z: 16 12.600 1.709 0.440 0.848 0.933 0.733 CB 1.051 16 residues pruned to eliminate duplicates Z: 7 4.415 1.722 -0.105 0.561 0.833 0.667 CB 1.323 6 residues pruned to eliminate duplicates Z: 6 6.755 1.453 0.345 0.812 1.000 0.600 CB 1.178 6 residues pruned to eliminate duplicates Z: 13 18.252 1.702 0.883 0.875 1.000 1.000 CB 1.196 12 residues pruned to eliminate duplicates Z: 12 7.494 1.579 0.723 0.410 0.818 0.364 N 1.115 12 residues pruned to eliminate duplicates Z: 38 19.061 1.801 0.565 0.528 0.919 0.595 CB 1.177 38 residues pruned to eliminate duplicates Z: 9 6.086 1.530 0.400 0.393 1.000 0.750 CA 1.125 8 residues pruned to eliminate duplicates Z: 14 10.586 1.552 0.669 0.756 0.846 0.538 CB 1.067 14 residues pruned to eliminate duplicates Z: 14 21.160 1.762 0.884 0.889 1.000 0.846 CB 1.272 14 residues pruned to eliminate duplicates Z: 7 6.912 1.638 0.017 0.848 1.000 1.000 CB 1.256 Z: 6 5.897 1.626 0.447 0.668 0.800 0.200 CA 1.200 6 residues pruned to eliminate duplicates Z: 8 6.076 1.681 0.571 0.458 0.857 0.714 CB 1.059 7 residues pruned to eliminate duplicates Z: 6 5.957 1.518 0.735 0.650 0.800 0.600 CB 1.100 Z: 17 14.037 1.659 0.564 0.744 0.875 0.750 CB 1.243 17 residues pruned to eliminate duplicates Z: 15 12.946 1.662 0.558 0.838 0.929 0.786 CB 1.076 15 residues pruned to eliminate duplicates Z: 10 13.181 1.733 0.726 0.915 1.000 1.000 CB 1.038 10 residues pruned to eliminate duplicates Z: 11 13.904 1.790 0.552 0.902 1.000 0.600 CB 1.129 11 residues pruned to eliminate duplicates Z: 16 16.459 1.794 0.815 0.674 1.000 0.467 CB 1.112 16 residues pruned to eliminate duplicates Z: 16 20.457 1.823 0.536 0.885 1.000 0.933 CB 1.362 16 residues pruned to eliminate duplicates Z: 12 14.714 1.735 0.856 0.826 0.909 0.909 CB 1.143 12 residues pruned to eliminate duplicates Z: 16 18.267 1.805 0.985 0.838 0.933 0.800 CB 1.054 16 residues pruned to eliminate duplicates Z: 44 24.423 1.810 0.733 0.598 0.907 0.674 CB 1.192 44 residues pruned to eliminate duplicates Z: 15 10.044 1.689 0.588 0.500 0.857 0.714 CB 1.167 10 residues pruned to eliminate duplicates Z: 7 6.309 1.867 0.142 0.476 0.833 0.500 O 1.485 7 residues pruned to eliminate duplicates Z: 7 8.290 1.734 0.560 0.611 0.833 0.667 CB 1.351 7 residues pruned to eliminate duplicates Z: 21 18.314 1.764 0.552 0.653 0.900 0.700 CB 1.441 21 residues pruned to eliminate duplicates Z: 14 9.467 1.654 0.807 0.328 0.846 0.538 CB 1.254 Z: 7 3.794 1.499 0.339 0.405 0.833 0.500 CA 1.023 Z: 27 14.972 1.790 0.267 0.598 0.885 0.692 CB 1.333 27 residues pruned to eliminate duplicates Z: 16 17.505 1.843 0.784 0.851 0.933 0.667 CB 1.090 16 residues pruned to eliminate duplicates Z: 9 6.650 1.726 0.911 0.573 0.750 0.625 CB 0.886 9 residues pruned to eliminate duplicates Z: 12 11.488 1.575 0.589 0.825 0.909 0.545 CA 1.148 10 residues pruned to eliminate duplicates Z: 14 19.293 1.901 0.814 0.572 1.000 0.692 CB 1.448 19 residues pruned to eliminate duplicates Z: 11 11.089 1.659 0.714 0.705 1.000 0.800 CB 1.023 11 residues pruned to eliminate duplicates 7 1.584 1.623 -0.009 0.247 0.500 0.500 CB 1.078 ? Z: 35 23.456 1.795 0.517 0.593 0.971 0.559 CB 1.393 35 residues pruned to eliminate duplicates Z: 34 15.636 1.761 0.547 0.577 0.879 0.697 CB 1.055 34 residues pruned to eliminate duplicates Z: 10 8.140 1.896 0.387 0.434 0.778 0.556 CA 1.420 10 residues pruned to eliminate duplicates Z: 18 15.160 1.729 0.817 0.514 0.941 0.647 CB 1.227 18 residues pruned to eliminate duplicates Z: 14 12.381 1.539 0.573 0.835 1.000 0.769 CB 1.063 14 residues pruned to eliminate duplicates Z: 41 24.080 1.911 0.564 0.535 0.925 0.700 CB 1.331 41 residues pruned to eliminate duplicates Z: 9 2.757 1.306 0.691 0.279 0.500 0.375 CB 1.132 Z: 7 5.219 1.468 0.967 0.378 0.667 0.500 N 1.261 7 residues pruned to eliminate duplicates Z: 17 12.492 1.738 0.765 0.576 0.875 0.688 CB 1.082 Z: 52 22.710 1.729 0.594 0.515 0.922 0.667 CB 1.232 52 residues pruned to eliminate duplicates Z: 13 12.845 1.814 0.826 0.397 0.917 0.500 CB 1.361 13 residues pruned to eliminate duplicates Z: 26 13.004 1.612 0.703 0.442 0.800 0.480 CB 1.258 21 residues pruned to eliminate duplicates Z: 16 24.630 1.892 0.951 0.853 0.933 0.533 CB 1.364 16 residues pruned to eliminate duplicates Z: 6 5.067 1.579 0.108 0.627 1.000 0.800 CB 1.149 Z: 14 16.525 1.664 0.988 0.897 0.923 0.615 CB 1.075 14 residues pruned to eliminate duplicates Z: 38 14.392 1.760 0.527 0.488 0.865 0.595 CB 1.031 44 residues pruned to eliminate duplicates Z: 6 2.452 1.702 0.674 0.500 0.600 0.400 CB 0.642 Z: 30 23.369 1.830 0.638 0.661 0.931 0.586 CB 1.338 26 residues pruned to eliminate duplicates Z: 21 9.691 1.746 0.573 0.320 0.850 0.500 CB 1.132 23 residues pruned to eliminate duplicates Z: 10 7.454 1.561 0.380 0.570 0.889 0.556 CB 1.213 Z: 16 15.401 1.752 0.564 0.858 0.933 0.600 CB 1.145 16 residues pruned to eliminate duplicates Z: 8 11.252 1.376 1.105 0.791 1.000 0.714 N 1.137 8 residues pruned to eliminate duplicates Z: 15 3.866 1.709 0.451 0.176 0.643 0.357 CB 0.959 15 residues pruned to eliminate duplicates Z: 9 3.743 1.554 0.339 0.349 0.875 0.375 CB 0.856 Z: 11 4.579 1.422 0.532 0.285 0.800 0.400 CB 1.058 Z: 15 22.719 1.875 0.815 0.801 0.929 0.786 CB 1.477 15 residues pruned to eliminate duplicates Z: 17 10.045 1.755 0.618 0.486 0.812 0.625 CB 1.104 17 residues pruned to eliminate duplicates Z: 13 19.110 1.873 0.926 0.566 1.000 0.667 CA 1.436 13 residues pruned to eliminate duplicates Z: 9 7.155 1.777 0.443 0.507 0.875 0.625 CB 1.120 Z: 7 7.995 1.604 0.720 0.767 1.000 0.833 CB 0.934 7 residues pruned to eliminate duplicates Z: 9 6.160 1.600 0.254 0.768 1.000 0.625 CB 0.856 9 residues pruned to eliminate duplicates Z: 8 9.088 1.588 0.703 0.484 1.000 0.857 CA 1.291 9 residues pruned to eliminate duplicates Z: 17 13.753 1.803 0.671 0.673 0.938 0.500 CB 1.038 17 residues pruned to eliminate duplicates Z: 12 20.260 1.700 1.079 0.877 1.000 0.727 CB 1.255 11 residues pruned to eliminate duplicates Z: 9 5.884 1.541 0.231 0.630 1.000 0.500 CB 0.971 8 residues pruned to eliminate duplicates Z: 7 5.565 1.419 0.919 0.532 0.833 0.333 O 0.970 Z: 10 15.028 1.653 0.844 0.881 1.000 0.778 CB 1.191 10 residues pruned to eliminate duplicates Z: 15 19.653 1.684 0.988 0.849 1.000 0.714 CB 1.163 15 residues pruned to eliminate duplicates Z: 6 8.349 1.557 1.173 0.859 0.800 0.800 N 1.015 6 residues pruned to eliminate duplicates Z: 10 12.291 1.693 0.988 0.858 0.778 0.778 CB 1.153 10 residues pruned to eliminate duplicates Z: 8 12.164 1.748 0.743 0.668 0.857 0.714 N 1.508 8 residues pruned to eliminate duplicates Z: 9 4.991 1.436 0.396 0.399 0.875 0.375 CA 1.120 Z: 6 2.840 1.428 -0.036 0.588 0.800 0.200 CB 1.060 6 residues pruned to eliminate duplicates Z: 7 6.299 1.439 0.573 0.652 1.000 0.500 O 0.986 Z: 32 16.276 1.677 0.572 0.506 0.903 0.613 CB 1.220 32 residues pruned to eliminate duplicates Z: 12 19.620 1.822 1.300 0.844 1.000 0.364 CB 1.051 12 residues pruned to eliminate duplicates Z: 17 18.817 1.798 0.827 0.924 0.875 0.562 CB 1.149 17 residues pruned to eliminate duplicates Z: 28 22.696 1.799 0.867 0.601 0.852 0.593 CB 1.387 28 residues pruned to eliminate duplicates Z: 11 11.541 1.757 0.793 0.450 0.900 0.600 CB 1.355 11 residues pruned to eliminate duplicates Z: 11 6.549 1.501 0.484 0.451 1.000 0.600 CB 0.978 11 residues pruned to eliminate duplicates Z: 8 3.240 1.533 0.350 0.418 0.714 0.286 N 0.902 Z: 18 23.788 1.852 0.803 0.855 0.882 0.824 CB 1.445 18 residues pruned to eliminate duplicates Z: 7 8.949 1.534 1.088 0.715 0.833 0.500 CA 1.126 7 residues pruned to eliminate duplicates Z: 15 20.005 1.822 0.757 0.869 1.000 0.857 CB 1.220 15 residues pruned to eliminate duplicates Z: 12 11.062 1.668 0.959 0.448 0.909 0.545 CB 1.185 12 residues pruned to eliminate duplicates Z: 17 3.992 1.497 0.251 0.283 0.750 0.188 CB 0.907 8 residues pruned to eliminate duplicates Z: 17 13.733 1.782 0.649 0.879 0.875 0.688 CB 0.968 17 residues pruned to eliminate duplicates Z: 23 12.974 1.626 0.732 0.546 0.909 0.455 CB 1.033 23 residues pruned to eliminate duplicates Z: 16 8.540 1.571 0.450 0.453 0.933 0.467 CB 1.089 28 residues pruned to eliminate duplicates Z: 7 5.276 1.494 0.636 0.455 1.000 0.667 CB 0.923 7 residues pruned to eliminate duplicates Z: 6 3.427 1.623 0.642 0.265 0.800 0.200 CB 0.940 Z: 14 17.287 1.830 0.560 0.887 1.000 0.769 CB 1.210 14 residues pruned to eliminate duplicates Z: 6 9.487 1.665 0.367 0.812 1.000 1.000 CA 1.421 Z: 26 19.916 1.797 0.682 0.718 0.920 0.720 CB 1.176 25 residues pruned to eliminate duplicates Z: 14 14.354 1.736 0.584 0.815 0.923 0.692 CB 1.193 14 residues pruned to eliminate duplicates Z: 6 4.549 1.799 0.874 0.337 1.000 0.400 CB 0.721 Z: 12 16.421 1.741 0.950 0.729 0.909 0.727 CB 1.306 Z: 14 6.441 1.429 0.638 0.309 0.846 0.231 N 1.115 Z: 13 11.166 1.591 0.758 0.805 0.917 0.750 CB 0.963 13 residues pruned to eliminate duplicates Z: 9 15.570 1.896 0.638 0.878 1.000 0.875 CB 1.287 9 residues pruned to eliminate duplicates Z: 6 4.009 1.200 0.525 0.747 1.000 0.800 CB 0.786 Z: 7 3.223 1.587 0.403 0.541 1.000 0.833 CB 0.568 Z: 13 21.801 1.886 0.812 0.865 1.000 0.833 CB 1.350 13 residues pruned to eliminate duplicates Z: 46 27.383 1.874 0.644 0.558 0.911 0.667 CB 1.375 46 residues pruned to eliminate duplicates Z: 7 5.659 1.631 -0.079 0.697 1.000 0.833 O 1.284 Z: 15 12.464 1.635 0.605 0.754 0.857 0.500 CB 1.181 15 residues pruned to eliminate duplicates Z: 16 19.851 1.864 0.717 0.887 0.933 0.733 CB 1.238 16 residues pruned to eliminate duplicates Z: 7 7.338 1.521 0.654 0.789 0.833 0.833 O 1.108 Z: 9 9.716 1.775 0.488 0.610 0.875 0.875 CB 1.339 9 residues pruned to eliminate duplicates Z: 6 7.152 1.793 0.410 0.544 0.800 0.600 O 1.513 8 residues pruned to eliminate duplicates Z: 10 3.352 1.594 0.225 0.257 0.889 0.556 CB 0.850 Z: 15 12.798 1.743 0.376 0.888 1.000 0.786 CB 1.027 15 residues pruned to eliminate duplicates Z: 18 19.282 1.828 0.644 0.674 0.882 0.647 CB 1.502 18 residues pruned to eliminate duplicates Z: 37 20.384 1.841 0.649 0.496 0.944 0.528 CB 1.190 37 residues pruned to eliminate duplicates Z: 10 14.305 1.712 0.945 0.794 0.889 0.778 CB 1.245 12 residues pruned to eliminate duplicates Z: 8 5.693 1.476 0.592 0.519 0.857 0.571 CB 1.049 6 1.980 1.524 0.356 0.343 0.600 0.200 CB 0.847 ? Z: 19 13.045 1.715 0.899 0.629 0.833 0.444 CB 1.004 19 residues pruned to eliminate duplicates Z: 7 8.075 1.556 0.488 0.829 0.833 0.667 CB 1.286 Z: 9 3.610 1.556 0.256 0.331 0.750 0.500 CB 1.048 9 residues pruned to eliminate duplicates Z: 6 5.008 1.651 0.518 0.615 0.800 0.400 CB 1.002 3 residues pruned to eliminate duplicates Z: 6 7.574 1.600 0.750 0.811 1.000 1.000 CB 0.923 Z: 6 4.608 1.559 0.503 0.473 0.800 0.600 CB 1.130 Z: 19 14.535 1.721 0.771 0.493 0.889 0.611 CB 1.273 Z: 41 18.790 1.660 0.686 0.518 0.925 0.525 CB 1.127 34 residues pruned to eliminate duplicates Z: 6 6.104 1.690 0.826 0.498 0.800 0.200 CB 1.108 Z: 7 4.347 1.793 1.086 0.452 0.667 0.667 CB 0.748 Z: 16 7.193 1.575 0.460 0.503 0.933 0.667 CB 0.863 Z: 9 7.551 1.619 0.726 0.458 0.875 0.750 CB 1.140 Z: 16 20.840 1.824 0.715 0.822 1.000 0.933 CB 1.301 16 residues pruned to eliminate duplicates Z: 7 3.443 1.624 0.052 0.672 0.833 0.667 CB 0.843 Z: 16 27.130 1.966 1.180 0.617 1.000 0.667 CB 1.463 18 residues pruned to eliminate duplicates Z: 26 16.149 1.801 0.551 0.513 0.840 0.560 CB 1.359 26 residues pruned to eliminate duplicates Z: 20 16.414 1.865 1.150 0.550 0.842 0.684 CB 1.062 20 residues pruned to eliminate duplicates Z: 13 14.369 1.675 0.694 0.877 1.000 0.583 CB 1.062 13 residues pruned to eliminate duplicates Z: 12 13.599 1.593 0.733 0.915 1.000 0.818 CB 1.050 10 residues pruned to eliminate duplicates 6 1.139 1.317 0.673 0.425 0.800 0.400 N 0.313 ? Z: 29 12.768 1.755 0.505 0.434 0.821 0.571 CB 1.191 29 residues pruned to eliminate duplicates Z: 8 5.824 1.689 0.210 0.363 1.000 0.429 N 1.249 Z: 16 5.014 1.646 0.221 0.344 0.733 0.400 CB 1.040 12 residues pruned to eliminate duplicates Z: 8 4.645 1.618 0.535 0.516 0.714 0.429 CB 0.974 Z: 6 9.802 1.749 0.550 0.822 1.000 0.800 CA 1.223 6 residues pruned to eliminate duplicates Z: 14 14.666 1.676 0.510 0.888 1.000 0.692 CB 1.158 14 residues pruned to eliminate duplicates Z: 10 13.004 1.727 0.931 0.815 0.889 0.556 CB 1.113 10 residues pruned to eliminate duplicates Z: 26 17.358 1.760 0.572 0.671 0.960 0.760 CB 1.117 26 residues pruned to eliminate duplicates Z: 8 9.245 1.474 0.857 0.807 1.000 1.000 CA 0.976 8 residues pruned to eliminate duplicates Z: 24 14.781 1.727 0.743 0.556 0.826 0.391 CB 1.174 19 residues pruned to eliminate duplicates Z: 17 6.982 1.592 0.441 0.330 0.750 0.562 CB 1.222 10 residues pruned to eliminate duplicates Z: 12 11.177 1.799 0.656 0.560 0.909 0.727 CB 1.173 12 residues pruned to eliminate duplicates Z: 17 23.466 1.844 0.778 0.872 0.938 0.562 CA 1.391 17 residues pruned to eliminate duplicates Z: 17 22.177 1.841 0.679 0.870 1.000 0.875 CB 1.309 13 residues pruned to eliminate duplicates Z: 6 3.391 1.645 0.070 0.688 0.800 0.600 CB 0.906 Z: 48 21.724 1.830 0.587 0.518 0.894 0.596 CB 1.200 48 residues pruned to eliminate duplicates Z: 14 5.560 1.533 0.562 0.376 0.692 0.462 CB 1.062 14 residues pruned to eliminate duplicates Z: 11 2.919 1.419 0.313 0.283 0.700 0.400 CB 0.904 Z: 14 23.020 1.882 1.060 0.909 0.923 0.538 CB 1.266 14 residues pruned to eliminate duplicates Z: 7 11.049 1.619 0.910 0.716 1.000 0.833 CA 1.200 Z: 9 9.962 1.594 0.423 0.904 1.000 0.875 CB 1.106 9 residues pruned to eliminate duplicates Z: 13 20.530 1.783 0.949 0.920 1.000 0.917 CB 1.201 13 residues pruned to eliminate duplicates Z: 15 11.879 1.604 0.848 0.620 0.929 0.786 CB 1.029 15 residues pruned to eliminate duplicates Z: 15 5.734 1.686 0.381 0.401 0.714 0.571 CB 1.022 14 residues pruned to eliminate duplicates Z: 7 6.425 1.525 0.760 0.617 0.833 0.667 CA 1.050 7 residues pruned to eliminate duplicates Z: 9 9.855 1.726 1.039 0.658 0.875 0.500 CB 0.977 9 residues pruned to eliminate duplicates Z: 6 3.467 1.552 0.497 0.485 0.800 0.600 CB 0.847 Z: 10 5.373 1.446 0.514 0.477 0.778 0.556 CB 1.076 Z: 8 5.680 1.547 0.768 0.568 0.714 0.714 CB 1.029 Z: 46 24.543 1.855 0.665 0.575 0.889 0.711 CB 1.240 46 residues pruned to eliminate duplicates Z: 11 4.537 1.366 0.712 0.271 0.900 0.500 CB 0.884 Z: 7 8.178 1.591 0.918 0.456 0.833 0.333 O 1.373 7 residues pruned to eliminate duplicates Z: 6 10.772 1.565 0.827 0.812 1.000 0.600 CA 1.285 5 residues pruned to eliminate duplicates Z: 25 18.833 1.701 0.730 0.622 1.000 0.750 CB 1.164 25 residues pruned to eliminate duplicates Z: 14 6.815 1.606 0.458 0.440 0.769 0.462 CB 1.117 14 residues pruned to eliminate duplicates Z: 6 15.650 1.733 1.303 0.757 1.000 1.000 CA 1.395 7 residues pruned to eliminate duplicates Z: 21 13.682 1.711 0.701 0.657 0.850 0.650 CB 1.069 21 residues pruned to eliminate duplicates Z: 8 5.700 1.581 0.468 0.522 1.000 0.857 CB 0.909 Z: 8 3.901 1.516 0.238 0.315 0.857 0.286 CB 1.124 8 residues pruned to eliminate duplicates Z: 8 8.278 1.494 0.511 0.654 1.000 0.714 O 1.201 Z: 22 18.534 1.769 0.782 0.639 0.857 0.667 CB 1.314 22 residues pruned to eliminate duplicates Z: 6 5.776 1.681 0.655 0.593 0.800 0.600 CA 1.062 4 residues pruned to eliminate duplicates Z: 12 17.466 1.801 0.575 0.893 1.000 0.818 CB 1.333 12 residues pruned to eliminate duplicates Z: 11 4.740 1.627 0.340 0.348 0.800 0.500 CB 1.013 Z: 8 11.303 1.732 0.642 0.863 0.857 0.714 CB 1.285 8 residues pruned to eliminate duplicates Z: 7 4.674 1.533 0.411 0.323 0.833 0.500 O 1.286 Z: 21 14.032 1.544 0.670 0.777 0.950 0.700 CB 1.004 21 residues pruned to eliminate duplicates Z: 11 3.495 1.519 0.812 0.160 0.600 0.400 N 1.014 11 residues pruned to eliminate duplicates Z: 11 3.954 1.480 0.243 0.492 0.900 0.600 CB 0.761 Z: 13 18.196 1.705 1.117 0.869 0.917 0.583 CB 1.160 13 residues pruned to eliminate duplicates Z: 14 6.739 1.669 0.512 0.439 0.769 0.462 CB 1.026 14 residues pruned to eliminate duplicates Z: 9 5.583 1.851 -0.002 0.529 0.875 0.625 CB 1.187 9 residues pruned to eliminate duplicates Z: 13 19.802 1.769 0.717 0.907 1.000 1.000 CB 1.338 13 residues pruned to eliminate duplicates Z: 12 8.363 1.551 0.563 0.527 1.000 0.455 CB 1.013 12 residues pruned to eliminate duplicates Z: 15 11.210 1.846 0.622 0.410 0.929 0.429 CA 1.185 34 residues pruned to eliminate duplicates Z: 16 17.717 1.753 0.934 0.925 0.933 0.733 CB 1.014 16 residues pruned to eliminate duplicates Z: 6 6.067 1.511 0.624 0.629 0.800 0.600 CB 1.223 6 residues pruned to eliminate duplicates Z: 8 5.809 1.755 0.384 0.557 1.000 0.714 CB 0.855 Z: 16 17.501 1.855 0.734 0.832 0.933 0.667 CB 1.130 16 residues pruned to eliminate duplicates Z: 14 8.622 1.597 0.407 0.575 0.846 0.462 CB 1.170 10 residues pruned to eliminate duplicates Z: 6 7.290 1.489 0.604 0.728 1.000 0.600 CA 1.111 Z: 7 9.545 1.745 0.858 0.689 0.833 0.500 CA 1.214 7 residues pruned to eliminate duplicates Z: 12 10.866 1.545 0.382 0.873 1.000 1.000 CB 1.118 12 residues pruned to eliminate duplicates Z: 10 6.187 1.678 0.451 0.431 0.667 0.444 CA 1.364 10 residues pruned to eliminate duplicates Z: 20 10.091 1.680 0.454 0.455 0.842 0.526 CB 1.178 26 residues pruned to eliminate duplicates Z: 8 9.802 1.554 0.699 0.851 1.000 0.714 N 1.039 8 residues pruned to eliminate duplicates Z: 9 8.911 1.810 0.824 0.468 0.875 0.625 CB 1.126 9 residues pruned to eliminate duplicates Z: 8 7.788 1.672 0.447 0.567 1.000 0.429 CB 1.140 Z: 12 8.534 1.701 0.980 0.556 0.818 0.727 CB 0.884 12 residues pruned to eliminate duplicates Z: 10 7.230 1.632 0.714 0.750 0.889 0.778 CB 0.775 10 residues pruned to eliminate duplicates Z: 17 10.357 1.595 0.732 0.527 0.875 0.688 CB 1.043 22 residues pruned to eliminate duplicates Z: 24 12.892 1.700 0.859 0.402 0.826 0.609 CB 1.142 24 residues pruned to eliminate duplicates Z: 22 7.485 1.514 0.547 0.322 0.762 0.429 CB 1.113 Z: 6 9.352 1.414 0.809 0.874 1.000 0.800 CA 1.190 Z: 7 8.094 1.795 0.035 0.903 1.000 1.000 CB 1.268 7 residues pruned to eliminate duplicates Z: 6 2.197 1.387 -0.185 0.489 0.800 0.600 CB 1.098 Z: 9 7.832 1.791 0.298 0.653 0.875 0.875 CB 1.181 9 residues pruned to eliminate duplicates Z: 8 9.666 1.710 0.533 0.634 1.000 0.571 CB 1.230 8 1.583 1.309 0.386 0.221 0.571 0.286 CB 0.801 ? Z: 16 11.906 1.676 0.809 0.546 0.933 0.800 CB 1.039 18 residues pruned to eliminate duplicates Z: 9 3.601 1.537 -0.123 0.422 0.875 0.750 N 1.170 Z: 8 3.254 1.216 1.055 0.208 0.857 0.714 CB 0.811 Z: 30 14.852 1.637 0.436 0.563 0.931 0.621 CB 1.186 30 residues pruned to eliminate duplicates Z: 8 7.074 1.619 0.496 0.418 1.000 1.000 CB 1.202 8 residues pruned to eliminate duplicates Z: 16 18.895 1.867 0.344 0.905 1.000 0.800 CB 1.383 16 residues pruned to eliminate duplicates Z: 7 4.967 1.449 0.549 0.512 0.833 0.333 N 1.071 Z: 9 4.538 1.602 0.598 0.383 0.750 0.375 CB 0.947 Z: 14 10.152 1.628 0.664 0.621 0.846 0.692 CB 1.095 Z: 12 7.444 1.558 0.458 0.570 0.818 0.545 CB 1.129 12 residues pruned to eliminate duplicates Z: 13 22.078 1.981 0.600 0.919 1.000 0.917 CB 1.417 13 residues pruned to eliminate duplicates Z: 16 7.408 1.585 0.264 0.404 0.867 0.333 CB 1.219 7 residues pruned to eliminate duplicates Z: 8 2.573 1.385 0.002 0.327 0.857 0.571 CB 0.989 Z: 15 10.131 1.688 0.680 0.572 0.786 0.571 CB 1.133 17 residues pruned to eliminate duplicates Z: 12 3.394 1.579 -0.025 0.565 0.909 0.364 CB 0.687 6 residues pruned to eliminate duplicates Z: 7 4.674 1.386 0.614 0.439 1.000 0.333 N 0.909 Z: 8 3.667 1.636 0.734 0.443 0.857 0.714 CB 0.604 Z: 33 22.426 1.849 0.594 0.610 0.906 0.750 CB 1.337 33 residues pruned to eliminate duplicates Z: 20 19.274 1.888 0.515 0.626 0.895 0.789 CB 1.534 20 residues pruned to eliminate duplicates Z: 11 8.836 1.716 0.759 0.485 0.900 0.700 CB 1.044 11 residues pruned to eliminate duplicates Z: 15 13.138 1.582 0.634 0.824 1.000 0.714 CB 1.026 15 residues pruned to eliminate duplicates Z: 7 11.297 1.536 1.099 0.742 1.000 0.500 N 1.152 7 residues pruned to eliminate duplicates Z: 13 15.518 1.640 0.778 0.860 0.917 0.750 CB 1.233 13 residues pruned to eliminate duplicates Z: 11 5.852 1.634 0.354 0.510 0.900 0.600 CB 0.920 9 residues pruned to eliminate duplicates Z: 16 19.030 1.776 0.942 0.637 0.933 0.667 CB 1.342 16 residues pruned to eliminate duplicates Z: 17 22.330 1.753 0.814 0.811 0.938 0.812 CB 1.428 24 residues pruned to eliminate duplicates Z: 7 7.144 1.465 0.530 0.671 1.000 1.000 O 1.111 Z: 12 5.242 1.577 0.526 0.441 0.727 0.455 CB 0.960 12 residues pruned to eliminate duplicates Z: 14 16.352 1.783 0.545 0.910 1.000 0.769 CB 1.167 14 residues pruned to eliminate duplicates Z: 14 11.675 1.768 0.354 0.746 0.923 0.846 CA 1.176 14 residues pruned to eliminate duplicates Z: 6 3.198 1.479 0.138 0.488 0.800 0.600 N 1.075 6 residues pruned to eliminate duplicates Z: 15 15.959 1.626 0.774 0.753 1.000 0.500 CB 1.180 15 residues pruned to eliminate duplicates Z: 8 2.852 1.593 0.534 0.209 0.714 0.571 CB 0.870 Z: 9 11.186 1.730 0.484 0.808 0.875 0.625 CB 1.346 9 residues pruned to eliminate duplicates Z: 7 7.980 1.466 0.639 0.854 0.833 0.833 CA 1.201 7 residues pruned to eliminate duplicates Z: 34 25.063 1.831 0.742 0.585 0.939 0.667 CB 1.342 34 residues pruned to eliminate duplicates Z: 13 6.344 1.510 0.353 0.484 0.833 0.750 CB 1.094 Z: 6 2.269 1.374 0.189 0.291 0.800 0.600 CA 0.982 Z: 7 4.596 1.554 0.604 0.355 0.833 0.667 N 1.056 Z: 8 2.663 1.307 0.304 0.340 0.714 0.571 N 0.985 Z: 30 19.910 1.723 0.601 0.544 0.966 0.655 CB 1.329 30 residues pruned to eliminate duplicates Z: 6 8.284 1.751 0.978 0.482 0.800 0.800 CB 1.361 5 residues pruned to eliminate duplicates 6 1.953 1.475 -0.018 0.240 0.800 0.600 N 1.019 ? Z: 10 8.568 1.661 0.573 0.477 0.889 0.556 CB 1.258 Z: 7 6.997 1.467 1.171 0.588 1.000 0.333 CB 0.825 7 residues pruned to eliminate duplicates Z: 35 25.674 1.838 0.746 0.633 0.971 0.794 CB 1.247 35 residues pruned to eliminate duplicates Z: 8 4.199 1.246 0.625 0.459 0.857 0.571 O 0.954 Z: 19 8.435 1.532 0.481 0.500 0.889 0.500 CB 0.986 9 residues pruned to eliminate duplicates Z: 9 2.084 1.630 0.250 0.341 0.625 0.375 CB 0.688 Z: 12 14.315 1.696 0.599 0.867 1.000 0.818 CB 1.164 12 residues pruned to eliminate duplicates Z: 10 9.445 1.578 0.729 0.792 1.000 0.667 CB 0.893 10 residues pruned to eliminate duplicates Z: 9 3.756 1.523 0.581 0.379 0.875 0.750 CB 0.717 Z: 8 4.547 1.576 1.136 0.545 0.571 0.571 CA 0.855 7 residues pruned to eliminate duplicates Z: 11 7.457 1.844 0.547 0.585 0.800 0.700 CB 0.953 11 residues pruned to eliminate duplicates Z: 6 9.761 1.660 0.608 0.801 1.000 0.600 CB 1.257 6 residues pruned to eliminate duplicates Z: 15 6.989 1.592 0.420 0.398 0.786 0.429 CB 1.171 15 residues pruned to eliminate duplicates Z: 13 11.336 1.504 0.802 0.844 0.833 0.500 CB 1.077 13 residues pruned to eliminate duplicates Z: 6 5.540 1.584 0.413 0.794 1.000 0.800 CB 0.856 6 residues pruned to eliminate duplicates Z: 9 11.593 1.646 0.628 0.848 1.000 0.875 CB 1.134 8 residues pruned to eliminate duplicates Z: 11 8.835 1.440 0.538 0.918 0.900 0.500 CB 0.988 6 1.298 1.342 0.656 0.100 0.400 0.200 C 1.088 ? Z: 13 15.030 1.674 0.728 0.905 1.000 0.917 CB 1.068 13 residues pruned to eliminate duplicates Z: 15 7.726 1.627 0.614 0.392 0.714 0.429 CB 1.234 14 residues pruned to eliminate duplicates Z: 8 5.227 1.501 0.859 0.400 0.857 0.714 CB 0.917 7 residues pruned to eliminate duplicates Z: 7 4.922 1.741 0.002 0.409 1.000 0.667 CB 1.268 Z: 7 4.974 1.484 0.251 0.625 0.833 0.500 CB 1.167 Z: 45 21.479 1.830 0.613 0.511 0.909 0.591 CB 1.193 45 residues pruned to eliminate duplicates Z: 16 17.008 1.617 0.496 0.866 1.000 0.733 CB 1.329 16 residues pruned to eliminate duplicates Z: 19 15.164 1.808 0.703 0.407 0.944 0.611 CB 1.356 19 residues pruned to eliminate duplicates Z: 14 18.186 1.829 0.587 0.718 1.000 0.769 CB 1.427 14 residues pruned to eliminate duplicates Z: 7 2.458 1.531 -0.228 0.509 0.833 0.500 CB 1.010 Z: 10 5.325 1.338 0.481 0.783 1.000 0.778 CB 0.698 Z: 19 12.344 1.770 0.395 0.584 0.889 0.667 CB 1.223 19 residues pruned to eliminate duplicates Z: 12 12.085 1.601 0.848 0.838 1.000 0.455 CB 0.920 12 residues pruned to eliminate duplicates Z: 6 2.268 1.320 0.812 0.414 0.600 0.200 N 0.773 6 residues pruned to eliminate duplicates Z: 9 7.402 1.461 0.836 0.739 0.875 0.750 CB 0.900 9 residues pruned to eliminate duplicates Z: 6 7.547 1.644 1.283 0.667 0.800 0.600 CB 0.964 Z: 7 2.198 1.228 0.494 0.325 0.667 0.500 CB 0.889 Z: 11 16.749 1.793 1.089 0.641 1.000 0.800 CA 1.240 11 residues pruned to eliminate duplicates Z: 36 22.396 1.864 0.492 0.566 0.943 0.714 CB 1.354 36 residues pruned to eliminate duplicates Z: 6 3.285 1.267 0.840 0.721 1.000 1.000 CB 0.516 Z: 7 9.469 1.637 0.564 0.760 0.833 0.833 CA 1.438 7 residues pruned to eliminate duplicates Z: 14 10.155 1.731 0.500 0.476 0.846 0.538 CB 1.314 14 residues pruned to eliminate duplicates Z: 10 14.758 1.700 0.769 0.842 1.000 0.778 CB 1.219 10 residues pruned to eliminate duplicates Z: 11 14.945 1.875 0.644 0.856 1.000 1.000 CB 1.131 11 residues pruned to eliminate duplicates Z: 12 6.152 1.674 0.659 0.328 0.818 0.364 CB 0.986 Z: 7 9.406 1.551 0.533 0.823 1.000 1.000 CB 1.221 8 residues pruned to eliminate duplicates 6 1.698 1.447 0.283 0.271 0.600 0.600 CB 0.884 ? Z: 6 10.340 1.787 1.408 0.887 1.000 1.000 CB 0.775 Z: 6 3.418 1.593 -0.367 0.853 1.000 1.000 CB 1.121 Z: 6 4.767 1.380 0.796 0.601 1.000 0.400 CB 0.781 6 residues pruned to eliminate duplicates Z: 42 24.722 1.824 0.584 0.571 0.902 0.610 CB 1.382 42 residues pruned to eliminate duplicates Z: 16 7.789 1.468 0.642 0.517 0.867 0.533 CB 0.947 15 residues pruned to eliminate duplicates Z: 23 21.202 1.711 0.790 0.698 1.000 0.773 CB 1.233 21 residues pruned to eliminate duplicates Z: 49 24.246 1.805 0.713 0.563 0.938 0.688 CB 1.136 57 residues pruned to eliminate duplicates Z: 13 14.729 1.672 0.667 0.885 0.917 0.833 CB 1.202 13 residues pruned to eliminate duplicates Z: 14 6.338 1.472 0.373 0.431 0.923 0.462 CB 1.012 Z: 17 17.308 1.739 0.593 0.855 1.000 0.875 CB 1.153 17 residues pruned to eliminate duplicates Z: 10 10.591 1.512 0.549 0.873 1.000 0.778 CB 1.098 10 residues pruned to eliminate duplicates Z: 11 6.003 1.488 0.857 0.650 0.800 0.600 CB 0.747 11 residues pruned to eliminate duplicates Z: 11 4.819 1.543 0.291 0.434 0.700 0.600 O 1.171 11 residues pruned to eliminate duplicates Z: 6 2.244 1.390 0.598 0.372 0.600 0.200 CB 0.864 Z: 17 8.152 1.611 0.378 0.422 0.875 0.625 CB 1.138 17 residues pruned to eliminate duplicates Z: 8 8.287 1.521 0.642 0.739 1.000 0.857 CB 1.013 8 residues pruned to eliminate duplicates Z: 6 3.281 1.710 0.311 0.678 1.000 0.800 CB 0.556 Z: 14 7.189 1.607 0.656 0.379 0.769 0.462 CB 1.108 Z: 22 12.352 1.604 0.495 0.579 0.952 0.619 CB 1.094 22 residues pruned to eliminate duplicates Z: 10 2.737 1.378 0.496 0.421 0.889 0.556 CB 0.541 5 residues pruned to eliminate duplicates Z: 8 3.422 1.628 -0.010 0.422 0.857 0.714 CB 1.015 4 residues pruned to eliminate duplicates Z: 11 7.076 1.486 0.749 0.402 0.900 0.400 CB 1.061 10 residues pruned to eliminate duplicates Z: 8 2.239 1.396 1.016 0.342 0.571 0.429 CA 0.625 8 residues pruned to eliminate duplicates Z: 11 4.820 1.479 0.547 0.335 0.800 0.600 N 0.997 Z: 7 3.684 1.677 0.277 0.637 0.500 0.500 CB 1.235 7 residues pruned to eliminate duplicates Z: 6 6.283 1.491 0.909 0.771 0.800 0.600 O 0.971 6 residues pruned to eliminate duplicates Z: 7 4.947 1.320 0.565 0.751 0.833 0.333 CB 0.938 Z: 13 12.535 1.715 0.571 0.586 1.000 0.417 CB 1.237 13 residues pruned to eliminate duplicates Z: 7 2.169 1.492 0.893 0.333 0.833 0.167 CB 0.452 7 residues pruned to eliminate duplicates Z: 15 18.015 1.858 0.956 0.900 0.857 0.643 CB 1.104 15 residues pruned to eliminate duplicates Z: 8 4.051 1.466 0.485 0.297 0.857 0.143 CB 1.029 Z: 10 15.995 1.532 1.266 0.858 1.000 0.444 CA 1.131 Z: 7 4.067 1.461 0.431 0.544 0.833 0.500 CB 0.913 5 residues pruned to eliminate duplicates Z: 6 2.087 1.407 0.491 0.412 0.800 0.400 CB 0.610 Z: 9 6.540 1.791 0.860 0.917 1.000 1.000 CB 0.490 Z: 9 6.499 1.637 0.406 0.420 0.875 0.500 CA 1.239 9 residues pruned to eliminate duplicates Z: 8 8.471 1.444 0.854 0.732 0.857 0.286 CA 1.132 Z: 8 7.592 1.825 0.336 0.551 1.000 0.857 CB 1.119 8 residues pruned to eliminate duplicates Z: 24 14.300 1.798 0.645 0.406 0.913 0.478 CB 1.218 33 residues pruned to eliminate duplicates Z: 28 16.653 1.662 0.523 0.642 0.926 0.815 CB 1.198 28 residues pruned to eliminate duplicates Z: 6 3.511 1.438 0.556 0.448 0.800 0.600 CB 0.925 10 1.895 1.270 0.137 0.205 0.667 0.556 CB 0.931 ? Z: 10 6.795 1.397 1.265 0.268 0.889 0.556 CA 1.048 8 residues pruned to eliminate duplicates Z: 6 3.211 1.302 0.379 0.653 0.800 0.600 N 0.867 6 1.813 1.263 0.502 0.112 1.000 0.400 N 0.698 ? Z: 19 14.197 1.653 0.549 0.600 1.000 0.833 CB 1.187 18 residues pruned to eliminate duplicates Z: 16 10.045 1.746 0.888 0.366 1.000 0.533 CB 0.909 16 residues pruned to eliminate duplicates Z: 6 3.299 1.296 0.863 0.659 0.600 0.400 CB 0.879 Z: 9 5.820 1.553 0.239 0.437 1.000 0.625 CB 1.142 Z: 11 3.902 1.521 0.429 0.427 0.700 0.500 CB 0.875 11 residues pruned to eliminate duplicates Z: 7 13.279 1.626 1.012 0.860 0.833 0.667 CB 1.462 7 residues pruned to eliminate duplicates Z: 8 6.728 1.585 0.374 0.678 1.000 0.857 CA 0.992 8 residues pruned to eliminate duplicates Z: 13 5.364 1.531 0.246 0.422 0.833 0.500 CB 1.056 8 residues pruned to eliminate duplicates Z: 10 8.554 1.639 0.930 0.417 0.778 0.556 CB 1.264 10 residues pruned to eliminate duplicates Z: 11 10.944 1.581 0.707 0.688 1.000 0.800 CA 1.079 11 residues pruned to eliminate duplicates 6 1.420 1.146 0.082 0.477 0.800 0.600 N 0.656 ? Z: 8 8.461 1.695 0.586 0.831 1.000 0.429 CB 0.894 8 residues pruned to eliminate duplicates Z: 8 6.153 1.437 0.844 0.540 1.000 0.714 CA 0.844 Z: 8 4.885 1.142 0.798 0.732 0.857 0.571 O 0.852 Z: 13 9.536 1.753 0.575 0.428 0.917 0.500 CB 1.173 13 residues pruned to eliminate duplicates Z: 6 5.304 1.596 0.455 0.813 1.000 0.400 CB 0.778 6 residues pruned to eliminate duplicates Z: 22 9.611 1.505 0.512 0.446 0.905 0.524 CB 1.078 22 residues pruned to eliminate duplicates Z: 10 9.376 1.713 0.560 0.428 0.889 0.444 CA 1.417 10 residues pruned to eliminate duplicates Z: 12 9.954 1.752 0.492 0.544 0.909 0.636 CB 1.210 12 residues pruned to eliminate duplicates Z: 10 6.295 1.553 0.539 0.429 0.889 0.333 CB 1.063 Z: 6 6.494 1.741 0.546 0.608 0.800 0.600 CB 1.217 Z: 17 11.022 1.743 0.775 0.537 0.875 0.750 CB 0.982 17 residues pruned to eliminate duplicates Z: 6 4.256 1.238 0.999 0.557 0.800 0.600 N 0.909 Z: 9 8.509 1.628 0.486 0.594 1.000 0.875 CA 1.137 Z: 14 13.264 1.619 0.555 0.827 1.000 0.615 CB 1.102 14 residues pruned to eliminate duplicates Z: 13 13.786 1.682 0.585 0.757 1.000 0.833 CB 1.187 13 residues pruned to eliminate duplicates Z: 8 10.027 1.517 0.997 0.802 0.857 0.571 N 1.121 8 residues pruned to eliminate duplicates Z: 7 7.016 1.715 0.748 0.475 0.833 0.667 CB 1.177 7 residues pruned to eliminate duplicates Z: 6 2.201 1.333 0.314 0.436 0.600 0.400 CB 1.001 Z: 13 9.776 1.582 0.476 0.800 1.000 0.833 CB 0.930 13 residues pruned to eliminate duplicates Z: 21 11.466 1.653 0.574 0.479 0.850 0.600 CB 1.184 21 residues pruned to eliminate duplicates Z: 34 13.109 1.687 0.697 0.538 0.818 0.455 CB 0.938 34 residues pruned to eliminate duplicates Z: 8 6.879 1.532 0.562 0.686 0.857 0.429 N 1.069 9 residues pruned to eliminate duplicates Z: 17 8.773 1.726 0.733 0.291 0.875 0.375 CB 1.060 17 residues pruned to eliminate duplicates 6 1.520 1.253 0.224 0.347 0.600 0.600 N 0.872 ? Z: 8 15.307 1.696 0.731 0.875 1.000 1.000 CA 1.434 8 residues pruned to eliminate duplicates Z: 14 12.244 1.908 0.687 0.339 0.846 0.615 CB 1.485 14 residues pruned to eliminate duplicates Z: 7 3.230 1.524 0.640 0.383 0.667 0.500 N 0.896 7 residues pruned to eliminate duplicates Z: 14 19.923 1.652 0.990 0.940 1.000 0.923 CB 1.168 14 residues pruned to eliminate duplicates Z: 11 14.609 1.732 0.609 0.864 0.900 0.700 CB 1.351 37 residues pruned to eliminate duplicates Z: 6 11.704 1.778 0.588 0.849 1.000 0.600 CB 1.375 6 residues pruned to eliminate duplicates Z: 18 11.918 1.766 0.432 0.523 0.882 0.588 CB 1.267 18 residues pruned to eliminate duplicates Z: 10 12.443 1.729 0.532 0.832 1.000 0.667 CB 1.175 11 residues pruned to eliminate duplicates Z: 35 25.073 1.866 0.625 0.601 0.971 0.647 CB 1.328 35 residues pruned to eliminate duplicates Z: 14 19.342 1.616 0.917 0.875 1.000 0.846 CB 1.259 14 residues pruned to eliminate duplicates Z: 7 5.399 1.370 0.645 0.507 1.000 1.000 CB 0.971 Z: 26 9.126 1.531 0.537 0.419 0.880 0.560 CB 0.960 19 residues pruned to eliminate duplicates Z: 43 22.616 1.706 0.532 0.535 0.952 0.619 CB 1.355 43 residues pruned to eliminate duplicates Z: 8 4.303 1.458 0.321 0.401 0.857 0.429 CB 1.093 Z: 27 6.730 1.474 0.487 0.304 0.808 0.500 CB 0.927 9 residues pruned to eliminate duplicates Z: 32 17.047 1.628 0.686 0.599 0.935 0.677 CB 1.085 32 residues pruned to eliminate duplicates Z: 11 3.301 1.249 0.821 0.205 0.600 0.300 N 1.085 11 residues pruned to eliminate duplicates Z: 19 12.772 1.570 0.766 0.518 1.000 0.611 CB 1.067 25 residues pruned to eliminate duplicates Z: 49 24.884 1.759 0.607 0.536 0.875 0.583 CB 1.402 55 residues pruned to eliminate duplicates Z: 15 5.946 1.417 0.675 0.424 0.857 0.571 CB 0.845 Z: 7 6.820 1.337 0.920 0.850 0.833 0.667 CB 0.964 Z: 23 8.508 1.609 0.669 0.315 0.773 0.409 CB 1.072 23 residues pruned to eliminate duplicates Z: 8 3.814 1.784 0.221 0.298 0.857 0.571 CB 0.968 Z: 14 6.408 1.654 0.874 0.372 0.846 0.538 CB 0.777 14 residues pruned to eliminate duplicates Z: 7 5.341 1.348 0.520 0.733 0.833 0.667 C 1.036 Z: 8 8.894 1.891 0.852 0.433 0.857 0.714 CB 1.200 8 residues pruned to eliminate duplicates 6 1.640 1.505 -0.135 0.370 0.600 0.400 C 1.080 ? Z: 8 4.560 1.300 0.047 0.729 1.000 0.714 O 1.030 Z: 9 4.027 1.413 0.695 0.292 0.750 0.250 N 1.001 Z: 18 19.756 1.864 0.593 0.751 0.941 0.588 CB 1.370 18 residues pruned to eliminate duplicates Z: 15 6.082 1.664 0.676 0.227 0.786 0.643 CB 1.020 15 residues pruned to eliminate duplicates Z: 9 14.290 1.744 1.027 0.863 1.000 0.875 CB 1.048 9 residues pruned to eliminate duplicates Z: 10 3.432 1.404 0.481 0.373 0.778 0.556 CB 0.811 Z: 25 12.614 1.799 0.653 0.577 0.792 0.625 CB 1.016 25 residues pruned to eliminate duplicates Z: 6 2.669 1.476 0.515 0.284 0.800 0.600 CB 0.851 Z: 7 2.416 1.582 0.793 0.766 0.833 0.833 CB 0.330 Z: 33 14.928 1.791 0.468 0.522 0.812 0.625 CB 1.209 33 residues pruned to eliminate duplicates Z: 9 7.033 1.515 0.883 0.539 0.875 0.875 CB 0.958 9 residues pruned to eliminate duplicates Z: 6 3.358 1.311 0.404 0.609 0.800 0.800 CB 0.920 Z: 6 6.789 1.659 0.610 0.664 1.000 0.600 CB 0.977 6 residues pruned to eliminate duplicates Z: 7 4.341 1.402 0.592 0.410 0.833 0.500 N 1.047 Z: 10 14.908 2.021 0.782 0.849 0.889 0.889 CB 1.151 10 residues pruned to eliminate duplicates 6 0.719 1.510 0.273 0.395 0.600 0.400 CB 0.312 ? Z: 15 4.561 1.534 0.189 0.271 0.857 0.357 CB 1.012 11 residues pruned to eliminate duplicates Z: 7 5.259 1.352 0.778 0.694 0.833 0.500 CB 0.898 7 residues pruned to eliminate duplicates Z: 39 21.229 1.806 0.587 0.520 0.921 0.737 CB 1.280 39 residues pruned to eliminate duplicates Z: 7 3.207 1.476 0.413 0.437 0.833 0.667 CB 0.803 Z: 7 2.879 1.414 0.797 0.428 0.667 0.500 CB 0.748 Z: 11 4.441 1.278 0.876 0.271 0.700 0.600 CB 1.087 8 1.420 1.369 0.540 0.441 0.714 0.714 CB 0.379 ? Z: 7 7.968 1.452 0.906 0.782 1.000 1.000 N 0.917 6 residues pruned to eliminate duplicates Z: 19 5.318 1.416 0.482 0.328 0.889 0.444 CB 0.812 13 residues pruned to eliminate duplicates 7 1.970 1.398 0.200 0.346 0.667 0.500 CB 0.850 ? Z: 22 21.877 1.739 0.964 0.573 1.000 0.571 CB 1.302 22 residues pruned to eliminate duplicates Z: 8 3.627 1.190 0.413 0.454 0.857 0.714 CA 0.996 916 residues left after pruning, divided into chains as follows: A: 14 B: 12 C: 53 D: 23 E: 124 F: 9 G: 8 H: 21 I: 16 J: 33 K: 8 L: 42 M: 30 N: 51 O: 12 P: 13 Q: 18 R: 35 S: 6 T: 20 U: 11 V: 10 W: 14 X: 12 Y: 55 Z: 14 Z: 6 Z: 76 Z: 6 Z: 16 Z: 27 Z: 16 Z: 14 Z: 7 Z: 8 Z: 17 Z: 9 Z: 8 Z: 20 Z: 22 CC for partial structure against native data = 33.49 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.431, Connect. = 0.666 for dens.mod. cycle 1 = 0.300, Contrast = 0.510, Connect. = 0.695 for dens.mod. cycle 2 = 0.300, Contrast = 0.615, Connect. = 0.726 for dens.mod. cycle 3 = 0.300, Contrast = 0.635, Connect. = 0.729 for dens.mod. cycle 4 = 0.300, Contrast = 0.651, Connect. = 0.733 for dens.mod. cycle 5 = 0.300, Contrast = 0.658, Connect. = 0.735 for dens.mod. cycle 6 = 0.300, Contrast = 0.664, Connect. = 0.737 for dens.mod. cycle 7 = 0.300, Contrast = 0.667, Connect. = 0.739 for dens.mod. cycle 8 = 0.300, Contrast = 0.669, Connect. = 0.740 for dens.mod. cycle 9 = 0.300, Contrast = 0.670, Connect. = 0.741 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3875 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1123 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 19.039 1.891 0.777 0.904 0.929 0.643 CB 1.162 B: 9 13.195 1.625 0.721 0.772 1.000 0.875 CB 1.311 C: 13 28.555 2.058 1.057 0.884 1.000 0.750 CB 1.408 D: 8 11.350 2.053 0.529 0.449 1.000 0.571 CB 1.440 E: 14 22.383 1.968 0.799 0.733 1.000 0.615 CB 1.422 14 residues pruned to eliminate duplicates F: 13 17.841 1.942 0.230 0.845 1.000 0.833 CB 1.602 G: 15 30.563 1.996 1.258 0.862 0.929 0.786 CB 1.433 14 residues pruned to eliminate duplicates H: 12 26.566 2.084 0.902 0.926 1.000 0.909 CB 1.417 12 residues pruned to eliminate duplicates I: 14 18.209 1.952 0.484 0.895 0.923 0.769 CB 1.354 13 residues pruned to eliminate duplicates J: 14 16.914 1.790 0.794 0.874 1.000 0.846 CB 1.063 K: 15 27.103 1.936 0.914 0.837 1.000 0.643 CB 1.463 13 residues pruned to eliminate duplicates L: 15 16.884 2.063 0.725 0.565 0.929 0.500 CB 1.283 M: 16 20.242 1.901 0.466 0.772 0.933 0.600 CB 1.580 12 residues pruned to eliminate duplicates N: 8 6.359 1.586 0.698 0.558 0.857 0.429 CB 0.984 O: 16 17.135 1.855 0.611 0.854 1.000 0.800 CB 1.094 P: 12 13.548 1.927 0.047 0.915 1.000 0.909 CB 1.430 12 residues pruned to eliminate duplicates Q: 12 14.618 2.006 0.411 0.803 1.000 0.727 CB 1.195 11 residues pruned to eliminate duplicates R: 9 8.085 1.802 0.058 0.761 1.000 0.875 CB 1.189 S: 14 22.802 2.087 1.007 0.821 0.923 0.692 CB 1.239 14 residues pruned to eliminate duplicates T: 16 19.143 1.901 0.615 0.874 1.000 0.867 CB 1.172 17 residues pruned to eliminate duplicates U: 14 17.504 1.955 0.874 0.876 0.846 0.846 CB 1.138 14 residues pruned to eliminate duplicates V: 34 20.224 1.931 0.507 0.478 0.879 0.545 CB 1.409 W: 32 16.320 1.948 0.233 0.536 0.935 0.548 CB 1.259 17 residues pruned to eliminate duplicates X: 48 26.054 1.899 0.554 0.617 0.957 0.638 CB 1.204 Y: 11 9.912 1.476 0.455 0.680 1.000 0.500 CB 1.237 Z: 16 12.592 1.757 0.260 0.902 1.000 0.733 CB 1.047 Z: 40 20.201 1.902 0.459 0.495 0.846 0.641 CB 1.383 29 residues pruned to eliminate duplicates Z: 7 4.503 1.833 0.746 0.249 0.833 0.500 CB 0.921 Z: 14 20.152 1.856 0.669 0.886 1.000 0.846 CB 1.302 14 residues pruned to eliminate duplicates Z: 7 15.527 1.942 0.834 0.564 1.000 0.833 CA 1.673 Z: 8 7.186 1.896 0.634 0.409 0.857 0.571 CB 1.125 8 residues pruned to eliminate duplicates Z: 16 21.601 1.846 0.799 0.875 1.000 0.733 CB 1.221 Z: 20 19.438 1.877 0.506 0.529 1.000 0.737 CB 1.533 20 residues pruned to eliminate duplicates Z: 7 8.691 1.780 1.148 0.689 0.667 0.500 CA 1.172 6 residues pruned to eliminate duplicates Z: 43 19.467 1.869 0.609 0.478 0.881 0.619 CB 1.159 41 residues pruned to eliminate duplicates Z: 16 22.470 1.854 0.925 0.886 0.933 0.933 CB 1.258 16 residues pruned to eliminate duplicates Z: 9 11.098 1.627 0.934 0.740 0.875 0.750 CB 1.149 10 residues pruned to eliminate duplicates Z: 13 18.611 1.925 0.680 0.827 1.000 0.833 CB 1.251 13 residues pruned to eliminate duplicates Z: 28 11.426 1.805 0.561 0.440 0.815 0.519 CB 1.019 Z: 7 8.313 1.716 0.517 0.726 1.000 0.667 CB 1.063 Z: 15 16.054 1.939 0.696 0.798 0.929 0.643 CB 1.082 15 residues pruned to eliminate duplicates Z: 34 23.694 1.956 0.463 0.619 0.970 0.727 CB 1.328 32 residues pruned to eliminate duplicates Z: 17 19.759 1.773 0.600 0.797 0.938 0.875 CB 1.432 Z: 15 13.265 1.834 0.190 0.904 1.000 0.786 CB 1.158 14 residues pruned to eliminate duplicates Z: 12 11.300 1.707 0.723 0.732 1.000 0.818 CB 0.941 Z: 18 22.365 1.833 0.720 0.810 1.000 0.647 CA 1.313 Z: 9 12.938 1.713 0.787 0.733 1.000 0.500 CB 1.212 Z: 13 12.469 1.765 0.397 0.839 1.000 0.667 CB 1.090 Z: 17 24.013 1.797 0.755 0.780 0.938 0.625 CB 1.586 17 residues pruned to eliminate duplicates Z: 15 21.237 1.714 0.954 0.885 0.929 0.857 CB 1.318 14 residues pruned to eliminate duplicates Z: 19 18.587 2.001 0.509 0.468 0.944 0.611 CB 1.587 19 residues pruned to eliminate duplicates Z: 16 17.010 1.882 0.546 0.803 0.933 0.800 CB 1.241 10 residues pruned to eliminate duplicates Z: 12 25.609 2.006 1.087 0.903 1.000 0.909 CB 1.315 12 residues pruned to eliminate duplicates Z: 6 8.378 1.628 0.302 0.717 1.000 0.800 N 1.451 6 residues pruned to eliminate duplicates Z: 15 21.515 1.972 0.517 0.834 1.000 0.857 CB 1.441 15 residues pruned to eliminate duplicates Z: 6 5.790 1.656 0.381 0.714 0.800 0.800 CB 1.166 5 residues pruned to eliminate duplicates Z: 11 19.296 2.050 0.509 0.918 1.000 0.900 CB 1.391 11 residues pruned to eliminate duplicates Z: 15 23.413 1.979 0.632 0.792 1.000 0.857 CB 1.499 15 residues pruned to eliminate duplicates Z: 15 13.148 1.790 0.902 0.570 0.929 0.500 CB 1.039 Z: 9 9.208 1.563 0.380 0.707 1.000 0.625 N 1.250 9 residues pruned to eliminate duplicates Z: 7 10.701 1.846 1.039 0.650 0.833 0.667 CB 1.212 Z: 32 19.073 1.863 0.527 0.557 0.871 0.484 CB 1.308 32 residues pruned to eliminate duplicates Z: 12 8.173 1.753 0.126 0.537 0.909 0.727 CB 1.325 Z: 10 13.348 1.977 0.661 0.567 0.889 0.667 CA 1.429 10 residues pruned to eliminate duplicates Z: 11 11.939 1.949 0.329 0.526 1.000 0.700 CB 1.420 8 residues pruned to eliminate duplicates Z: 16 24.029 2.094 1.049 0.570 0.933 0.533 CB 1.448 15 residues pruned to eliminate duplicates Z: 15 20.742 1.964 0.628 0.887 0.929 0.857 CB 1.346 15 residues pruned to eliminate duplicates Z: 72 25.117 1.830 0.718 0.426 0.873 0.535 CB 1.173 62 residues pruned to eliminate duplicates Z: 12 18.099 1.895 0.659 0.870 1.000 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 8 10.675 1.829 0.252 0.890 1.000 1.000 CB 1.267 8 residues pruned to eliminate duplicates Z: 13 12.372 1.841 0.747 0.548 0.833 0.750 CB 1.272 8 residues pruned to eliminate duplicates Z: 15 23.791 1.953 0.931 0.784 0.929 0.571 CB 1.414 15 residues pruned to eliminate duplicates Z: 15 21.590 1.995 0.662 0.893 0.929 0.857 CB 1.347 16 residues pruned to eliminate duplicates Z: 12 10.719 1.665 0.597 0.717 0.909 0.636 CB 1.099 Z: 18 14.883 1.806 0.631 0.852 0.882 0.647 CB 1.027 18 residues pruned to eliminate duplicates Z: 28 18.550 1.875 0.686 0.512 0.889 0.481 CB 1.255 28 residues pruned to eliminate duplicates Z: 7 4.416 1.979 0.424 0.851 1.000 1.000 CB 0.474 7 residues pruned to eliminate duplicates Z: 6 2.725 1.472 0.459 0.358 0.600 0.400 CB 1.102 Z: 9 12.970 1.847 0.911 0.628 0.875 0.750 CB 1.317 Z: 7 4.583 1.632 0.217 0.595 1.000 0.667 CB 0.861 Z: 13 7.976 1.719 0.592 0.384 0.917 0.667 CB 1.039 13 residues pruned to eliminate duplicates Z: 16 21.738 1.845 0.723 0.878 1.000 0.867 CB 1.281 16 residues pruned to eliminate duplicates Z: 24 21.267 1.992 0.902 0.533 0.870 0.348 CB 1.302 24 residues pruned to eliminate duplicates Z: 16 12.722 1.774 0.641 0.882 0.867 0.533 CB 0.942 16 residues pruned to eliminate duplicates Z: 13 14.586 1.702 0.520 0.880 1.000 0.833 CB 1.179 Z: 10 13.099 1.906 0.507 0.541 1.000 0.556 CB 1.461 10 residues pruned to eliminate duplicates Z: 52 22.591 1.894 0.584 0.480 0.863 0.569 CB 1.247 45 residues pruned to eliminate duplicates Z: 6 3.850 1.285 0.121 0.724 1.000 0.600 N 0.976 6 residues pruned to eliminate duplicates Z: 17 14.146 1.864 0.458 0.424 0.938 0.438 CB 1.503 17 residues pruned to eliminate duplicates Z: 46 24.047 1.923 0.594 0.528 0.933 0.667 CB 1.219 46 residues pruned to eliminate duplicates Z: 17 19.879 1.789 0.710 0.823 0.812 0.562 CB 1.511 17 residues pruned to eliminate duplicates Z: 10 5.641 1.914 0.041 0.573 0.889 0.778 CB 0.989 Z: 12 8.790 1.634 0.745 0.887 0.909 0.545 CB 0.737 12 residues pruned to eliminate duplicates Z: 18 13.622 1.807 0.465 0.456 0.941 0.647 CB 1.387 Z: 16 11.242 1.791 0.705 0.553 1.000 0.733 CB 0.903 Z: 17 25.514 1.802 0.634 0.859 1.000 0.750 CB 1.593 18 residues pruned to eliminate duplicates Z: 8 3.596 1.737 0.778 0.340 0.857 0.714 CB 0.611 8 residues pruned to eliminate duplicates Z: 8 13.760 1.582 0.802 0.818 1.000 0.571 N 1.384 11 residues pruned to eliminate duplicates Z: 12 9.650 1.838 0.945 0.398 0.727 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 45 22.410 1.868 0.454 0.555 0.909 0.591 CB 1.297 45 residues pruned to eliminate duplicates Z: 10 9.425 1.668 0.600 0.697 0.889 0.667 CB 1.107 Z: 15 15.821 1.843 0.466 0.914 1.000 0.929 CB 1.107 16 residues pruned to eliminate duplicates Z: 45 17.869 1.836 0.375 0.512 0.909 0.591 CB 1.160 45 residues pruned to eliminate duplicates Z: 9 13.344 1.642 0.994 0.808 1.000 0.875 N 1.102 9 residues pruned to eliminate duplicates Z: 16 13.033 1.773 0.827 0.888 0.933 0.733 CB 0.802 16 residues pruned to eliminate duplicates Z: 16 16.474 1.904 0.508 0.853 0.800 0.467 CB 1.369 16 residues pruned to eliminate duplicates Z: 9 5.560 1.844 0.149 0.490 0.750 0.625 CB 1.250 Z: 15 8.593 1.739 0.384 0.832 0.929 0.786 CB 0.771 15 residues pruned to eliminate duplicates Z: 29 14.035 1.820 0.534 0.463 0.821 0.500 CB 1.202 29 residues pruned to eliminate duplicates Z: 15 16.518 1.893 0.699 0.729 0.929 0.571 CB 1.203 15 residues pruned to eliminate duplicates Z: 16 20.728 1.822 0.677 0.738 0.933 0.667 CB 1.516 16 residues pruned to eliminate duplicates Z: 16 16.582 1.829 0.465 0.896 0.933 0.933 CB 1.226 16 residues pruned to eliminate duplicates Z: 37 22.061 1.855 0.568 0.543 0.944 0.694 CB 1.283 37 residues pruned to eliminate duplicates Z: 20 12.288 1.692 0.998 0.479 0.789 0.632 CB 1.079 10 residues pruned to eliminate duplicates Z: 10 13.542 1.660 0.678 0.814 1.000 0.778 CB 1.233 Z: 12 14.306 1.786 0.686 0.901 0.909 0.909 CB 1.124 12 residues pruned to eliminate duplicates Z: 19 7.951 1.691 0.280 0.407 0.778 0.500 CB 1.227 Z: 8 11.726 1.625 0.486 0.779 1.000 0.714 N 1.435 9 residues pruned to eliminate duplicates Z: 8 6.425 1.739 0.777 0.480 0.571 0.429 O 1.403 8 residues pruned to eliminate duplicates Z: 11 2.834 1.499 0.504 0.125 0.600 0.300 CB 1.061 11 residues pruned to eliminate duplicates Z: 15 17.505 1.906 0.747 0.777 0.929 0.714 CB 1.185 15 residues pruned to eliminate duplicates Z: 47 26.032 1.888 0.617 0.552 0.957 0.652 CB 1.250 47 residues pruned to eliminate duplicates Z: 7 19.509 1.953 0.797 0.816 1.000 0.833 O 1.724 7 residues pruned to eliminate duplicates Z: 36 23.378 1.863 0.756 0.624 0.971 0.686 CB 1.106 36 residues pruned to eliminate duplicates Z: 7 4.259 1.711 0.168 0.462 0.833 0.667 CB 1.085 Z: 24 13.726 1.781 0.651 0.454 0.826 0.522 CB 1.235 27 residues pruned to eliminate duplicates Z: 7 11.173 1.675 0.908 0.859 1.000 0.833 CA 1.050 Z: 6 5.382 1.499 0.244 0.747 1.000 0.800 CB 1.035 Z: 9 5.135 1.787 0.259 0.697 1.000 0.500 CB 0.675 Z: 7 13.645 1.839 0.639 0.701 1.000 1.000 CB 1.538 7 residues pruned to eliminate duplicates Z: 13 14.108 1.799 0.604 0.834 1.000 0.417 CB 1.059 13 residues pruned to eliminate duplicates Z: 17 20.779 1.930 0.549 0.713 0.938 0.750 CB 1.529 17 residues pruned to eliminate duplicates Z: 15 7.627 1.657 0.327 0.379 0.786 0.500 N 1.343 15 residues pruned to eliminate duplicates Z: 14 17.937 1.908 0.932 0.827 0.846 0.615 CB 1.202 14 residues pruned to eliminate duplicates Z: 6 3.493 1.556 0.168 0.323 1.000 0.600 CB 1.044 Z: 13 14.428 1.878 0.371 0.811 0.917 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 7 4.791 1.798 0.278 0.374 0.667 0.500 CB 1.461 Z: 7 6.714 1.714 0.504 0.435 0.833 0.667 CB 1.365 Z: 39 22.038 1.882 0.534 0.536 0.895 0.658 CB 1.336 52 residues pruned to eliminate duplicates Z: 14 19.423 1.936 0.451 0.770 0.923 0.846 CB 1.636 14 residues pruned to eliminate duplicates Z: 7 2.662 1.510 0.228 0.250 0.833 0.500 CB 0.938 7 residues pruned to eliminate duplicates Z: 27 24.509 1.855 0.722 0.626 1.000 0.808 CB 1.336 22 residues pruned to eliminate duplicates Z: 7 10.027 1.844 1.086 0.664 0.833 0.833 CB 1.097 7 residues pruned to eliminate duplicates Z: 8 3.599 1.625 0.397 0.505 0.714 0.429 CB 0.834 Z: 16 16.129 1.867 0.573 0.783 0.933 0.733 CB 1.185 16 residues pruned to eliminate duplicates Z: 26 15.406 1.827 0.492 0.605 0.920 0.560 CB 1.112 18 residues pruned to eliminate duplicates Z: 15 16.083 1.839 0.807 0.772 0.929 0.786 CB 1.095 15 residues pruned to eliminate duplicates Z: 13 17.957 1.912 0.659 0.808 0.917 0.750 CB 1.363 13 residues pruned to eliminate duplicates Z: 10 12.379 1.929 0.469 0.472 0.889 0.556 CA 1.686 11 residues pruned to eliminate duplicates Z: 21 7.426 1.760 0.383 0.320 0.800 0.450 CB 1.040 21 residues pruned to eliminate duplicates Z: 19 19.349 1.980 0.261 0.752 0.944 0.833 CB 1.545 19 residues pruned to eliminate duplicates Z: 19 15.207 1.894 0.825 0.505 0.889 0.667 CB 1.161 19 residues pruned to eliminate duplicates Z: 16 14.982 1.763 0.589 0.869 0.867 0.667 CB 1.164 16 residues pruned to eliminate duplicates Z: 12 15.378 1.771 0.653 0.861 1.000 0.818 CB 1.164 Z: 7 7.518 1.788 0.303 0.852 1.000 1.000 CB 0.975 7 residues pruned to eliminate duplicates Z: 27 19.593 1.963 0.377 0.669 0.923 0.808 CB 1.318 27 residues pruned to eliminate duplicates Z: 12 17.842 1.974 0.582 0.835 0.909 0.727 CB 1.420 13 residues pruned to eliminate duplicates Z: 17 19.391 1.830 0.677 0.897 0.938 0.875 CB 1.206 17 residues pruned to eliminate duplicates Z: 52 26.085 1.946 0.542 0.568 0.941 0.667 CB 1.211 52 residues pruned to eliminate duplicates Z: 6 5.281 1.646 0.070 0.722 1.000 0.600 CB 1.098 Z: 15 21.168 1.882 0.495 0.843 0.929 0.857 CA 1.612 15 residues pruned to eliminate duplicates Z: 13 16.246 1.758 0.486 0.907 1.000 0.917 CB 1.276 12 residues pruned to eliminate duplicates Z: 20 8.721 1.795 0.405 0.402 0.895 0.632 CB 0.983 20 residues pruned to eliminate duplicates Z: 8 7.446 1.644 0.308 0.779 0.857 0.857 CB 1.194 8 residues pruned to eliminate duplicates Z: 14 8.640 1.753 0.185 0.864 1.000 0.923 CB 0.845 14 residues pruned to eliminate duplicates Z: 11 8.493 1.595 0.485 0.738 0.900 0.600 CB 1.018 Z: 23 13.494 1.732 0.420 0.600 0.955 0.636 CB 1.114 Z: 23 11.793 1.866 0.531 0.302 0.773 0.500 CB 1.420 23 residues pruned to eliminate duplicates Z: 7 11.270 1.804 0.833 0.851 1.000 0.667 CA 1.030 7 residues pruned to eliminate duplicates Z: 16 9.213 1.813 0.599 0.509 0.933 0.667 CB 0.872 16 residues pruned to eliminate duplicates Z: 16 22.666 1.990 0.547 0.767 1.000 0.867 CB 1.500 16 residues pruned to eliminate duplicates Z: 31 23.754 1.888 0.518 0.644 0.933 0.767 CB 1.417 31 residues pruned to eliminate duplicates Z: 15 21.267 1.959 0.413 0.789 1.000 0.857 CB 1.593 15 residues pruned to eliminate duplicates Z: 19 22.139 1.695 0.668 0.829 0.944 0.667 CB 1.470 19 residues pruned to eliminate duplicates Z: 17 17.202 1.851 0.858 0.852 0.875 0.750 CB 1.057 17 residues pruned to eliminate duplicates Z: 8 10.677 1.594 0.670 0.666 1.000 0.714 N 1.300 8 residues pruned to eliminate duplicates Z: 7 9.215 1.746 0.511 0.584 1.000 0.500 N 1.316 Z: 14 13.171 1.750 0.514 0.869 0.923 0.846 CB 1.091 11 residues pruned to eliminate duplicates Z: 18 5.098 1.635 0.319 0.259 0.706 0.471 CB 1.071 Z: 8 7.362 1.682 0.461 0.743 0.857 0.714 CB 1.063 7 residues pruned to eliminate duplicates Z: 9 16.671 1.822 0.511 0.841 1.000 0.875 N 1.596 9 residues pruned to eliminate duplicates Z: 13 16.188 1.759 0.963 0.877 1.000 0.667 CB 0.982 13 residues pruned to eliminate duplicates Z: 7 3.254 1.391 0.512 0.404 0.667 0.500 CB 1.047 Z: 12 24.908 1.968 1.064 0.919 0.909 0.818 CB 1.433 12 residues pruned to eliminate duplicates Z: 8 8.225 1.652 0.449 0.561 0.857 0.286 CA 1.427 7 residues pruned to eliminate duplicates Z: 9 5.952 1.627 0.198 0.867 1.000 1.000 CB 0.790 8 residues pruned to eliminate duplicates Z: 10 3.830 1.876 0.192 0.351 0.667 0.556 CB 1.006 10 residues pruned to eliminate duplicates Z: 15 14.663 1.877 0.295 0.921 0.929 0.929 CB 1.222 15 residues pruned to eliminate duplicates Z: 19 10.903 1.771 0.666 0.685 0.778 0.389 CB 0.945 19 residues pruned to eliminate duplicates Z: 8 10.764 1.770 0.997 0.599 0.857 0.714 CB 1.221 8 residues pruned to eliminate duplicates Z: 20 15.216 1.937 0.255 0.698 0.895 0.737 CB 1.340 20 residues pruned to eliminate duplicates Z: 7 8.196 1.622 0.426 0.785 0.833 0.500 O 1.351 7 residues pruned to eliminate duplicates Z: 6 2.152 1.335 0.442 0.298 0.600 0.200 CB 1.043 Z: 18 7.262 1.746 0.448 0.424 0.765 0.235 CB 0.986 18 residues pruned to eliminate duplicates Z: 16 20.201 1.826 0.663 0.875 1.000 0.867 CB 1.250 16 residues pruned to eliminate duplicates Z: 9 4.656 1.660 -0.015 0.508 1.000 0.750 CB 0.999 Z: 14 11.031 1.718 0.523 0.819 0.692 0.615 CB 1.281 14 residues pruned to eliminate duplicates Z: 14 12.232 1.624 0.674 0.780 0.923 0.538 CB 1.056 11 residues pruned to eliminate duplicates Z: 6 5.082 1.760 -0.151 0.754 1.000 1.000 CB 1.214 Z: 7 12.945 1.897 0.454 0.873 1.000 1.000 CB 1.395 7 residues pruned to eliminate duplicates Z: 11 4.682 1.809 0.135 0.347 0.900 0.500 CB 0.946 11 residues pruned to eliminate duplicates Z: 8 10.332 1.778 0.822 0.450 1.000 0.714 CB 1.268 Z: 13 12.315 1.751 0.729 0.507 1.000 0.750 CB 1.166 7 residues pruned to eliminate duplicates Z: 13 14.477 1.854 0.839 0.468 0.917 0.750 CB 1.381 10 residues pruned to eliminate duplicates Z: 16 15.780 1.628 0.658 0.913 0.933 0.867 CA 1.144 Z: 11 10.465 1.680 0.783 0.532 0.800 0.700 CA 1.338 Z: 9 4.683 1.532 0.413 0.556 0.750 0.625 CB 0.966 Z: 13 22.366 1.909 0.615 0.832 1.000 0.750 CB 1.572 13 residues pruned to eliminate duplicates Z: 31 18.009 1.781 0.663 0.380 0.933 0.600 CB 1.351 31 residues pruned to eliminate duplicates Z: 7 5.810 1.545 0.411 0.699 1.000 0.667 CB 0.907 7 residues pruned to eliminate duplicates Z: 36 26.931 1.923 0.624 0.625 1.000 0.743 CB 1.296 36 residues pruned to eliminate duplicates Z: 6 4.108 1.422 0.562 0.673 0.800 0.600 N 0.882 6 residues pruned to eliminate duplicates Z: 13 15.038 1.944 0.496 0.821 1.000 0.833 CB 1.130 13 residues pruned to eliminate duplicates Z: 8 3.686 1.634 0.472 0.162 0.714 0.429 CB 1.225 Z: 8 3.359 1.696 0.221 0.425 0.571 0.571 CB 1.160 Z: 12 13.052 1.993 0.478 0.843 0.909 0.727 CB 1.095 12 residues pruned to eliminate duplicates Z: 9 6.326 1.532 0.704 0.573 0.750 0.250 CB 1.065 8 residues pruned to eliminate duplicates Z: 17 10.977 1.677 0.323 0.538 0.938 0.500 CB 1.271 17 residues pruned to eliminate duplicates Z: 8 4.775 1.622 0.223 0.587 0.714 0.571 CA 1.172 8 residues pruned to eliminate duplicates Z: 6 3.515 1.585 0.117 0.456 0.800 0.400 CB 1.160 Z: 10 6.040 1.491 0.566 0.349 0.778 0.556 N 1.306 Z: 20 8.311 1.630 0.754 0.369 0.632 0.579 CB 1.214 8 residues pruned to eliminate duplicates Z: 35 21.750 1.885 0.419 0.571 0.882 0.618 CB 1.476 35 residues pruned to eliminate duplicates Z: 7 3.000 1.450 0.313 0.502 0.833 0.667 CB 0.771 Z: 14 14.366 1.813 0.485 0.736 1.000 0.846 CB 1.197 13 residues pruned to eliminate duplicates Z: 22 12.573 1.686 0.636 0.465 0.857 0.571 CB 1.203 Z: 7 2.306 1.443 0.228 0.261 0.667 0.500 O 1.046 Z: 15 17.127 1.789 0.657 0.869 1.000 0.786 CB 1.128 14 residues pruned to eliminate duplicates Z: 15 8.598 1.687 0.464 0.337 0.857 0.571 CB 1.297 13 residues pruned to eliminate duplicates Z: 6 5.173 1.583 0.392 0.674 0.800 0.800 N 1.118 Z: 14 7.474 1.669 0.350 0.390 0.846 0.692 CB 1.221 14 residues pruned to eliminate duplicates Z: 20 18.062 1.985 0.825 0.662 0.842 0.421 CB 1.169 20 residues pruned to eliminate duplicates Z: 7 5.246 1.574 0.365 0.518 0.833 0.500 CB 1.175 5 residues pruned to eliminate duplicates Z: 19 7.651 1.599 0.505 0.512 0.889 0.667 CB 0.833 8 residues pruned to eliminate duplicates Z: 7 6.359 1.565 0.828 0.645 0.833 0.500 CA 0.951 7 residues pruned to eliminate duplicates Z: 16 17.518 1.887 0.660 0.886 0.933 0.667 CB 1.116 16 residues pruned to eliminate duplicates Z: 17 20.892 1.801 0.765 0.908 1.000 0.875 CB 1.168 16 residues pruned to eliminate duplicates Z: 18 15.149 1.721 0.819 0.712 0.765 0.647 CB 1.266 18 residues pruned to eliminate duplicates Z: 23 9.693 1.642 0.667 0.467 0.864 0.727 CB 0.904 23 residues pruned to eliminate duplicates Z: 16 13.311 1.859 0.356 0.621 0.933 0.600 CB 1.303 16 residues pruned to eliminate duplicates Z: 18 13.985 1.690 0.911 0.430 0.882 0.647 CB 1.280 20 residues pruned to eliminate duplicates Z: 28 19.415 1.874 0.550 0.609 0.926 0.704 CB 1.253 28 residues pruned to eliminate duplicates Z: 16 19.674 1.791 0.546 0.857 1.000 0.800 CB 1.353 16 residues pruned to eliminate duplicates Z: 17 19.305 1.865 0.677 0.752 0.875 0.625 CA 1.409 17 residues pruned to eliminate duplicates Z: 14 22.684 1.861 0.513 0.830 1.000 0.769 C 1.680 14 residues pruned to eliminate duplicates Z: 8 6.215 1.731 -0.031 0.616 1.000 0.714 CB 1.254 8 residues pruned to eliminate duplicates Z: 11 8.337 1.534 0.814 0.600 0.800 0.800 CB 1.077 11 residues pruned to eliminate duplicates Z: 13 17.765 1.742 0.624 0.926 1.000 0.917 CB 1.271 13 residues pruned to eliminate duplicates Z: 14 16.598 1.948 0.539 0.842 0.923 0.923 CB 1.240 14 residues pruned to eliminate duplicates Z: 13 6.156 1.737 0.101 0.488 0.750 0.333 CB 1.253 12 residues pruned to eliminate duplicates Z: 22 14.877 1.732 0.382 0.556 0.952 0.714 CB 1.349 24 residues pruned to eliminate duplicates Z: 14 10.945 1.774 0.669 0.333 0.923 0.385 N 1.333 8 residues pruned to eliminate duplicates Z: 12 11.310 1.657 0.396 0.855 1.000 0.909 CB 1.088 12 residues pruned to eliminate duplicates Z: 13 6.933 1.685 0.219 0.429 0.833 0.583 CB 1.258 13 residues pruned to eliminate duplicates Z: 12 14.437 1.908 0.541 0.539 1.000 0.818 CB 1.424 13 residues pruned to eliminate duplicates Z: 15 9.511 1.682 0.437 0.696 0.929 0.429 CB 0.947 15 residues pruned to eliminate duplicates Z: 10 5.987 1.591 0.768 0.831 0.667 0.667 CB 0.800 10 residues pruned to eliminate duplicates Z: 13 14.304 1.696 0.565 0.876 1.000 0.833 CB 1.130 13 residues pruned to eliminate duplicates Z: 9 4.014 1.825 0.224 0.286 0.875 0.375 CB 0.924 9 residues pruned to eliminate duplicates Z: 6 4.215 1.303 1.171 0.271 0.800 0.600 CA 1.080 Z: 7 8.487 1.679 0.780 0.821 0.833 0.500 CB 1.053 7 residues pruned to eliminate duplicates Z: 8 10.202 1.740 0.600 0.632 1.000 0.429 CB 1.223 8 residues pruned to eliminate duplicates Z: 62 26.680 1.902 0.545 0.476 0.934 0.639 CB 1.274 62 residues pruned to eliminate duplicates Z: 8 8.852 1.657 0.331 0.628 1.000 0.857 CB 1.344 Z: 7 5.504 1.775 0.672 0.549 0.833 0.500 CB 0.867 Z: 9 3.625 1.569 0.600 0.318 0.625 0.500 CB 0.999 Z: 10 3.254 1.545 0.313 0.278 0.778 0.333 CB 0.883 Z: 8 15.264 1.876 0.552 0.720 1.000 0.714 O 1.624 9 residues pruned to eliminate duplicates Z: 6 9.565 1.821 0.561 0.736 1.000 1.000 CB 1.218 Z: 6 5.343 1.299 0.882 0.667 1.000 0.600 N 0.838 6 residues pruned to eliminate duplicates Z: 10 3.598 1.482 0.349 0.296 0.667 0.444 CB 1.130 6 residues pruned to eliminate duplicates Z: 16 5.813 1.660 0.542 0.199 0.800 0.533 CB 1.049 Z: 17 15.702 1.867 0.720 0.848 0.875 0.625 CB 1.036 17 residues pruned to eliminate duplicates Z: 8 7.804 1.908 0.785 0.473 0.857 0.857 CB 1.038 8 residues pruned to eliminate duplicates Z: 15 11.967 1.832 0.380 0.423 0.857 0.714 N 1.599 15 residues pruned to eliminate duplicates Z: 13 6.194 1.869 0.334 0.370 0.833 0.500 CB 0.989 13 residues pruned to eliminate duplicates Z: 8 4.495 1.706 -0.085 0.473 0.857 0.714 O 1.306 Z: 15 22.870 1.921 0.630 0.887 1.000 0.857 CB 1.408 15 residues pruned to eliminate duplicates Z: 11 11.982 1.685 0.638 0.907 1.000 0.800 CB 0.976 11 residues pruned to eliminate duplicates Z: 8 6.353 1.640 0.082 0.533 1.000 0.429 CB 1.310 7 residues pruned to eliminate duplicates Z: 9 9.543 1.683 0.568 0.855 1.000 0.750 CB 0.943 10 residues pruned to eliminate duplicates Z: 13 28.921 2.057 1.131 0.703 1.000 0.667 CB 1.583 16 residues pruned to eliminate duplicates Z: 13 16.436 1.894 0.526 0.829 1.000 0.833 CB 1.235 13 residues pruned to eliminate duplicates Z: 9 11.282 1.604 0.701 0.674 1.000 0.750 N 1.246 7 residues pruned to eliminate duplicates Z: 7 7.917 1.662 1.103 0.709 0.833 0.833 CB 0.917 Z: 9 15.230 1.576 0.882 0.846 1.000 0.750 O 1.349 9 residues pruned to eliminate duplicates Z: 9 7.611 1.644 0.564 0.239 1.000 0.375 C 1.417 Z: 7 3.727 1.580 0.411 0.343 0.667 0.667 O 1.214 7 residues pruned to eliminate duplicates Z: 16 16.835 1.697 0.558 0.894 0.933 0.667 CB 1.264 16 residues pruned to eliminate duplicates Z: 9 11.723 1.757 0.657 0.891 0.875 0.875 CB 1.169 9 residues pruned to eliminate duplicates Z: 8 11.905 1.743 0.611 0.864 1.000 0.714 CB 1.175 8 residues pruned to eliminate duplicates Z: 18 18.166 1.779 0.407 0.752 0.941 0.706 CA 1.494 18 residues pruned to eliminate duplicates Z: 9 5.551 1.673 0.685 0.382 0.750 0.375 CB 1.053 8 residues pruned to eliminate duplicates Z: 12 14.554 1.776 0.522 0.895 1.000 0.727 CB 1.163 12 residues pruned to eliminate duplicates Z: 18 11.765 1.795 0.465 0.454 0.941 0.353 CB 1.209 18 residues pruned to eliminate duplicates Z: 10 17.455 1.773 0.697 0.861 1.000 0.778 CA 1.421 10 residues pruned to eliminate duplicates Z: 10 4.602 1.601 0.279 0.511 0.778 0.667 CB 0.952 Z: 32 15.462 1.730 0.611 0.578 0.871 0.484 CB 1.062 34 residues pruned to eliminate duplicates Z: 12 19.204 1.720 1.018 0.894 1.000 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 7 6.651 1.797 0.431 0.583 1.000 0.667 CB 0.975 7 residues pruned to eliminate duplicates Z: 15 16.629 1.636 0.713 0.886 1.000 0.786 CB 1.145 17 residues pruned to eliminate duplicates Z: 22 9.333 1.715 0.516 0.415 0.857 0.429 CB 0.999 18 residues pruned to eliminate duplicates Z: 15 8.511 1.696 0.600 0.232 0.857 0.571 CB 1.336 16 residues pruned to eliminate duplicates Z: 17 25.456 1.943 0.829 0.809 1.000 0.688 CB 1.368 17 residues pruned to eliminate duplicates Z: 23 20.093 1.805 0.571 0.634 1.000 0.636 CB 1.332 23 residues pruned to eliminate duplicates Z: 10 10.847 1.694 0.587 0.630 0.889 0.778 CB 1.339 8 residues pruned to eliminate duplicates Z: 16 24.050 1.957 0.760 0.841 1.000 0.800 CB 1.344 16 residues pruned to eliminate duplicates Z: 20 10.426 1.767 0.517 0.460 0.842 0.684 CB 1.104 19 residues pruned to eliminate duplicates Z: 9 8.114 1.589 0.622 0.578 0.875 0.625 N 1.180 9 residues pruned to eliminate duplicates Z: 7 3.349 1.700 0.444 0.408 0.833 0.500 CB 0.737 Z: 10 10.178 1.679 0.436 0.843 0.889 0.778 CA 1.179 10 residues pruned to eliminate duplicates Z: 10 6.660 1.744 0.545 0.515 0.778 0.778 CB 1.043 9 residues pruned to eliminate duplicates Z: 46 23.964 1.858 0.611 0.535 0.978 0.644 CB 1.179 46 residues pruned to eliminate duplicates Z: 12 15.280 1.632 0.792 0.860 1.000 1.000 CA 1.158 12 residues pruned to eliminate duplicates Z: 15 15.867 1.947 0.539 0.894 1.000 0.714 CB 1.015 15 residues pruned to eliminate duplicates Z: 8 10.729 1.812 0.138 0.885 1.000 1.000 CA 1.420 8 residues pruned to eliminate duplicates Z: 7 4.226 1.404 0.325 0.589 0.833 0.667 O 1.022 7 residues pruned to eliminate duplicates Z: 15 4.202 1.620 0.442 0.405 0.786 0.357 CB 0.676 Z: 8 7.959 1.473 0.818 0.720 1.000 0.857 N 0.921 8 residues pruned to eliminate duplicates Z: 8 9.348 1.560 0.656 0.801 0.857 0.714 CA 1.226 8 residues pruned to eliminate duplicates Z: 9 10.261 1.677 0.781 0.732 0.875 0.750 N 1.127 9 residues pruned to eliminate duplicates Z: 10 12.973 1.600 0.782 0.868 0.889 0.889 CB 1.247 11 residues pruned to eliminate duplicates Z: 9 5.006 1.727 0.196 0.420 0.875 0.500 CB 1.064 Z: 6 4.467 1.779 0.045 0.473 0.800 0.600 O 1.381 6 residues pruned to eliminate duplicates Z: 7 4.688 1.656 0.598 0.549 0.833 0.667 CB 0.827 Z: 20 16.860 1.907 0.663 0.500 0.947 0.737 CB 1.288 20 residues pruned to eliminate duplicates Z: 6 7.139 1.728 0.495 0.643 1.000 0.600 CB 1.081 6 residues pruned to eliminate duplicates Z: 6 11.303 1.758 0.962 0.820 1.000 1.000 CB 1.110 Z: 11 11.779 1.734 0.279 0.650 1.000 0.500 O 1.461 12 residues pruned to eliminate duplicates Z: 10 4.181 1.497 0.670 0.287 0.667 0.444 CB 1.063 10 residues pruned to eliminate duplicates Z: 8 13.581 1.591 0.721 0.822 1.000 0.857 CB 1.418 8 residues pruned to eliminate duplicates Z: 7 11.035 1.571 0.704 0.840 1.000 0.667 N 1.256 6 residues pruned to eliminate duplicates Z: 12 10.993 1.633 0.711 0.560 0.909 0.545 CA 1.231 12 residues pruned to eliminate duplicates Z: 17 20.329 1.686 0.835 0.908 1.000 0.625 CB 1.167 22 residues pruned to eliminate duplicates Z: 7 6.970 1.695 0.500 0.329 1.000 0.667 CB 1.350 Z: 12 11.569 1.735 0.390 0.900 1.000 0.818 CB 1.033 12 residues pruned to eliminate duplicates Z: 8 4.009 1.479 0.650 0.321 0.857 0.286 CB 0.882 Z: 9 9.708 1.711 0.665 0.770 1.000 0.875 CB 0.949 7 residues pruned to eliminate duplicates Z: 10 16.545 1.660 0.918 0.887 0.889 0.778 CA 1.405 10 residues pruned to eliminate duplicates Z: 9 7.174 1.542 0.591 0.577 1.000 0.875 CB 0.960 Z: 13 10.714 1.687 0.508 0.743 0.917 0.667 CB 1.067 13 residues pruned to eliminate duplicates Z: 9 7.815 1.540 0.425 0.747 0.875 0.750 CB 1.154 8 residues pruned to eliminate duplicates Z: 14 8.415 1.531 0.591 0.629 0.846 0.385 CB 1.004 14 residues pruned to eliminate duplicates Z: 7 7.007 1.693 0.407 0.828 1.000 1.000 CB 0.904 Z: 9 4.441 1.670 0.223 0.305 0.750 0.750 CB 1.273 9 residues pruned to eliminate duplicates Z: 23 7.680 1.718 0.364 0.370 0.773 0.500 CB 1.039 34 residues pruned to eliminate duplicates Z: 15 22.474 1.802 0.694 0.765 1.000 0.714 CB 1.556 15 residues pruned to eliminate duplicates Z: 27 12.096 1.725 0.347 0.567 0.846 0.615 CB 1.131 27 residues pruned to eliminate duplicates Z: 8 4.924 1.521 0.465 0.493 0.714 0.571 CB 1.178 Z: 7 2.308 1.510 0.881 0.249 1.000 0.500 CB 0.443 7 residues pruned to eliminate duplicates Z: 27 20.514 1.988 0.421 0.637 0.885 0.731 CB 1.417 27 residues pruned to eliminate duplicates Z: 8 11.444 1.759 0.378 0.814 1.000 0.714 CB 1.357 Z: 7 4.152 1.817 0.289 0.560 0.667 0.667 CB 1.024 7 residues pruned to eliminate duplicates Z: 6 4.986 1.529 0.735 0.300 0.800 0.600 N 1.314 3 residues pruned to eliminate duplicates Z: 6 2.910 1.798 0.011 0.741 0.800 0.800 CB 0.721 4 residues pruned to eliminate duplicates Z: 6 2.732 1.142 0.178 0.756 1.000 1.000 CA 0.723 Z: 6 5.712 1.469 0.308 0.529 1.000 0.800 O 1.292 Z: 8 2.602 1.475 0.996 0.312 0.429 0.429 O 0.960 Z: 7 6.093 1.524 0.854 0.794 0.833 0.667 N 0.816 7 residues pruned to eliminate duplicates Z: 7 7.970 1.707 0.537 0.706 0.833 0.833 N 1.234 5 residues pruned to eliminate duplicates Z: 19 5.787 1.618 0.180 0.326 0.944 0.500 CB 0.916 19 residues pruned to eliminate duplicates Z: 7 2.877 1.358 0.411 0.381 0.833 0.500 N 0.835 Z: 10 4.783 1.594 0.088 0.524 0.778 0.444 CB 1.154 8 residues pruned to eliminate duplicates Z: 8 10.640 1.673 1.199 0.725 1.000 0.571 CB 0.892 8 residues pruned to eliminate duplicates Z: 8 15.583 1.874 0.536 0.852 1.000 0.857 N 1.513 8 residues pruned to eliminate duplicates Z: 11 12.743 1.751 0.798 0.748 0.800 0.700 CB 1.282 11 residues pruned to eliminate duplicates Z: 11 18.635 1.843 0.853 0.906 1.000 0.900 CA 1.227 11 residues pruned to eliminate duplicates Z: 8 4.787 1.851 0.631 0.353 0.714 0.429 CB 0.984 8 residues pruned to eliminate duplicates Z: 12 14.944 1.953 0.607 0.604 1.000 1.000 CB 1.301 12 residues pruned to eliminate duplicates Z: 38 21.395 1.827 0.626 0.571 0.946 0.703 CB 1.169 38 residues pruned to eliminate duplicates Z: 10 5.318 1.493 0.612 0.561 0.778 0.667 N 0.893 Z: 10 8.938 1.636 0.575 0.753 1.000 0.556 CB 0.923 9 residues pruned to eliminate duplicates Z: 17 24.926 1.962 0.901 0.841 1.000 0.438 CB 1.246 17 residues pruned to eliminate duplicates Z: 9 4.299 1.528 0.392 0.430 0.750 0.500 N 1.025 7 residues pruned to eliminate duplicates Z: 22 15.736 1.755 0.533 0.625 0.952 0.619 CB 1.191 22 residues pruned to eliminate duplicates Z: 6 5.427 1.372 0.168 0.769 1.000 0.600 N 1.193 Z: 16 11.369 1.667 0.535 0.811 0.800 0.733 CB 1.095 16 residues pruned to eliminate duplicates Z: 8 6.982 1.736 0.463 0.416 1.000 0.714 CB 1.135 8 residues pruned to eliminate duplicates Z: 18 10.953 1.675 0.466 0.464 0.882 0.588 CB 1.272 18 residues pruned to eliminate duplicates Z: 10 10.017 1.308 1.027 0.738 1.000 0.778 N 1.017 Z: 11 3.816 1.721 0.143 0.584 0.900 0.700 CB 0.629 11 residues pruned to eliminate duplicates Z: 15 22.986 1.949 0.856 0.780 0.929 0.571 CB 1.429 15 residues pruned to eliminate duplicates Z: 9 5.015 1.664 0.491 0.158 0.750 0.250 O 1.449 Z: 16 18.805 1.897 0.567 0.895 1.000 0.800 CB 1.171 16 residues pruned to eliminate duplicates Z: 13 11.449 1.879 0.332 0.519 0.917 0.750 CB 1.414 13 residues pruned to eliminate duplicates Z: 16 11.809 1.746 0.706 0.745 0.867 0.400 CB 0.949 16 residues pruned to eliminate duplicates Z: 8 7.606 1.721 0.306 0.699 1.000 0.857 CB 1.066 8 residues pruned to eliminate duplicates Z: 6 2.571 1.731 0.160 0.179 1.000 0.200 CB 0.843 Z: 9 7.931 1.646 0.276 0.838 0.875 0.875 N 1.140 9 residues pruned to eliminate duplicates Z: 8 7.600 1.813 0.053 0.723 1.000 0.714 CB 1.229 8 residues pruned to eliminate duplicates Z: 13 4.559 1.746 0.425 0.249 0.667 0.250 CB 1.059 Z: 9 5.342 1.688 0.894 0.744 1.000 0.750 CB 0.475 8 residues pruned to eliminate duplicates Z: 12 10.808 1.534 0.723 0.865 1.000 1.000 CB 0.903 12 residues pruned to eliminate duplicates Z: 14 6.150 1.528 0.403 0.358 0.923 0.538 CA 1.004 Z: 11 5.399 1.506 0.750 0.524 0.900 0.500 CB 0.703 Z: 13 6.125 1.614 0.392 0.495 0.750 0.583 CB 1.055 Z: 6 8.322 1.674 0.747 0.812 1.000 1.000 CB 0.969 7 residues pruned to eliminate duplicates Z: 11 3.352 1.515 0.608 0.208 0.700 0.200 CB 0.877 Z: 6 5.557 1.606 0.366 0.669 1.000 0.600 CB 0.969 Z: 9 2.888 1.374 0.184 0.383 0.875 0.500 CB 0.812 Z: 11 14.493 1.764 0.613 0.852 1.000 0.800 CA 1.191 11 residues pruned to eliminate duplicates Z: 7 2.055 1.561 -0.045 0.602 0.833 0.667 CB 0.613 18 residues pruned to eliminate duplicates Z: 13 5.248 1.624 0.402 0.265 0.750 0.500 CB 1.160 13 residues pruned to eliminate duplicates Z: 28 19.146 1.974 0.286 0.627 0.963 0.741 CB 1.338 28 residues pruned to eliminate duplicates Z: 14 12.866 1.591 0.599 0.786 0.923 0.846 CB 1.181 14 residues pruned to eliminate duplicates Z: 23 7.841 1.546 0.634 0.348 0.727 0.545 CB 1.073 23 residues pruned to eliminate duplicates Z: 47 24.581 1.958 0.506 0.556 0.957 0.696 CB 1.218 47 residues pruned to eliminate duplicates Z: 12 14.119 1.749 0.567 0.862 1.000 1.000 CB 1.140 12 residues pruned to eliminate duplicates Z: 12 10.554 1.798 0.473 0.526 0.909 0.636 CB 1.288 12 residues pruned to eliminate duplicates Z: 9 3.244 1.602 -0.110 0.489 0.875 0.500 CB 0.929 Z: 9 9.762 1.551 0.409 0.721 1.000 0.750 CB 1.294 8 residues pruned to eliminate duplicates Z: 29 13.279 1.598 0.571 0.514 0.893 0.571 CB 1.104 29 residues pruned to eliminate duplicates Z: 16 15.940 1.741 0.308 0.837 1.000 1.000 CB 1.352 16 residues pruned to eliminate duplicates Z: 6 4.626 1.478 0.376 0.678 1.000 0.600 CB 0.864 6 residues pruned to eliminate duplicates Z: 14 13.197 1.771 0.590 0.513 1.000 0.692 CB 1.284 12 residues pruned to eliminate duplicates Z: 10 4.898 1.615 0.342 0.366 0.778 0.444 CB 1.118 20 residues pruned to eliminate duplicates Z: 9 3.237 1.529 0.027 0.506 0.750 0.375 CB 0.967 Z: 18 9.081 1.799 0.515 0.382 0.824 0.647 CB 1.113 10 residues pruned to eliminate duplicates Z: 7 3.560 1.545 0.397 0.345 0.667 0.500 CB 1.195 7 residues pruned to eliminate duplicates Z: 9 3.302 1.558 0.235 0.428 0.625 0.375 CB 1.046 Z: 6 2.426 1.490 0.295 0.372 0.600 0.400 N 1.075 Z: 11 7.281 1.790 0.263 0.439 0.800 0.600 CB 1.356 12 residues pruned to eliminate duplicates Z: 23 11.022 1.816 0.397 0.384 0.864 0.455 CB 1.213 23 residues pruned to eliminate duplicates Z: 8 4.931 1.481 0.163 0.481 1.000 0.571 CA 1.103 Z: 22 12.110 1.815 0.449 0.482 0.905 0.619 CB 1.131 22 residues pruned to eliminate duplicates Z: 9 8.903 1.691 0.768 0.687 0.750 0.375 CB 1.183 9 residues pruned to eliminate duplicates Z: 12 11.435 1.669 0.610 0.880 0.909 0.818 CB 1.022 12 residues pruned to eliminate duplicates Z: 7 8.693 1.653 0.640 0.634 1.000 0.500 CB 1.154 Z: 8 5.577 1.533 0.742 0.525 0.714 0.286 CB 1.079 Z: 17 14.244 1.696 0.401 0.690 1.000 0.500 CB 1.258 17 residues pruned to eliminate duplicates Z: 6 2.122 1.367 -0.475 0.629 1.000 0.400 N 1.171 Z: 27 10.803 1.803 0.422 0.317 0.846 0.500 CB 1.195 27 residues pruned to eliminate duplicates Z: 18 17.412 1.749 0.483 0.747 0.941 0.647 CB 1.387 18 residues pruned to eliminate duplicates Z: 10 3.934 1.525 0.537 0.181 0.778 0.222 N 1.057 10 residues pruned to eliminate duplicates Z: 10 2.484 1.607 0.274 0.166 0.556 0.333 O 1.093 Z: 9 9.918 1.464 0.751 0.875 1.000 0.500 CB 0.996 Z: 9 6.758 1.696 0.816 0.418 0.875 0.500 CB 0.966 Z: 23 12.295 1.697 0.325 0.609 0.909 0.727 CB 1.157 21 residues pruned to eliminate duplicates Z: 15 17.014 1.859 0.838 0.799 1.000 0.786 CB 1.025 15 residues pruned to eliminate duplicates Z: 18 9.824 1.807 0.529 0.333 0.824 0.412 CB 1.257 37 residues pruned to eliminate duplicates Z: 16 15.806 1.783 0.387 0.880 1.000 0.600 CB 1.195 16 residues pruned to eliminate duplicates Z: 14 11.759 1.862 0.671 0.858 0.923 0.615 CB 0.836 14 residues pruned to eliminate duplicates Z: 33 19.516 1.821 0.445 0.571 0.875 0.594 CB 1.400 33 residues pruned to eliminate duplicates Z: 7 9.150 1.735 0.258 0.838 1.000 1.000 CB 1.279 7 residues pruned to eliminate duplicates Z: 8 5.483 1.703 0.153 0.565 0.857 0.429 CA 1.157 8 residues pruned to eliminate duplicates Z: 9 7.626 1.520 0.509 0.821 1.000 0.875 CB 0.890 9 residues pruned to eliminate duplicates Z: 15 13.158 1.794 0.376 0.872 1.000 0.857 CB 1.038 15 residues pruned to eliminate duplicates Z: 11 6.052 1.718 0.289 0.456 0.800 0.800 CB 1.131 11 residues pruned to eliminate duplicates Z: 15 13.927 1.651 0.528 0.843 0.857 0.714 CB 1.282 15 residues pruned to eliminate duplicates Z: 38 22.276 1.872 0.579 0.583 0.919 0.541 CB 1.244 38 residues pruned to eliminate duplicates Z: 24 19.524 1.707 0.659 0.621 0.913 0.739 CB 1.405 24 residues pruned to eliminate duplicates Z: 11 3.824 1.619 0.041 0.293 1.000 0.500 CB 0.906 10 residues pruned to eliminate duplicates Z: 10 6.880 1.717 0.691 0.408 0.889 0.444 CB 0.979 10 residues pruned to eliminate duplicates Z: 6 8.744 1.898 0.364 0.701 1.000 0.600 CA 1.257 7 residues pruned to eliminate duplicates Z: 11 10.960 1.738 0.774 0.637 1.000 0.600 CB 0.988 11 residues pruned to eliminate duplicates Z: 9 5.359 1.202 0.936 0.769 1.000 0.750 CB 0.642 Z: 15 3.933 1.622 0.385 0.267 0.500 0.143 CB 1.219 15 residues pruned to eliminate duplicates Z: 19 7.000 1.562 0.524 0.399 0.778 0.556 CB 0.991 9 residues pruned to eliminate duplicates 6 1.598 1.147 0.485 0.431 0.600 0.400 CB 0.751 ? 6 1.358 1.393 0.460 0.291 0.400 0.400 CB 0.944 ? Z: 21 11.202 1.763 0.911 0.286 0.800 0.500 CB 1.183 21 residues pruned to eliminate duplicates Z: 24 13.959 1.932 0.584 0.399 0.826 0.478 CB 1.281 24 residues pruned to eliminate duplicates Z: 7 2.551 1.433 -0.126 0.582 0.833 0.667 CB 0.922 7 residues pruned to eliminate duplicates Z: 8 13.701 1.630 1.017 0.768 1.000 0.714 CA 1.242 8 residues pruned to eliminate duplicates Z: 16 14.997 1.801 0.389 0.870 1.000 0.867 CB 1.130 16 residues pruned to eliminate duplicates Z: 6 2.723 1.027 0.787 0.646 1.000 0.800 CB 0.579 Z: 15 6.561 1.599 0.218 0.460 1.000 0.714 CB 0.937 10 residues pruned to eliminate duplicates Z: 7 3.797 1.435 0.484 0.571 0.667 0.500 CB 1.020 Z: 24 14.965 1.688 0.523 0.527 0.913 0.696 CB 1.294 24 residues pruned to eliminate duplicates Z: 9 14.183 1.924 0.514 0.534 1.000 0.625 CB 1.665 8 residues pruned to eliminate duplicates Z: 10 8.452 1.865 0.392 0.480 1.000 0.556 CB 1.108 8 residues pruned to eliminate duplicates Z: 6 2.504 1.514 0.432 0.282 0.600 0.200 CB 1.101 Z: 38 19.200 1.896 0.470 0.415 0.919 0.622 CB 1.347 38 residues pruned to eliminate duplicates Z: 11 4.394 1.766 0.178 0.319 0.700 0.400 CB 1.166 8 1.973 1.157 0.415 0.377 0.857 0.714 CB 0.606 ? Z: 8 5.907 1.854 0.190 0.538 0.857 0.571 CB 1.138 8 residues pruned to eliminate duplicates Z: 18 11.019 1.793 0.612 0.518 0.824 0.588 CB 1.103 16 residues pruned to eliminate duplicates Z: 9 5.246 1.487 0.534 0.245 1.000 0.500 CB 1.091 10 residues pruned to eliminate duplicates Z: 9 11.244 1.866 0.432 0.861 1.000 0.875 CB 1.093 16 residues pruned to eliminate duplicates Z: 16 15.576 1.885 0.412 0.881 1.000 0.867 CB 1.094 16 residues pruned to eliminate duplicates Z: 11 2.895 1.394 0.209 0.402 0.900 0.600 CB 0.669 Z: 11 13.236 2.050 0.419 0.549 0.900 0.700 CB 1.525 Z: 24 10.073 1.656 0.438 0.452 0.826 0.522 CB 1.121 24 residues pruned to eliminate duplicates Z: 22 8.929 1.529 0.391 0.436 0.857 0.476 CB 1.142 27 residues pruned to eliminate duplicates Z: 7 3.391 1.558 0.232 0.806 1.000 0.667 CB 0.553 Z: 9 9.150 1.801 0.621 0.665 0.750 0.625 CB 1.269 Z: 12 2.673 1.323 0.568 0.187 0.727 0.455 CB 0.778 10 residues pruned to eliminate duplicates Z: 9 2.855 1.469 0.487 0.342 0.625 0.375 CB 0.879 Z: 10 3.629 1.464 0.395 0.269 0.778 0.444 CB 0.990 10 residues pruned to eliminate duplicates Z: 6 3.997 1.655 -0.159 0.734 1.000 0.600 CB 1.041 6 residues pruned to eliminate duplicates Z: 6 6.092 1.519 0.599 0.830 1.000 0.800 N 0.843 6 1.594 1.862 0.591 0.758 1.000 0.800 CB 0.191 ? Z: 8 3.585 1.394 0.438 0.476 0.857 0.714 CB 0.808 Z: 12 12.310 1.837 0.420 0.542 1.000 0.545 CB 1.365 12 residues pruned to eliminate duplicates Z: 8 6.369 1.509 0.812 0.407 0.714 0.429 CB 1.359 Z: 15 7.982 1.669 0.498 0.399 0.786 0.429 CB 1.209 15 residues pruned to eliminate duplicates Z: 6 2.751 1.162 0.080 0.740 0.800 0.800 C 0.988 Z: 8 4.505 1.675 0.129 0.440 0.857 0.571 CB 1.118 6 1.391 1.421 -0.216 0.584 0.800 0.800 N 0.643 ? Z: 7 6.231 1.681 -0.002 0.708 1.000 0.500 CB 1.255 8 residues pruned to eliminate duplicates Z: 12 12.357 1.750 0.514 0.883 1.000 0.909 CB 1.017 12 residues pruned to eliminate duplicates Z: 6 5.961 1.565 0.414 0.573 1.000 0.400 N 1.122 Z: 11 3.906 1.689 0.563 0.142 0.800 0.500 CB 0.911 Z: 36 17.502 1.902 0.576 0.376 0.914 0.629 CB 1.233 36 residues pruned to eliminate duplicates Z: 10 5.601 1.502 0.875 0.470 0.667 0.444 N 1.025 Z: 11 16.885 1.858 0.968 0.767 0.900 0.900 CB 1.281 11 residues pruned to eliminate duplicates Z: 23 18.422 1.825 0.624 0.639 0.864 0.591 CB 1.347 23 residues pruned to eliminate duplicates Z: 25 11.976 1.801 0.496 0.484 0.875 0.625 CB 1.054 38 residues pruned to eliminate duplicates Z: 7 4.739 1.491 0.308 0.514 1.000 0.833 CB 0.978 Z: 6 3.489 1.228 0.360 0.764 1.000 0.800 CB 0.740 Z: 8 3.894 1.371 0.333 0.494 0.714 0.571 N 1.134 Z: 20 8.353 1.533 0.809 0.419 0.789 0.579 CB 0.952 17 residues pruned to eliminate duplicates Z: 7 4.888 1.460 0.383 0.540 0.833 0.667 CB 1.141 Z: 6 5.509 1.378 0.422 0.819 1.000 0.800 CB 0.954 Z: 9 11.978 1.820 0.982 0.843 1.000 0.750 CB 0.874 9 residues pruned to eliminate duplicates Z: 31 21.027 1.963 0.424 0.617 0.933 0.733 CB 1.318 31 residues pruned to eliminate duplicates Z: 13 4.245 1.468 0.369 0.324 0.667 0.250 N 1.111 7 residues pruned to eliminate duplicates Z: 24 18.397 1.794 0.731 0.730 0.826 0.522 CB 1.215 24 residues pruned to eliminate duplicates Z: 16 14.576 1.789 0.556 0.885 1.000 0.733 CB 0.977 16 residues pruned to eliminate duplicates Z: 11 12.330 1.485 0.626 0.859 1.000 0.600 CA 1.188 11 residues pruned to eliminate duplicates Z: 14 8.612 1.702 0.525 0.486 0.923 0.692 CB 1.011 14 residues pruned to eliminate duplicates Z: 7 3.158 1.463 0.419 0.238 0.833 0.333 N 1.010 Z: 11 8.791 1.695 0.313 0.851 0.900 0.700 CB 1.028 11 residues pruned to eliminate duplicates Z: 15 15.386 1.720 0.615 0.777 0.929 0.643 CB 1.248 15 residues pruned to eliminate duplicates Z: 6 5.700 1.499 0.565 0.476 1.000 0.600 CB 1.113 Z: 6 5.538 1.496 0.744 0.809 1.000 0.600 CB 0.725 6 residues pruned to eliminate duplicates Z: 13 11.326 1.605 0.635 0.840 0.917 0.833 CB 1.014 13 residues pruned to eliminate duplicates Z: 47 27.029 1.917 0.623 0.590 0.957 0.717 CB 1.228 47 residues pruned to eliminate duplicates Z: 15 19.446 1.893 0.569 0.777 1.000 0.786 CB 1.370 15 residues pruned to eliminate duplicates Z: 9 4.019 1.598 0.196 0.361 0.875 0.625 CB 0.987 Z: 9 3.440 1.496 0.369 0.349 0.625 0.625 CB 1.119 8 residues pruned to eliminate duplicates Z: 43 13.783 1.654 0.457 0.470 0.833 0.571 CB 1.092 34 residues pruned to eliminate duplicates Z: 11 13.704 1.946 0.567 0.539 1.000 0.900 CB 1.368 11 residues pruned to eliminate duplicates Z: 10 4.639 1.376 0.643 0.371 0.778 0.444 CB 1.009 10 residues pruned to eliminate duplicates Z: 28 26.645 1.850 0.780 0.662 0.926 0.704 CB 1.448 28 residues pruned to eliminate duplicates Z: 6 4.669 1.275 0.568 0.450 1.000 0.600 CB 1.099 6 residues pruned to eliminate duplicates Z: 15 10.904 1.819 0.501 0.447 0.857 0.500 CB 1.315 23 residues pruned to eliminate duplicates Z: 7 2.631 1.436 0.342 0.348 0.667 0.500 CB 0.986 7 residues pruned to eliminate duplicates Z: 6 5.143 1.426 0.422 0.458 1.000 0.800 CB 1.183 Z: 17 10.030 1.668 0.564 0.563 0.875 0.625 CB 1.034 20 residues pruned to eliminate duplicates Z: 9 3.655 1.455 0.434 0.229 0.750 0.375 N 1.133 Z: 6 7.655 1.641 1.259 0.490 0.800 0.600 N 1.167 Z: 8 8.278 1.780 0.339 0.532 0.857 0.571 CA 1.484 8 residues pruned to eliminate duplicates Z: 9 8.441 1.728 0.574 0.840 1.000 1.000 CB 0.819 9 residues pruned to eliminate duplicates Z: 18 11.410 1.662 0.837 0.572 0.824 0.529 CB 1.026 18 residues pruned to eliminate duplicates Z: 11 3.747 1.522 0.150 0.401 0.900 0.600 CB 0.835 11 residues pruned to eliminate duplicates Z: 7 3.921 1.541 0.535 0.416 0.667 0.500 O 1.109 Z: 6 5.850 1.736 0.690 0.646 0.600 0.400 CB 1.297 6 residues pruned to eliminate duplicates Z: 6 2.450 1.305 -0.013 0.387 1.000 0.400 CB 0.959 Z: 6 2.312 1.358 0.817 0.231 0.800 0.200 N 0.716 Z: 7 2.262 1.613 0.241 0.243 0.667 0.333 CB 0.932 Z: 9 2.003 1.527 0.039 0.173 0.750 0.375 CB 0.884 Z: 6 3.739 1.598 1.015 0.886 1.000 1.000 CB 0.375 Z: 7 7.159 1.607 0.818 0.845 1.000 0.667 CB 0.744 7 residues pruned to eliminate duplicates Z: 11 6.873 1.669 0.285 0.421 0.800 0.600 CA 1.376 6 1.758 1.513 -0.102 0.494 0.800 0.400 CB 0.728 ? Z: 8 10.533 1.638 0.846 0.683 1.000 0.571 CA 1.112 8 residues pruned to eliminate duplicates Z: 9 4.710 1.589 0.485 0.585 1.000 0.625 CB 0.651 9 residues pruned to eliminate duplicates Z: 42 24.310 1.906 0.586 0.508 0.902 0.610 CB 1.380 42 residues pruned to eliminate duplicates 6 1.963 1.349 0.548 0.299 0.600 0.600 CB 0.876 ? 6 1.589 1.314 0.542 0.358 0.600 0.600 CB 0.681 ? Z: 7 5.243 1.715 0.050 0.500 1.000 0.333 CB 1.188 Z: 34 17.510 1.687 0.571 0.546 0.939 0.667 CB 1.170 34 residues pruned to eliminate duplicates Z: 9 2.907 1.388 0.581 0.412 0.500 0.500 CB 1.027 Z: 7 6.159 1.570 0.188 0.789 0.833 0.500 CB 1.255 Z: 8 4.205 1.719 0.271 0.457 0.714 0.571 CB 1.064 Z: 15 16.277 1.909 0.638 0.864 0.929 0.857 CB 1.098 15 residues pruned to eliminate duplicates Z: 15 20.564 1.996 0.946 0.586 0.929 0.714 CB 1.403 15 residues pruned to eliminate duplicates Z: 16 17.675 1.856 0.590 0.838 0.933 0.733 CB 1.238 16 residues pruned to eliminate duplicates Z: 13 5.314 1.570 0.448 0.247 0.667 0.417 N 1.355 7 residues pruned to eliminate duplicates Z: 11 11.600 1.623 0.683 0.808 1.000 0.700 CB 1.027 12 residues pruned to eliminate duplicates Z: 8 3.960 1.680 0.321 0.303 0.714 0.286 CB 1.175 12 residues pruned to eliminate duplicates Z: 12 24.993 1.987 1.030 0.910 1.000 0.818 CB 1.325 12 residues pruned to eliminate duplicates Z: 6 2.741 1.359 0.094 0.431 0.800 0.800 CA 1.107 Z: 6 7.177 1.554 0.632 0.838 1.000 1.000 CB 0.946 6 residues pruned to eliminate duplicates Z: 33 19.625 1.702 0.615 0.562 0.938 0.750 CB 1.268 33 residues pruned to eliminate duplicates Z: 7 3.263 1.606 0.143 0.781 1.000 0.667 CB 0.566 7 residues pruned to eliminate duplicates 6 1.591 1.181 0.485 0.391 0.600 0.400 CB 0.759 ? Z: 6 6.237 1.706 0.621 0.874 1.000 1.000 CB 0.733 7 residues pruned to eliminate duplicates Z: 6 2.164 1.261 0.670 0.298 0.800 0.800 CB 0.720 Z: 12 13.299 1.700 0.786 0.726 0.909 0.545 CB 1.185 12 residues pruned to eliminate duplicates Z: 8 2.937 1.179 0.360 0.363 1.000 0.143 O 0.802 Z: 36 20.283 1.861 0.412 0.595 0.943 0.743 CB 1.264 36 residues pruned to eliminate duplicates Z: 6 2.293 1.353 0.424 0.274 0.800 0.600 CA 0.859 Z: 8 7.820 1.809 0.818 0.847 1.000 0.857 CB 0.667 8 residues pruned to eliminate duplicates Z: 11 4.204 1.379 0.697 0.327 0.800 0.500 CB 0.859 Z: 10 4.596 1.469 0.635 0.481 0.778 0.667 N 0.836 10 residues pruned to eliminate duplicates Z: 29 19.529 1.783 0.621 0.586 0.893 0.679 CB 1.317 29 residues pruned to eliminate duplicates Z: 7 4.963 1.505 0.676 0.394 0.833 0.500 CB 1.079 Z: 12 11.803 1.803 0.589 0.471 0.909 0.455 CB 1.408 13 residues pruned to eliminate duplicates Z: 11 9.711 1.469 0.746 0.754 0.900 0.700 CB 1.061 7 residues pruned to eliminate duplicates Z: 7 9.053 1.714 0.399 0.868 1.000 1.000 CA 1.127 7 residues pruned to eliminate duplicates Z: 8 4.581 1.123 0.930 0.634 1.000 0.714 C 0.705 Z: 11 3.312 1.233 0.614 0.337 0.800 0.300 CB 0.786 Z: 17 18.562 1.884 0.558 0.863 0.875 0.750 CB 1.326 17 residues pruned to eliminate duplicates Z: 6 3.324 1.433 0.355 0.597 0.800 0.600 CB 0.872 Z: 13 2.669 1.373 0.484 0.340 0.667 0.417 CB 0.675 Z: 6 6.176 1.688 0.161 0.723 1.000 0.800 CB 1.152 4 residues pruned to eliminate duplicates Z: 6 3.718 1.552 0.141 0.432 0.800 0.600 CB 1.259 8 1.732 1.250 0.581 0.254 0.714 0.429 O 0.615 ? Z: 17 16.334 1.787 0.573 0.603 0.875 0.625 CB 1.506 17 residues pruned to eliminate duplicates Z: 12 8.623 1.545 0.770 0.517 0.909 0.636 CB 1.029 Z: 10 6.386 1.410 0.314 0.564 1.000 0.667 CB 1.080 8 residues pruned to eliminate duplicates Z: 21 10.756 1.672 0.321 0.527 0.900 0.400 CB 1.178 21 residues pruned to eliminate duplicates Z: 14 24.351 2.073 0.578 0.867 0.923 0.923 CB 1.636 14 residues pruned to eliminate duplicates Z: 13 10.499 1.488 0.848 0.654 0.917 0.583 N 1.042 13 residues pruned to eliminate duplicates Z: 15 10.681 1.616 0.529 0.799 0.857 0.714 CB 1.037 15 residues pruned to eliminate duplicates Z: 9 5.590 1.360 0.903 0.518 0.750 0.500 CA 1.001 9 residues pruned to eliminate duplicates Z: 10 3.680 1.353 0.493 0.191 0.778 0.333 CA 1.131 Z: 7 6.557 1.527 0.543 0.387 1.000 0.500 CB 1.281 Z: 8 3.348 1.613 0.349 0.193 0.857 0.429 CB 0.979 8 residues pruned to eliminate duplicates Z: 7 5.654 1.512 0.474 0.699 0.833 0.833 CA 1.037 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 14.354 1.910 0.587 0.492 0.867 0.467 CB 1.423 26 residues pruned to eliminate duplicates Z: 10 12.534 1.732 0.634 0.762 1.000 0.333 CB 1.170 10 residues pruned to eliminate duplicates Z: 8 13.813 1.782 0.737 0.673 1.000 0.286 CA 1.437 8 residues pruned to eliminate duplicates Z: 15 14.130 1.816 0.620 0.587 1.000 0.286 CB 1.181 15 residues pruned to eliminate duplicates Z: 15 12.302 1.923 0.582 0.428 0.857 0.357 CB 1.359 15 residues pruned to eliminate duplicates Z: 9 7.733 1.800 0.468 0.622 0.750 0.500 CB 1.230 9 residues pruned to eliminate duplicates Z: 7 4.227 1.617 0.442 0.315 0.833 0.333 CB 1.090 7 residues pruned to eliminate duplicates Z: 18 10.671 1.689 0.684 0.458 0.824 0.412 CB 1.153 18 residues pruned to eliminate duplicates Z: 9 7.355 1.693 0.664 0.497 0.750 0.625 CB 1.234 8 residues pruned to eliminate duplicates Z: 6 4.635 1.428 0.391 0.353 1.000 0.600 CA 1.224 6 residues pruned to eliminate duplicates Z: 13 10.374 1.771 0.231 0.567 0.917 0.667 CB 1.404 12 residues pruned to eliminate duplicates Z: 6 5.923 1.730 0.409 0.352 0.800 0.400 N 1.595 Z: 6 5.091 1.539 0.692 0.579 0.600 0.400 N 1.351 11 residues pruned to eliminate duplicates Z: 21 17.172 1.810 0.310 0.701 0.950 0.800 CB 1.419 21 residues pruned to eliminate duplicates Z: 30 21.841 1.970 0.439 0.608 0.966 0.793 CB 1.337 30 residues pruned to eliminate duplicates Z: 31 20.316 1.967 0.408 0.571 0.933 0.733 CB 1.340 31 residues pruned to eliminate duplicates Z: 30 20.569 1.962 0.414 0.624 0.931 0.828 CB 1.315 30 residues pruned to eliminate duplicates Z: 28 21.115 1.989 0.417 0.591 0.963 0.741 CB 1.373 28 residues pruned to eliminate duplicates Z: 21 16.707 1.950 0.324 0.580 0.850 0.650 CB 1.576 21 residues pruned to eliminate duplicates Z: 28 19.371 1.950 0.397 0.538 0.926 0.593 CB 1.424 32 residues pruned to eliminate duplicates Z: 13 21.468 2.019 0.359 0.921 1.000 0.833 CB 1.590 13 residues pruned to eliminate duplicates Z: 27 20.290 1.975 0.426 0.604 0.962 0.692 CB 1.331 27 residues pruned to eliminate duplicates Z: 27 20.238 1.937 0.520 0.588 0.923 0.654 CB 1.343 27 residues pruned to eliminate duplicates Z: 23 21.668 1.984 0.484 0.653 1.000 0.955 CB 1.361 23 residues pruned to eliminate duplicates Z: 28 19.275 1.960 0.536 0.589 0.926 0.704 CB 1.223 28 residues pruned to eliminate duplicates Z: 35 21.759 1.886 0.519 0.576 0.941 0.647 CB 1.286 35 residues pruned to eliminate duplicates Z: 28 20.707 1.954 0.527 0.594 0.963 0.815 CB 1.267 28 residues pruned to eliminate duplicates Z: 28 24.978 1.962 0.549 0.663 0.963 0.741 CB 1.413 28 residues pruned to eliminate duplicates Z: 21 11.617 1.760 0.514 0.581 0.850 0.400 CB 1.061 21 residues pruned to eliminate duplicates Z: 34 22.172 1.978 0.487 0.552 0.909 0.727 CB 1.372 34 residues pruned to eliminate duplicates Z: 51 24.982 1.947 0.564 0.490 0.900 0.600 CB 1.302 51 residues pruned to eliminate duplicates Z: 8 8.923 1.819 0.695 0.592 0.714 0.429 CA 1.402 8 residues pruned to eliminate duplicates Z: 9 15.007 1.913 0.759 0.606 1.000 0.750 CA 1.425 9 residues pruned to eliminate duplicates Z: 18 16.977 1.937 0.763 0.488 0.941 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 16 16.671 1.937 1.257 0.428 0.933 0.533 CB 1.138 16 residues pruned to eliminate duplicates Z: 6 12.096 1.958 0.854 0.586 1.000 0.600 CA 1.371 6 residues pruned to eliminate duplicates Z: 19 18.940 1.878 1.030 0.539 0.944 0.667 CB 1.193 18 residues pruned to eliminate duplicates Z: 8 9.816 1.831 0.788 0.539 0.857 0.571 CA 1.272 8 residues pruned to eliminate duplicates Z: 16 13.535 1.902 1.007 0.475 0.867 0.667 CB 1.084 16 residues pruned to eliminate duplicates Z: 18 15.127 1.886 1.018 0.504 0.882 0.706 CB 1.088 18 residues pruned to eliminate duplicates Z: 18 13.948 1.915 0.877 0.459 0.941 0.647 CB 1.043 18 residues pruned to eliminate duplicates Z: 7 7.029 1.922 0.998 0.552 0.833 0.833 CB 0.852 7 residues pruned to eliminate duplicates Z: 17 13.922 1.890 0.723 0.509 1.000 0.688 CB 1.059 17 residues pruned to eliminate duplicates Z: 17 12.372 1.925 0.884 0.468 0.812 0.625 CB 1.084 17 residues pruned to eliminate duplicates Z: 9 6.328 1.811 0.620 0.281 0.750 0.500 CB 1.302 Z: 6 2.699 1.480 0.813 0.310 0.600 0.400 CA 0.926 4 residues pruned to eliminate duplicates Z: 10 4.206 1.628 0.438 0.347 0.778 0.556 CB 0.909 6 residues pruned to eliminate duplicates Z: 10 5.044 1.638 0.413 0.394 0.889 0.444 CB 0.915 10 residues pruned to eliminate duplicates Z: 6 5.602 1.690 0.326 0.515 1.000 0.400 CB 1.101 6 residues pruned to eliminate duplicates Z: 7 7.105 1.895 0.592 0.297 1.000 0.500 CB 1.207 11 residues pruned to eliminate duplicates Z: 8 4.087 1.613 0.149 0.349 1.000 0.571 CB 0.981 8 residues pruned to eliminate duplicates Z: 13 11.331 1.989 0.412 0.535 1.000 0.667 CB 1.125 13 residues pruned to eliminate duplicates Z: 22 9.044 1.782 0.443 0.334 0.857 0.524 CB 1.074 22 residues pruned to eliminate duplicates Z: 23 13.353 1.851 0.739 0.412 0.955 0.591 CB 1.016 31 residues pruned to eliminate duplicates Z: 8 12.837 1.867 0.911 0.860 1.000 0.857 CB 1.000 8 residues pruned to eliminate duplicates Z: 15 12.147 1.811 0.831 0.435 0.929 0.643 CB 1.127 15 residues pruned to eliminate duplicates Z: 14 11.735 1.942 0.650 0.493 0.846 0.692 CB 1.210 14 residues pruned to eliminate duplicates Z: 23 15.949 1.933 0.798 0.391 0.955 0.591 CB 1.151 23 residues pruned to eliminate duplicates Z: 15 12.710 1.923 0.591 0.498 0.929 0.714 CB 1.199 15 residues pruned to eliminate duplicates Z: 14 14.149 1.951 0.661 0.505 1.000 0.692 CB 1.206 14 residues pruned to eliminate duplicates Z: 13 14.674 1.905 0.544 0.544 1.000 0.667 CB 1.379 13 residues pruned to eliminate duplicates Z: 15 13.503 1.837 0.539 0.474 0.929 0.429 CB 1.411 15 residues pruned to eliminate duplicates Z: 34 15.250 1.789 0.483 0.530 0.788 0.515 CB 1.233 34 residues pruned to eliminate duplicates Z: 16 11.666 1.817 0.694 0.405 0.933 0.667 CB 1.158 16 residues pruned to eliminate duplicates Z: 14 10.843 1.850 0.570 0.483 0.846 0.692 CB 1.245 14 residues pruned to eliminate duplicates Z: 39 23.053 1.836 0.609 0.487 0.895 0.579 CB 1.434 39 residues pruned to eliminate duplicates Z: 22 18.208 1.886 0.589 0.519 0.857 0.571 CB 1.518 22 residues pruned to eliminate duplicates Z: 27 18.991 1.842 0.536 0.534 0.885 0.577 CB 1.440 27 residues pruned to eliminate duplicates Z: 25 13.784 1.739 0.491 0.546 0.792 0.333 CB 1.310 25 residues pruned to eliminate duplicates Z: 28 14.598 1.782 0.402 0.492 0.815 0.444 CB 1.391 28 residues pruned to eliminate duplicates Z: 57 21.668 1.844 0.488 0.477 0.857 0.518 CB 1.260 57 residues pruned to eliminate duplicates Z: 21 12.109 1.772 0.550 0.475 0.850 0.400 CB 1.190 21 residues pruned to eliminate duplicates Z: 37 21.399 1.836 0.649 0.568 0.917 0.500 CB 1.203 37 residues pruned to eliminate duplicates Z: 19 10.569 1.780 0.429 0.473 0.833 0.333 CB 1.207 19 residues pruned to eliminate duplicates Z: 29 16.005 1.787 0.517 0.466 0.929 0.536 CB 1.243 29 residues pruned to eliminate duplicates Z: 22 18.841 1.765 0.600 0.634 1.000 0.810 CB 1.283 22 residues pruned to eliminate duplicates Z: 33 16.807 1.791 0.629 0.533 0.812 0.500 CB 1.214 33 residues pruned to eliminate duplicates Z: 29 16.166 1.758 0.633 0.434 0.821 0.607 CB 1.386 29 residues pruned to eliminate duplicates Z: 25 13.069 1.786 0.471 0.377 0.792 0.583 CB 1.463 25 residues pruned to eliminate duplicates Z: 20 19.135 1.867 0.764 0.653 0.947 0.474 CB 1.221 20 residues pruned to eliminate duplicates Z: 22 15.738 1.841 0.723 0.541 0.810 0.619 CB 1.285 22 residues pruned to eliminate duplicates Z: 21 20.538 1.935 0.617 0.693 0.900 0.650 CB 1.367 21 residues pruned to eliminate duplicates Z: 18 22.176 1.975 0.551 0.720 0.941 0.706 CB 1.530 18 residues pruned to eliminate duplicates Z: 20 20.345 1.948 0.524 0.655 0.895 0.737 CB 1.521 20 residues pruned to eliminate duplicates Z: 31 18.336 1.851 0.365 0.566 0.900 0.733 CB 1.381 31 residues pruned to eliminate duplicates Z: 19 21.552 1.958 0.573 0.699 0.889 0.722 CB 1.548 19 residues pruned to eliminate duplicates Z: 26 19.687 1.952 0.540 0.587 0.880 0.600 CB 1.370 26 residues pruned to eliminate duplicates Z: 32 21.623 1.861 0.685 0.555 0.903 0.581 CB 1.300 32 residues pruned to eliminate duplicates Z: 29 21.345 1.869 0.594 0.595 0.929 0.679 CB 1.332 29 residues pruned to eliminate duplicates Z: 20 15.752 1.860 0.626 0.503 1.000 0.526 CB 1.192 20 residues pruned to eliminate duplicates Z: 38 21.577 1.832 0.552 0.538 0.919 0.622 CB 1.308 38 residues pruned to eliminate duplicates Z: 27 20.413 1.955 0.306 0.628 0.962 0.769 CB 1.446 27 residues pruned to eliminate duplicates Z: 46 25.134 1.866 0.438 0.553 0.933 0.622 CB 1.421 46 residues pruned to eliminate duplicates Z: 30 23.808 1.910 0.693 0.581 0.931 0.655 CB 1.359 30 residues pruned to eliminate duplicates Z: 29 20.539 1.940 0.460 0.567 0.929 0.679 CB 1.383 29 residues pruned to eliminate duplicates Z: 18 11.035 1.877 0.578 0.423 0.765 0.647 CB 1.280 18 residues pruned to eliminate duplicates Z: 28 15.482 1.825 0.627 0.455 0.852 0.444 CB 1.233 28 residues pruned to eliminate duplicates Z: 32 20.284 1.893 0.482 0.589 0.903 0.710 CB 1.320 32 residues pruned to eliminate duplicates Z: 40 20.840 1.950 0.497 0.477 0.846 0.641 CB 1.382 51 residues pruned to eliminate duplicates Z: 8 5.469 1.459 0.646 0.364 1.000 0.571 CB 0.997 Z: 40 21.253 1.967 0.455 0.457 0.897 0.538 CB 1.384 48 residues pruned to eliminate duplicates Z: 42 14.927 1.939 0.458 0.345 0.756 0.488 CB 1.290 42 residues pruned to eliminate duplicates Z: 12 5.936 2.038 0.224 0.265 0.818 0.545 CB 1.147 12 residues pruned to eliminate duplicates Z: 16 7.565 1.891 0.250 0.363 0.933 0.667 CB 1.025 16 residues pruned to eliminate duplicates Z: 11 11.304 1.989 0.448 0.475 0.900 0.300 CB 1.414 11 residues pruned to eliminate duplicates Z: 38 15.827 1.842 0.514 0.425 0.946 0.541 CB 1.066 38 residues pruned to eliminate duplicates Z: 38 23.615 1.962 0.568 0.580 0.946 0.676 CB 1.235 38 residues pruned to eliminate duplicates Z: 31 13.665 1.874 0.424 0.400 0.867 0.533 CB 1.199 31 residues pruned to eliminate duplicates Z: 63 24.382 1.928 0.414 0.531 0.919 0.597 CB 1.198 63 residues pruned to eliminate duplicates Z: 92 31.993 1.920 0.472 0.521 0.912 0.593 CB 1.275 98 residues pruned to eliminate duplicates Z: 49 23.498 1.978 0.473 0.488 0.896 0.583 CB 1.315 49 residues pruned to eliminate duplicates Z: 56 21.395 1.913 0.455 0.518 0.909 0.509 CB 1.120 56 residues pruned to eliminate duplicates Z: 41 19.733 1.911 0.468 0.553 0.925 0.575 CB 1.141 79 residues pruned to eliminate duplicates Z: 28 22.417 1.930 0.616 0.631 0.963 0.704 CB 1.270 28 residues pruned to eliminate duplicates Z: 46 25.316 1.933 0.539 0.585 0.956 0.644 CB 1.224 46 residues pruned to eliminate duplicates Z: 25 23.117 1.984 0.534 0.681 1.000 0.708 CB 1.313 25 residues pruned to eliminate duplicates Z: 56 25.287 1.934 0.524 0.550 0.927 0.582 CB 1.188 56 residues pruned to eliminate duplicates Z: 55 24.016 1.921 0.512 0.472 0.889 0.574 CB 1.302 55 residues pruned to eliminate duplicates Z: 24 21.839 2.014 0.444 0.711 0.957 0.696 CB 1.353 24 residues pruned to eliminate duplicates Z: 25 21.065 1.969 0.476 0.688 0.958 0.667 CB 1.299 25 residues pruned to eliminate duplicates Z: 43 20.446 1.865 0.524 0.561 0.976 0.667 CB 1.071 43 residues pruned to eliminate duplicates Z: 40 19.242 1.891 0.399 0.544 0.974 0.615 CB 1.145 40 residues pruned to eliminate duplicates Z: 25 25.624 1.981 0.685 0.692 1.000 0.792 CB 1.315 25 residues pruned to eliminate duplicates Z: 17 16.522 1.935 0.473 0.707 1.000 0.750 CB 1.201 17 residues pruned to eliminate duplicates Z: 46 24.060 1.917 0.542 0.550 0.889 0.622 CB 1.299 46 residues pruned to eliminate duplicates Z: 33 24.713 1.928 0.587 0.601 1.000 0.688 CB 1.298 33 residues pruned to eliminate duplicates Z: 45 22.284 1.907 0.474 0.574 0.932 0.614 CB 1.194 45 residues pruned to eliminate duplicates Z: 58 26.238 1.937 0.569 0.522 0.912 0.544 CB 1.226 58 residues pruned to eliminate duplicates Z: 45 25.794 1.931 0.667 0.566 0.909 0.727 CB 1.247 45 residues pruned to eliminate duplicates Z: 29 18.971 1.858 0.796 0.579 0.929 0.714 CB 1.072 29 residues pruned to eliminate duplicates Z: 34 22.570 1.859 0.742 0.566 0.939 0.727 CB 1.211 34 residues pruned to eliminate duplicates Z: 35 25.142 1.909 0.670 0.621 0.971 0.794 CB 1.243 35 residues pruned to eliminate duplicates Z: 37 23.757 1.914 0.593 0.593 0.944 0.750 CB 1.258 37 residues pruned to eliminate duplicates Z: 46 25.159 1.915 0.565 0.605 0.889 0.644 CB 1.274 46 residues pruned to eliminate duplicates Z: 100 36.599 1.921 0.515 0.549 0.929 0.636 CB 1.297 100 residues pruned to eliminate duplicates Z: 47 27.998 1.917 0.574 0.591 0.957 0.565 CB 1.311 47 residues pruned to eliminate duplicates Z: 45 29.253 1.948 0.669 0.590 0.955 0.705 CB 1.303 45 residues pruned to eliminate duplicates Z: 46 26.644 1.907 0.600 0.576 0.933 0.578 CB 1.296 46 residues pruned to eliminate duplicates Z: 46 23.235 1.935 0.542 0.540 0.867 0.622 CB 1.287 46 residues pruned to eliminate duplicates Z: 45 20.991 1.902 0.526 0.530 0.909 0.591 CB 1.165 45 residues pruned to eliminate duplicates Z: 39 23.645 1.931 0.463 0.590 0.947 0.737 CB 1.314 39 residues pruned to eliminate duplicates Z: 50 22.277 1.873 0.593 0.465 0.939 0.592 CB 1.176 50 residues pruned to eliminate duplicates Z: 45 22.875 1.871 0.565 0.503 0.909 0.614 CB 1.291 45 residues pruned to eliminate duplicates Z: 46 24.513 1.860 0.647 0.552 0.956 0.667 CB 1.187 46 residues pruned to eliminate duplicates Z: 7 4.587 1.770 0.013 0.645 1.000 0.167 CB 0.912 Z: 7 5.322 1.682 0.684 0.549 1.000 0.500 CB 0.731 6 residues pruned to eliminate duplicates Z: 7 3.127 1.572 0.292 0.508 1.000 0.833 CB 0.624 Z: 7 4.040 1.429 1.051 0.324 0.833 0.500 CB 0.820 7 residues pruned to eliminate duplicates Z: 17 17.874 1.794 0.976 0.538 0.938 0.688 CB 1.295 22 residues pruned to eliminate duplicates Z: 9 14.174 1.780 1.048 0.767 0.875 0.500 CB 1.240 9 residues pruned to eliminate duplicates Z: 15 5.494 1.631 0.422 0.280 0.857 0.214 CB 0.947 15 residues pruned to eliminate duplicates Z: 9 12.733 1.851 0.505 0.628 1.000 0.625 CB 1.433 9 residues pruned to eliminate duplicates Z: 10 15.852 1.879 0.638 0.874 0.889 0.778 CB 1.406 10 residues pruned to eliminate duplicates Z: 19 14.372 1.804 0.415 0.624 0.944 0.722 CB 1.251 20 residues pruned to eliminate duplicates Z: 12 19.434 1.731 0.962 0.888 1.000 0.636 CB 1.243 12 residues pruned to eliminate duplicates Z: 22 12.643 1.739 0.704 0.398 0.810 0.476 CB 1.280 22 residues pruned to eliminate duplicates Z: 13 16.471 1.792 0.996 0.757 0.833 0.500 CB 1.269 13 residues pruned to eliminate duplicates Z: 25 10.923 1.603 0.695 0.457 0.792 0.500 CB 1.084 25 residues pruned to eliminate duplicates Z: 14 15.262 1.658 0.855 0.829 0.923 0.846 CB 1.122 14 residues pruned to eliminate duplicates Z: 12 22.627 1.745 1.030 0.885 1.000 0.909 CB 1.390 12 residues pruned to eliminate duplicates Z: 16 25.034 1.822 1.040 0.890 1.000 0.800 CB 1.251 Z: 16 20.541 1.819 0.787 0.904 1.000 0.733 CB 1.162 16 residues pruned to eliminate duplicates Z: 16 24.343 1.948 0.678 0.860 1.000 0.800 CB 1.413 16 residues pruned to eliminate duplicates Z: 22 22.409 1.868 0.822 0.717 1.000 0.810 CB 1.181 16 residues pruned to eliminate duplicates Z: 16 23.315 1.812 0.990 0.900 1.000 0.800 CB 1.193 16 residues pruned to eliminate duplicates Z: 21 18.066 1.883 0.746 0.742 0.900 0.700 CB 1.099 21 residues pruned to eliminate duplicates Z: 20 20.032 1.880 0.759 0.696 1.000 0.526 CB 1.162 20 residues pruned to eliminate duplicates Z: 14 19.061 1.931 0.829 0.840 1.000 0.615 CB 1.117 14 residues pruned to eliminate duplicates Z: 16 15.619 1.801 0.822 0.759 0.867 0.467 CB 1.126 16 residues pruned to eliminate duplicates Z: 16 19.438 1.901 0.811 0.804 0.933 0.667 CB 1.198 16 residues pruned to eliminate duplicates Z: 21 19.120 1.882 0.717 0.734 0.900 0.800 CB 1.191 21 residues pruned to eliminate duplicates Z: 15 18.297 1.942 0.725 0.744 0.929 0.786 CB 1.263 15 residues pruned to eliminate duplicates Z: 21 20.042 1.872 0.831 0.709 0.950 0.800 CB 1.139 21 residues pruned to eliminate duplicates Z: 20 19.844 1.894 0.948 0.742 0.895 0.789 CB 1.110 20 residues pruned to eliminate duplicates Z: 22 16.140 1.850 0.745 0.612 0.857 0.762 CB 1.144 22 residues pruned to eliminate duplicates Z: 21 16.655 1.842 0.699 0.667 0.900 0.600 CB 1.133 21 residues pruned to eliminate duplicates Z: 15 5.992 1.593 0.306 0.491 0.857 0.357 CB 0.906 15 residues pruned to eliminate duplicates Z: 20 19.771 1.882 0.634 0.711 1.000 0.737 CB 1.218 20 residues pruned to eliminate duplicates Z: 10 9.485 1.692 0.483 0.739 1.000 0.667 CB 1.017 6 residues pruned to eliminate duplicates Z: 7 7.660 1.662 0.422 0.624 0.833 0.333 CB 1.414 6 residues pruned to eliminate duplicates Z: 6 9.855 1.854 0.976 0.412 1.000 0.400 CB 1.319 6 residues pruned to eliminate duplicates Z: 16 25.138 2.084 1.085 0.664 0.933 0.800 CB 1.375 16 residues pruned to eliminate duplicates Z: 19 22.536 1.973 0.982 0.562 0.944 0.778 CB 1.355 19 residues pruned to eliminate duplicates Z: 7 3.162 1.220 0.802 0.238 0.833 0.333 CA 0.956 Z: 6 3.859 1.350 0.738 0.342 1.000 0.800 CA 0.873 5 residues pruned to eliminate duplicates Z: 7 2.023 1.362 0.401 0.338 0.667 0.333 CA 0.774 Z: 17 20.949 1.999 0.901 0.560 1.000 0.750 CB 1.300 32 residues pruned to eliminate duplicates Z: 18 19.642 1.923 0.885 0.577 0.882 0.588 CB 1.383 18 residues pruned to eliminate duplicates Z: 18 15.527 1.701 0.663 0.659 1.000 0.706 CB 1.148 18 residues pruned to eliminate duplicates Z: 21 11.605 1.697 0.333 0.536 0.950 0.800 CB 1.165 21 residues pruned to eliminate duplicates Z: 28 13.193 1.677 0.363 0.621 0.963 0.704 CB 1.029 28 residues pruned to eliminate duplicates Z: 17 9.465 1.696 0.367 0.479 0.875 0.688 CB 1.192 17 residues pruned to eliminate duplicates Z: 26 13.033 1.725 0.525 0.535 0.920 0.560 CB 1.041 26 residues pruned to eliminate duplicates Z: 24 15.901 1.685 0.573 0.665 0.957 0.826 CB 1.123 24 residues pruned to eliminate duplicates Z: 30 16.762 1.709 0.448 0.621 0.966 0.724 CB 1.163 29 residues pruned to eliminate duplicates Z: 16 17.822 1.689 0.636 0.828 0.933 0.800 CB 1.343 16 residues pruned to eliminate duplicates Z: 15 12.645 1.718 0.625 0.651 0.857 0.714 CB 1.227 15 residues pruned to eliminate duplicates Z: 18 14.940 1.734 0.534 0.648 0.941 0.765 CB 1.261 18 residues pruned to eliminate duplicates Z: 12 8.063 1.682 0.437 0.442 1.000 0.545 CB 1.067 12 residues pruned to eliminate duplicates Z: 27 17.999 1.792 0.605 0.557 0.923 0.615 CB 1.257 30 residues pruned to eliminate duplicates Z: 16 20.338 1.713 0.728 0.755 1.000 0.733 CB 1.414 16 residues pruned to eliminate duplicates Z: 39 17.888 1.713 0.419 0.560 0.947 0.684 CB 1.188 39 residues pruned to eliminate duplicates Z: 24 12.389 1.692 0.678 0.505 0.913 0.565 CB 0.992 23 residues pruned to eliminate duplicates 6 1.740 1.420 0.166 0.343 0.800 0.600 CB 0.697 ? Z: 8 5.974 1.705 0.554 0.530 0.714 0.429 CB 1.159 8 residues pruned to eliminate duplicates Z: 15 8.727 1.735 0.380 0.424 0.786 0.357 CB 1.342 14 residues pruned to eliminate duplicates Z: 7 5.971 1.621 0.882 0.584 0.667 0.667 CB 1.106 6 residues pruned to eliminate duplicates Z: 7 5.840 1.608 0.508 0.607 0.833 0.500 CB 1.066 7 residues pruned to eliminate duplicates Z: 9 7.980 1.741 0.788 0.545 0.875 0.625 CB 0.991 9 residues pruned to eliminate duplicates Z: 7 5.224 1.696 0.437 0.559 1.000 0.833 CB 0.826 Z: 13 12.908 1.749 0.475 0.894 1.000 0.917 CB 1.036 13 residues pruned to eliminate duplicates Z: 13 10.548 1.711 0.460 0.728 0.917 0.583 CB 1.082 13 residues pruned to eliminate duplicates Z: 17 11.627 1.683 0.412 0.714 1.000 0.688 CB 1.008 17 residues pruned to eliminate duplicates Z: 16 12.425 1.712 0.438 0.686 1.000 0.667 CB 1.098 16 residues pruned to eliminate duplicates Z: 25 11.961 1.713 0.405 0.560 0.833 0.583 CB 1.149 18 residues pruned to eliminate duplicates Z: 12 12.013 1.738 0.354 0.907 1.000 0.818 CB 1.095 12 residues pruned to eliminate duplicates Z: 24 10.522 1.716 0.352 0.519 0.870 0.609 CB 1.067 30 residues pruned to eliminate duplicates Z: 18 9.298 1.721 0.370 0.542 0.882 0.529 CB 1.041 18 residues pruned to eliminate duplicates Z: 26 12.569 1.673 0.376 0.562 1.000 0.480 CB 1.028 23 residues pruned to eliminate duplicates Z: 13 10.696 1.660 0.628 0.745 0.917 0.667 CB 1.001 13 residues pruned to eliminate duplicates Z: 24 10.325 1.650 0.407 0.560 0.870 0.565 CB 1.006 24 residues pruned to eliminate duplicates Z: 25 16.954 1.717 0.710 0.581 0.917 0.750 CB 1.190 28 residues pruned to eliminate duplicates Z: 15 14.250 1.697 0.668 0.768 0.929 0.714 CB 1.143 15 residues pruned to eliminate duplicates Z: 32 14.682 1.693 0.463 0.520 0.935 0.516 CB 1.116 32 residues pruned to eliminate duplicates Z: 25 14.739 1.751 0.474 0.550 1.000 0.625 CB 1.111 25 residues pruned to eliminate duplicates Z: 24 15.485 1.710 0.503 0.565 1.000 0.739 CB 1.180 24 residues pruned to eliminate duplicates Z: 30 13.814 1.705 0.447 0.498 0.931 0.586 CB 1.119 30 residues pruned to eliminate duplicates Z: 29 15.710 1.726 0.467 0.540 0.929 0.607 CB 1.214 29 residues pruned to eliminate duplicates Z: 26 14.546 1.729 0.475 0.576 0.960 0.600 CB 1.104 26 residues pruned to eliminate duplicates Z: 28 16.454 1.744 0.434 0.572 1.000 0.667 CB 1.181 28 residues pruned to eliminate duplicates Z: 29 13.308 1.659 0.373 0.520 0.964 0.536 CB 1.122 29 residues pruned to eliminate duplicates Z: 28 16.027 1.719 0.555 0.561 0.963 0.630 CB 1.129 28 residues pruned to eliminate duplicates Z: 12 6.352 1.735 0.211 0.312 0.818 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 38 13.901 1.686 0.362 0.475 0.865 0.649 CB 1.180 38 residues pruned to eliminate duplicates Z: 36 15.132 1.700 0.329 0.481 0.857 0.657 CB 1.346 44 residues pruned to eliminate duplicates Z: 6 6.710 1.502 0.587 0.411 1.000 0.200 CA 1.382 6 residues pruned to eliminate duplicates Z: 16 6.087 1.657 0.327 0.357 0.667 0.467 O 1.251 16 residues pruned to eliminate duplicates Z: 10 2.932 1.622 0.235 0.192 0.556 0.222 CB 1.268 10 residues pruned to eliminate duplicates Z: 9 5.545 1.693 0.449 0.443 0.750 0.500 CB 1.130 9 residues pruned to eliminate duplicates Z: 38 16.563 1.727 0.530 0.458 0.919 0.541 CB 1.170 43 residues pruned to eliminate duplicates Z: 6 4.580 1.573 0.564 0.581 0.800 0.400 N 0.963 6 residues pruned to eliminate duplicates Z: 18 8.636 1.675 0.349 0.357 0.824 0.353 CB 1.314 7 residues pruned to eliminate duplicates Z: 9 8.647 1.616 0.562 0.574 0.875 0.500 N 1.288 9 residues pruned to eliminate duplicates Z: 39 15.748 1.718 0.353 0.501 0.842 0.500 CB 1.304 39 residues pruned to eliminate duplicates Z: 9 4.527 1.652 0.299 0.362 0.750 0.625 CB 1.153 9 residues pruned to eliminate duplicates Z: 43 14.858 1.722 0.362 0.455 0.833 0.500 CB 1.229 43 residues pruned to eliminate duplicates Z: 8 3.615 1.708 0.093 0.396 0.714 0.429 CB 1.142 8 residues pruned to eliminate duplicates Z: 8 3.868 1.690 0.221 0.331 0.714 0.429 CB 1.193 8 residues pruned to eliminate duplicates Z: 8 3.957 1.646 0.151 0.455 0.714 0.571 CB 1.157 8 residues pruned to eliminate duplicates Z: 10 5.130 1.653 0.499 0.283 0.778 0.333 CB 1.133 10 residues pruned to eliminate duplicates Z: 8 5.674 1.551 0.524 0.398 0.857 0.571 N 1.179 Z: 7 3.887 1.609 0.524 0.333 0.667 0.167 N 1.165 6 residues pruned to eliminate duplicates Z: 7 5.178 1.518 0.554 0.376 0.833 0.667 CB 1.227 7 residues pruned to eliminate duplicates Z: 23 12.647 1.701 0.584 0.529 0.864 0.727 CB 1.126 29 residues pruned to eliminate duplicates Z: 20 21.005 1.857 0.519 0.778 0.947 0.789 CB 1.411 20 residues pruned to eliminate duplicates Z: 16 9.079 1.779 0.491 0.496 0.800 0.533 CB 1.109 16 residues pruned to eliminate duplicates 7 1.551 1.880 -0.272 0.233 0.500 0.167 CB 1.263 ? Z: 15 14.628 1.825 0.813 0.623 0.857 0.786 CB 1.227 15 residues pruned to eliminate duplicates Z: 17 13.007 1.792 0.668 0.665 0.938 0.625 CB 0.996 17 residues pruned to eliminate duplicates Z: 22 18.235 1.837 0.724 0.673 0.857 0.619 CB 1.249 22 residues pruned to eliminate duplicates Z: 26 17.133 1.819 0.591 0.598 0.880 0.600 CB 1.225 26 residues pruned to eliminate duplicates Z: 17 13.520 1.891 0.352 0.697 0.875 0.625 CB 1.262 17 residues pruned to eliminate duplicates Z: 20 11.530 1.867 0.282 0.516 0.789 0.526 CB 1.378 20 residues pruned to eliminate duplicates Z: 21 15.553 1.855 0.450 0.568 0.900 0.500 CB 1.346 21 residues pruned to eliminate duplicates Z: 15 13.861 1.866 0.833 0.727 0.786 0.571 CB 1.124 15 residues pruned to eliminate duplicates Z: 20 13.962 1.890 0.799 0.574 0.842 0.421 CB 1.042 20 residues pruned to eliminate duplicates Z: 15 18.190 1.951 0.834 0.712 0.857 0.429 CB 1.308 15 residues pruned to eliminate duplicates Z: 14 15.986 1.959 0.838 0.690 0.846 0.538 CB 1.223 14 residues pruned to eliminate duplicates Z: 17 14.381 1.921 0.705 0.606 0.812 0.562 CB 1.222 17 residues pruned to eliminate duplicates Z: 16 17.366 1.956 0.891 0.720 0.800 0.667 CB 1.242 16 residues pruned to eliminate duplicates Z: 27 16.271 1.891 0.829 0.562 0.846 0.538 CB 1.027 27 residues pruned to eliminate duplicates Z: 30 22.136 1.934 0.743 0.565 0.897 0.621 CB 1.278 30 residues pruned to eliminate duplicates Z: 16 15.928 1.846 0.599 0.453 0.933 0.667 CB 1.566 16 residues pruned to eliminate duplicates Z: 18 12.115 1.874 0.491 0.378 0.882 0.588 CB 1.357 18 residues pruned to eliminate duplicates Z: 14 16.073 1.953 0.685 0.445 0.923 0.769 CB 1.552 13 residues pruned to eliminate duplicates Z: 8 7.722 1.657 0.625 0.521 0.857 0.857 CA 1.238 8 residues pruned to eliminate duplicates Z: 50 21.581 1.874 0.486 0.438 0.939 0.612 CB 1.257 53 residues pruned to eliminate duplicates Z: 6 4.731 1.634 0.370 0.400 1.000 0.600 CB 1.050 Z: 67 24.467 1.872 0.486 0.471 0.894 0.591 CB 1.247 73 residues pruned to eliminate duplicates Z: 17 10.548 1.885 0.430 0.277 1.000 0.562 CB 1.259 17 residues pruned to eliminate duplicates Z: 17 5.680 1.712 0.365 0.143 0.812 0.438 CB 1.164 17 residues pruned to eliminate duplicates Z: 16 10.432 1.882 0.297 0.311 0.933 0.667 CB 1.458 16 residues pruned to eliminate duplicates Z: 28 16.579 1.745 0.697 0.568 0.889 0.630 CB 1.135 28 residues pruned to eliminate duplicates Z: 28 12.451 1.808 0.589 0.378 0.852 0.333 CB 1.115 28 residues pruned to eliminate duplicates Z: 30 17.490 1.865 0.530 0.485 0.828 0.621 CB 1.397 30 residues pruned to eliminate duplicates Z: 17 18.845 1.901 0.609 0.800 1.000 0.875 CB 1.185 17 residues pruned to eliminate duplicates Z: 16 14.429 1.976 0.514 0.624 0.800 0.600 CB 1.384 16 residues pruned to eliminate duplicates Z: 18 6.700 1.745 0.271 0.361 0.824 0.353 CB 1.033 18 residues pruned to eliminate duplicates Z: 15 12.915 1.923 0.671 0.581 0.857 0.571 CB 1.160 15 residues pruned to eliminate duplicates Z: 26 15.690 1.860 0.447 0.521 0.880 0.600 CB 1.298 26 residues pruned to eliminate duplicates Z: 29 15.300 1.817 0.599 0.427 0.893 0.607 CB 1.203 29 residues pruned to eliminate duplicates Z: 17 14.564 1.819 0.527 0.621 0.875 0.625 CB 1.336 17 residues pruned to eliminate duplicates Z: 30 17.114 1.905 0.584 0.504 0.862 0.586 CB 1.217 30 residues pruned to eliminate duplicates Z: 21 12.417 1.845 0.550 0.607 0.900 0.800 CB 0.974 21 residues pruned to eliminate duplicates Z: 37 14.766 1.810 0.565 0.521 0.889 0.639 CB 0.958 37 residues pruned to eliminate duplicates Z: 24 18.281 1.841 0.654 0.646 1.000 0.739 CB 1.092 24 residues pruned to eliminate duplicates Z: 26 16.832 1.867 0.653 0.623 0.920 0.640 CB 1.056 26 residues pruned to eliminate duplicates Z: 26 15.780 1.852 0.643 0.597 0.960 0.720 CB 0.985 26 residues pruned to eliminate duplicates Z: 40 21.225 1.851 0.612 0.528 0.949 0.667 CB 1.168 40 residues pruned to eliminate duplicates Z: 29 15.655 1.838 0.607 0.587 0.964 0.643 CB 0.956 29 residues pruned to eliminate duplicates Z: 25 14.842 1.831 0.615 0.637 0.958 0.667 CB 0.940 25 residues pruned to eliminate duplicates Z: 36 16.766 1.860 0.670 0.500 0.886 0.571 CB 1.030 36 residues pruned to eliminate duplicates Z: 41 16.069 1.817 0.526 0.505 0.800 0.450 CB 1.140 41 residues pruned to eliminate duplicates Z: 11 2.368 1.561 0.228 0.287 0.800 0.500 CB 0.621 11 residues pruned to eliminate duplicates Z: 16 9.346 1.765 0.850 0.571 0.867 0.333 CB 0.796 16 residues pruned to eliminate duplicates Z: 11 8.725 1.927 0.245 0.471 1.000 0.600 CB 1.185 11 residues pruned to eliminate duplicates Z: 10 10.405 1.900 0.577 0.430 1.000 0.556 CB 1.244 10 residues pruned to eliminate duplicates Z: 10 8.428 1.948 0.169 0.394 1.000 0.667 CB 1.380 10 residues pruned to eliminate duplicates Z: 11 6.492 1.929 0.310 0.366 0.700 0.600 CB 1.340 11 residues pruned to eliminate duplicates Z: 11 9.062 1.911 0.475 0.382 0.900 0.600 CB 1.281 11 residues pruned to eliminate duplicates Z: 13 7.521 1.763 0.387 0.478 0.833 0.667 CA 1.089 13 residues pruned to eliminate duplicates Z: 16 9.601 1.824 0.500 0.410 0.867 0.467 CB 1.149 24 residues pruned to eliminate duplicates Z: 11 9.307 1.880 0.353 0.516 0.900 0.500 CA 1.265 11 residues pruned to eliminate duplicates Z: 16 14.092 1.841 0.489 0.592 0.933 0.733 CA 1.302 16 residues pruned to eliminate duplicates Z: 15 11.829 1.807 0.548 0.530 0.786 0.643 CA 1.397 15 residues pruned to eliminate duplicates Z: 18 11.756 1.807 0.590 0.478 0.882 0.529 CB 1.150 18 residues pruned to eliminate duplicates Z: 14 8.982 1.745 0.422 0.546 0.769 0.615 CA 1.248 14 residues pruned to eliminate duplicates Z: 13 8.479 1.784 0.274 0.512 0.917 0.417 CB 1.160 9 residues pruned to eliminate duplicates Z: 10 8.225 1.794 0.541 0.675 1.000 0.556 CB 0.844 10 residues pruned to eliminate duplicates Z: 20 7.654 1.604 0.295 0.491 0.842 0.421 CB 1.013 16 residues pruned to eliminate duplicates Z: 10 6.927 1.867 0.041 0.614 0.889 0.333 CB 1.200 10 residues pruned to eliminate duplicates Z: 11 8.816 1.779 0.207 0.594 1.000 0.500 CB 1.186 11 residues pruned to eliminate duplicates Z: 11 5.570 1.715 0.115 0.556 0.800 0.300 CB 1.090 11 residues pruned to eliminate duplicates Z: 23 7.102 1.674 0.293 0.415 0.727 0.182 CB 1.052 26 residues pruned to eliminate duplicates Z: 10 5.368 1.507 0.213 0.756 0.778 0.778 N 1.002 10 residues pruned to eliminate duplicates Z: 11 10.537 1.637 0.783 0.688 0.800 0.400 CB 1.201 11 residues pruned to eliminate duplicates Z: 13 6.581 1.539 0.586 0.578 0.750 0.417 CB 0.963 13 residues pruned to eliminate duplicates Z: 14 5.795 1.474 0.619 0.479 0.615 0.385 CB 1.117 14 residues pruned to eliminate duplicates Z: 19 11.394 1.614 0.409 0.552 0.889 0.500 CB 1.263 19 residues pruned to eliminate duplicates Z: 10 10.860 1.680 0.842 0.683 0.889 0.444 CB 1.112 13 residues pruned to eliminate duplicates Z: 10 16.057 1.746 0.784 0.862 1.000 0.889 CB 1.261 9 residues pruned to eliminate duplicates Z: 12 15.203 1.644 0.844 0.786 1.000 0.818 CB 1.176 11 residues pruned to eliminate duplicates Z: 10 14.552 1.681 0.752 0.859 1.000 0.778 CB 1.212 10 residues pruned to eliminate duplicates Z: 14 15.549 1.623 0.739 0.815 0.923 0.615 CB 1.258 14 residues pruned to eliminate duplicates Z: 15 11.131 1.592 0.540 0.763 0.857 0.786 CB 1.121 15 residues pruned to eliminate duplicates Z: 11 15.359 1.723 0.696 0.875 1.000 0.900 CB 1.208 11 residues pruned to eliminate duplicates Z: 6 2.323 1.518 0.268 0.300 1.000 0.200 CB 0.675 Z: 9 7.513 1.465 0.704 0.603 1.000 0.500 CB 0.965 12 residues pruned to eliminate duplicates Z: 7 5.436 1.502 0.497 0.532 1.000 0.667 CB 0.957 7 residues pruned to eliminate duplicates Z: 8 5.740 1.495 0.477 0.604 1.000 0.429 CB 0.890 8 residues pruned to eliminate duplicates Z: 12 3.397 1.640 0.265 0.348 0.909 0.545 CB 0.641 12 residues pruned to eliminate duplicates Z: 11 4.268 1.653 0.321 0.246 1.000 0.500 CB 0.829 11 residues pruned to eliminate duplicates Z: 15 3.855 1.628 0.255 0.337 0.857 0.500 CB 0.703 15 residues pruned to eliminate duplicates Z: 11 4.709 1.689 0.090 0.291 1.000 0.400 CB 1.023 11 residues pruned to eliminate duplicates Z: 13 3.447 1.556 0.072 0.235 0.833 0.333 CB 0.975 13 residues pruned to eliminate duplicates Z: 11 6.049 1.581 0.201 0.460 1.000 0.800 CB 1.050 11 residues pruned to eliminate duplicates Z: 15 7.566 1.614 0.449 0.466 0.929 0.714 CB 0.964 16 residues pruned to eliminate duplicates Z: 12 7.689 1.712 0.214 0.620 0.818 0.545 CB 1.217 12 residues pruned to eliminate duplicates Z: 35 22.304 1.850 0.533 0.658 0.941 0.618 CB 1.238 35 residues pruned to eliminate duplicates Z: 27 24.152 1.923 0.589 0.704 0.923 0.731 CB 1.394 27 residues pruned to eliminate duplicates Z: 28 19.111 1.888 0.491 0.636 0.926 0.593 CB 1.242 28 residues pruned to eliminate duplicates Z: 33 21.350 1.854 0.510 0.591 0.906 0.688 CB 1.364 33 residues pruned to eliminate duplicates Z: 23 15.171 1.863 0.489 0.507 0.909 0.636 CB 1.274 23 residues pruned to eliminate duplicates Z: 35 22.751 1.879 0.429 0.606 0.912 0.676 CB 1.441 35 residues pruned to eliminate duplicates Z: 30 19.263 1.883 0.593 0.623 0.897 0.552 CB 1.185 30 residues pruned to eliminate duplicates Z: 32 20.969 1.898 0.515 0.641 0.871 0.484 CB 1.317 32 residues pruned to eliminate duplicates Z: 34 23.070 1.848 0.554 0.628 0.939 0.576 CB 1.320 34 residues pruned to eliminate duplicates Z: 29 24.476 1.877 0.559 0.663 0.929 0.536 CB 1.464 29 residues pruned to eliminate duplicates Z: 17 10.869 1.843 0.326 0.563 0.812 0.688 CB 1.288 17 residues pruned to eliminate duplicates Z: 33 24.957 1.882 0.406 0.643 1.000 0.719 CB 1.459 33 residues pruned to eliminate duplicates Z: 7 3.796 1.334 0.500 0.436 1.000 0.500 CB 0.827 7 residues pruned to eliminate duplicates Z: 32 22.823 1.866 0.532 0.597 0.935 0.484 CB 1.396 32 residues pruned to eliminate duplicates Z: 29 21.260 1.934 0.523 0.638 0.964 0.679 CB 1.243 29 residues pruned to eliminate duplicates Z: 31 24.052 1.885 0.580 0.621 0.967 0.567 CB 1.360 31 residues pruned to eliminate duplicates Z: 24 14.164 1.779 0.425 0.508 0.957 0.609 CB 1.208 24 residues pruned to eliminate duplicates Z: 15 17.634 1.866 0.496 0.709 1.000 0.714 CB 1.396 15 residues pruned to eliminate duplicates Z: 31 24.112 1.911 0.456 0.695 0.967 0.733 CB 1.369 31 residues pruned to eliminate duplicates Z: 35 22.112 1.852 0.540 0.550 0.912 0.588 CB 1.388 35 residues pruned to eliminate duplicates Z: 13 15.605 1.902 0.581 0.773 0.917 0.750 CB 1.284 13 residues pruned to eliminate duplicates Z: 17 17.019 1.828 0.416 0.716 0.938 0.812 CB 1.442 17 residues pruned to eliminate duplicates Z: 13 13.880 1.850 0.222 0.645 0.917 0.750 CA 1.689 13 residues pruned to eliminate duplicates Z: 13 20.532 1.863 0.661 0.813 0.917 0.500 CB 1.591 13 residues pruned to eliminate duplicates Z: 30 23.223 1.870 0.563 0.643 0.897 0.690 CB 1.439 30 residues pruned to eliminate duplicates Z: 13 17.422 1.873 0.461 0.762 0.917 0.750 CB 1.589 13 residues pruned to eliminate duplicates Z: 30 20.459 1.879 0.350 0.674 0.931 0.759 CB 1.370 30 residues pruned to eliminate duplicates Z: 31 20.906 1.878 0.486 0.639 0.933 0.667 CB 1.287 31 residues pruned to eliminate duplicates Z: 17 13.410 1.758 0.162 0.661 0.875 0.750 N 1.615 17 residues pruned to eliminate duplicates Z: 33 14.467 1.591 0.350 0.591 0.844 0.594 CB 1.294 19 residues pruned to eliminate duplicates Z: 6 3.596 1.345 0.372 0.312 1.000 0.600 CB 1.073 6 residues pruned to eliminate duplicates Z: 8 4.243 1.745 0.509 0.292 0.714 0.429 CB 1.077 8 residues pruned to eliminate duplicates Z: 6 4.652 1.591 1.307 0.483 0.600 0.600 N 0.961 6 residues pruned to eliminate duplicates Z: 6 6.087 1.672 0.663 0.534 0.800 0.600 CB 1.184 Z: 6 4.429 1.505 0.423 0.423 1.000 1.000 CA 1.002 6 residues pruned to eliminate duplicates Z: 12 12.537 1.939 0.591 0.518 0.909 0.727 CB 1.325 12 residues pruned to eliminate duplicates Z: 6 4.500 1.740 0.402 0.435 0.800 0.600 CB 1.104 6 residues pruned to eliminate duplicates Z: 12 13.635 2.004 0.330 0.549 1.000 0.636 CB 1.471 11 residues pruned to eliminate duplicates Z: 11 10.050 1.500 0.786 0.851 0.900 0.700 CB 0.976 8 residues pruned to eliminate duplicates Z: 11 8.412 1.487 0.716 0.843 0.900 0.400 CB 0.863 11 residues pruned to eliminate duplicates Z: 7 8.297 1.588 0.854 0.873 1.000 0.500 CB 0.837 7 residues pruned to eliminate duplicates Z: 7 5.492 1.578 0.640 0.745 0.833 0.667 CB 0.835 7 residues pruned to eliminate duplicates Z: 10 9.896 1.512 0.719 0.799 0.889 0.333 CB 1.098 10 residues pruned to eliminate duplicates Z: 8 9.378 1.517 0.767 0.867 0.857 0.571 CB 1.129 8 residues pruned to eliminate duplicates Z: 7 7.083 1.560 0.295 0.836 1.000 0.667 CB 1.072 7 residues pruned to eliminate duplicates Z: 6 2.202 1.494 0.586 0.350 0.800 0.800 CB 0.611 6 residues pruned to eliminate duplicates Z: 8 7.109 1.772 0.341 0.638 0.857 0.857 CB 1.159 9 residues pruned to eliminate duplicates Z: 7 17.421 1.979 0.892 0.671 1.000 0.500 N 1.622 8 residues pruned to eliminate duplicates Z: 7 7.999 1.686 0.778 0.539 0.833 0.167 CB 1.258 7 residues pruned to eliminate duplicates Z: 11 14.180 1.954 0.872 0.383 0.900 0.400 CB 1.543 11 residues pruned to eliminate duplicates Z: 13 17.841 1.937 0.790 0.502 1.000 0.500 CB 1.484 12 residues pruned to eliminate duplicates Z: 11 9.506 1.550 0.664 0.544 1.000 0.300 CB 1.116 11 residues pruned to eliminate duplicates Z: 13 12.193 1.878 0.522 0.438 0.917 0.500 CA 1.431 13 residues pruned to eliminate duplicates Z: 12 12.483 2.005 0.471 0.379 0.909 0.727 CB 1.598 12 residues pruned to eliminate duplicates Z: 13 12.252 1.882 0.636 0.410 0.833 0.667 CB 1.514 13 residues pruned to eliminate duplicates Z: 11 16.664 2.004 0.782 0.488 1.000 0.500 CB 1.494 11 residues pruned to eliminate duplicates Z: 11 13.804 1.954 0.651 0.494 1.000 0.800 CB 1.361 11 residues pruned to eliminate duplicates Z: 13 7.286 1.737 0.357 0.480 0.833 0.500 CB 1.092 13 residues pruned to eliminate duplicates Z: 12 12.323 1.795 0.504 0.558 1.000 0.909 CB 1.301 12 residues pruned to eliminate duplicates Z: 25 21.153 1.779 0.743 0.639 0.958 0.708 CB 1.275 25 residues pruned to eliminate duplicates Z: 22 19.611 1.751 0.661 0.630 0.952 0.619 CB 1.367 22 residues pruned to eliminate duplicates Z: 14 9.806 1.772 0.482 0.468 0.923 0.692 CB 1.159 14 residues pruned to eliminate duplicates Z: 12 16.257 1.845 0.871 0.562 1.000 0.727 CB 1.337 12 residues pruned to eliminate duplicates Z: 14 13.814 1.772 0.633 0.537 1.000 0.538 CB 1.276 14 residues pruned to eliminate duplicates Z: 22 14.129 1.740 0.484 0.539 0.952 0.667 CB 1.207 22 residues pruned to eliminate duplicates Z: 14 10.893 1.797 0.481 0.546 1.000 0.692 CB 1.085 14 residues pruned to eliminate duplicates Z: 13 12.083 1.815 0.325 0.574 1.000 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 25 21.765 1.789 0.660 0.644 0.958 0.625 CB 1.364 25 residues pruned to eliminate duplicates Z: 27 21.028 1.808 0.541 0.645 1.000 0.615 CB 1.293 31 residues pruned to eliminate duplicates Z: 15 16.473 1.761 0.571 0.854 0.929 0.786 CB 1.266 15 residues pruned to eliminate duplicates Z: 26 15.845 1.681 0.572 0.583 0.920 0.560 CB 1.203 26 residues pruned to eliminate duplicates Z: 17 14.034 1.773 0.521 0.736 0.875 0.750 CB 1.204 17 residues pruned to eliminate duplicates Z: 34 21.125 1.751 0.715 0.608 0.909 0.636 CB 1.215 34 residues pruned to eliminate duplicates Z: 24 20.968 1.796 0.644 0.655 0.957 0.652 CB 1.340 24 residues pruned to eliminate duplicates Z: 31 20.648 1.682 0.666 0.554 0.967 0.567 CB 1.320 31 residues pruned to eliminate duplicates Z: 25 22.171 1.774 0.701 0.657 0.958 0.708 CB 1.353 25 residues pruned to eliminate duplicates Z: 31 18.455 1.657 0.697 0.558 0.900 0.433 CB 1.258 31 residues pruned to eliminate duplicates Z: 34 20.427 1.766 0.619 0.594 0.970 0.758 CB 1.172 34 residues pruned to eliminate duplicates Z: 30 20.057 1.793 0.579 0.585 0.966 0.724 CB 1.255 30 residues pruned to eliminate duplicates Z: 28 19.799 1.775 0.612 0.583 0.963 0.593 CB 1.277 28 residues pruned to eliminate duplicates Z: 31 18.230 1.763 0.548 0.559 0.967 0.533 CB 1.191 31 residues pruned to eliminate duplicates Z: 29 20.850 1.759 0.588 0.622 0.964 0.714 CB 1.304 29 residues pruned to eliminate duplicates Z: 10 8.614 1.807 0.701 0.420 0.778 0.444 CA 1.305 10 residues pruned to eliminate duplicates Z: 18 14.059 1.782 0.573 0.657 0.824 0.588 CB 1.276 18 residues pruned to eliminate duplicates Z: 33 22.091 1.781 0.659 0.597 0.938 0.719 CB 1.286 33 residues pruned to eliminate duplicates Z: 19 13.964 1.721 0.852 0.489 0.833 0.500 CB 1.253 19 residues pruned to eliminate duplicates Z: 10 11.619 1.741 0.682 0.538 1.000 0.778 CA 1.275 10 residues pruned to eliminate duplicates Z: 10 8.333 1.712 0.582 0.465 0.889 0.667 CB 1.196 10 residues pruned to eliminate duplicates Z: 12 6.521 1.762 0.396 0.390 0.727 0.364 CA 1.236 12 residues pruned to eliminate duplicates Z: 29 9.607 1.655 0.391 0.355 0.679 0.429 CA 1.359 28 residues pruned to eliminate duplicates Z: 9 8.802 1.754 0.735 0.580 0.875 0.500 CB 1.082 9 residues pruned to eliminate duplicates Z: 8 7.924 1.722 0.567 0.528 0.857 0.571 CB 1.260 8 residues pruned to eliminate duplicates Z: 10 4.976 1.615 0.401 0.447 0.778 0.444 CB 0.996 10 residues pruned to eliminate duplicates Z: 8 7.618 1.814 0.447 0.694 1.000 0.714 CB 0.918 8 residues pruned to eliminate duplicates Z: 16 7.496 1.803 0.507 0.461 0.867 0.667 CB 0.855 10 residues pruned to eliminate duplicates Z: 8 8.397 1.547 0.504 0.643 1.000 0.714 CA 1.193 8 residues pruned to eliminate duplicates Z: 8 3.198 1.859 0.180 0.352 0.857 0.571 CB 0.754 8 residues pruned to eliminate duplicates Z: 16 7.687 1.771 0.618 0.353 0.867 0.533 CB 0.937 16 residues pruned to eliminate duplicates Z: 20 7.644 1.743 0.292 0.463 0.895 0.526 CB 0.904 16 residues pruned to eliminate duplicates Z: 10 5.837 1.498 0.721 0.637 1.000 0.667 CB 0.664 6 residues pruned to eliminate duplicates 6 1.939 1.568 0.117 0.448 0.600 0.200 CB 0.871 ? Z: 7 4.363 1.492 0.601 0.308 0.833 0.167 N 1.107 2 residues pruned to eliminate duplicates Z: 17 25.530 1.936 0.899 0.761 1.000 0.625 CB 1.377 17 residues pruned to eliminate duplicates Z: 26 24.912 2.023 0.844 0.528 0.960 0.720 CB 1.353 26 residues pruned to eliminate duplicates Z: 25 26.792 2.048 0.799 0.560 0.917 0.542 CB 1.528 25 residues pruned to eliminate duplicates Z: 25 26.520 2.059 0.770 0.541 0.958 0.667 CB 1.488 25 residues pruned to eliminate duplicates Z: 31 25.662 1.977 0.703 0.537 0.933 0.700 CB 1.438 31 residues pruned to eliminate duplicates Z: 26 28.002 1.997 0.877 0.495 1.000 0.640 CB 1.502 38 residues pruned to eliminate duplicates Z: 11 27.050 2.084 0.946 0.882 1.000 0.800 CB 1.527 11 residues pruned to eliminate duplicates Z: 26 22.173 2.011 0.814 0.507 0.920 0.720 CB 1.312 26 residues pruned to eliminate duplicates Z: 18 17.210 1.960 0.734 0.614 0.941 0.529 CB 1.171 15 residues pruned to eliminate duplicates Z: 15 19.871 1.832 0.790 0.910 0.929 0.786 CB 1.237 15 residues pruned to eliminate duplicates Z: 27 17.139 1.874 0.816 0.520 0.846 0.423 CB 1.145 17 residues pruned to eliminate duplicates Z: 14 23.888 1.940 1.215 0.847 0.923 0.692 CB 1.240 14 residues pruned to eliminate duplicates Z: 25 24.275 1.960 0.876 0.531 0.917 0.750 CB 1.426 23 residues pruned to eliminate duplicates Z: 17 18.409 1.948 0.654 0.697 0.938 0.375 CB 1.273 7 residues pruned to eliminate duplicates Z: 17 16.337 1.948 0.816 0.734 0.875 0.438 CB 1.069 16 residues pruned to eliminate duplicates Z: 7 4.522 1.624 0.078 0.605 0.833 0.333 N 1.145 Z: 28 21.409 1.929 0.707 0.523 0.889 0.556 CB 1.376 35 residues pruned to eliminate duplicates Z: 27 18.955 1.929 0.646 0.388 0.923 0.462 CB 1.428 27 residues pruned to eliminate duplicates Z: 26 15.655 1.871 0.943 0.482 0.760 0.440 CB 1.154 26 residues pruned to eliminate duplicates Z: 26 27.321 2.048 0.898 0.541 0.960 0.560 CB 1.406 26 residues pruned to eliminate duplicates Z: 6 4.345 1.393 0.340 0.434 1.000 0.400 CA 1.114 6 residues pruned to eliminate duplicates Z: 33 21.269 1.978 0.815 0.517 0.844 0.562 CB 1.221 33 residues pruned to eliminate duplicates Z: 35 22.484 1.898 0.792 0.505 0.941 0.471 CB 1.199 35 residues pruned to eliminate duplicates Z: 23 14.380 1.885 0.633 0.388 0.909 0.545 CB 1.233 23 residues pruned to eliminate duplicates Z: 28 17.289 1.952 0.470 0.410 0.852 0.444 CB 1.496 28 residues pruned to eliminate duplicates Z: 15 13.311 1.910 0.727 0.442 0.857 0.429 CB 1.336 15 residues pruned to eliminate duplicates Z: 63 28.132 1.911 0.623 0.486 0.903 0.484 CB 1.293 71 residues pruned to eliminate duplicates Z: 6 7.701 1.688 0.460 0.645 1.000 0.800 CA 1.220 6 residues pruned to eliminate duplicates Z: 31 14.654 1.921 0.314 0.377 0.867 0.567 CB 1.395 31 residues pruned to eliminate duplicates Z: 38 19.534 1.938 0.601 0.497 0.865 0.514 CB 1.201 38 residues pruned to eliminate duplicates Z: 38 18.951 1.902 0.481 0.463 0.865 0.514 CB 1.327 38 residues pruned to eliminate duplicates Z: 43 16.506 1.886 0.383 0.437 0.833 0.452 CB 1.250 43 residues pruned to eliminate duplicates Z: 36 18.388 1.868 0.546 0.441 0.914 0.514 CB 1.251 36 residues pruned to eliminate duplicates Z: 28 18.475 1.931 0.615 0.378 0.815 0.519 CB 1.593 28 residues pruned to eliminate duplicates Z: 21 17.134 1.953 0.487 0.426 0.950 0.550 CB 1.499 21 residues pruned to eliminate duplicates Z: 43 15.356 1.801 0.602 0.405 0.762 0.500 CB 1.191 43 residues pruned to eliminate duplicates Z: 43 20.731 1.824 0.594 0.430 0.881 0.595 CB 1.343 43 residues pruned to eliminate duplicates Z: 36 19.130 1.837 0.686 0.472 0.829 0.514 CB 1.296 36 residues pruned to eliminate duplicates Z: 42 20.543 1.836 0.612 0.417 0.854 0.537 CB 1.384 42 residues pruned to eliminate duplicates Z: 34 18.464 1.875 0.529 0.472 0.939 0.515 CB 1.228 34 residues pruned to eliminate duplicates Z: 35 18.493 1.832 0.582 0.462 0.912 0.706 CB 1.248 29 residues pruned to eliminate duplicates Z: 6 4.437 1.700 0.243 0.288 0.800 0.800 CA 1.489 Z: 13 12.845 1.714 0.584 0.640 0.917 0.750 CB 1.307 13 residues pruned to eliminate duplicates Z: 42 19.069 1.775 0.702 0.444 0.854 0.488 CB 1.224 41 residues pruned to eliminate duplicates Z: 9 10.779 1.599 0.690 0.758 0.875 0.500 N 1.282 9 residues pruned to eliminate duplicates Z: 34 21.224 1.850 0.702 0.490 0.879 0.545 CB 1.349 34 residues pruned to eliminate duplicates Z: 29 20.836 1.880 0.526 0.573 1.000 0.679 CB 1.279 29 residues pruned to eliminate duplicates Z: 41 17.503 1.843 0.465 0.390 0.925 0.425 CB 1.245 41 residues pruned to eliminate duplicates Z: 33 21.252 1.946 0.555 0.473 0.938 0.531 CB 1.361 43 residues pruned to eliminate duplicates Z: 11 8.701 1.698 0.533 0.538 0.800 0.400 N 1.273 11 residues pruned to eliminate duplicates Z: 18 9.428 1.758 0.576 0.347 0.824 0.412 CB 1.184 10 residues pruned to eliminate duplicates Z: 6 2.412 1.341 0.734 0.384 1.000 0.400 N 0.525 6 residues pruned to eliminate duplicates Z: 45 18.519 1.887 0.518 0.415 0.886 0.500 CB 1.201 45 residues pruned to eliminate duplicates Z: 9 5.817 1.724 0.128 0.475 0.875 0.500 CB 1.240 9 residues pruned to eliminate duplicates Z: 8 7.274 1.639 0.639 0.459 0.857 0.714 CB 1.245 8 residues pruned to eliminate duplicates Z: 44 17.830 1.855 0.623 0.468 0.860 0.512 CB 1.084 44 residues pruned to eliminate duplicates Z: 26 9.806 1.746 0.471 0.363 0.720 0.400 CB 1.229 26 residues pruned to eliminate duplicates Z: 26 14.609 1.784 0.502 0.484 0.880 0.560 CB 1.259 35 residues pruned to eliminate duplicates Z: 11 11.230 1.668 0.741 0.788 0.900 0.900 CB 1.055 11 residues pruned to eliminate duplicates Z: 10 13.948 1.719 0.649 0.806 1.000 0.667 CB 1.256 10 residues pruned to eliminate duplicates Z: 9 8.132 1.520 0.887 0.669 0.750 0.500 CB 1.143 9 residues pruned to eliminate duplicates Z: 14 7.492 1.717 0.539 0.561 0.846 0.615 CB 0.876 14 residues pruned to eliminate duplicates Z: 10 8.571 1.770 0.305 0.632 0.889 0.778 CB 1.229 10 residues pruned to eliminate duplicates Z: 13 8.502 1.761 0.500 0.548 0.917 0.667 CB 0.967 13 residues pruned to eliminate duplicates Z: 14 10.896 1.770 0.648 0.637 0.846 0.538 CB 1.077 14 residues pruned to eliminate duplicates Z: 22 8.892 1.712 0.344 0.409 0.857 0.714 CB 1.082 27 residues pruned to eliminate duplicates Z: 9 13.000 1.755 0.559 0.837 1.000 0.875 CB 1.257 9 residues pruned to eliminate duplicates Z: 6 7.295 1.737 0.554 0.443 1.000 1.000 CA 1.282 6 residues pruned to eliminate duplicates Z: 7 6.581 1.670 0.714 0.378 0.833 0.833 CB 1.283 8 residues pruned to eliminate duplicates Z: 6 5.032 1.426 0.888 0.404 1.000 0.600 CA 0.925 6 residues pruned to eliminate duplicates Z: 8 5.301 1.646 0.859 0.325 0.714 0.571 CB 1.110 8 residues pruned to eliminate duplicates Z: 31 12.217 1.738 0.372 0.546 0.900 0.700 CB 0.994 31 residues pruned to eliminate duplicates Z: 8 9.097 1.818 0.273 0.805 1.000 0.714 CB 1.139 8 residues pruned to eliminate duplicates Z: 32 16.551 1.781 0.458 0.556 0.935 0.677 CB 1.158 32 residues pruned to eliminate duplicates Z: 23 9.932 1.737 0.266 0.578 0.864 0.682 CB 1.034 23 residues pruned to eliminate duplicates Z: 16 12.534 1.838 0.332 0.721 0.933 0.600 CB 1.159 16 residues pruned to eliminate duplicates Z: 11 7.262 1.771 0.111 0.632 0.800 0.600 CB 1.289 11 residues pruned to eliminate duplicates Z: 33 12.366 1.758 0.438 0.514 0.844 0.594 CB 1.010 33 residues pruned to eliminate duplicates Z: 32 14.911 1.784 0.432 0.637 0.839 0.613 CB 1.099 32 residues pruned to eliminate duplicates Z: 19 11.791 1.764 0.294 0.715 0.889 0.722 CB 1.127 19 residues pruned to eliminate duplicates Z: 24 9.927 1.711 0.444 0.588 0.696 0.609 CB 1.107 24 residues pruned to eliminate duplicates Z: 26 10.058 1.771 0.353 0.572 0.840 0.560 CB 0.932 26 residues pruned to eliminate duplicates Z: 17 13.545 1.799 0.493 0.736 1.000 0.625 CB 1.020 17 residues pruned to eliminate duplicates Z: 20 12.675 1.765 0.449 0.652 0.895 0.737 CB 1.103 20 residues pruned to eliminate duplicates Z: 20 12.948 1.778 0.587 0.690 0.842 0.737 CB 1.051 20 residues pruned to eliminate duplicates Z: 11 13.905 1.678 0.655 0.845 1.000 0.800 CB 1.177 11 residues pruned to eliminate duplicates Z: 7 5.112 1.790 0.290 0.563 0.833 0.500 CB 1.021 7 residues pruned to eliminate duplicates Z: 9 7.684 1.708 0.520 0.490 0.750 0.375 N 1.409 9 residues pruned to eliminate duplicates Z: 11 10.971 1.481 1.004 0.660 0.900 0.600 CA 1.120 11 residues pruned to eliminate duplicates Z: 9 16.297 1.819 1.007 0.857 0.875 0.625 CA 1.329 9 residues pruned to eliminate duplicates Z: 13 12.917 1.699 0.684 0.716 0.917 0.417 CA 1.169 13 residues pruned to eliminate duplicates Z: 9 16.140 1.805 0.997 0.858 0.875 0.625 CA 1.332 9 residues pruned to eliminate duplicates Z: 10 13.175 1.656 0.913 0.748 1.000 0.556 CA 1.112 10 residues pruned to eliminate duplicates Z: 17 18.071 1.780 0.793 0.666 0.875 0.625 CB 1.388 39 residues pruned to eliminate duplicates Z: 12 19.192 1.796 0.895 0.871 1.000 0.636 CA 1.240 12 residues pruned to eliminate duplicates Z: 17 17.955 1.816 0.704 0.647 0.938 0.625 CA 1.349 18 residues pruned to eliminate duplicates Z: 12 17.233 1.768 0.868 0.769 1.000 0.545 CA 1.239 12 residues pruned to eliminate duplicates Z: 12 3.158 1.648 0.240 0.274 0.636 0.273 CB 0.946 12 residues pruned to eliminate duplicates Z: 22 13.902 1.761 0.506 0.603 0.952 0.571 CB 1.089 19 residues pruned to eliminate duplicates Z: 6 5.538 1.650 0.446 0.456 0.800 0.400 N 1.358 12 residues pruned to eliminate duplicates Z: 6 5.121 1.676 0.397 0.508 0.800 0.400 N 1.213 6 residues pruned to eliminate duplicates Z: 15 8.992 1.719 0.398 0.500 0.857 0.429 CB 1.166 23 residues pruned to eliminate duplicates Z: 15 12.520 1.813 0.293 0.800 0.929 0.786 CB 1.182 15 residues pruned to eliminate duplicates Z: 15 15.946 1.810 0.678 0.847 1.000 0.857 CB 1.041 15 residues pruned to eliminate duplicates Z: 14 11.437 1.806 0.530 0.731 1.000 0.846 CB 0.933 14 residues pruned to eliminate duplicates Z: 12 7.261 1.694 0.549 0.524 0.818 0.727 CB 0.996 12 residues pruned to eliminate duplicates Z: 12 14.422 1.887 0.665 0.839 0.909 0.727 CB 1.137 12 residues pruned to eliminate duplicates Z: 13 12.013 1.802 0.610 0.659 0.917 0.583 CB 1.125 13 residues pruned to eliminate duplicates Z: 16 13.035 1.802 0.450 0.685 1.000 0.467 CB 1.086 16 residues pruned to eliminate duplicates Z: 14 11.836 1.846 0.580 0.771 0.923 0.769 CB 0.959 13 residues pruned to eliminate duplicates Z: 15 12.447 1.765 0.365 0.834 0.857 0.857 CB 1.208 15 residues pruned to eliminate duplicates Z: 14 15.245 1.911 0.471 0.728 1.000 0.769 CB 1.225 14 residues pruned to eliminate duplicates Z: 12 6.163 1.764 0.506 0.327 0.818 0.545 CB 1.033 12 residues pruned to eliminate duplicates Z: 11 4.930 1.548 0.539 0.532 0.800 0.300 CB 0.793 11 residues pruned to eliminate duplicates Z: 15 6.055 1.605 0.358 0.325 0.857 0.214 CB 1.050 15 residues pruned to eliminate duplicates Z: 14 13.445 1.742 0.542 0.767 1.000 0.692 CB 1.096 14 residues pruned to eliminate duplicates Z: 14 12.662 1.734 0.525 0.750 1.000 0.846 CB 1.063 14 residues pruned to eliminate duplicates Z: 15 10.859 1.708 0.496 0.723 0.929 0.857 CB 1.001 15 residues pruned to eliminate duplicates Z: 14 13.055 1.749 0.458 0.847 1.000 0.769 CB 1.054 14 residues pruned to eliminate duplicates Z: 21 12.898 1.713 0.648 0.540 0.850 0.700 CB 1.155 13 residues pruned to eliminate duplicates Z: 12 14.743 1.771 0.589 0.932 1.000 1.000 CB 1.103 12 residues pruned to eliminate duplicates Z: 16 13.333 1.692 0.511 0.719 1.000 0.933 CB 1.105 16 residues pruned to eliminate duplicates Z: 17 15.636 1.713 0.583 0.717 1.000 0.750 CB 1.185 17 residues pruned to eliminate duplicates Z: 13 14.125 1.724 0.622 0.853 0.917 0.917 CB 1.176 21 residues pruned to eliminate duplicates Z: 13 16.594 1.711 0.561 0.901 1.000 0.917 CB 1.279 13 residues pruned to eliminate duplicates Z: 18 14.842 1.667 0.716 0.662 1.000 0.765 CB 1.083 15 residues pruned to eliminate duplicates Z: 13 17.243 1.784 0.718 0.843 1.000 0.750 CB 1.209 16 residues pruned to eliminate duplicates Z: 6 2.597 1.163 1.017 0.374 1.000 0.600 N 0.566 Z: 6 4.046 1.317 1.217 0.313 1.000 0.400 CB 0.762 Z: 7 5.084 1.402 0.182 0.503 1.000 0.667 O 1.249 Z: 7 2.394 1.266 0.455 0.345 0.667 0.500 O 0.942 7 residues pruned to eliminate duplicates Z: 7 6.147 1.695 0.299 0.616 1.000 0.667 CB 1.021 6 residues pruned to eliminate duplicates Z: 6 2.304 1.353 0.459 0.300 0.800 0.200 CB 0.816 6 residues pruned to eliminate duplicates Z: 16 13.491 1.848 0.914 0.623 1.000 0.867 CB 0.877 15 residues pruned to eliminate duplicates Z: 6 4.489 1.698 0.361 0.457 1.000 0.600 CB 0.907 6 residues pruned to eliminate duplicates Z: 15 10.982 1.770 0.588 0.632 1.000 0.786 CB 0.922 15 residues pruned to eliminate duplicates Z: 15 11.368 1.819 0.627 0.653 0.929 0.786 CB 0.958 15 residues pruned to eliminate duplicates Z: 17 13.494 1.786 0.693 0.590 1.000 0.688 CB 1.024 22 residues pruned to eliminate duplicates Z: 6 3.591 1.373 0.673 0.296 0.800 0.600 CA 1.098 Z: 6 2.460 1.407 0.135 0.296 1.000 0.400 CB 0.865 Z: 8 12.178 2.002 0.880 0.624 0.857 0.714 CA 1.269 9 residues pruned to eliminate duplicates Z: 9 10.258 1.727 0.800 0.576 0.875 0.500 CA 1.239 8 residues pruned to eliminate duplicates Z: 7 13.900 1.734 1.177 0.745 1.000 0.833 CA 1.207 8 residues pruned to eliminate duplicates Z: 7 19.264 1.878 1.378 0.784 1.000 0.833 CA 1.371 7 residues pruned to eliminate duplicates Z: 8 11.241 1.758 1.055 0.666 0.857 0.714 CA 1.176 8 residues pruned to eliminate duplicates Z: 17 14.750 1.927 0.644 0.538 0.875 0.562 CB 1.282 17 residues pruned to eliminate duplicates Z: 17 11.105 1.756 0.656 0.567 0.750 0.562 CB 1.193 17 residues pruned to eliminate duplicates Z: 11 7.307 1.503 0.562 0.613 0.900 0.700 CA 0.982 Z: 13 19.443 1.935 0.851 0.806 0.917 0.667 CB 1.309 13 residues pruned to eliminate duplicates Z: 7 6.280 1.530 0.665 0.410 0.833 0.500 CA 1.327 22 residues pruned to eliminate duplicates Z: 13 21.115 1.880 0.803 0.821 1.000 0.750 CA 1.361 13 residues pruned to eliminate duplicates Z: 15 18.906 1.931 0.660 0.719 1.000 0.714 CB 1.293 15 residues pruned to eliminate duplicates Z: 14 19.539 1.897 0.928 0.776 0.846 0.538 CB 1.372 14 residues pruned to eliminate duplicates Z: 21 17.045 1.809 0.597 0.587 0.950 0.600 CB 1.278 21 residues pruned to eliminate duplicates Z: 15 20.477 1.959 0.791 0.764 0.929 0.714 CB 1.329 15 residues pruned to eliminate duplicates Z: 15 17.369 1.924 0.902 0.690 0.857 0.643 CB 1.243 15 residues pruned to eliminate duplicates Z: 14 17.874 1.979 0.719 0.787 0.923 0.846 CB 1.227 14 residues pruned to eliminate duplicates Z: 17 20.233 1.960 0.871 0.802 0.812 0.562 CB 1.304 17 residues pruned to eliminate duplicates Z: 13 20.527 2.013 0.791 0.753 0.917 0.917 CB 1.431 13 residues pruned to eliminate duplicates Z: 17 14.909 1.922 0.663 0.839 0.812 0.625 CB 1.071 17 residues pruned to eliminate duplicates Z: 16 12.313 1.912 0.212 0.689 0.933 0.733 CB 1.237 15 residues pruned to eliminate duplicates Z: 14 15.428 1.946 0.574 0.844 0.846 0.615 CB 1.229 14 residues pruned to eliminate duplicates Z: 8 3.724 1.585 1.040 0.410 0.857 0.571 CB 0.558 5 residues pruned to eliminate duplicates Z: 18 21.670 1.816 0.675 0.807 1.000 0.765 CB 1.323 24 residues pruned to eliminate duplicates Z: 18 20.184 1.859 0.556 0.811 1.000 0.765 CA 1.291 17 residues pruned to eliminate duplicates 6 1.642 1.212 0.734 0.371 0.800 0.600 CB 0.502 ? Z: 9 5.375 1.557 0.381 0.420 0.875 0.500 CB 1.098 9 residues pruned to eliminate duplicates Z: 15 9.197 1.747 0.563 0.305 0.857 0.357 CB 1.304 15 residues pruned to eliminate duplicates Z: 6 4.819 1.604 0.576 0.366 0.800 0.200 N 1.231 6 residues pruned to eliminate duplicates Z: 14 7.824 1.759 0.304 0.288 0.846 0.538 CB 1.419 14 residues pruned to eliminate duplicates Z: 16 6.865 1.709 0.337 0.279 0.800 0.467 CB 1.244 16 residues pruned to eliminate duplicates Z: 14 12.005 1.730 0.708 0.326 1.000 0.615 CB 1.365 21 residues pruned to eliminate duplicates Z: 7 5.445 1.433 0.717 0.466 0.833 0.667 CB 1.121 7 residues pruned to eliminate duplicates Z: 6 4.647 1.591 0.414 0.290 1.000 0.600 CB 1.170 6 residues pruned to eliminate duplicates 864 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 8 D: 6 E: 8 F: 14 G: 50 H: 16 I: 14 J: 20 K: 14 L: 46 M: 7 N: 45 O: 26 P: 14 Q: 17 R: 36 S: 10 T: 7 U: 9 V: 11 W: 102 X: 14 Y: 101 Z: 6 Z: 33 Z: 30 Z: 16 Z: 14 Z: 13 Z: 98 Z: 7 Z: 19 Z: 14 Z: 6 CC for partial structure against native data = 33.23 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.465, Connect. = 0.667 for dens.mod. cycle 1 = 0.300, Contrast = 0.540, Connect. = 0.695 for dens.mod. cycle 2 = 0.300, Contrast = 0.636, Connect. = 0.727 for dens.mod. cycle 3 = 0.300, Contrast = 0.649, Connect. = 0.730 for dens.mod. cycle 4 = 0.300, Contrast = 0.660, Connect. = 0.733 for dens.mod. cycle 5 = 0.300, Contrast = 0.665, Connect. = 0.735 for dens.mod. cycle 6 = 0.300, Contrast = 0.669, Connect. = 0.737 for dens.mod. cycle 7 = 0.300, Contrast = 0.671, Connect. = 0.738 for dens.mod. cycle 8 = 0.300, Contrast = 0.672, Connect. = 0.740 for dens.mod. cycle 9 = 0.300, Contrast = 0.673, Connect. = 0.741 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4016 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1086 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 18.311 1.823 0.588 0.821 1.000 0.769 CB 1.328 B: 13 24.104 2.140 0.783 0.891 0.917 0.667 CB 1.430 C: 15 23.907 2.016 0.994 0.798 0.929 0.643 CB 1.319 14 residues pruned to eliminate duplicates D: 13 21.332 2.095 0.884 0.894 0.917 0.917 CB 1.221 13 residues pruned to eliminate duplicates E: 14 18.283 1.937 0.537 0.913 1.000 0.846 CB 1.206 F: 16 20.199 1.910 0.492 0.726 1.000 0.800 CA 1.493 16 residues pruned to eliminate duplicates G: 15 19.640 1.935 0.864 0.721 0.786 0.357 CB 1.517 15 residues pruned to eliminate duplicates H: 16 19.102 2.037 0.848 0.669 0.933 0.867 CB 1.201 I: 13 26.478 2.138 0.884 0.846 1.000 0.750 CB 1.410 12 residues pruned to eliminate duplicates J: 14 14.223 1.842 0.505 0.793 0.846 0.615 CB 1.301 K: 16 15.876 1.926 0.550 0.774 0.867 0.600 CB 1.244 16 residues pruned to eliminate duplicates L: 8 13.569 1.882 0.485 0.708 1.000 0.714 CB 1.519 M: 11 7.825 1.999 -0.003 0.466 1.000 0.600 CB 1.284 N: 13 7.556 1.810 0.465 0.362 0.833 0.417 CB 1.145 O: 7 5.474 1.696 -0.157 0.738 1.000 0.667 O 1.263 P: 9 14.409 1.703 0.763 0.725 1.000 0.625 N 1.385 8 residues pruned to eliminate duplicates Q: 15 12.873 1.836 0.217 0.917 1.000 0.929 CB 1.087 R: 9 6.358 1.552 0.208 0.687 1.000 0.625 CB 1.010 S: 15 21.321 1.898 0.754 0.891 1.000 0.857 CB 1.231 T: 8 10.366 1.831 0.296 0.887 1.000 1.000 CB 1.191 U: 14 25.570 1.994 0.589 0.896 1.000 1.000 CB 1.604 14 residues pruned to eliminate duplicates V: 17 17.462 1.870 0.451 0.757 0.938 0.750 CB 1.366 W: 47 24.545 1.876 0.675 0.523 0.891 0.565 CB 1.263 46 residues pruned to eliminate duplicates X: 14 24.702 1.972 0.678 0.897 1.000 0.923 CB 1.482 14 residues pruned to eliminate duplicates Y: 15 20.708 1.931 0.604 0.784 1.000 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 13 21.441 2.113 0.759 0.856 0.917 0.917 CB 1.339 13 residues pruned to eliminate duplicates Z: 21 14.984 1.865 0.788 0.500 0.800 0.650 CB 1.256 21 residues pruned to eliminate duplicates Z: 15 18.498 1.793 0.471 0.912 1.000 0.929 CB 1.327 15 residues pruned to eliminate duplicates Z: 15 18.376 1.787 0.490 0.903 1.000 1.000 CB 1.315 15 residues pruned to eliminate duplicates Z: 21 16.679 1.876 0.864 0.566 0.850 0.750 CB 1.177 21 residues pruned to eliminate duplicates Z: 16 13.628 1.740 1.026 0.451 0.933 0.600 CB 1.125 Z: 8 6.734 1.647 1.007 0.309 0.857 0.429 N 1.110 Z: 11 16.680 1.870 0.672 0.850 1.000 0.800 CB 1.249 12 residues pruned to eliminate duplicates Z: 13 7.705 1.760 0.384 0.478 0.917 0.583 CB 1.018 Z: 15 18.142 1.906 0.544 0.787 1.000 1.000 CB 1.280 15 residues pruned to eliminate duplicates Z: 13 17.095 1.923 0.826 0.730 0.833 0.750 CB 1.371 Z: 16 19.379 1.816 0.691 0.839 0.933 0.733 CB 1.303 16 residues pruned to eliminate duplicates Z: 6 9.843 1.683 0.592 0.682 1.000 0.600 N 1.390 Z: 9 11.880 1.734 0.782 0.626 0.875 0.375 CA 1.380 Z: 28 17.063 1.910 0.509 0.533 0.852 0.667 CB 1.295 Z: 14 22.995 1.910 0.803 0.847 0.846 0.692 CA 1.626 14 residues pruned to eliminate duplicates Z: 11 10.863 1.583 0.844 0.654 0.900 0.700 CB 1.133 Z: 15 17.797 1.881 0.519 0.777 1.000 0.714 CB 1.303 15 residues pruned to eliminate duplicates Z: 8 9.340 1.616 0.459 0.763 0.857 0.714 N 1.384 7 residues pruned to eliminate duplicates Z: 13 20.443 2.063 0.700 0.847 0.833 0.667 CB 1.500 13 residues pruned to eliminate duplicates Z: 12 10.737 1.863 0.286 0.868 0.909 0.727 CB 1.086 12 residues pruned to eliminate duplicates Z: 12 14.721 1.710 0.578 0.838 0.909 0.727 CB 1.352 10 residues pruned to eliminate duplicates Z: 31 15.454 1.822 0.469 0.531 0.900 0.667 CB 1.136 31 residues pruned to eliminate duplicates Z: 11 17.088 1.934 0.421 0.835 1.000 1.000 CA 1.473 11 residues pruned to eliminate duplicates Z: 18 21.446 1.922 0.645 0.864 0.941 0.765 CB 1.281 19 residues pruned to eliminate duplicates Z: 14 22.640 1.960 0.546 0.889 1.000 0.923 CB 1.492 14 residues pruned to eliminate duplicates Z: 15 18.128 1.909 0.622 0.807 1.000 0.643 CB 1.197 Z: 26 24.397 1.977 0.743 0.563 1.000 0.680 CB 1.333 15 residues pruned to eliminate duplicates Z: 40 15.406 1.883 0.493 0.338 0.846 0.487 CB 1.237 Z: 16 14.583 1.701 0.610 0.805 1.000 0.867 CB 1.053 Z: 20 11.161 1.757 0.613 0.389 0.842 0.474 N 1.207 Z: 12 7.061 1.818 0.459 0.476 0.636 0.364 CB 1.292 Z: 25 29.350 1.968 0.911 0.573 1.000 0.708 CB 1.485 26 residues pruned to eliminate duplicates Z: 19 16.325 1.970 0.650 0.588 0.833 0.667 CB 1.306 19 residues pruned to eliminate duplicates Z: 6 5.024 1.514 0.384 0.544 0.800 0.600 CA 1.284 Z: 8 17.266 1.839 0.772 0.813 1.000 0.429 N 1.525 8 residues pruned to eliminate duplicates Z: 15 18.080 1.897 0.769 0.783 1.000 0.929 CB 1.122 15 residues pruned to eliminate duplicates Z: 12 16.746 1.992 0.584 0.878 1.000 0.727 CB 1.161 12 residues pruned to eliminate duplicates Z: 7 12.402 1.866 0.577 0.862 0.833 0.667 CB 1.516 Z: 30 21.367 1.788 0.666 0.586 0.897 0.552 CB 1.368 20 residues pruned to eliminate duplicates Z: 18 17.879 1.880 0.704 0.810 0.941 0.765 CB 1.098 Z: 15 12.963 1.841 0.314 0.910 1.000 1.000 CB 1.016 15 residues pruned to eliminate duplicates Z: 18 17.327 1.847 0.571 0.858 0.941 0.765 CB 1.133 18 residues pruned to eliminate duplicates Z: 19 8.129 1.814 0.613 0.478 0.944 0.500 CB 0.709 12 residues pruned to eliminate duplicates Z: 10 11.899 2.021 0.638 0.395 0.889 0.556 CB 1.506 15 residues pruned to eliminate duplicates Z: 7 9.385 1.830 0.689 0.607 0.833 0.500 CA 1.344 7 residues pruned to eliminate duplicates Z: 10 4.199 1.494 0.646 0.424 0.778 0.667 CB 0.792 Z: 7 10.370 1.898 0.851 0.719 1.000 0.667 CB 0.988 Z: 6 2.133 1.825 -0.166 0.403 0.600 0.200 CB 1.157 Z: 9 5.942 1.666 -0.193 0.803 1.000 0.750 CB 1.198 Z: 14 13.419 1.799 0.233 0.782 1.000 0.769 CB 1.309 14 residues pruned to eliminate duplicates Z: 12 10.260 1.593 0.688 0.659 1.000 0.727 CB 0.992 Z: 8 6.394 1.637 0.123 0.478 1.000 0.571 CB 1.345 Z: 15 19.518 1.834 0.655 0.828 0.929 0.857 CB 1.393 14 residues pruned to eliminate duplicates Z: 8 4.233 1.482 0.525 0.332 0.714 0.571 N 1.192 Z: 7 7.570 1.674 0.858 0.552 0.833 0.667 CB 1.133 Z: 6 11.863 1.997 0.449 0.806 1.000 0.600 CB 1.404 7 residues pruned to eliminate duplicates Z: 7 4.986 1.635 0.154 0.808 0.833 0.833 N 0.990 7 residues pruned to eliminate duplicates Z: 18 12.470 1.775 0.678 0.705 0.882 0.647 CB 0.955 18 residues pruned to eliminate duplicates Z: 15 12.543 1.692 0.613 0.849 0.929 0.786 CB 0.981 8 residues pruned to eliminate duplicates Z: 11 8.693 1.620 1.183 0.501 0.700 0.600 CB 1.110 11 residues pruned to eliminate duplicates Z: 13 11.126 1.801 0.498 0.557 1.000 0.750 CB 1.126 Z: 7 4.506 1.790 0.550 0.453 0.833 0.500 CB 0.835 Z: 12 6.439 1.515 0.349 0.707 0.818 0.727 CB 0.962 Z: 11 8.769 1.586 0.679 0.495 0.900 0.700 CB 1.163 6 residues pruned to eliminate duplicates Z: 10 10.241 1.758 0.393 0.645 1.000 0.778 CB 1.218 Z: 31 17.950 1.919 0.364 0.599 0.933 0.700 CB 1.220 31 residues pruned to eliminate duplicates Z: 17 14.425 1.839 0.755 0.853 0.875 0.562 CB 0.944 17 residues pruned to eliminate duplicates Z: 7 4.149 1.707 0.724 0.617 0.833 0.833 CB 0.618 Z: 11 14.188 1.686 0.985 0.736 0.900 0.700 N 1.205 10 residues pruned to eliminate duplicates Z: 15 14.659 1.796 0.441 0.802 0.929 0.714 CB 1.252 15 residues pruned to eliminate duplicates Z: 41 18.819 1.917 0.510 0.469 0.825 0.575 CB 1.286 39 residues pruned to eliminate duplicates Z: 8 6.838 1.637 0.434 0.569 0.857 0.571 CA 1.202 8 residues pruned to eliminate duplicates Z: 15 7.194 1.678 0.462 0.473 0.786 0.429 CB 1.025 13 residues pruned to eliminate duplicates Z: 16 18.051 1.875 0.539 0.868 1.000 0.867 CB 1.180 16 residues pruned to eliminate duplicates Z: 6 6.179 1.450 0.469 0.783 1.000 0.800 CB 1.011 Z: 15 16.152 1.850 0.333 0.927 1.000 1.000 CB 1.226 15 residues pruned to eliminate duplicates Z: 25 27.410 2.057 0.898 0.551 1.000 0.625 CB 1.364 25 residues pruned to eliminate duplicates Z: 26 23.340 1.991 0.716 0.560 1.000 0.600 CB 1.288 26 residues pruned to eliminate duplicates Z: 14 16.521 1.844 0.597 0.856 0.846 0.692 CB 1.356 14 residues pruned to eliminate duplicates Z: 7 7.832 1.801 0.764 0.606 0.667 0.333 CA 1.365 7 residues pruned to eliminate duplicates Z: 38 16.256 1.712 0.710 0.479 0.811 0.541 CB 1.151 38 residues pruned to eliminate duplicates Z: 8 8.049 1.850 0.262 0.882 1.000 0.857 CB 0.943 8 residues pruned to eliminate duplicates 6 1.515 1.507 0.597 0.477 0.800 0.600 CB 0.360 ? Z: 14 14.365 1.656 0.707 0.919 0.923 0.769 CB 1.076 Z: 8 9.110 1.834 0.594 0.782 1.000 0.571 CB 0.919 5 residues pruned to eliminate duplicates Z: 15 18.559 1.830 0.658 0.912 1.000 0.929 CB 1.158 15 residues pruned to eliminate duplicates Z: 9 7.056 1.476 0.375 0.648 0.875 0.250 O 1.224 Z: 11 14.753 1.951 0.723 0.824 1.000 0.900 CB 1.048 11 residues pruned to eliminate duplicates Z: 14 15.328 1.735 0.628 0.840 0.923 0.692 CB 1.217 Z: 14 18.573 1.873 0.851 0.811 1.000 0.769 CB 1.134 14 residues pruned to eliminate duplicates Z: 14 13.192 1.893 0.319 0.742 1.000 0.846 CB 1.180 14 residues pruned to eliminate duplicates Z: 23 11.023 1.768 0.301 0.309 0.818 0.409 CB 1.544 22 residues pruned to eliminate duplicates Z: 7 4.553 1.503 0.230 0.739 1.000 0.833 CB 0.811 Z: 16 10.781 1.659 0.635 0.896 0.933 0.667 CB 0.787 15 residues pruned to eliminate duplicates Z: 15 11.983 1.833 0.152 0.866 0.929 0.857 CB 1.195 15 residues pruned to eliminate duplicates Z: 12 19.339 1.963 0.667 0.920 1.000 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 15 16.240 1.965 0.868 0.661 0.857 0.714 CB 1.188 15 residues pruned to eliminate duplicates Z: 30 16.707 1.863 0.607 0.428 0.862 0.621 CB 1.295 31 residues pruned to eliminate duplicates Z: 34 17.769 1.842 0.641 0.521 0.848 0.576 CB 1.180 32 residues pruned to eliminate duplicates Z: 25 6.429 1.879 0.289 0.261 0.625 0.375 CB 1.140 25 residues pruned to eliminate duplicates Z: 14 20.790 1.946 0.551 0.901 1.000 0.923 CB 1.363 14 residues pruned to eliminate duplicates Z: 7 5.239 1.641 0.494 0.422 0.833 0.500 N 1.135 Z: 33 20.433 1.792 0.515 0.558 0.938 0.688 CB 1.341 32 residues pruned to eliminate duplicates Z: 14 15.273 1.597 0.485 0.891 1.000 0.692 CB 1.284 Z: 34 15.797 1.848 0.525 0.374 0.818 0.455 CB 1.364 33 residues pruned to eliminate duplicates Z: 6 5.742 1.555 0.316 0.624 1.000 0.800 CB 1.117 6 residues pruned to eliminate duplicates Z: 14 5.881 1.590 0.255 0.495 0.846 0.692 CB 0.970 14 residues pruned to eliminate duplicates Z: 45 20.895 1.822 0.520 0.523 0.886 0.659 CB 1.254 35 residues pruned to eliminate duplicates Z: 16 13.827 1.902 0.530 0.783 0.933 0.733 CB 1.024 16 residues pruned to eliminate duplicates Z: 13 13.979 1.693 0.470 0.880 1.000 0.833 CB 1.175 13 residues pruned to eliminate duplicates Z: 14 17.473 1.828 0.514 0.791 1.000 0.692 CB 1.356 14 residues pruned to eliminate duplicates Z: 21 9.841 1.682 0.505 0.368 0.850 0.450 CB 1.178 21 residues pruned to eliminate duplicates Z: 7 3.722 1.696 0.243 0.407 0.833 0.667 CB 0.954 Z: 15 18.503 1.859 0.517 0.910 1.000 0.786 CB 1.243 15 residues pruned to eliminate duplicates Z: 17 9.661 1.775 0.425 0.299 0.875 0.375 CB 1.366 8 residues pruned to eliminate duplicates Z: 18 24.224 1.881 0.784 0.832 1.000 0.588 CB 1.314 17 residues pruned to eliminate duplicates Z: 33 14.580 1.813 0.525 0.374 0.875 0.531 CB 1.218 33 residues pruned to eliminate duplicates Z: 13 18.059 1.908 0.551 0.896 1.000 0.917 CB 1.262 13 residues pruned to eliminate duplicates Z: 9 12.797 2.004 0.278 0.656 1.000 0.875 CA 1.529 Z: 8 13.019 1.826 0.368 0.801 1.000 0.857 N 1.514 8 residues pruned to eliminate duplicates Z: 7 5.001 1.583 0.050 0.609 1.000 1.000 CB 1.108 Z: 14 15.705 1.787 0.617 0.855 1.000 0.846 CB 1.112 14 residues pruned to eliminate duplicates Z: 7 5.393 1.794 -0.004 0.671 1.000 0.667 CB 1.053 Z: 14 13.352 1.728 0.335 0.745 1.000 0.692 CB 1.289 Z: 7 4.739 1.944 0.040 0.722 0.833 0.333 CB 0.940 Z: 14 25.352 2.100 0.838 0.712 1.000 0.769 CB 1.503 14 residues pruned to eliminate duplicates Z: 19 14.969 1.754 0.798 0.400 1.000 0.611 CB 1.244 18 residues pruned to eliminate duplicates Z: 11 6.781 1.690 0.548 0.326 0.700 0.400 CB 1.417 Z: 22 18.494 1.992 0.928 0.597 0.857 0.429 CB 1.117 21 residues pruned to eliminate duplicates Z: 24 11.293 1.812 0.429 0.482 0.870 0.652 CB 1.065 27 residues pruned to eliminate duplicates Z: 7 2.291 1.667 0.479 0.295 0.500 0.333 CB 0.954 Z: 7 2.668 1.774 -0.280 0.542 1.000 0.667 CB 0.818 Z: 8 3.742 1.548 0.682 0.266 0.714 0.429 CB 0.993 Z: 46 22.902 1.908 0.578 0.503 0.956 0.578 CB 1.183 39 residues pruned to eliminate duplicates Z: 6 3.038 1.712 0.148 0.419 0.800 0.600 CB 0.940 Z: 11 4.558 1.642 0.150 0.428 0.900 0.700 CB 0.914 5 residues pruned to eliminate duplicates Z: 13 5.308 1.414 0.743 0.695 0.667 0.333 CB 0.780 13 residues pruned to eliminate duplicates Z: 10 5.040 1.631 0.460 0.437 0.778 0.556 N 0.968 17 residues pruned to eliminate duplicates Z: 14 18.620 1.612 0.715 0.800 1.000 0.769 CB 1.437 14 residues pruned to eliminate duplicates Z: 14 15.865 1.918 0.385 0.859 0.923 0.846 CB 1.320 14 residues pruned to eliminate duplicates Z: 6 3.040 1.467 0.358 0.260 0.800 0.600 C 1.122 6 residues pruned to eliminate duplicates Z: 9 5.094 1.445 0.242 0.491 0.875 0.250 N 1.157 Z: 12 14.496 1.680 0.703 0.880 1.000 0.909 CB 1.106 13 residues pruned to eliminate duplicates Z: 16 10.445 1.628 0.439 0.884 0.867 0.800 CB 0.960 16 residues pruned to eliminate duplicates Z: 15 6.751 1.580 0.536 0.375 0.857 0.500 CB 0.992 15 residues pruned to eliminate duplicates Z: 8 5.507 1.768 0.164 0.609 1.000 0.571 CB 0.913 7 residues pruned to eliminate duplicates Z: 12 18.466 1.751 0.835 0.909 1.000 0.636 CB 1.230 12 residues pruned to eliminate duplicates Z: 14 22.559 1.834 0.809 0.819 1.000 0.769 N 1.430 18 residues pruned to eliminate duplicates Z: 7 2.338 1.467 0.233 0.273 0.667 0.500 CB 1.024 Z: 16 10.134 1.734 0.462 0.548 0.867 0.600 CB 1.137 16 residues pruned to eliminate duplicates Z: 14 14.543 1.707 0.627 0.833 1.000 0.538 CB 1.089 14 residues pruned to eliminate duplicates Z: 14 12.467 1.825 0.709 0.605 0.923 0.538 CB 1.086 14 residues pruned to eliminate duplicates Z: 36 19.921 1.865 0.625 0.555 0.886 0.600 CB 1.188 36 residues pruned to eliminate duplicates Z: 18 13.520 1.875 0.837 0.455 0.824 0.529 CB 1.210 19 residues pruned to eliminate duplicates Z: 16 6.584 1.604 0.532 0.460 0.733 0.333 CB 0.982 16 residues pruned to eliminate duplicates Z: 8 7.584 1.656 0.622 0.717 0.857 0.714 CA 1.023 8 residues pruned to eliminate duplicates Z: 8 7.344 1.767 0.284 0.683 0.857 0.857 CB 1.207 7 residues pruned to eliminate duplicates Z: 21 7.566 1.771 0.375 0.366 0.850 0.500 CB 0.944 Z: 6 3.469 1.465 0.709 0.355 0.600 0.600 CB 1.208 Z: 7 4.319 1.658 0.604 0.250 0.667 0.667 N 1.326 7 residues pruned to eliminate duplicates Z: 18 22.011 1.963 0.569 0.809 1.000 0.824 CB 1.323 18 residues pruned to eliminate duplicates Z: 7 5.094 1.635 0.595 0.801 0.833 0.833 CB 0.735 7 residues pruned to eliminate duplicates Z: 11 6.710 1.472 0.587 0.596 0.700 0.600 CB 1.184 Z: 13 21.145 1.982 0.700 0.803 1.000 0.583 CB 1.390 13 residues pruned to eliminate duplicates Z: 6 2.018 1.548 0.179 0.217 1.000 0.400 CB 0.690 6 residues pruned to eliminate duplicates Z: 8 4.985 1.327 0.227 0.767 1.000 1.000 CB 0.913 8 residues pruned to eliminate duplicates Z: 9 5.616 1.704 0.480 0.515 1.000 0.625 CB 0.776 9 residues pruned to eliminate duplicates Z: 12 8.404 1.993 0.289 0.403 0.909 0.636 CB 1.202 12 residues pruned to eliminate duplicates Z: 15 18.079 1.813 0.548 0.779 0.929 0.714 CB 1.448 15 residues pruned to eliminate duplicates Z: 12 11.936 1.928 0.387 0.545 1.000 0.727 CB 1.288 9 residues pruned to eliminate duplicates Z: 6 3.836 1.508 0.669 0.452 0.800 0.800 CB 0.894 Z: 6 2.043 1.469 0.039 0.460 0.800 0.600 CB 0.780 6 residues pruned to eliminate duplicates Z: 11 16.067 1.880 0.833 0.874 0.900 0.700 CB 1.192 13 residues pruned to eliminate duplicates Z: 10 9.977 1.711 0.395 0.840 0.889 0.778 CA 1.170 10 residues pruned to eliminate duplicates Z: 10 10.020 1.729 0.781 0.419 0.889 0.556 CB 1.328 9 residues pruned to eliminate duplicates Z: 9 7.736 1.490 0.583 0.831 1.000 0.875 N 0.872 9 residues pruned to eliminate duplicates Z: 21 8.750 1.684 0.559 0.290 0.900 0.500 CB 1.048 21 residues pruned to eliminate duplicates Z: 15 24.098 1.948 0.715 0.900 1.000 0.929 CB 1.377 15 residues pruned to eliminate duplicates 6 1.490 1.575 -0.081 0.394 0.800 0.400 CB 0.644 ? Z: 11 17.142 1.873 0.512 0.893 1.000 0.700 CB 1.374 11 residues pruned to eliminate duplicates Z: 14 11.738 1.887 0.466 0.442 0.923 0.538 CB 1.354 14 residues pruned to eliminate duplicates Z: 27 14.284 1.852 0.271 0.551 0.885 0.654 CB 1.280 27 residues pruned to eliminate duplicates Z: 9 3.332 1.658 -0.105 0.365 0.750 0.375 CB 1.224 Z: 11 6.941 1.681 0.577 0.339 0.800 0.500 CB 1.233 Z: 6 7.743 1.699 0.197 0.840 1.000 0.800 CB 1.271 6 residues pruned to eliminate duplicates Z: 23 10.273 1.599 0.452 0.496 0.955 0.727 CB 0.993 17 residues pruned to eliminate duplicates Z: 19 10.955 1.845 0.545 0.443 0.833 0.611 CB 1.154 14 residues pruned to eliminate duplicates Z: 7 3.305 1.842 -0.126 0.500 0.667 0.667 N 1.257 7 residues pruned to eliminate duplicates Z: 13 12.961 1.728 0.552 0.561 1.000 0.667 CB 1.315 13 residues pruned to eliminate duplicates Z: 21 13.394 1.884 0.403 0.390 0.850 0.600 CB 1.497 21 residues pruned to eliminate duplicates Z: 17 12.120 1.776 0.754 0.467 0.875 0.688 CB 1.150 15 residues pruned to eliminate duplicates Z: 12 9.150 1.754 0.439 0.479 0.909 0.545 CB 1.228 13 residues pruned to eliminate duplicates Z: 15 24.103 1.951 0.580 0.896 1.000 0.857 CB 1.497 15 residues pruned to eliminate duplicates Z: 14 10.673 1.756 0.713 0.564 0.923 0.615 CB 1.002 14 residues pruned to eliminate duplicates Z: 10 11.467 1.661 1.055 0.534 0.889 0.667 CB 1.218 9 residues pruned to eliminate duplicates Z: 8 2.273 1.391 0.246 0.254 0.857 0.714 O 0.767 Z: 11 3.946 1.536 0.093 0.314 0.900 0.400 CB 1.015 6 residues pruned to eliminate duplicates 6 1.762 1.386 0.312 0.305 0.600 0.400 CB 0.896 ? Z: 29 18.508 1.905 0.533 0.527 0.857 0.571 CB 1.359 29 residues pruned to eliminate duplicates Z: 11 6.998 1.725 0.371 0.707 0.900 0.800 CB 0.861 Z: 27 12.597 1.658 0.361 0.532 0.962 0.692 CB 1.103 Z: 14 10.222 1.815 0.220 0.524 1.000 0.538 CB 1.250 14 residues pruned to eliminate duplicates Z: 15 23.040 1.924 0.558 0.899 1.000 0.929 CB 1.468 15 residues pruned to eliminate duplicates Z: 8 6.501 1.732 0.307 0.687 0.857 0.857 CB 1.067 8 residues pruned to eliminate duplicates Z: 18 7.684 1.751 0.530 0.449 0.824 0.529 CB 0.890 18 residues pruned to eliminate duplicates Z: 14 19.929 1.840 0.635 0.894 1.000 1.000 CB 1.319 14 residues pruned to eliminate duplicates Z: 15 12.634 1.657 0.222 0.896 1.000 0.929 CB 1.195 15 residues pruned to eliminate duplicates Z: 10 3.547 1.566 0.217 0.246 0.778 0.667 CB 1.068 Z: 13 7.434 1.807 0.404 0.464 0.917 0.750 CB 0.958 13 residues pruned to eliminate duplicates Z: 17 7.145 1.780 0.480 0.297 0.812 0.438 CB 1.048 17 residues pruned to eliminate duplicates Z: 7 2.143 1.404 0.098 0.689 1.000 0.833 CB 0.477 7 residues pruned to eliminate duplicates Z: 6 5.442 1.777 0.182 0.616 0.800 0.800 CB 1.298 Z: 14 14.702 1.837 0.880 0.713 0.923 0.538 CB 1.055 14 residues pruned to eliminate duplicates Z: 6 6.068 1.586 0.346 0.746 0.800 0.800 CA 1.275 6 residues pruned to eliminate duplicates Z: 12 12.832 1.726 0.628 0.883 1.000 0.909 CB 0.996 12 residues pruned to eliminate duplicates Z: 12 13.754 1.701 0.718 0.913 1.000 0.636 CB 1.004 11 residues pruned to eliminate duplicates Z: 11 8.438 1.508 0.612 0.824 0.900 0.500 CB 0.922 11 residues pruned to eliminate duplicates Z: 9 11.848 1.533 0.916 0.694 1.000 0.500 N 1.195 9 residues pruned to eliminate duplicates Z: 13 18.592 1.743 0.730 0.883 1.000 0.833 CB 1.287 13 residues pruned to eliminate duplicates Z: 13 15.303 1.780 0.638 0.871 1.000 0.917 CB 1.105 13 residues pruned to eliminate duplicates Z: 9 3.845 1.476 0.808 0.307 0.750 0.500 N 0.842 Z: 9 10.235 1.662 0.829 0.658 0.875 0.875 CB 1.174 11 residues pruned to eliminate duplicates Z: 8 11.307 1.637 0.619 0.694 1.000 0.714 CA 1.351 8 residues pruned to eliminate duplicates Z: 8 10.210 1.756 0.761 0.462 1.000 0.714 N 1.298 Z: 15 14.879 1.940 0.687 0.585 0.929 0.786 CB 1.207 15 residues pruned to eliminate duplicates Z: 8 10.546 1.774 0.285 0.862 1.000 1.000 CB 1.285 8 residues pruned to eliminate duplicates Z: 14 22.833 1.855 0.748 0.916 1.000 0.923 CB 1.379 16 residues pruned to eliminate duplicates Z: 6 9.895 1.904 0.280 0.848 1.000 0.800 CA 1.348 6 residues pruned to eliminate duplicates Z: 10 12.647 1.842 0.610 0.531 1.000 0.667 CB 1.379 8 residues pruned to eliminate duplicates Z: 13 9.315 1.726 0.528 0.480 0.750 0.583 O 1.387 13 residues pruned to eliminate duplicates Z: 15 15.287 1.589 0.955 0.802 0.929 0.500 CB 1.088 15 residues pruned to eliminate duplicates Z: 6 3.125 1.338 0.443 0.430 0.800 0.400 N 0.973 Z: 8 2.627 1.464 0.272 0.577 0.714 0.571 CB 0.694 Z: 15 13.115 1.582 0.520 0.834 1.000 0.857 CB 1.092 14 residues pruned to eliminate duplicates 7 1.900 1.605 0.548 0.733 0.667 0.500 CB 0.380 ? Z: 15 15.340 1.853 0.335 0.878 1.000 0.786 CB 1.203 15 residues pruned to eliminate duplicates Z: 7 6.183 1.419 0.140 0.858 1.000 0.833 CB 1.148 Z: 13 14.769 1.675 0.608 0.914 1.000 0.917 CB 1.119 13 residues pruned to eliminate duplicates Z: 7 7.317 1.403 0.587 0.878 1.000 0.667 CB 0.973 Z: 28 18.452 1.837 0.412 0.632 0.926 0.593 CB 1.306 28 residues pruned to eliminate duplicates Z: 15 18.760 1.895 0.623 0.751 0.929 0.643 CB 1.403 15 residues pruned to eliminate duplicates Z: 15 16.702 1.761 0.629 0.901 1.000 0.929 CB 1.111 19 residues pruned to eliminate duplicates Z: 15 13.774 1.759 0.717 0.450 1.000 0.500 CB 1.283 15 residues pruned to eliminate duplicates Z: 6 9.300 1.925 -0.037 0.846 1.000 0.800 N 1.667 6 residues pruned to eliminate duplicates Z: 16 15.359 1.733 0.774 0.787 0.933 0.533 CB 1.074 15 residues pruned to eliminate duplicates Z: 6 7.790 1.919 0.395 0.762 0.800 0.800 CB 1.290 6 residues pruned to eliminate duplicates Z: 10 15.002 1.763 0.634 0.882 1.000 1.000 CB 1.256 10 residues pruned to eliminate duplicates Z: 13 6.210 1.742 0.395 0.335 0.750 0.417 CB 1.178 Z: 8 2.123 1.776 0.313 0.227 0.571 0.429 CB 0.829 Z: 17 18.066 1.694 0.542 0.761 0.938 0.750 CB 1.463 17 residues pruned to eliminate duplicates Z: 7 4.915 1.809 0.225 0.321 0.833 0.500 CB 1.322 Z: 19 16.930 2.008 0.503 0.475 0.944 0.556 CB 1.435 19 residues pruned to eliminate duplicates Z: 8 5.439 1.844 0.167 0.355 1.000 0.429 CB 1.118 Z: 9 2.226 1.538 0.376 0.214 0.750 0.375 CB 0.695 Z: 12 11.650 1.693 0.558 0.837 1.000 0.909 CB 0.996 12 residues pruned to eliminate duplicates Z: 14 9.287 1.642 0.497 0.516 0.923 0.692 N 1.118 Z: 11 10.510 1.660 0.729 0.708 0.900 0.700 CB 1.066 11 residues pruned to eliminate duplicates Z: 11 2.669 1.657 -0.002 0.271 0.800 0.500 CB 0.828 Z: 13 10.165 1.601 0.713 0.847 1.000 0.833 CB 0.795 13 residues pruned to eliminate duplicates Z: 8 6.928 1.556 0.704 0.380 0.857 0.429 N 1.310 8 residues pruned to eliminate duplicates Z: 6 3.310 1.703 0.707 0.272 0.600 0.400 CB 1.099 5 residues pruned to eliminate duplicates Z: 15 14.875 1.779 0.269 0.894 1.000 0.857 CB 1.262 15 residues pruned to eliminate duplicates Z: 6 6.603 1.650 0.471 0.735 1.000 0.800 CB 0.986 Z: 15 15.504 1.689 0.661 0.851 0.929 0.714 CB 1.178 15 residues pruned to eliminate duplicates Z: 13 10.657 1.758 0.605 0.803 0.833 0.667 CB 1.004 13 residues pruned to eliminate duplicates Z: 7 6.517 1.704 0.403 0.671 0.833 0.500 CA 1.141 7 residues pruned to eliminate duplicates Z: 23 13.094 1.865 0.541 0.353 0.864 0.500 CB 1.318 23 residues pruned to eliminate duplicates Z: 11 9.498 1.608 0.202 0.716 1.000 0.700 CB 1.279 12 residues pruned to eliminate duplicates Z: 11 3.165 1.638 0.210 0.387 0.500 0.300 CB 1.138 Z: 9 8.752 1.745 0.564 0.474 1.000 0.750 CB 1.164 9 residues pruned to eliminate duplicates Z: 14 7.613 1.833 0.669 0.289 0.923 0.538 CB 0.947 4 residues pruned to eliminate duplicates Z: 19 8.741 1.605 0.397 0.483 0.833 0.500 CB 1.123 24 residues pruned to eliminate duplicates Z: 8 9.383 1.623 0.339 0.738 1.000 0.714 CA 1.318 8 residues pruned to eliminate duplicates Z: 13 13.130 1.857 0.675 0.693 0.833 0.417 CB 1.225 13 residues pruned to eliminate duplicates Z: 16 22.678 1.926 0.948 0.771 0.933 0.733 CB 1.315 16 residues pruned to eliminate duplicates Z: 14 21.307 1.879 0.801 0.915 1.000 0.846 CB 1.234 14 residues pruned to eliminate duplicates 7 1.030 1.383 0.063 0.243 0.667 0.500 CB 0.577 ? Z: 14 15.165 1.672 0.562 0.883 1.000 0.846 CB 1.164 15 residues pruned to eliminate duplicates Z: 8 5.389 1.807 0.678 0.406 0.714 0.286 CB 1.038 Z: 13 13.539 1.726 0.811 0.862 0.917 0.750 CB 1.001 13 residues pruned to eliminate duplicates Z: 15 15.965 1.898 0.433 0.897 1.000 0.857 CB 1.123 15 residues pruned to eliminate duplicates Z: 11 8.102 1.679 0.676 0.540 1.000 0.600 CB 0.875 12 residues pruned to eliminate duplicates Z: 15 19.033 1.846 0.828 0.864 1.000 0.786 CB 1.105 15 residues pruned to eliminate duplicates Z: 8 11.398 1.700 0.981 0.564 1.000 0.571 CB 1.203 Z: 9 12.780 1.874 0.556 0.506 1.000 0.500 CA 1.541 9 residues pruned to eliminate duplicates Z: 6 3.973 1.629 0.026 0.767 1.000 0.800 CB 0.839 Z: 6 4.842 1.530 0.603 0.284 1.000 0.600 N 1.126 Z: 7 6.532 1.714 0.793 0.528 0.833 0.667 CB 1.013 7 residues pruned to eliminate duplicates Z: 15 21.782 1.793 0.839 0.826 0.929 0.643 CB 1.433 15 residues pruned to eliminate duplicates Z: 12 9.446 1.686 0.421 0.871 1.000 1.000 CB 0.867 12 residues pruned to eliminate duplicates Z: 19 9.516 1.593 0.799 0.539 0.722 0.389 CB 1.043 19 residues pruned to eliminate duplicates Z: 18 17.232 1.765 0.650 0.681 0.941 0.647 CB 1.291 18 residues pruned to eliminate duplicates Z: 10 8.528 1.704 0.572 0.602 1.000 0.778 CB 0.963 8 residues pruned to eliminate duplicates Z: 6 3.380 1.639 0.374 0.693 1.000 0.800 CB 0.563 Z: 7 9.881 1.797 0.742 0.715 1.000 0.667 CB 1.060 7 residues pruned to eliminate duplicates Z: 10 10.638 1.912 0.476 0.418 0.889 0.444 CB 1.539 21 residues pruned to eliminate duplicates Z: 8 6.442 1.537 0.398 0.707 0.857 0.429 CB 1.095 Z: 16 5.572 1.790 0.389 0.236 0.800 0.400 CB 0.983 17 residues pruned to eliminate duplicates Z: 7 4.968 1.531 0.246 0.607 0.833 0.667 CA 1.153 Z: 43 15.390 1.712 0.584 0.399 0.786 0.333 CB 1.240 95 residues pruned to eliminate duplicates Z: 10 17.511 1.887 0.504 0.876 1.000 0.889 CB 1.495 10 residues pruned to eliminate duplicates Z: 23 17.589 1.876 0.741 0.540 0.864 0.682 CB 1.279 23 residues pruned to eliminate duplicates 6 1.502 1.394 -0.131 0.288 0.600 0.400 CB 1.172 ? Z: 7 7.381 1.835 -0.094 0.700 1.000 0.667 CA 1.510 7 residues pruned to eliminate duplicates Z: 7 5.215 1.339 0.600 0.768 1.000 0.500 CB 0.784 Z: 8 2.299 1.547 0.150 0.273 0.714 0.571 N 0.884 Z: 6 5.735 1.603 1.044 0.693 0.800 0.800 CB 0.821 Z: 7 5.526 1.660 0.432 0.374 0.833 0.500 CB 1.303 7 residues pruned to eliminate duplicates Z: 18 10.649 1.850 0.422 0.453 0.824 0.588 CB 1.252 18 residues pruned to eliminate duplicates Z: 7 6.843 1.623 0.248 0.805 1.000 0.833 CB 1.057 Z: 8 11.469 1.739 0.649 0.626 1.000 0.857 CB 1.342 Z: 10 2.695 1.326 -0.101 0.429 1.000 0.556 CB 0.812 10 residues pruned to eliminate duplicates Z: 31 18.902 1.817 0.465 0.595 0.933 0.633 CB 1.269 31 residues pruned to eliminate duplicates Z: 7 9.080 1.787 0.311 0.791 1.000 0.333 N 1.226 7 residues pruned to eliminate duplicates Z: 13 3.935 1.532 0.218 0.447 0.750 0.417 CB 0.858 15 residues pruned to eliminate duplicates Z: 6 4.303 1.455 0.620 0.655 1.000 0.800 CA 0.707 Z: 18 23.664 1.974 0.576 0.825 1.000 0.882 CB 1.392 18 residues pruned to eliminate duplicates Z: 9 6.715 1.774 0.428 0.515 0.750 0.500 CB 1.231 Z: 12 3.490 1.559 0.141 0.297 0.727 0.455 N 1.021 12 residues pruned to eliminate duplicates Z: 10 4.568 1.503 0.466 0.512 0.889 0.444 CB 0.768 Z: 12 10.361 1.686 0.379 0.827 0.909 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 11 6.289 1.709 0.218 0.348 0.900 0.400 CB 1.251 8 residues pruned to eliminate duplicates Z: 6 8.931 1.744 0.456 0.785 1.000 0.600 CB 1.224 6 residues pruned to eliminate duplicates Z: 8 7.472 1.647 0.226 0.901 1.000 0.857 CB 0.998 8 residues pruned to eliminate duplicates Z: 7 5.943 1.561 0.310 0.387 1.000 0.667 CB 1.337 5 residues pruned to eliminate duplicates Z: 6 9.024 1.886 0.072 0.833 1.000 0.800 N 1.498 6 residues pruned to eliminate duplicates Z: 9 8.280 1.666 0.467 0.565 1.000 0.625 CB 1.125 9 residues pruned to eliminate duplicates Z: 16 4.146 1.518 0.767 0.260 0.667 0.333 CB 0.787 Z: 7 2.094 1.566 -0.117 0.461 1.000 0.667 CB 0.643 7 residues pruned to eliminate duplicates Z: 11 5.939 1.496 0.449 0.413 1.000 0.600 CB 0.950 8 residues pruned to eliminate duplicates Z: 18 20.078 1.843 0.480 0.841 1.000 0.765 CB 1.331 18 residues pruned to eliminate duplicates Z: 6 8.619 1.466 0.883 0.782 1.000 0.800 N 1.090 6 residues pruned to eliminate duplicates Z: 9 13.683 1.815 0.715 0.581 1.000 0.375 CA 1.438 9 residues pruned to eliminate duplicates Z: 14 4.545 1.414 0.665 0.224 0.769 0.385 N 0.961 Z: 9 4.378 1.773 0.153 0.466 0.625 0.500 CB 1.254 7 residues pruned to eliminate duplicates Z: 16 10.273 1.727 0.043 0.794 1.000 0.867 CB 1.137 16 residues pruned to eliminate duplicates Z: 12 15.291 1.814 0.797 0.578 1.000 0.636 CB 1.311 12 residues pruned to eliminate duplicates Z: 8 5.959 1.425 0.502 0.598 1.000 0.571 CB 0.959 Z: 31 12.294 1.711 0.403 0.562 0.833 0.633 CB 1.057 25 residues pruned to eliminate duplicates Z: 16 13.764 1.776 0.781 0.415 0.933 0.733 CB 1.316 16 residues pruned to eliminate duplicates Z: 9 2.664 1.408 0.078 0.444 0.750 0.500 CB 0.876 9 residues pruned to eliminate duplicates Z: 7 4.191 1.399 0.209 0.591 1.000 0.833 CB 0.928 Z: 12 13.728 1.708 0.562 0.838 1.000 0.727 CB 1.159 12 residues pruned to eliminate duplicates Z: 27 12.058 1.776 0.445 0.562 0.885 0.615 CB 0.980 27 residues pruned to eliminate duplicates Z: 8 3.727 1.762 0.391 0.732 1.000 0.714 CB 0.466 7 1.200 1.362 0.360 0.659 0.667 0.500 CB 0.342 ? Z: 35 10.050 1.632 0.368 0.414 0.765 0.500 CB 1.104 31 residues pruned to eliminate duplicates Z: 7 6.906 1.758 0.389 0.616 0.833 0.833 CB 1.242 Z: 10 11.602 1.852 0.684 0.769 0.889 0.667 CB 1.100 10 residues pruned to eliminate duplicates Z: 7 3.580 1.483 0.149 0.489 0.833 0.500 N 1.042 Z: 10 5.739 1.524 0.970 0.915 1.000 0.889 CB 0.451 Z: 8 6.483 1.579 0.371 0.604 0.857 0.571 N 1.196 9 residues pruned to eliminate duplicates Z: 18 15.147 1.880 0.415 0.575 0.941 0.765 CB 1.365 18 residues pruned to eliminate duplicates Z: 9 6.842 1.563 0.590 0.588 0.875 0.750 CB 1.023 9 residues pruned to eliminate duplicates Z: 7 7.161 1.664 0.306 0.843 1.000 0.833 CA 1.001 7 residues pruned to eliminate duplicates Z: 16 18.410 1.893 0.531 0.828 1.000 0.867 CB 1.235 16 residues pruned to eliminate duplicates Z: 7 6.055 1.786 0.762 0.397 0.667 0.500 N 1.313 7 residues pruned to eliminate duplicates Z: 18 14.250 1.714 0.574 0.677 0.941 0.588 CB 1.156 22 residues pruned to eliminate duplicates Z: 6 5.698 1.529 0.860 0.430 0.800 0.600 N 1.205 Z: 8 2.282 1.538 0.398 0.282 0.571 0.429 N 0.898 Z: 15 5.012 1.582 0.327 0.334 0.714 0.286 CB 1.072 16 residues pruned to eliminate duplicates Z: 9 2.320 1.421 -0.016 0.287 0.875 0.375 CB 0.853 Z: 15 6.475 1.715 0.202 0.306 0.786 0.500 CB 1.325 15 residues pruned to eliminate duplicates Z: 24 10.842 1.760 0.262 0.499 0.870 0.652 CB 1.172 39 residues pruned to eliminate duplicates Z: 6 4.011 1.536 0.528 0.368 1.000 0.400 CB 0.881 Z: 7 2.702 1.656 0.366 0.366 0.833 0.667 CB 0.676 7 residues pruned to eliminate duplicates Z: 13 3.394 1.531 0.335 0.279 0.667 0.333 CB 0.923 Z: 7 4.644 1.447 0.488 0.660 1.000 0.667 CB 0.759 6 residues pruned to eliminate duplicates Z: 8 5.829 1.552 0.863 0.456 0.714 0.714 CB 1.116 Z: 25 14.888 1.696 0.400 0.617 0.958 0.625 CB 1.196 25 residues pruned to eliminate duplicates Z: 7 5.902 1.842 -0.191 0.831 1.000 1.000 CB 1.214 Z: 18 15.257 1.795 0.438 0.789 0.941 0.706 CB 1.182 18 residues pruned to eliminate duplicates Z: 9 3.033 1.476 0.207 0.330 0.875 0.375 CB 0.829 Z: 6 4.421 1.421 0.706 0.465 0.800 0.600 N 1.056 6 residues pruned to eliminate duplicates Z: 6 4.605 1.566 0.034 0.785 1.000 0.600 CB 0.990 6 residues pruned to eliminate duplicates Z: 13 10.263 1.727 0.540 0.362 0.917 0.333 N 1.409 13 residues pruned to eliminate duplicates Z: 15 16.569 1.872 0.717 0.746 1.000 0.786 CB 1.106 15 residues pruned to eliminate duplicates Z: 27 11.315 1.660 0.408 0.507 0.885 0.731 CB 1.066 27 residues pruned to eliminate duplicates Z: 6 2.723 1.556 0.118 0.471 0.800 0.400 CA 0.901 6 residues pruned to eliminate duplicates Z: 12 11.004 1.555 0.402 0.844 0.909 0.727 CB 1.245 12 residues pruned to eliminate duplicates Z: 13 12.860 1.578 0.751 0.818 1.000 0.667 CB 1.019 12 residues pruned to eliminate duplicates Z: 8 13.009 1.719 0.966 0.733 1.000 0.714 CA 1.180 8 residues pruned to eliminate duplicates Z: 7 6.534 1.613 0.663 0.659 0.833 0.833 O 1.030 7 residues pruned to eliminate duplicates Z: 16 12.312 1.849 0.291 0.445 1.000 0.600 CB 1.410 16 residues pruned to eliminate duplicates 6 1.464 1.370 0.005 0.480 0.600 0.600 CB 0.809 ? Z: 9 8.303 1.576 0.646 0.476 0.875 0.375 CB 1.324 Z: 14 14.023 1.882 0.248 0.898 1.000 0.923 CB 1.185 14 residues pruned to eliminate duplicates Z: 13 4.316 1.712 0.257 0.376 0.750 0.583 CB 0.881 13 residues pruned to eliminate duplicates Z: 7 4.926 1.945 -0.151 0.884 1.000 1.000 CB 0.880 7 residues pruned to eliminate duplicates Z: 14 8.766 1.646 0.771 0.565 0.769 0.769 CB 1.018 11 residues pruned to eliminate duplicates Z: 13 4.944 1.577 0.323 0.174 0.833 0.417 CA 1.218 9 residues pruned to eliminate duplicates Z: 10 3.504 1.454 0.227 0.354 0.667 0.333 N 1.150 Z: 10 4.747 1.499 1.033 0.335 0.778 0.333 CB 0.799 Z: 6 3.682 1.213 0.496 0.751 0.800 0.800 CB 0.907 Z: 8 3.616 1.687 0.647 0.227 0.571 0.429 N 1.184 5 residues pruned to eliminate duplicates Z: 10 3.095 1.608 0.298 0.291 0.667 0.444 CB 0.937 Z: 14 8.266 1.580 0.802 0.421 0.769 0.538 N 1.137 8 residues pruned to eliminate duplicates Z: 13 11.501 1.858 0.677 0.846 0.833 0.667 CB 0.950 13 residues pruned to eliminate duplicates Z: 12 14.886 1.830 0.762 0.658 1.000 0.818 CB 1.202 12 residues pruned to eliminate duplicates Z: 11 8.019 1.598 0.420 0.887 1.000 1.000 CB 0.806 11 residues pruned to eliminate duplicates Z: 8 8.043 1.700 0.820 0.563 0.857 0.571 CB 1.079 10 residues pruned to eliminate duplicates Z: 6 6.663 1.704 0.010 0.686 1.000 1.000 CB 1.460 7 residues pruned to eliminate duplicates Z: 6 3.846 1.611 0.283 0.297 0.800 0.600 CA 1.305 6 residues pruned to eliminate duplicates Z: 7 4.195 1.419 0.477 0.557 0.667 0.667 CA 1.160 Z: 6 3.285 1.581 0.616 0.309 0.600 0.200 N 1.185 Z: 11 11.461 1.661 0.508 0.746 0.900 0.700 CB 1.291 10 residues pruned to eliminate duplicates Z: 17 17.001 1.824 0.438 0.817 1.000 0.812 CB 1.230 17 residues pruned to eliminate duplicates Z: 6 7.695 1.718 0.708 0.330 1.000 0.600 O 1.413 Z: 8 3.795 1.525 0.315 0.648 1.000 0.571 CB 0.624 Z: 23 12.447 1.806 0.344 0.639 0.864 0.682 CB 1.112 23 residues pruned to eliminate duplicates Z: 6 6.024 1.788 0.076 0.773 1.000 1.000 N 1.100 5 residues pruned to eliminate duplicates Z: 17 7.633 1.579 0.322 0.676 0.812 0.375 CB 0.957 17 residues pruned to eliminate duplicates Z: 9 8.913 1.726 0.735 0.480 0.875 0.375 CB 1.227 9 residues pruned to eliminate duplicates Z: 7 9.146 1.817 0.244 0.851 1.000 1.000 CB 1.223 Z: 8 5.679 1.313 0.945 0.461 0.857 0.429 O 1.020 Z: 12 2.321 1.382 0.499 0.146 0.727 0.364 CB 0.719 Z: 7 2.399 1.583 0.112 0.805 0.833 0.667 CB 0.512 5 residues pruned to eliminate duplicates Z: 8 3.777 1.468 0.363 0.300 0.857 0.286 CB 1.041 Z: 10 6.932 1.468 0.308 0.659 0.889 0.333 CB 1.168 Z: 8 3.784 1.282 0.525 0.364 1.000 0.429 N 0.847 Z: 10 7.976 1.899 0.147 0.657 0.889 0.667 CB 1.187 Z: 11 4.707 1.777 0.468 0.188 0.800 0.400 CB 1.038 12 residues pruned to eliminate duplicates Z: 14 13.848 1.731 0.724 0.566 0.846 0.385 CB 1.427 14 residues pruned to eliminate duplicates Z: 6 5.432 1.816 0.557 0.498 0.800 0.800 CB 1.076 6 residues pruned to eliminate duplicates Z: 8 7.450 1.522 0.924 0.853 0.857 0.571 CB 0.829 Z: 9 4.914 1.635 0.564 0.755 1.000 0.750 CB 0.542 9 residues pruned to eliminate duplicates Z: 15 16.505 1.732 0.427 0.785 1.000 0.857 CB 1.389 15 residues pruned to eliminate duplicates Z: 12 12.680 1.699 0.846 0.879 1.000 0.818 CB 0.884 12 residues pruned to eliminate duplicates Z: 6 5.093 1.560 0.129 0.524 1.000 0.400 CB 1.262 6 1.503 1.099 0.243 0.379 0.800 0.600 CB 0.700 ? Z: 13 10.740 1.771 0.692 0.464 0.833 0.583 N 1.288 13 residues pruned to eliminate duplicates Z: 7 9.046 1.742 0.888 0.599 0.833 0.333 CA 1.226 8 residues pruned to eliminate duplicates Z: 10 8.363 1.809 0.702 0.701 0.889 0.889 CB 0.848 7 residues pruned to eliminate duplicates Z: 7 4.486 1.376 0.487 0.564 1.000 0.500 CB 0.841 Z: 6 4.206 1.310 0.516 0.532 1.000 0.600 N 0.918 Z: 20 14.270 1.674 0.633 0.619 0.947 0.684 CB 1.130 18 residues pruned to eliminate duplicates Z: 8 6.058 1.480 0.563 0.725 0.857 0.429 O 0.943 Z: 12 3.656 1.496 0.147 0.442 0.727 0.364 CB 0.938 7 residues pruned to eliminate duplicates Z: 8 5.567 1.764 0.426 0.559 0.857 0.857 CB 0.921 Z: 22 10.234 1.692 0.515 0.507 0.810 0.619 CB 1.069 22 residues pruned to eliminate duplicates Z: 6 4.402 1.654 0.277 0.827 1.000 0.800 CB 0.703 6 residues pruned to eliminate duplicates Z: 8 8.589 1.899 0.522 0.816 0.857 0.714 CB 0.996 16 residues pruned to eliminate duplicates 6 1.853 1.346 0.587 0.265 0.600 0.600 CB 0.845 ? Z: 12 12.530 1.670 0.788 0.842 1.000 0.636 CB 0.942 12 residues pruned to eliminate duplicates Z: 6 4.230 1.487 0.501 0.658 0.800 0.800 N 0.915 Z: 9 7.777 1.798 0.549 0.631 0.875 0.625 CB 0.998 9 residues pruned to eliminate duplicates Z: 9 3.058 1.489 0.585 0.233 0.625 0.625 N 1.000 Z: 10 5.561 1.605 0.479 0.533 0.889 0.444 CB 0.851 8 residues pruned to eliminate duplicates Z: 12 10.218 1.682 0.334 0.882 1.000 0.909 CB 0.993 12 residues pruned to eliminate duplicates Z: 8 3.002 1.525 0.410 0.210 0.714 0.429 N 1.041 Z: 10 11.196 1.893 0.312 0.737 1.000 0.778 CB 1.215 10 residues pruned to eliminate duplicates Z: 6 5.933 1.922 0.368 0.482 0.800 0.800 O 1.284 Z: 14 12.495 1.580 0.628 0.694 0.923 0.615 CB 1.222 11 residues pruned to eliminate duplicates Z: 6 2.445 1.716 0.735 0.299 0.400 0.400 CB 1.149 Z: 9 4.283 1.394 0.138 0.537 0.875 0.750 CB 1.052 7 1.854 1.662 -0.015 0.299 0.667 0.500 CB 0.868 ? Z: 11 9.621 1.668 0.430 0.800 0.800 0.800 CB 1.226 11 residues pruned to eliminate duplicates Z: 12 5.218 1.549 0.536 0.586 0.727 0.455 CB 0.837 12 residues pruned to eliminate duplicates Z: 37 20.130 1.817 0.582 0.573 0.917 0.639 CB 1.187 37 residues pruned to eliminate duplicates Z: 9 2.822 1.505 0.218 0.219 0.750 0.375 N 1.009 Z: 6 2.494 1.363 0.001 0.834 1.000 0.800 CB 0.613 6 residues pruned to eliminate duplicates 6 1.942 1.405 0.799 0.290 0.600 0.600 CB 0.725 ? Z: 11 4.692 1.678 0.276 0.701 1.000 0.700 CB 0.577 Z: 20 13.693 1.738 0.592 0.635 0.895 0.368 CB 1.118 20 residues pruned to eliminate duplicates Z: 10 5.059 1.472 0.409 0.210 0.889 0.667 N 1.288 Z: 6 4.070 1.390 0.483 0.412 0.800 0.600 C 1.210 Z: 10 10.117 1.726 0.585 0.758 0.889 0.556 CB 1.102 10 residues pruned to eliminate duplicates Z: 6 11.015 1.861 0.662 0.853 1.000 0.800 CB 1.176 6 residues pruned to eliminate duplicates Z: 15 8.334 1.586 0.378 0.658 0.929 0.571 CB 0.948 11 residues pruned to eliminate duplicates Z: 8 2.170 1.524 0.413 0.071 0.714 0.286 CB 0.934 Z: 25 12.616 1.653 0.485 0.520 0.917 0.667 CB 1.122 25 residues pruned to eliminate duplicates Z: 6 6.911 1.472 0.656 0.714 1.000 0.600 N 1.045 Z: 7 2.807 1.716 0.326 0.592 0.833 0.667 CB 0.553 Z: 9 10.605 1.459 1.189 0.823 0.875 0.625 N 1.015 9 residues pruned to eliminate duplicates Z: 8 3.266 1.223 0.652 0.213 0.857 0.286 N 1.001 Z: 9 4.145 1.290 0.662 0.607 0.875 0.625 N 0.706 Z: 16 11.549 1.776 0.364 0.487 0.933 0.600 CB 1.336 16 residues pruned to eliminate duplicates Z: 14 10.974 1.738 0.591 0.433 0.846 0.615 CB 1.394 16 residues pruned to eliminate duplicates Z: 9 7.338 1.615 0.493 0.382 0.875 0.625 CA 1.394 Z: 6 9.875 1.660 0.643 0.815 1.000 1.000 CB 1.232 Z: 13 6.052 1.600 0.393 0.410 0.750 0.333 CB 1.149 16 residues pruned to eliminate duplicates Z: 8 5.626 1.521 0.190 0.717 1.000 0.571 CB 0.966 Z: 13 2.990 1.396 0.143 0.206 1.000 0.417 CB 0.767 Z: 16 8.381 1.572 0.637 0.768 0.933 0.600 CB 0.711 16 residues pruned to eliminate duplicates Z: 20 12.390 1.670 0.517 0.658 0.895 0.789 CB 1.083 20 residues pruned to eliminate duplicates Z: 14 14.920 1.874 0.608 0.805 1.000 0.769 CB 1.053 14 residues pruned to eliminate duplicates Z: 7 5.789 1.535 0.490 0.571 1.000 0.667 CB 0.965 Z: 6 3.089 1.430 0.220 0.832 1.000 0.600 CB 0.595 Z: 33 22.654 1.856 0.519 0.581 0.969 0.781 CB 1.356 33 residues pruned to eliminate duplicates Z: 16 15.463 1.872 0.525 0.743 1.000 0.600 CB 1.125 16 residues pruned to eliminate duplicates Z: 9 4.490 1.574 0.307 0.482 0.750 0.750 CB 1.048 9 residues pruned to eliminate duplicates Z: 9 3.171 1.612 0.286 0.363 0.875 0.500 CB 0.716 9 residues pruned to eliminate duplicates Z: 7 4.744 1.578 0.176 0.552 0.833 0.833 N 1.190 7 residues pruned to eliminate duplicates Z: 16 14.920 1.876 0.399 0.519 0.933 0.667 CB 1.543 16 residues pruned to eliminate duplicates Z: 7 4.736 1.558 0.848 0.573 0.667 0.500 CB 0.938 5 residues pruned to eliminate duplicates Z: 11 6.719 1.521 0.774 0.566 0.800 0.700 N 0.923 9 residues pruned to eliminate duplicates Z: 6 2.523 1.343 0.199 0.365 0.800 0.600 CB 1.014 Z: 6 2.146 1.546 0.369 0.181 0.600 0.400 C 1.111 3 residues pruned to eliminate duplicates Z: 11 4.771 1.672 0.422 0.491 0.900 0.600 CB 0.711 Z: 8 7.794 1.527 0.553 0.527 1.000 0.571 CB 1.209 6 residues pruned to eliminate duplicates Z: 7 3.679 1.697 0.187 0.418 0.667 0.333 N 1.218 7 residues pruned to eliminate duplicates Z: 14 16.665 1.763 0.835 0.662 1.000 0.923 CB 1.230 14 residues pruned to eliminate duplicates Z: 6 9.421 1.684 0.510 0.862 1.000 1.000 CA 1.216 7 residues pruned to eliminate duplicates Z: 19 15.171 1.751 0.633 0.495 0.944 0.778 CA 1.330 7 residues pruned to eliminate duplicates Z: 16 10.176 1.590 0.635 0.641 0.800 0.533 CB 1.107 16 residues pruned to eliminate duplicates Z: 10 6.319 1.489 0.620 0.272 0.889 0.444 N 1.273 Z: 10 8.469 1.826 0.733 0.586 0.778 0.444 CB 1.056 10 residues pruned to eliminate duplicates Z: 8 3.281 1.532 0.823 0.401 0.429 0.286 N 1.149 Z: 16 8.264 1.664 0.490 0.512 0.867 0.800 CB 0.981 16 residues pruned to eliminate duplicates Z: 34 19.302 1.902 0.302 0.584 0.970 0.697 CB 1.290 34 residues pruned to eliminate duplicates Z: 10 10.874 1.610 0.721 0.661 0.889 0.667 CB 1.267 10 residues pruned to eliminate duplicates Z: 14 9.758 1.353 0.803 0.706 0.923 0.538 CB 0.997 21 residues pruned to eliminate duplicates Z: 13 12.239 1.769 0.101 0.923 1.000 1.000 CB 1.274 12 residues pruned to eliminate duplicates Z: 9 15.238 1.839 0.859 0.733 1.000 0.875 CA 1.278 9 residues pruned to eliminate duplicates Z: 6 2.582 1.292 0.208 0.468 0.800 0.400 C 0.955 Z: 9 4.591 1.663 -0.078 0.700 1.000 0.500 CB 0.883 9 residues pruned to eliminate duplicates 6 1.373 1.471 0.128 0.468 0.600 0.600 CB 0.637 ? Z: 17 4.973 1.457 0.455 0.262 0.688 0.312 CB 1.119 Z: 11 9.291 1.559 0.683 0.590 0.900 0.700 CB 1.142 12 residues pruned to eliminate duplicates Z: 7 7.703 1.559 0.650 0.799 1.000 0.833 CB 0.941 Z: 7 4.739 1.638 0.537 0.559 0.667 0.667 CB 1.089 Z: 11 8.697 1.514 0.485 0.746 0.900 0.600 CB 1.091 11 residues pruned to eliminate duplicates Z: 7 3.901 1.561 0.538 0.792 1.000 0.667 CB 0.514 Z: 16 13.334 1.684 0.705 0.588 0.867 0.467 CB 1.272 11 residues pruned to eliminate duplicates Z: 6 5.916 1.662 0.187 0.695 1.000 0.800 CB 1.122 Z: 8 6.875 1.353 1.032 0.848 1.000 0.857 CB 0.702 7 1.840 1.319 -0.067 0.359 1.000 0.333 CB 0.710 ? 6 1.676 1.407 0.746 0.451 1.000 0.800 CB 0.321 ? Z: 16 7.637 1.622 0.616 0.707 0.867 0.533 CB 0.719 16 residues pruned to eliminate duplicates Z: 7 4.861 1.573 0.158 0.640 0.833 0.667 CB 1.147 7 residues pruned to eliminate duplicates Z: 15 7.888 1.758 0.409 0.481 0.857 0.714 CB 1.012 15 residues pruned to eliminate duplicates Z: 6 2.010 1.264 0.290 0.299 0.800 0.400 CA 0.862 Z: 6 4.941 1.528 0.426 0.819 1.000 1.000 CB 0.769 Z: 6 2.747 1.548 0.196 0.443 0.600 0.200 O 1.172 Using tripeptides from previous cycle as seeds Z: 6 4.013 1.499 0.562 0.446 1.000 0.600 CB 0.810 6 residues pruned to eliminate duplicates Z: 8 5.839 1.723 0.597 0.599 0.857 0.714 CB 0.851 8 residues pruned to eliminate duplicates Z: 7 9.611 1.617 0.545 0.661 1.000 0.167 CA 1.353 9 residues pruned to eliminate duplicates Z: 9 6.597 1.315 0.723 0.683 0.875 0.500 CA 0.995 9 residues pruned to eliminate duplicates Z: 10 5.302 1.461 0.947 0.194 0.889 0.333 N 1.007 10 residues pruned to eliminate duplicates Z: 7 5.531 1.630 0.799 0.444 0.833 0.333 CB 0.980 7 residues pruned to eliminate duplicates Z: 25 17.355 1.830 0.506 0.667 0.917 0.542 CB 1.202 25 residues pruned to eliminate duplicates Z: 14 10.857 1.829 0.707 0.527 0.846 0.692 CB 1.110 14 residues pruned to eliminate duplicates Z: 12 15.057 1.883 0.596 0.559 1.000 0.818 CB 1.426 12 residues pruned to eliminate duplicates Z: 12 11.097 1.828 0.753 0.554 0.909 0.818 CB 1.089 12 residues pruned to eliminate duplicates Z: 11 15.035 1.877 0.707 0.617 0.900 0.800 CB 1.476 11 residues pruned to eliminate duplicates Z: 12 13.144 1.983 0.703 0.592 0.909 0.727 CB 1.182 12 residues pruned to eliminate duplicates Z: 18 12.008 1.848 0.374 0.514 0.941 0.588 CB 1.202 18 residues pruned to eliminate duplicates Z: 16 12.482 1.863 0.466 0.484 0.933 0.667 CB 1.285 16 residues pruned to eliminate duplicates Z: 22 14.288 1.871 0.439 0.451 0.857 0.714 CA 1.421 22 residues pruned to eliminate duplicates Z: 13 8.949 1.950 0.101 0.446 0.917 0.667 CB 1.388 13 residues pruned to eliminate duplicates Z: 16 6.981 1.811 0.217 0.293 0.933 0.467 CB 1.106 16 residues pruned to eliminate duplicates Z: 22 9.490 1.684 0.468 0.305 0.857 0.667 CB 1.214 22 residues pruned to eliminate duplicates Z: 19 16.442 1.913 0.489 0.603 0.944 0.722 CB 1.306 19 residues pruned to eliminate duplicates Z: 17 18.405 1.966 0.374 0.753 0.938 0.688 CB 1.451 17 residues pruned to eliminate duplicates Z: 28 20.162 1.907 0.375 0.629 1.000 0.667 CB 1.311 28 residues pruned to eliminate duplicates Z: 33 17.550 1.897 0.396 0.538 0.938 0.656 CB 1.204 33 residues pruned to eliminate duplicates Z: 50 24.252 1.904 0.583 0.501 0.898 0.551 CB 1.279 50 residues pruned to eliminate duplicates Z: 41 29.484 1.934 0.599 0.633 0.950 0.650 CB 1.401 41 residues pruned to eliminate duplicates Z: 24 15.036 1.823 0.414 0.629 0.870 0.652 CB 1.238 24 residues pruned to eliminate duplicates Z: 34 18.826 1.921 0.425 0.511 0.939 0.667 CB 1.260 34 residues pruned to eliminate duplicates Z: 29 18.906 1.975 0.447 0.559 0.929 0.643 CB 1.272 29 residues pruned to eliminate duplicates Z: 21 15.931 1.934 0.358 0.627 0.900 0.550 CB 1.336 21 residues pruned to eliminate duplicates Z: 24 18.445 1.968 0.325 0.640 0.957 0.696 CB 1.352 24 residues pruned to eliminate duplicates Z: 32 18.096 1.966 0.368 0.536 0.903 0.645 CB 1.291 32 residues pruned to eliminate duplicates Z: 34 21.823 1.942 0.454 0.579 0.939 0.727 CB 1.327 34 residues pruned to eliminate duplicates Z: 30 18.053 1.894 0.463 0.546 0.931 0.724 CB 1.243 30 residues pruned to eliminate duplicates Z: 33 22.908 1.963 0.529 0.584 0.969 0.719 CB 1.284 33 residues pruned to eliminate duplicates Z: 49 19.920 1.895 0.574 0.423 0.875 0.583 CB 1.194 59 residues pruned to eliminate duplicates Z: 19 15.241 1.916 0.430 0.634 0.833 0.778 CB 1.387 19 residues pruned to eliminate duplicates Z: 37 21.157 1.945 0.405 0.549 0.944 0.694 CB 1.303 37 residues pruned to eliminate duplicates Z: 32 17.239 1.926 0.303 0.568 0.968 0.581 CB 1.193 32 residues pruned to eliminate duplicates Z: 64 27.817 1.949 0.662 0.491 0.889 0.619 CB 1.228 64 residues pruned to eliminate duplicates Z: 52 23.274 1.916 0.565 0.502 0.902 0.627 CB 1.203 52 residues pruned to eliminate duplicates Z: 36 18.977 1.924 0.369 0.540 0.943 0.714 CB 1.242 36 residues pruned to eliminate duplicates Z: 44 17.810 1.912 0.336 0.477 0.884 0.442 CB 1.232 44 residues pruned to eliminate duplicates Z: 6 4.665 1.820 0.968 0.402 0.600 0.200 CB 1.077 Z: 6 5.131 1.848 0.209 0.628 0.800 0.400 CA 1.139 Z: 7 7.929 1.845 0.600 0.539 0.833 0.500 CB 1.267 Z: 8 10.437 1.844 0.750 0.635 0.857 0.143 CA 1.257 7 residues pruned to eliminate duplicates Z: 9 10.120 1.723 0.813 0.539 0.875 0.125 CA 1.261 9 residues pruned to eliminate duplicates Z: 7 11.239 1.894 0.751 0.643 1.000 0.667 CA 1.211 7 residues pruned to eliminate duplicates Z: 17 19.247 1.908 1.068 0.519 0.938 0.562 CB 1.276 17 residues pruned to eliminate duplicates Z: 17 16.983 1.888 0.931 0.480 0.938 0.750 CB 1.268 17 residues pruned to eliminate duplicates Z: 16 14.903 1.869 1.082 0.430 0.867 0.600 CB 1.227 16 residues pruned to eliminate duplicates Z: 8 8.478 1.887 0.889 0.389 0.857 0.429 CB 1.179 8 residues pruned to eliminate duplicates Z: 8 10.630 1.841 1.000 0.525 1.000 0.571 CB 1.064 8 residues pruned to eliminate duplicates Z: 16 11.535 1.873 0.937 0.398 0.867 0.667 CB 1.055 16 residues pruned to eliminate duplicates Z: 18 12.997 1.747 0.713 0.493 0.824 0.588 CB 1.288 18 residues pruned to eliminate duplicates Z: 19 12.551 1.759 0.538 0.514 0.889 0.611 CB 1.213 18 residues pruned to eliminate duplicates Z: 7 5.289 1.693 0.451 0.312 1.000 0.500 CA 1.082 6 residues pruned to eliminate duplicates Z: 7 6.997 1.518 0.827 0.574 1.000 1.000 CB 0.959 7 residues pruned to eliminate duplicates Z: 16 14.380 1.799 0.845 0.629 0.933 0.733 CB 1.062 16 residues pruned to eliminate duplicates Z: 17 12.351 1.752 0.928 0.459 0.875 0.750 CB 1.089 17 residues pruned to eliminate duplicates Z: 21 13.896 1.739 0.757 0.425 0.850 0.550 CB 1.293 18 residues pruned to eliminate duplicates Z: 7 6.004 1.571 0.898 0.460 0.833 0.500 N 1.027 7 residues pruned to eliminate duplicates Z: 20 11.951 1.717 0.898 0.420 0.789 0.526 CB 1.158 20 residues pruned to eliminate duplicates Z: 18 15.539 1.821 0.972 0.437 0.882 0.706 CB 1.270 18 residues pruned to eliminate duplicates Z: 15 13.869 1.886 0.533 0.759 0.857 0.714 CB 1.188 15 residues pruned to eliminate duplicates Z: 12 14.605 1.889 0.771 0.731 0.909 0.545 CB 1.177 12 residues pruned to eliminate duplicates Z: 14 17.135 1.848 0.687 0.843 0.923 0.769 CB 1.230 14 residues pruned to eliminate duplicates Z: 12 17.663 1.874 0.980 0.784 0.818 0.727 CB 1.365 12 residues pruned to eliminate duplicates Z: 14 20.257 1.828 0.853 0.841 1.000 0.846 CB 1.237 14 residues pruned to eliminate duplicates Z: 14 16.708 1.862 0.801 0.819 0.846 0.769 CB 1.238 14 residues pruned to eliminate duplicates Z: 16 17.336 1.788 0.940 0.691 0.867 0.667 CB 1.251 16 residues pruned to eliminate duplicates Z: 16 16.540 1.814 0.725 0.728 0.933 0.600 CB 1.191 16 residues pruned to eliminate duplicates Z: 15 20.004 1.819 1.136 0.773 1.000 0.643 CB 1.081 15 residues pruned to eliminate duplicates Z: 15 13.985 1.805 0.881 0.746 0.857 0.643 CB 1.031 15 residues pruned to eliminate duplicates Z: 13 17.537 1.743 1.029 0.812 1.000 0.417 CB 1.091 13 residues pruned to eliminate duplicates Z: 15 16.175 1.764 0.757 0.832 0.929 0.571 CB 1.128 15 residues pruned to eliminate duplicates Z: 15 23.263 1.966 0.759 0.831 0.929 0.786 CB 1.455 15 residues pruned to eliminate duplicates Z: 14 26.597 1.962 0.929 0.835 1.000 0.692 CB 1.460 14 residues pruned to eliminate duplicates Z: 18 16.236 1.821 0.841 0.663 0.882 0.647 CB 1.144 18 residues pruned to eliminate duplicates Z: 15 23.245 1.956 0.893 0.785 0.929 0.571 CB 1.407 15 residues pruned to eliminate duplicates Z: 14 23.155 2.009 0.832 0.782 0.923 0.692 CB 1.474 14 residues pruned to eliminate duplicates Z: 15 18.982 1.963 0.763 0.808 0.857 0.857 CB 1.307 15 residues pruned to eliminate duplicates Z: 14 25.395 1.973 0.847 0.788 0.923 0.846 CB 1.626 15 residues pruned to eliminate duplicates Z: 14 23.899 1.939 0.825 0.876 1.000 0.923 CB 1.362 14 residues pruned to eliminate duplicates Z: 14 21.107 1.990 0.664 0.803 0.923 0.615 CB 1.470 14 residues pruned to eliminate duplicates Z: 9 10.657 1.843 0.804 0.514 0.875 0.500 CB 1.277 9 residues pruned to eliminate duplicates Z: 9 8.878 1.840 0.865 0.524 0.625 0.375 CB 1.430 9 residues pruned to eliminate duplicates Z: 13 24.605 1.987 0.703 0.903 1.000 0.917 CB 1.496 13 residues pruned to eliminate duplicates Z: 19 22.395 1.884 0.678 0.697 1.000 0.722 CB 1.396 19 residues pruned to eliminate duplicates Z: 17 8.914 1.765 0.451 0.532 0.750 0.625 CB 1.125 13 residues pruned to eliminate duplicates Z: 15 20.768 1.927 0.622 0.779 1.000 0.643 CB 1.388 15 residues pruned to eliminate duplicates Z: 17 12.667 1.851 0.612 0.565 0.812 0.688 CB 1.227 17 residues pruned to eliminate duplicates Z: 9 7.034 1.615 0.640 0.625 0.875 0.625 CB 0.954 3 residues pruned to eliminate duplicates Z: 6 9.211 1.782 0.278 0.791 1.000 0.800 CA 1.401 6 residues pruned to eliminate duplicates Z: 15 19.523 2.002 0.964 0.599 0.857 0.714 CB 1.409 15 residues pruned to eliminate duplicates Z: 15 24.641 2.079 0.883 0.668 1.000 0.714 CB 1.440 29 residues pruned to eliminate duplicates Z: 7 14.493 2.046 0.808 0.517 1.000 0.500 CA 1.572 7 residues pruned to eliminate duplicates Z: 14 14.188 1.944 0.892 0.522 0.846 0.538 CB 1.237 14 residues pruned to eliminate duplicates Z: 18 15.634 1.837 0.851 0.572 0.882 0.588 CB 1.179 18 residues pruned to eliminate duplicates Z: 17 16.720 2.017 0.830 0.612 0.875 0.625 CB 1.164 17 residues pruned to eliminate duplicates Z: 14 25.837 2.057 1.087 0.693 1.000 0.769 CB 1.399 14 residues pruned to eliminate duplicates Z: 16 17.647 1.933 0.955 0.636 0.867 0.733 CB 1.225 16 residues pruned to eliminate duplicates Z: 18 19.446 2.008 0.804 0.609 0.882 0.706 CB 1.331 18 residues pruned to eliminate duplicates Z: 15 19.207 1.991 0.745 0.675 0.929 0.714 CB 1.353 15 residues pruned to eliminate duplicates Z: 10 6.161 1.607 0.702 0.473 0.889 0.444 CB 0.868 17 residues pruned to eliminate duplicates Z: 14 15.231 1.757 0.488 0.764 1.000 0.692 CB 1.278 14 residues pruned to eliminate duplicates Z: 18 15.657 1.699 0.557 0.626 0.941 0.588 CB 1.355 18 residues pruned to eliminate duplicates Z: 15 7.290 1.679 0.331 0.371 0.857 0.429 CB 1.167 15 residues pruned to eliminate duplicates Z: 14 9.254 1.681 0.395 0.535 0.923 0.538 CB 1.145 14 residues pruned to eliminate duplicates Z: 21 10.299 1.621 0.583 0.503 0.900 0.750 CB 0.995 21 residues pruned to eliminate duplicates Z: 13 15.268 1.827 0.501 0.804 0.917 0.833 CB 1.344 13 residues pruned to eliminate duplicates Z: 22 13.391 1.650 0.535 0.582 1.000 0.571 CB 1.066 18 residues pruned to eliminate duplicates Z: 16 15.012 1.720 0.640 0.788 0.933 0.800 CB 1.143 16 residues pruned to eliminate duplicates Z: 19 12.586 1.707 0.392 0.604 0.889 0.611 CB 1.271 19 residues pruned to eliminate duplicates Z: 24 13.407 1.685 0.595 0.502 0.870 0.739 CB 1.194 24 residues pruned to eliminate duplicates Z: 17 10.849 1.754 0.402 0.620 0.812 0.625 CB 1.212 17 residues pruned to eliminate duplicates Z: 10 7.775 1.657 0.755 0.474 1.000 0.444 CB 0.915 10 residues pruned to eliminate duplicates Z: 11 6.216 1.700 0.768 0.390 0.700 0.600 CB 1.050 11 residues pruned to eliminate duplicates Z: 7 6.825 1.771 0.637 0.534 0.833 0.833 CB 1.115 7 residues pruned to eliminate duplicates Z: 14 7.868 1.577 0.593 0.428 0.846 0.385 CB 1.106 14 residues pruned to eliminate duplicates Z: 19 17.020 1.626 0.783 0.683 1.000 0.778 CB 1.171 19 residues pruned to eliminate duplicates Z: 19 16.836 1.648 0.885 0.670 0.944 0.722 CB 1.156 20 residues pruned to eliminate duplicates Z: 10 7.339 1.481 0.532 0.584 0.889 0.556 N 1.119 7 residues pruned to eliminate duplicates Z: 7 4.725 1.606 0.695 0.457 0.667 0.500 N 1.110 7 residues pruned to eliminate duplicates Z: 15 9.078 1.714 0.368 0.493 0.786 0.500 CB 1.326 16 residues pruned to eliminate duplicates Z: 6 6.482 1.655 0.709 0.628 0.800 0.200 N 1.136 7 residues pruned to eliminate duplicates Z: 6 4.940 1.619 0.572 0.557 0.800 0.200 N 1.026 6 residues pruned to eliminate duplicates Z: 9 7.248 1.731 0.741 0.417 0.750 0.625 CB 1.237 9 residues pruned to eliminate duplicates Z: 7 4.611 1.683 0.182 0.561 1.000 1.000 CB 0.891 7 residues pruned to eliminate duplicates Z: 15 11.816 1.673 0.444 0.734 1.000 0.714 CB 1.060 15 residues pruned to eliminate duplicates Z: 15 12.257 1.654 0.512 0.724 1.000 0.857 CB 1.071 15 residues pruned to eliminate duplicates Z: 13 12.124 1.745 0.626 0.831 1.000 0.667 CB 0.926 13 residues pruned to eliminate duplicates Z: 15 10.166 1.689 0.566 0.680 0.857 0.571 CB 1.015 15 residues pruned to eliminate duplicates Z: 15 12.775 1.619 0.649 0.720 0.929 0.786 CB 1.130 15 residues pruned to eliminate duplicates Z: 24 10.263 1.642 0.423 0.506 0.826 0.609 CB 1.102 17 residues pruned to eliminate duplicates Z: 12 11.174 1.712 0.806 0.768 0.909 0.455 CB 0.945 12 residues pruned to eliminate duplicates Z: 19 9.803 1.689 0.320 0.630 0.944 0.500 CB 0.971 19 residues pruned to eliminate duplicates Z: 17 10.207 1.664 0.382 0.626 1.000 0.500 CB 0.986 17 residues pruned to eliminate duplicates Z: 24 7.794 1.609 0.309 0.509 0.783 0.435 CB 0.977 24 residues pruned to eliminate duplicates Z: 24 8.875 1.692 0.251 0.476 0.870 0.609 CB 1.031 24 residues pruned to eliminate duplicates Z: 18 9.819 1.682 0.307 0.642 0.941 0.647 CB 1.008 18 residues pruned to eliminate duplicates Z: 24 9.452 1.617 0.280 0.569 0.870 0.609 CB 1.025 24 residues pruned to eliminate duplicates Z: 17 10.088 1.543 0.599 0.613 0.938 0.438 CB 0.980 17 residues pruned to eliminate duplicates Z: 29 11.698 1.589 0.480 0.492 0.857 0.607 CB 1.105 29 residues pruned to eliminate duplicates Z: 29 9.958 1.571 0.333 0.461 0.893 0.464 CB 1.048 29 residues pruned to eliminate duplicates Z: 23 9.943 1.685 0.336 0.517 0.909 0.455 CB 1.018 23 residues pruned to eliminate duplicates Z: 10 5.143 1.722 0.165 0.341 0.778 0.444 O 1.306 10 residues pruned to eliminate duplicates Z: 24 13.237 1.718 0.509 0.523 0.913 0.652 CB 1.140 24 residues pruned to eliminate duplicates Z: 26 12.089 1.701 0.359 0.507 0.920 0.640 CB 1.129 26 residues pruned to eliminate duplicates Z: 25 10.765 1.704 0.414 0.450 0.875 0.500 CB 1.097 25 residues pruned to eliminate duplicates Z: 27 11.671 1.700 0.379 0.527 0.885 0.615 CB 1.075 27 residues pruned to eliminate duplicates Z: 27 12.495 1.702 0.521 0.505 0.885 0.615 CB 1.064 27 residues pruned to eliminate duplicates Z: 28 10.095 1.688 0.337 0.435 0.778 0.556 CB 1.184 28 residues pruned to eliminate duplicates Z: 31 10.035 1.643 0.462 0.384 0.733 0.533 CB 1.177 31 residues pruned to eliminate duplicates 7 1.925 1.709 0.322 0.088 0.500 0.167 CB 1.182 ? Z: 29 11.128 1.665 0.444 0.394 0.893 0.571 CB 1.096 29 residues pruned to eliminate duplicates Z: 14 2.260 1.463 0.204 0.108 0.615 0.308 CB 0.951 14 residues pruned to eliminate duplicates Z: 34 8.720 1.633 0.396 0.368 0.758 0.545 CB 1.013 34 residues pruned to eliminate duplicates Z: 7 6.241 1.787 0.308 0.573 0.833 0.500 CB 1.219 7 residues pruned to eliminate duplicates Z: 8 4.936 1.684 0.289 0.458 0.857 0.571 CB 1.047 8 residues pruned to eliminate duplicates Z: 7 3.957 1.666 0.436 0.482 0.667 0.500 CB 1.031 7 residues pruned to eliminate duplicates Z: 33 10.834 1.632 0.470 0.411 0.812 0.562 CB 1.079 40 residues pruned to eliminate duplicates Z: 8 5.873 1.676 0.245 0.560 0.714 0.286 CB 1.404 8 residues pruned to eliminate duplicates Z: 8 4.268 1.562 0.306 0.272 0.857 0.429 CB 1.195 5 residues pruned to eliminate duplicates 6 1.970 1.395 0.161 0.118 0.800 0.400 O 1.101 ? 6 1.460 1.113 0.223 0.402 1.000 0.800 CB 0.532 ? Z: 17 10.567 1.609 0.499 0.733 0.875 0.688 CB 1.015 16 residues pruned to eliminate duplicates Z: 17 11.798 1.702 0.482 0.725 0.875 0.625 CB 1.090 38 residues pruned to eliminate duplicates Z: 16 17.230 1.848 0.341 0.899 0.933 0.800 CA 1.374 16 residues pruned to eliminate duplicates Z: 15 7.397 1.768 0.212 0.540 0.714 0.643 CB 1.243 15 residues pruned to eliminate duplicates Z: 16 13.493 1.891 0.458 0.652 0.867 0.667 CB 1.265 16 residues pruned to eliminate duplicates Z: 23 12.246 1.762 0.526 0.617 0.818 0.591 CB 1.063 23 residues pruned to eliminate duplicates Z: 13 12.122 1.913 0.285 0.768 0.917 0.833 CB 1.224 13 residues pruned to eliminate duplicates Z: 11 10.810 1.794 0.416 0.726 0.900 0.900 CB 1.219 11 residues pruned to eliminate duplicates Z: 17 12.326 1.823 0.261 0.660 0.875 0.688 CB 1.320 17 residues pruned to eliminate duplicates Z: 16 13.853 1.815 0.522 0.671 0.933 0.667 CB 1.184 16 residues pruned to eliminate duplicates Z: 15 16.077 1.850 0.791 0.665 0.929 0.643 CB 1.199 15 residues pruned to eliminate duplicates Z: 10 19.404 2.026 0.826 0.921 1.000 0.889 CB 1.231 10 residues pruned to eliminate duplicates Z: 13 16.043 1.913 0.787 0.749 0.917 0.750 CB 1.183 13 residues pruned to eliminate duplicates Z: 16 13.891 1.900 0.774 0.627 0.800 0.400 CB 1.181 16 residues pruned to eliminate duplicates Z: 14 16.484 1.853 0.977 0.711 0.846 0.462 CB 1.218 14 residues pruned to eliminate duplicates Z: 14 17.549 1.879 1.090 0.698 0.846 0.615 CB 1.223 14 residues pruned to eliminate duplicates Z: 13 15.008 1.878 0.700 0.831 1.000 0.750 CB 1.019 13 residues pruned to eliminate duplicates Z: 15 12.030 1.638 0.676 0.686 0.929 0.571 CB 1.063 15 residues pruned to eliminate duplicates Z: 13 10.759 1.647 0.645 0.721 0.917 0.750 CB 1.024 13 residues pruned to eliminate duplicates Z: 14 11.500 1.658 0.678 0.643 0.846 0.538 CB 1.185 14 residues pruned to eliminate duplicates Z: 15 8.626 1.645 0.490 0.749 0.857 0.786 CB 0.879 15 residues pruned to eliminate duplicates Z: 15 13.535 1.680 0.569 0.703 0.929 0.500 CB 1.229 14 residues pruned to eliminate duplicates Z: 12 18.566 1.731 0.825 0.889 1.000 0.818 CB 1.276 12 residues pruned to eliminate duplicates Z: 11 16.587 1.663 0.820 0.753 1.000 0.800 CB 1.383 11 residues pruned to eliminate duplicates Z: 17 9.432 1.611 0.516 0.660 0.812 0.625 CB 1.024 15 residues pruned to eliminate duplicates Z: 12 19.652 1.709 0.905 0.889 1.000 0.818 CB 1.311 17 residues pruned to eliminate duplicates Z: 12 18.328 1.725 0.787 0.872 1.000 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 11 17.194 1.686 0.799 0.758 1.000 0.800 CB 1.426 10 residues pruned to eliminate duplicates Z: 15 17.085 1.627 0.804 0.760 1.000 0.714 CB 1.235 15 residues pruned to eliminate duplicates Z: 7 6.598 1.465 0.592 0.794 1.000 1.000 CB 0.892 6 residues pruned to eliminate duplicates Z: 6 4.481 1.480 0.388 0.701 1.000 0.400 CB 0.813 5 residues pruned to eliminate duplicates Z: 6 6.563 1.462 0.734 0.776 0.800 0.600 CB 1.134 7 residues pruned to eliminate duplicates Z: 12 7.092 1.517 0.632 0.638 1.000 0.455 CB 0.759 7 residues pruned to eliminate duplicates Z: 7 3.307 1.638 -0.036 0.383 0.833 0.667 CB 1.162 4 residues pruned to eliminate duplicates Z: 10 13.942 1.936 0.424 0.629 0.889 0.556 CA 1.681 8 residues pruned to eliminate duplicates Z: 12 16.128 1.890 0.488 0.529 1.000 0.455 CA 1.681 12 residues pruned to eliminate duplicates Z: 7 7.403 1.887 0.770 0.352 0.667 0.167 CB 1.594 7 residues pruned to eliminate duplicates Z: 11 7.896 1.785 0.295 0.496 0.700 0.500 CB 1.550 11 residues pruned to eliminate duplicates Z: 28 26.300 1.855 0.668 0.665 0.963 0.593 CB 1.458 31 residues pruned to eliminate duplicates Z: 10 7.097 1.598 0.475 0.539 0.778 0.556 O 1.243 10 residues pruned to eliminate duplicates Z: 30 21.029 1.846 0.612 0.600 0.931 0.586 CB 1.281 29 residues pruned to eliminate duplicates Z: 8 6.768 1.829 -0.020 0.571 0.857 0.571 O 1.555 8 residues pruned to eliminate duplicates Z: 31 25.141 1.936 0.494 0.635 0.933 0.700 CB 1.499 31 residues pruned to eliminate duplicates Z: 38 21.826 1.708 0.642 0.542 0.892 0.459 CB 1.377 33 residues pruned to eliminate duplicates Z: 20 17.188 1.823 0.473 0.727 0.947 0.684 CB 1.264 21 residues pruned to eliminate duplicates Z: 17 17.743 1.805 0.508 0.741 1.000 0.750 CB 1.313 17 residues pruned to eliminate duplicates Z: 34 22.637 1.830 0.565 0.600 0.879 0.636 CB 1.424 34 residues pruned to eliminate duplicates Z: 29 21.240 1.863 0.551 0.662 1.000 0.786 CB 1.195 29 residues pruned to eliminate duplicates Z: 30 22.727 1.879 0.629 0.633 0.897 0.586 CB 1.358 30 residues pruned to eliminate duplicates Z: 31 24.297 1.879 0.650 0.608 0.967 0.567 CB 1.336 31 residues pruned to eliminate duplicates Z: 28 22.182 1.899 0.521 0.603 0.963 0.630 CB 1.392 28 residues pruned to eliminate duplicates Z: 35 20.897 1.785 0.625 0.535 0.882 0.618 CB 1.353 35 residues pruned to eliminate duplicates Z: 34 22.503 1.860 0.528 0.604 0.939 0.515 CB 1.329 34 residues pruned to eliminate duplicates Z: 32 21.557 1.864 0.513 0.583 0.935 0.710 CB 1.355 32 residues pruned to eliminate duplicates Z: 29 25.131 1.918 0.570 0.647 0.964 0.643 CB 1.427 29 residues pruned to eliminate duplicates Z: 14 17.293 1.796 0.507 0.761 0.923 0.846 N 1.522 14 residues pruned to eliminate duplicates Z: 26 15.399 1.672 0.324 0.605 0.960 0.680 CB 1.311 16 residues pruned to eliminate duplicates Z: 13 17.147 1.829 0.429 0.825 0.917 0.917 CB 1.559 13 residues pruned to eliminate duplicates Z: 8 5.738 1.527 0.215 0.518 1.000 0.429 O 1.149 Z: 8 6.639 1.548 0.147 0.739 0.857 0.714 CA 1.331 16 residues pruned to eliminate duplicates Z: 19 13.881 1.827 0.220 0.735 0.944 0.833 CB 1.259 19 residues pruned to eliminate duplicates Z: 40 17.151 1.733 0.382 0.526 0.846 0.641 CB 1.321 40 residues pruned to eliminate duplicates Z: 10 10.775 2.098 0.209 0.530 1.000 0.667 CB 1.374 10 residues pruned to eliminate duplicates Z: 9 11.342 2.102 0.308 0.651 0.875 0.750 CB 1.448 9 residues pruned to eliminate duplicates Z: 12 10.600 1.901 0.245 0.546 1.000 0.636 CB 1.292 13 residues pruned to eliminate duplicates Z: 6 6.408 1.719 0.211 0.461 1.000 0.600 CB 1.433 6 residues pruned to eliminate duplicates Z: 10 7.595 1.924 -0.001 0.567 1.000 0.667 CB 1.235 10 residues pruned to eliminate duplicates Z: 11 9.948 2.094 0.142 0.463 1.000 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 7 4.733 1.443 0.834 0.657 1.000 0.500 CB 0.631 5 residues pruned to eliminate duplicates Z: 8 7.055 1.369 0.850 0.846 1.000 0.571 CB 0.782 9 residues pruned to eliminate duplicates Z: 7 5.957 1.354 0.817 0.845 1.000 0.333 CB 0.735 7 residues pruned to eliminate duplicates Z: 9 5.283 1.379 0.601 0.864 0.875 0.375 CB 0.708 8 residues pruned to eliminate duplicates Z: 9 6.706 1.461 0.654 0.640 0.875 0.375 CB 0.984 9 residues pruned to eliminate duplicates Z: 9 11.132 1.926 0.763 0.387 1.000 0.625 CB 1.306 11 residues pruned to eliminate duplicates Z: 8 7.128 1.653 0.451 0.569 0.857 0.429 CB 1.226 8 residues pruned to eliminate duplicates Z: 11 12.530 1.907 0.721 0.431 0.900 0.300 CB 1.441 11 residues pruned to eliminate duplicates Z: 10 13.551 2.011 0.558 0.438 1.000 0.667 CB 1.538 10 residues pruned to eliminate duplicates Z: 8 13.562 1.897 0.683 0.680 1.000 0.429 CB 1.360 9 residues pruned to eliminate duplicates Z: 7 7.183 1.723 0.606 0.634 0.833 0.500 CA 1.121 7 residues pruned to eliminate duplicates Z: 27 18.911 1.920 0.358 0.571 0.962 0.577 CB 1.382 27 residues pruned to eliminate duplicates Z: 22 13.758 1.860 0.383 0.417 0.857 0.429 CB 1.484 22 residues pruned to eliminate duplicates Z: 17 10.774 1.931 0.396 0.404 0.750 0.438 CB 1.475 17 residues pruned to eliminate duplicates Z: 18 11.561 1.900 0.301 0.365 0.941 0.353 CB 1.393 18 residues pruned to eliminate duplicates Z: 14 14.698 2.046 0.368 0.480 0.923 0.692 CB 1.610 14 residues pruned to eliminate duplicates Z: 6 5.256 1.627 0.494 0.307 1.000 0.800 N 1.198 6 residues pruned to eliminate duplicates Z: 38 22.273 1.871 0.509 0.545 0.919 0.649 CB 1.350 37 residues pruned to eliminate duplicates Z: 12 12.229 1.835 0.634 0.794 1.000 0.909 CB 0.950 12 residues pruned to eliminate duplicates Z: 35 20.364 1.898 0.449 0.571 0.882 0.559 CB 1.343 35 residues pruned to eliminate duplicates Z: 14 11.760 1.689 0.375 0.876 1.000 0.923 CB 1.020 14 residues pruned to eliminate duplicates Z: 30 16.711 1.860 0.508 0.513 0.828 0.552 CB 1.320 30 residues pruned to eliminate duplicates Z: 19 13.294 1.833 0.664 0.589 0.889 0.667 CB 1.062 19 residues pruned to eliminate duplicates Z: 13 9.572 1.845 0.256 0.724 0.750 0.583 CB 1.299 13 residues pruned to eliminate duplicates Z: 9 12.969 2.046 0.302 0.858 1.000 0.750 CB 1.267 9 residues pruned to eliminate duplicates Z: 22 12.659 1.874 0.320 0.634 0.905 0.714 CB 1.088 22 residues pruned to eliminate duplicates Z: 18 14.068 1.828 0.467 0.755 1.000 0.647 CB 1.014 18 residues pruned to eliminate duplicates Z: 23 14.789 1.800 0.468 0.648 0.909 0.636 CB 1.143 23 residues pruned to eliminate duplicates Z: 26 15.752 1.784 0.433 0.644 1.000 0.600 CB 1.077 26 residues pruned to eliminate duplicates Z: 30 15.927 1.826 0.458 0.598 0.897 0.690 CB 1.129 22 residues pruned to eliminate duplicates Z: 15 13.027 1.871 0.272 0.769 1.000 0.786 CB 1.153 15 residues pruned to eliminate duplicates Z: 10 6.932 1.860 0.318 0.308 1.000 0.556 CB 1.166 10 residues pruned to eliminate duplicates Z: 26 14.943 1.811 0.389 0.587 0.920 0.600 CB 1.188 26 residues pruned to eliminate duplicates Z: 26 16.402 1.757 0.587 0.649 0.960 0.720 CB 1.067 26 residues pruned to eliminate duplicates Z: 26 13.332 1.777 0.571 0.530 0.920 0.560 CB 1.008 26 residues pruned to eliminate duplicates Z: 22 15.782 1.888 0.553 0.693 0.905 0.762 CB 1.088 22 residues pruned to eliminate duplicates Z: 35 11.633 1.773 0.390 0.397 0.853 0.441 CB 1.058 35 residues pruned to eliminate duplicates Z: 23 13.031 1.836 0.464 0.582 0.955 0.682 CB 1.001 23 residues pruned to eliminate duplicates Z: 33 16.621 1.863 0.462 0.490 0.844 0.406 CB 1.292 32 residues pruned to eliminate duplicates 6 1.846 1.198 0.694 0.362 1.000 0.800 N 0.472 ? Z: 6 4.607 1.247 0.912 0.456 1.000 0.600 CA 0.904 6 residues pruned to eliminate duplicates Z: 6 8.074 1.600 1.033 0.598 1.000 0.800 N 1.011 6 residues pruned to eliminate duplicates Z: 14 12.140 1.726 0.685 0.583 0.846 0.615 CB 1.264 14 residues pruned to eliminate duplicates Z: 13 11.901 1.835 0.655 0.580 0.833 0.667 CB 1.257 13 residues pruned to eliminate duplicates Z: 25 13.448 1.645 0.419 0.530 0.958 0.583 CB 1.191 25 residues pruned to eliminate duplicates Z: 16 7.605 1.710 0.478 0.403 0.867 0.533 CB 0.993 16 residues pruned to eliminate duplicates Z: 12 16.512 1.850 0.782 0.626 1.000 0.636 CB 1.341 12 residues pruned to eliminate duplicates Z: 26 15.980 1.722 0.540 0.609 0.960 0.720 CB 1.131 26 residues pruned to eliminate duplicates Z: 26 12.749 1.668 0.592 0.376 0.920 0.560 CB 1.192 26 residues pruned to eliminate duplicates Z: 22 19.566 1.747 0.716 0.634 0.952 0.667 CB 1.318 22 residues pruned to eliminate duplicates Z: 23 21.919 1.779 0.749 0.663 1.000 0.773 CB 1.291 28 residues pruned to eliminate duplicates Z: 12 12.954 1.717 0.186 0.912 1.000 1.000 CB 1.359 12 residues pruned to eliminate duplicates Z: 23 20.420 1.802 0.602 0.636 1.000 0.773 CB 1.328 23 residues pruned to eliminate duplicates Z: 19 18.448 1.770 0.723 0.615 0.944 0.667 CB 1.353 19 residues pruned to eliminate duplicates Z: 23 14.012 1.640 0.548 0.552 0.955 0.727 CB 1.171 23 residues pruned to eliminate duplicates Z: 23 20.752 1.759 0.803 0.661 0.955 0.727 CB 1.259 23 residues pruned to eliminate duplicates Z: 13 16.479 1.744 0.426 0.926 1.000 0.917 CB 1.341 13 residues pruned to eliminate duplicates Z: 22 14.864 1.785 0.474 0.517 0.857 0.667 CB 1.415 22 residues pruned to eliminate duplicates Z: 13 15.329 1.736 0.613 0.844 0.917 0.833 CB 1.283 12 residues pruned to eliminate duplicates Z: 13 14.779 1.680 0.634 0.828 1.000 0.917 CB 1.170 13 residues pruned to eliminate duplicates Z: 13 12.406 1.691 0.492 0.842 1.000 0.917 CB 1.057 13 residues pruned to eliminate duplicates Z: 13 8.256 1.709 0.169 0.647 0.917 0.750 CB 1.135 11 residues pruned to eliminate duplicates Z: 16 14.539 1.728 0.390 0.763 1.000 0.800 CB 1.238 16 residues pruned to eliminate duplicates Z: 7 3.847 1.594 0.606 0.242 0.833 0.333 CB 0.993 Z: 6 7.566 1.527 0.822 0.461 1.000 0.600 CA 1.265 5 residues pruned to eliminate duplicates Z: 6 7.411 1.749 0.852 0.465 1.000 1.000 CA 1.060 7 residues pruned to eliminate duplicates Z: 7 6.476 1.768 0.073 0.713 0.833 0.167 N 1.379 7 residues pruned to eliminate duplicates Z: 9 9.932 1.806 0.329 0.636 0.875 0.750 N 1.472 11 residues pruned to eliminate duplicates Z: 7 4.986 1.742 0.498 0.697 0.667 0.333 N 0.978 7 residues pruned to eliminate duplicates Z: 8 7.321 1.787 0.256 0.549 0.857 0.286 CA 1.371 19 residues pruned to eliminate duplicates Z: 7 6.582 1.725 0.362 0.589 1.000 0.500 CA 1.050 7 residues pruned to eliminate duplicates Z: 6 4.607 1.606 0.692 0.335 1.000 0.800 CB 0.908 Z: 6 2.920 1.343 0.525 0.446 0.600 0.600 CB 1.123 Z: 7 4.463 1.439 0.854 0.701 1.000 0.667 CB 0.569 Z: 6 4.274 1.463 0.560 0.733 1.000 0.600 CB 0.679 6 residues pruned to eliminate duplicates Z: 8 4.027 1.430 0.263 0.603 1.000 0.857 CB 0.764 8 residues pruned to eliminate duplicates 7 1.743 1.254 0.321 0.351 0.667 0.333 O 0.758 ? Z: 8 3.530 1.440 0.391 0.598 1.000 0.714 O 0.607 4 residues pruned to eliminate duplicates 6 1.780 1.376 0.394 0.317 0.600 0.200 CB 0.847 ? Z: 16 23.882 2.090 0.586 0.756 1.000 0.800 CB 1.481 15 residues pruned to eliminate duplicates Z: 17 24.992 2.038 0.700 0.743 1.000 0.625 CB 1.451 16 residues pruned to eliminate duplicates Z: 14 19.118 2.001 0.446 0.791 1.000 0.615 CB 1.419 14 residues pruned to eliminate duplicates Z: 26 22.949 2.041 0.688 0.548 0.960 0.760 CB 1.324 26 residues pruned to eliminate duplicates Z: 20 15.185 1.951 0.743 0.563 0.789 0.474 CB 1.220 20 residues pruned to eliminate duplicates Z: 26 14.171 1.852 0.560 0.488 0.760 0.360 CB 1.306 17 residues pruned to eliminate duplicates Z: 13 24.361 2.108 1.062 0.851 0.917 0.750 CB 1.306 25 residues pruned to eliminate duplicates Z: 14 22.204 1.959 0.739 0.883 1.000 0.692 CB 1.307 14 residues pruned to eliminate duplicates Z: 22 25.702 1.956 0.823 0.488 0.952 0.667 CB 1.672 22 residues pruned to eliminate duplicates Z: 17 15.990 2.015 0.461 0.719 0.875 0.625 CB 1.273 17 residues pruned to eliminate duplicates Z: 22 18.858 1.986 0.586 0.560 0.905 0.524 CB 1.363 22 residues pruned to eliminate duplicates Z: 61 21.589 1.900 0.547 0.382 0.867 0.500 CB 1.241 56 residues pruned to eliminate duplicates Z: 15 24.543 2.023 0.850 0.802 0.929 0.857 CB 1.449 15 residues pruned to eliminate duplicates Z: 26 19.274 1.936 0.679 0.448 0.880 0.640 CB 1.422 26 residues pruned to eliminate duplicates Z: 27 21.866 1.973 0.645 0.506 1.000 0.615 CB 1.314 27 residues pruned to eliminate duplicates Z: 6 5.279 1.829 0.246 0.279 0.800 0.600 CB 1.661 Z: 6 5.857 1.713 0.359 0.273 1.000 0.400 CA 1.456 12 residues pruned to eliminate duplicates Z: 21 12.182 1.828 0.504 0.419 0.850 0.550 CB 1.269 10 residues pruned to eliminate duplicates Z: 7 8.612 1.614 0.994 0.436 1.000 0.833 CB 1.166 7 residues pruned to eliminate duplicates Z: 25 26.731 2.079 0.819 0.540 0.958 0.708 CB 1.447 25 residues pruned to eliminate duplicates Z: 25 26.534 2.052 0.894 0.553 0.917 0.667 CB 1.444 25 residues pruned to eliminate duplicates Z: 24 14.072 1.862 0.572 0.347 0.870 0.391 N 1.360 24 residues pruned to eliminate duplicates Z: 26 24.844 2.044 0.763 0.537 0.960 0.720 CB 1.385 26 residues pruned to eliminate duplicates Z: 23 10.735 1.845 0.712 0.291 0.818 0.500 CB 1.120 23 residues pruned to eliminate duplicates Z: 17 12.039 1.920 0.602 0.434 0.812 0.500 CB 1.290 14 residues pruned to eliminate duplicates Z: 6 6.355 1.544 1.001 0.276 1.000 0.600 CB 1.186 6 residues pruned to eliminate duplicates Z: 40 18.967 1.905 0.581 0.364 0.846 0.538 CB 1.380 39 residues pruned to eliminate duplicates Z: 11 6.933 1.606 0.319 0.487 1.000 0.500 CB 1.048 11 residues pruned to eliminate duplicates Z: 39 14.428 1.799 0.559 0.378 0.895 0.500 CB 1.062 39 residues pruned to eliminate duplicates Z: 26 17.918 1.944 0.486 0.428 0.960 0.560 CB 1.393 26 residues pruned to eliminate duplicates Z: 21 11.788 1.857 0.392 0.438 0.800 0.400 CB 1.359 21 residues pruned to eliminate duplicates Z: 33 14.381 1.877 0.548 0.356 0.812 0.438 CB 1.258 33 residues pruned to eliminate duplicates Z: 20 14.316 1.938 0.389 0.425 0.947 0.474 CB 1.392 20 residues pruned to eliminate duplicates Z: 32 10.660 1.798 0.238 0.382 0.806 0.452 CB 1.209 32 residues pruned to eliminate duplicates Z: 41 26.284 1.935 0.734 0.472 0.900 0.550 CB 1.415 112 residues pruned to eliminate duplicates Z: 7 5.674 1.695 0.928 0.553 0.667 0.500 CB 1.010 7 residues pruned to eliminate duplicates Z: 48 22.623 1.958 0.557 0.444 0.872 0.553 CB 1.315 48 residues pruned to eliminate duplicates Z: 23 15.480 1.941 0.499 0.382 0.818 0.500 CB 1.571 23 residues pruned to eliminate duplicates Z: 37 14.690 1.808 0.451 0.349 0.861 0.500 CB 1.277 37 residues pruned to eliminate duplicates Z: 31 14.943 1.895 0.402 0.412 0.833 0.433 CB 1.351 31 residues pruned to eliminate duplicates Z: 27 16.507 1.913 0.503 0.430 0.846 0.577 CB 1.430 27 residues pruned to eliminate duplicates Z: 25 16.347 1.907 0.474 0.494 0.917 0.583 CB 1.303 25 residues pruned to eliminate duplicates Z: 22 17.110 1.880 0.732 0.424 0.905 0.476 CB 1.372 22 residues pruned to eliminate duplicates Z: 26 16.014 1.907 0.544 0.379 0.960 0.480 CB 1.289 26 residues pruned to eliminate duplicates Z: 48 23.751 1.858 0.598 0.494 0.894 0.553 CB 1.314 48 residues pruned to eliminate duplicates Z: 29 18.296 1.852 0.618 0.455 0.929 0.357 CB 1.301 29 residues pruned to eliminate duplicates Z: 36 17.313 1.844 0.537 0.426 0.971 0.571 CB 1.147 36 residues pruned to eliminate duplicates Z: 33 15.554 1.819 0.387 0.424 0.969 0.531 CB 1.218 33 residues pruned to eliminate duplicates Z: 36 17.273 1.844 0.433 0.434 0.943 0.686 CB 1.254 36 residues pruned to eliminate duplicates Z: 30 15.121 1.869 0.407 0.451 0.897 0.586 CB 1.252 30 residues pruned to eliminate duplicates Z: 31 17.228 1.839 0.593 0.454 0.967 0.467 CB 1.165 31 residues pruned to eliminate duplicates Z: 34 12.336 1.774 0.432 0.376 0.818 0.515 CB 1.181 34 residues pruned to eliminate duplicates Z: 45 20.763 1.866 0.614 0.461 0.864 0.545 CB 1.252 45 residues pruned to eliminate duplicates Z: 8 11.913 1.960 0.800 0.495 0.857 0.571 CB 1.496 8 residues pruned to eliminate duplicates Z: 9 11.559 1.746 0.855 0.450 1.000 0.500 CB 1.329 9 residues pruned to eliminate duplicates Z: 30 18.927 1.899 0.630 0.419 0.897 0.517 CB 1.378 30 residues pruned to eliminate duplicates Z: 70 27.473 1.921 0.585 0.445 0.913 0.565 CB 1.259 46 residues pruned to eliminate duplicates Z: 8 7.034 1.660 0.470 0.798 0.714 0.714 CB 1.176 8 residues pruned to eliminate duplicates Z: 6 11.633 1.842 0.552 0.793 1.000 1.000 CB 1.408 6 residues pruned to eliminate duplicates Z: 15 6.954 1.713 0.631 0.426 0.714 0.500 CB 1.007 15 residues pruned to eliminate duplicates Z: 12 10.072 1.806 0.503 0.553 0.818 0.545 CB 1.298 12 residues pruned to eliminate duplicates Z: 18 6.895 1.713 0.423 0.374 0.706 0.353 CB 1.111 18 residues pruned to eliminate duplicates Z: 15 8.189 1.727 0.463 0.425 0.857 0.500 CB 1.092 15 residues pruned to eliminate duplicates Z: 23 9.786 1.709 0.406 0.486 0.818 0.500 CB 1.077 22 residues pruned to eliminate duplicates Z: 10 13.154 1.654 0.625 0.783 1.000 0.667 CB 1.271 10 residues pruned to eliminate duplicates Z: 16 7.036 1.695 0.395 0.547 0.800 0.533 CB 0.917 16 residues pruned to eliminate duplicates Z: 14 4.431 1.615 0.098 0.445 0.769 0.615 CB 0.953 14 residues pruned to eliminate duplicates Z: 8 6.416 1.598 0.890 0.447 0.714 0.571 CB 1.187 8 residues pruned to eliminate duplicates Z: 6 3.349 1.790 0.017 0.479 0.600 0.600 CB 1.400 6 residues pruned to eliminate duplicates Z: 7 3.013 1.679 0.036 0.394 0.667 0.500 CA 1.185 7 residues pruned to eliminate duplicates Z: 16 4.526 1.864 0.427 0.160 0.600 0.533 CB 1.109 17 residues pruned to eliminate duplicates Z: 6 6.111 1.351 1.093 0.386 1.000 0.400 O 1.091 6 residues pruned to eliminate duplicates Z: 23 10.401 1.806 0.689 0.394 0.818 0.545 CB 0.994 23 residues pruned to eliminate duplicates Z: 18 7.332 1.869 0.489 0.105 0.882 0.471 CB 1.198 18 residues pruned to eliminate duplicates Z: 16 8.593 1.893 0.530 0.286 0.933 0.600 CB 1.044 16 residues pruned to eliminate duplicates Z: 14 6.903 1.917 0.475 0.273 0.769 0.385 CB 1.139 14 residues pruned to eliminate duplicates Z: 19 11.100 1.874 0.653 0.325 0.833 0.500 CB 1.229 19 residues pruned to eliminate duplicates Z: 14 14.326 1.950 0.805 0.562 1.000 0.846 CB 1.063 14 residues pruned to eliminate duplicates Z: 8 2.603 1.574 0.524 0.450 0.857 0.571 CB 0.504 8 residues pruned to eliminate duplicates Z: 12 8.561 1.822 0.592 0.431 1.000 0.636 CB 0.956 12 residues pruned to eliminate duplicates Z: 15 8.477 1.888 0.471 0.423 0.857 0.500 CB 1.031 15 residues pruned to eliminate duplicates Z: 22 15.377 1.893 0.833 0.439 0.905 0.667 CB 1.139 22 residues pruned to eliminate duplicates Z: 11 8.710 1.640 0.576 0.777 1.000 0.700 CB 0.834 11 residues pruned to eliminate duplicates Z: 23 12.158 1.853 0.646 0.440 0.909 0.636 CB 0.994 23 residues pruned to eliminate duplicates Z: 17 9.498 1.849 0.592 0.440 0.812 0.562 CB 1.056 17 residues pruned to eliminate duplicates Z: 15 11.061 1.842 0.844 0.490 0.857 0.643 CB 1.026 15 residues pruned to eliminate duplicates Z: 22 12.540 1.828 0.704 0.420 0.857 0.571 CB 1.114 22 residues pruned to eliminate duplicates Z: 15 12.521 1.865 0.751 0.516 0.929 0.714 CB 1.086 15 residues pruned to eliminate duplicates Z: 6 5.606 1.776 0.245 0.466 1.000 1.000 CB 1.174 7 residues pruned to eliminate duplicates Z: 7 4.914 1.451 1.002 0.318 0.667 0.500 C 1.266 5 residues pruned to eliminate duplicates Z: 7 3.742 1.496 0.316 0.381 1.000 1.000 CB 0.881 7 residues pruned to eliminate duplicates Z: 6 3.719 1.685 0.822 0.479 0.800 0.800 CB 0.692 6 residues pruned to eliminate duplicates Z: 15 12.193 1.942 0.452 0.463 0.929 0.429 CB 1.293 15 residues pruned to eliminate duplicates Z: 16 16.590 1.909 0.599 0.524 1.000 0.533 CB 1.370 16 residues pruned to eliminate duplicates Z: 13 14.858 1.963 0.523 0.514 0.917 0.417 CB 1.544 13 residues pruned to eliminate duplicates Z: 15 12.986 1.893 0.643 0.471 1.000 0.429 CB 1.149 15 residues pruned to eliminate duplicates Z: 13 9.625 1.880 0.597 0.246 0.833 0.333 CB 1.490 13 residues pruned to eliminate duplicates Z: 10 9.469 1.731 0.774 0.415 0.889 0.556 N 1.263 10 residues pruned to eliminate duplicates Z: 11 8.253 1.747 0.857 0.331 0.700 0.300 CA 1.383 11 residues pruned to eliminate duplicates Z: 15 9.453 1.912 0.663 0.282 0.714 0.286 CB 1.422 15 residues pruned to eliminate duplicates Z: 28 13.528 1.790 0.421 0.411 0.852 0.296 CB 1.320 28 residues pruned to eliminate duplicates Z: 24 11.117 1.793 0.509 0.353 0.783 0.478 CB 1.283 24 residues pruned to eliminate duplicates Z: 15 14.554 1.976 0.475 0.478 0.929 0.429 CB 1.470 15 residues pruned to eliminate duplicates Z: 18 13.421 1.771 0.570 0.388 1.000 0.529 CB 1.318 18 residues pruned to eliminate duplicates Z: 32 14.624 1.787 0.318 0.468 0.839 0.484 CB 1.373 32 residues pruned to eliminate duplicates Z: 29 12.892 1.766 0.494 0.431 0.821 0.500 CB 1.208 29 residues pruned to eliminate duplicates Z: 28 11.026 1.708 0.460 0.443 0.815 0.556 CB 1.108 28 residues pruned to eliminate duplicates Z: 16 8.739 1.824 0.412 0.379 0.867 0.733 CB 1.150 16 residues pruned to eliminate duplicates Z: 17 9.290 1.645 0.426 0.452 0.812 0.500 N 1.281 17 residues pruned to eliminate duplicates Z: 12 10.489 1.758 0.316 0.530 0.909 0.455 N 1.460 12 residues pruned to eliminate duplicates Z: 14 8.609 1.740 0.076 0.528 1.000 0.538 CB 1.240 14 residues pruned to eliminate duplicates Z: 19 11.595 1.731 0.366 0.556 0.889 0.444 CB 1.232 19 residues pruned to eliminate duplicates Z: 27 12.300 1.816 0.220 0.489 0.846 0.500 CB 1.301 27 residues pruned to eliminate duplicates Z: 23 11.591 1.747 0.301 0.606 0.955 0.727 CB 1.029 23 residues pruned to eliminate duplicates Z: 33 19.189 1.850 0.493 0.577 0.938 0.688 CB 1.216 32 residues pruned to eliminate duplicates Z: 15 17.584 1.863 0.526 0.897 1.000 0.929 CB 1.183 16 residues pruned to eliminate duplicates Z: 15 16.507 1.868 0.419 0.898 1.000 0.929 CB 1.190 15 residues pruned to eliminate duplicates Z: 22 11.178 1.771 0.298 0.671 0.857 0.619 CB 1.058 22 residues pruned to eliminate duplicates Z: 26 12.634 1.767 0.454 0.575 0.880 0.640 CB 1.040 26 residues pruned to eliminate duplicates Z: 36 17.893 1.825 0.571 0.546 0.857 0.571 CB 1.177 36 residues pruned to eliminate duplicates Z: 20 13.860 1.788 0.485 0.691 0.895 0.684 CB 1.124 19 residues pruned to eliminate duplicates Z: 15 17.703 1.858 0.512 0.887 1.000 0.929 CB 1.214 16 residues pruned to eliminate duplicates Z: 15 17.746 1.860 0.546 0.904 1.000 0.786 CB 1.174 15 residues pruned to eliminate duplicates Z: 9 9.639 1.750 0.724 0.762 0.875 0.500 CA 1.023 9 residues pruned to eliminate duplicates Z: 12 11.296 1.713 0.622 0.853 1.000 0.636 CB 0.906 11 residues pruned to eliminate duplicates Z: 14 10.914 1.647 0.807 0.885 0.923 0.846 CB 0.796 14 residues pruned to eliminate duplicates Z: 8 11.111 1.696 0.984 0.605 0.857 0.429 CB 1.319 8 residues pruned to eliminate duplicates Z: 8 6.691 1.697 0.697 0.593 0.714 0.571 CB 1.125 8 residues pruned to eliminate duplicates Z: 12 14.266 1.749 0.625 0.790 1.000 0.727 CA 1.173 12 residues pruned to eliminate duplicates Z: 11 9.996 1.691 0.672 0.733 0.900 0.700 CB 1.008 11 residues pruned to eliminate duplicates Z: 10 11.617 1.781 0.563 0.715 0.889 0.556 CA 1.289 10 residues pruned to eliminate duplicates Z: 16 16.215 1.757 0.593 0.685 1.000 0.667 CB 1.262 11 residues pruned to eliminate duplicates Z: 10 11.978 1.727 0.521 0.846 1.000 0.778 CA 1.129 10 residues pruned to eliminate duplicates Z: 12 9.520 1.706 0.716 0.567 0.818 0.545 CB 1.123 12 residues pruned to eliminate duplicates Z: 18 6.515 1.559 0.562 0.286 0.706 0.294 N 1.170 18 residues pruned to eliminate duplicates Z: 10 5.901 1.671 0.662 0.404 0.889 0.222 CB 0.882 10 residues pruned to eliminate duplicates Z: 9 8.148 1.745 0.559 0.371 0.875 0.125 CB 1.389 9 residues pruned to eliminate duplicates Z: 8 5.493 1.764 0.625 0.395 0.714 0.429 CB 1.133 8 residues pruned to eliminate duplicates Z: 10 5.621 1.631 0.499 0.327 0.667 0.222 N 1.389 10 residues pruned to eliminate duplicates Z: 13 6.543 1.521 0.368 0.372 0.833 0.333 N 1.250 16 residues pruned to eliminate duplicates Z: 16 11.812 1.665 0.368 0.817 1.000 0.733 CB 1.017 15 residues pruned to eliminate duplicates Z: 16 13.322 1.636 0.785 0.813 0.867 0.667 CB 1.035 16 residues pruned to eliminate duplicates Z: 7 10.079 1.925 0.435 0.563 1.000 0.833 CB 1.402 7 residues pruned to eliminate duplicates Z: 11 7.993 1.778 0.398 0.544 0.800 0.800 CB 1.218 11 residues pruned to eliminate duplicates Z: 16 13.960 1.713 0.783 0.815 0.867 0.667 CB 1.035 17 residues pruned to eliminate duplicates Z: 15 14.072 1.753 0.509 0.867 0.929 0.643 CB 1.119 15 residues pruned to eliminate duplicates Z: 13 11.725 1.842 0.602 0.590 0.917 0.750 CB 1.148 13 residues pruned to eliminate duplicates Z: 13 9.980 1.776 0.344 0.595 1.000 0.750 CB 1.102 13 residues pruned to eliminate duplicates Z: 14 16.653 1.793 0.741 0.755 1.000 0.846 CB 1.179 14 residues pruned to eliminate duplicates Z: 13 13.811 1.787 0.587 0.752 0.917 0.917 CB 1.225 13 residues pruned to eliminate duplicates Z: 7 7.120 1.628 0.446 0.764 1.000 0.500 CB 0.977 7 residues pruned to eliminate duplicates Z: 23 5.454 1.586 0.519 0.425 0.727 0.364 CB 0.717 23 residues pruned to eliminate duplicates Z: 18 10.643 1.634 0.248 0.688 1.000 0.647 CB 1.065 18 residues pruned to eliminate duplicates Z: 21 10.740 1.542 0.411 0.543 0.900 0.600 CB 1.175 21 residues pruned to eliminate duplicates Z: 13 13.592 1.697 0.443 0.886 1.000 0.917 CB 1.156 13 residues pruned to eliminate duplicates Z: 10 9.274 1.665 0.492 0.854 0.889 0.778 CB 1.034 10 residues pruned to eliminate duplicates Z: 26 13.110 1.650 0.537 0.516 0.880 0.480 CB 1.156 39 residues pruned to eliminate duplicates Z: 12 11.810 1.734 0.379 0.884 1.000 0.818 CB 1.076 12 residues pruned to eliminate duplicates Z: 13 14.304 1.694 0.571 0.797 1.000 0.917 CB 1.196 13 residues pruned to eliminate duplicates Z: 15 13.447 1.683 0.395 0.750 1.000 0.857 CB 1.224 15 residues pruned to eliminate duplicates Z: 14 12.000 1.744 0.533 0.672 0.846 0.538 CB 1.255 14 residues pruned to eliminate duplicates Z: 15 17.407 1.757 0.800 0.725 1.000 0.714 CB 1.201 15 residues pruned to eliminate duplicates Z: 21 11.098 1.637 0.439 0.543 0.900 0.650 CB 1.123 21 residues pruned to eliminate duplicates Z: 16 12.444 1.640 0.633 0.669 0.933 0.733 CB 1.100 16 residues pruned to eliminate duplicates Z: 21 12.880 1.600 0.681 0.554 0.900 0.600 CB 1.129 21 residues pruned to eliminate duplicates Z: 14 6.750 1.623 0.613 0.479 0.923 0.615 CB 0.791 14 residues pruned to eliminate duplicates Z: 13 7.423 1.590 0.758 0.495 0.833 0.667 CB 0.925 13 residues pruned to eliminate duplicates Z: 15 11.543 1.694 0.752 0.551 1.000 0.643 CB 0.989 11 residues pruned to eliminate duplicates Z: 6 4.107 1.378 0.698 0.465 1.000 1.000 N 0.814 Z: 6 3.385 1.204 0.887 0.297 1.000 0.600 N 0.835 Z: 6 3.174 1.302 1.026 0.298 0.800 0.400 CA 0.843 Z: 9 15.605 1.889 0.923 0.610 0.875 0.375 CB 1.563 9 residues pruned to eliminate duplicates Z: 26 14.560 1.824 0.460 0.484 0.800 0.360 CB 1.389 26 residues pruned to eliminate duplicates Z: 26 15.655 1.851 0.448 0.557 0.840 0.480 CB 1.316 26 residues pruned to eliminate duplicates Z: 29 16.487 1.765 0.521 0.478 0.929 0.607 CB 1.278 29 residues pruned to eliminate duplicates Z: 15 11.409 1.878 0.501 0.450 0.929 0.571 CB 1.226 15 residues pruned to eliminate duplicates Z: 24 15.469 1.817 0.344 0.482 0.913 0.435 CB 1.473 24 residues pruned to eliminate duplicates Z: 38 15.243 1.812 0.387 0.487 0.838 0.459 CB 1.206 38 residues pruned to eliminate duplicates Z: 27 13.473 1.677 0.614 0.358 0.808 0.462 CB 1.408 27 residues pruned to eliminate duplicates Z: 32 22.439 1.904 0.590 0.644 0.903 0.387 CB 1.289 44 residues pruned to eliminate duplicates 6 1.075 1.265 0.653 0.271 0.600 0.400 CB 0.497 ? Z: 7 3.496 1.262 0.799 0.436 1.000 0.667 N 0.671 Z: 14 12.556 1.791 0.272 0.752 0.923 0.769 CA 1.323 14 residues pruned to eliminate duplicates Z: 38 13.753 1.859 0.369 0.431 0.838 0.432 CB 1.138 44 residues pruned to eliminate duplicates Z: 13 7.670 1.565 0.457 0.593 0.833 0.667 CA 1.066 13 residues pruned to eliminate duplicates Z: 13 10.915 1.836 0.324 0.666 0.833 0.583 CA 1.335 13 residues pruned to eliminate duplicates Z: 16 14.901 1.757 0.548 0.628 0.933 0.733 CB 1.344 16 residues pruned to eliminate duplicates Z: 38 19.000 1.960 0.454 0.418 0.865 0.459 CB 1.381 38 residues pruned to eliminate duplicates Z: 11 17.071 1.949 0.886 0.775 1.000 0.800 CA 1.152 11 residues pruned to eliminate duplicates Z: 40 20.147 1.963 0.568 0.406 0.923 0.513 CB 1.253 40 residues pruned to eliminate duplicates Z: 40 21.662 1.999 0.518 0.457 0.897 0.538 CB 1.331 40 residues pruned to eliminate duplicates Z: 21 21.606 1.914 0.678 0.685 0.900 0.600 CB 1.410 21 residues pruned to eliminate duplicates Z: 40 19.064 2.012 0.435 0.483 0.872 0.641 CB 1.234 40 residues pruned to eliminate duplicates Z: 18 15.988 1.862 0.604 0.632 0.882 0.353 CB 1.300 18 residues pruned to eliminate duplicates Z: 16 18.068 1.872 0.617 0.651 0.933 0.600 CA 1.434 16 residues pruned to eliminate duplicates Z: 40 19.790 1.956 0.629 0.419 0.846 0.410 CB 1.279 40 residues pruned to eliminate duplicates Z: 25 23.424 1.969 0.587 0.681 0.917 0.667 CB 1.413 25 residues pruned to eliminate duplicates Z: 51 18.409 1.939 0.357 0.423 0.800 0.520 CB 1.340 58 residues pruned to eliminate duplicates Z: 40 20.899 2.014 0.455 0.471 0.872 0.641 CB 1.349 40 residues pruned to eliminate duplicates Z: 26 20.271 2.002 0.602 0.575 0.840 0.800 CB 1.400 26 residues pruned to eliminate duplicates Z: 42 20.581 2.008 0.457 0.467 0.878 0.585 CB 1.294 42 residues pruned to eliminate duplicates Z: 40 20.218 2.038 0.371 0.451 0.872 0.615 CB 1.398 40 residues pruned to eliminate duplicates Z: 40 19.007 1.992 0.442 0.426 0.846 0.487 CB 1.352 40 residues pruned to eliminate duplicates Z: 51 24.517 1.958 0.577 0.473 0.880 0.560 CB 1.311 51 residues pruned to eliminate duplicates Z: 28 15.575 1.858 0.655 0.427 0.889 0.556 CB 1.182 28 residues pruned to eliminate duplicates Z: 40 22.602 1.997 0.522 0.479 0.897 0.718 CB 1.356 40 residues pruned to eliminate duplicates Z: 42 21.662 1.952 0.435 0.502 0.854 0.512 CB 1.411 42 residues pruned to eliminate duplicates Z: 30 18.724 1.967 0.438 0.531 0.862 0.621 CB 1.383 30 residues pruned to eliminate duplicates Z: 40 20.001 1.963 0.438 0.438 0.872 0.564 CB 1.387 40 residues pruned to eliminate duplicates Z: 37 22.529 2.042 0.461 0.483 0.917 0.556 CB 1.397 37 residues pruned to eliminate duplicates Z: 15 7.803 2.032 0.299 0.309 0.786 0.571 CB 1.242 Z: 7 4.161 1.718 0.526 0.539 0.833 0.667 CB 0.748 12 residues pruned to eliminate duplicates Z: 6 5.014 1.583 0.358 0.387 1.000 0.200 CB 1.177 6 residues pruned to eliminate duplicates Z: 38 21.160 2.006 0.471 0.471 0.838 0.541 CB 1.449 48 residues pruned to eliminate duplicates Z: 10 6.214 2.163 -0.030 0.240 0.889 0.444 CB 1.501 Z: 9 7.577 1.518 0.554 0.565 1.000 0.250 CA 1.067 7 residues pruned to eliminate duplicates Z: 6 2.086 1.470 0.405 0.256 1.000 0.600 CA 0.598 Z: 9 5.589 1.246 1.124 0.477 0.875 0.500 N 0.873 Z: 6 4.217 1.327 0.862 0.452 1.000 0.800 CA 0.802 Z: 7 4.952 1.335 0.691 0.456 1.000 0.667 CB 0.937 Z: 20 16.967 1.855 0.542 0.712 1.000 0.632 CB 1.123 Z: 18 16.329 1.809 0.563 0.708 1.000 0.824 CB 1.159 17 residues pruned to eliminate duplicates Z: 14 14.080 1.913 0.631 0.719 1.000 0.769 CB 1.027 14 residues pruned to eliminate duplicates Z: 27 13.464 1.843 0.355 0.552 0.846 0.500 CB 1.188 20 residues pruned to eliminate duplicates Z: 14 16.779 1.895 0.696 0.762 1.000 0.923 CB 1.148 14 residues pruned to eliminate duplicates Z: 30 18.038 1.850 0.439 0.611 0.931 0.759 CB 1.217 52 residues pruned to eliminate duplicates Z: 16 18.681 1.921 0.573 0.809 1.000 0.933 CB 1.220 16 residues pruned to eliminate duplicates Z: 37 18.316 1.824 0.512 0.528 0.889 0.556 CB 1.210 29 residues pruned to eliminate duplicates Z: 15 16.959 1.924 0.577 0.811 1.000 0.857 CB 1.140 15 residues pruned to eliminate duplicates Z: 37 24.567 1.898 0.610 0.569 0.944 0.611 CB 1.327 42 residues pruned to eliminate duplicates Z: 14 17.495 1.915 0.648 0.799 1.000 0.769 CB 1.183 14 residues pruned to eliminate duplicates Z: 30 17.840 1.885 0.529 0.553 0.931 0.793 CB 1.172 30 residues pruned to eliminate duplicates Z: 31 20.506 1.884 0.593 0.607 0.967 0.667 CB 1.166 31 residues pruned to eliminate duplicates Z: 15 16.949 1.907 0.631 0.790 1.000 0.857 CB 1.129 15 residues pruned to eliminate duplicates Z: 32 19.792 1.857 0.596 0.572 0.968 0.645 CB 1.156 32 residues pruned to eliminate duplicates Z: 46 20.838 1.877 0.529 0.543 0.889 0.578 CB 1.168 36 residues pruned to eliminate duplicates Z: 19 16.368 1.839 0.662 0.683 0.944 0.556 CB 1.130 19 residues pruned to eliminate duplicates Z: 45 24.998 1.937 0.568 0.570 0.886 0.545 CB 1.308 47 residues pruned to eliminate duplicates Z: 6 6.089 1.816 0.580 0.315 1.000 0.800 CA 1.165 6 residues pruned to eliminate duplicates Z: 35 25.749 1.940 0.666 0.593 0.971 0.618 CB 1.288 35 residues pruned to eliminate duplicates Z: 35 26.238 1.936 0.622 0.652 0.971 0.735 CB 1.282 35 residues pruned to eliminate duplicates Z: 47 24.129 1.898 0.591 0.582 0.891 0.565 CB 1.222 46 residues pruned to eliminate duplicates Z: 6 5.845 1.586 0.451 0.423 1.000 0.600 CA 1.231 6 residues pruned to eliminate duplicates Z: 21 12.379 1.869 0.558 0.397 0.850 0.450 CB 1.247 21 residues pruned to eliminate duplicates Z: 8 8.766 1.954 0.345 0.525 0.857 0.286 CB 1.435 9 residues pruned to eliminate duplicates Z: 8 9.432 1.766 0.522 0.516 1.000 0.429 CA 1.306 8 residues pruned to eliminate duplicates Z: 46 25.086 1.897 0.576 0.548 0.933 0.644 CB 1.279 46 residues pruned to eliminate duplicates Z: 46 23.550 1.918 0.640 0.537 0.889 0.622 CB 1.210 46 residues pruned to eliminate duplicates Z: 13 15.441 2.043 0.606 0.595 0.917 0.667 CB 1.354 13 residues pruned to eliminate duplicates Z: 7 10.591 1.825 0.488 0.668 1.000 0.667 CA 1.363 7 residues pruned to eliminate duplicates Z: 12 6.175 1.695 0.426 0.353 0.909 0.545 CB 0.993 10 residues pruned to eliminate duplicates Z: 8 2.217 1.068 0.367 0.497 1.000 0.714 CB 0.576 Z: 16 14.354 1.833 0.544 0.806 0.867 0.800 CB 1.157 21 residues pruned to eliminate duplicates Z: 11 17.105 1.781 0.576 0.837 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 10 14.372 1.771 0.603 0.869 1.000 0.889 CB 1.233 10 residues pruned to eliminate duplicates Z: 11 17.311 1.991 0.542 0.905 1.000 1.000 CB 1.270 11 residues pruned to eliminate duplicates Z: 17 15.502 1.925 0.484 0.781 1.000 0.750 CB 1.059 17 residues pruned to eliminate duplicates Z: 16 16.983 1.910 0.427 0.756 1.000 0.733 CB 1.281 16 residues pruned to eliminate duplicates Z: 18 14.747 1.872 0.656 0.738 0.882 0.647 CB 1.056 18 residues pruned to eliminate duplicates Z: 18 14.648 1.906 0.602 0.718 1.000 0.706 CB 0.956 18 residues pruned to eliminate duplicates Z: 18 16.611 1.858 0.581 0.762 0.941 0.765 CB 1.154 18 residues pruned to eliminate duplicates Z: 14 13.265 1.911 0.298 0.715 0.923 0.846 CB 1.323 14 residues pruned to eliminate duplicates Z: 17 14.475 1.936 0.382 0.754 0.938 0.688 CB 1.151 17 residues pruned to eliminate duplicates Z: 17 13.502 1.889 0.290 0.739 0.938 0.688 CB 1.192 17 residues pruned to eliminate duplicates Z: 19 13.931 1.885 0.286 0.692 0.944 0.500 CB 1.203 19 residues pruned to eliminate duplicates Z: 19 14.538 1.882 0.377 0.671 0.889 0.722 CB 1.271 19 residues pruned to eliminate duplicates Z: 20 16.552 1.766 0.515 0.698 1.000 0.737 CA 1.185 20 residues pruned to eliminate duplicates Z: 20 15.093 1.739 0.469 0.674 0.947 0.842 CB 1.219 26 residues pruned to eliminate duplicates Z: 18 18.509 1.852 0.488 0.817 1.000 0.824 CB 1.237 21 residues pruned to eliminate duplicates Z: 6 7.564 1.543 0.997 0.492 1.000 0.800 CA 1.107 6 residues pruned to eliminate duplicates Z: 11 7.237 1.812 0.438 0.247 0.900 0.500 CB 1.306 17 residues pruned to eliminate duplicates Z: 9 6.799 1.710 0.526 0.315 0.875 0.500 CB 1.291 9 residues pruned to eliminate duplicates Z: 16 7.442 1.748 0.428 0.214 0.867 0.533 CB 1.244 16 residues pruned to eliminate duplicates Z: 13 10.075 1.803 0.472 0.297 1.000 0.583 CB 1.375 13 residues pruned to eliminate duplicates Z: 7 5.088 1.652 0.295 0.376 0.833 0.333 O 1.330 7 residues pruned to eliminate duplicates Z: 15 8.285 1.742 0.353 0.269 0.857 0.500 CB 1.425 15 residues pruned to eliminate duplicates Z: 6 3.126 1.507 0.021 0.489 0.800 0.600 O 1.149 6 residues pruned to eliminate duplicates Z: 15 6.820 1.694 0.362 0.262 0.857 0.429 CB 1.210 15 residues pruned to eliminate duplicates Z: 9 6.048 1.342 0.657 0.513 0.750 0.500 O 1.266 6 residues pruned to eliminate duplicates Z: 6 3.744 1.502 0.709 0.425 1.000 0.800 CB 0.705 6 residues pruned to eliminate duplicates Z: 12 5.062 1.669 0.630 0.376 0.909 0.636 CB 0.705 12 residues pruned to eliminate duplicates 803 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 6 D: 6 E: 6 F: 8 G: 7 H: 17 I: 6 J: 6 K: 6 L: 7 M: 13 N: 24 O: 63 P: 31 Q: 14 R: 7 S: 41 T: 22 U: 13 V: 12 W: 45 X: 11 Y: 9 Z: 8 Z: 44 Z: 18 Z: 10 Z: 11 Z: 7 Z: 34 Z: 16 Z: 33 Z: 15 Z: 32 Z: 62 Z: 38 Z: 45 Z: 18 Z: 18 CC for partial structure against native data = 29.72 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.463, Connect. = 0.665 for dens.mod. cycle 1 = 0.300, Contrast = 0.537, Connect. = 0.690 for dens.mod. cycle 2 = 0.300, Contrast = 0.628, Connect. = 0.723 for dens.mod. cycle 3 = 0.300, Contrast = 0.642, Connect. = 0.727 for dens.mod. cycle 4 = 0.300, Contrast = 0.653, Connect. = 0.731 for dens.mod. cycle 5 = 0.300, Contrast = 0.659, Connect. = 0.734 for dens.mod. cycle 6 = 0.300, Contrast = 0.663, Connect. = 0.736 for dens.mod. cycle 7 = 0.300, Contrast = 0.666, Connect. = 0.738 for dens.mod. cycle 8 = 0.300, Contrast = 0.668, Connect. = 0.739 for dens.mod. cycle 9 = 0.300, Contrast = 0.668, Connect. = 0.740 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4127 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1089 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 24.027 1.923 0.783 0.898 1.000 0.857 CB 1.340 B: 13 29.400 2.150 0.955 0.863 1.000 0.833 CB 1.482 15 residues pruned to eliminate duplicates C: 14 25.994 2.100 0.877 0.903 1.000 1.000 CB 1.304 14 residues pruned to eliminate duplicates D: 12 11.214 1.895 0.523 0.539 1.000 0.636 CB 1.128 E: 13 29.720 2.188 0.912 0.856 1.000 0.750 CB 1.512 13 residues pruned to eliminate duplicates F: 11 14.967 1.867 0.806 0.857 0.900 0.800 CB 1.149 G: 9 12.921 1.858 0.926 0.631 0.875 0.625 CB 1.290 H: 11 15.938 1.984 0.481 0.866 1.000 0.900 CB 1.256 I: 15 20.948 1.849 0.587 0.872 1.000 0.929 CB 1.389 J: 12 5.311 1.717 0.118 0.414 0.818 0.455 CB 1.115 K: 13 20.034 2.077 0.962 0.490 0.917 0.333 CB 1.564 9 residues pruned to eliminate duplicates L: 9 12.656 1.788 0.595 0.799 1.000 0.625 CB 1.208 8 residues pruned to eliminate duplicates M: 14 20.316 1.868 0.581 0.848 1.000 0.846 CB 1.416 N: 13 14.914 1.933 1.093 0.659 0.833 0.667 CB 1.101 O: 14 13.943 2.037 0.356 0.537 1.000 0.769 CB 1.351 P: 14 23.626 2.100 0.625 0.804 1.000 0.769 CB 1.473 14 residues pruned to eliminate duplicates Q: 7 9.570 1.641 0.472 0.858 1.000 1.000 CA 1.191 R: 7 8.442 1.401 0.408 0.867 1.000 1.000 N 1.278 S: 12 15.155 1.951 0.531 0.833 0.909 0.727 CB 1.262 T: 11 10.291 1.827 0.295 0.873 0.900 0.800 CB 1.113 U: 11 12.289 1.710 0.517 0.855 1.000 0.800 CA 1.105 11 residues pruned to eliminate duplicates V: 9 10.492 1.716 0.497 0.757 1.000 0.625 O 1.149 W: 13 5.775 1.939 0.160 0.392 0.917 0.750 CB 0.906 X: 6 4.820 1.622 0.258 0.594 0.800 0.400 CB 1.208 Y: 15 22.061 2.017 0.965 0.653 1.000 0.786 CB 1.290 13 residues pruned to eliminate duplicates Z: 7 2.095 1.599 0.080 0.428 0.667 0.667 CB 0.800 Z: 14 22.633 1.937 0.657 0.858 0.923 0.923 CB 1.560 15 residues pruned to eliminate duplicates Z: 21 14.826 1.813 0.544 0.674 0.900 0.400 CB 1.120 21 residues pruned to eliminate duplicates Z: 15 15.155 1.700 0.459 0.842 1.000 0.714 CB 1.216 15 residues pruned to eliminate duplicates Z: 47 22.362 1.942 0.411 0.521 0.935 0.717 CB 1.261 27 residues pruned to eliminate duplicates Z: 18 16.694 1.835 0.496 0.832 1.000 0.765 CB 1.108 11 residues pruned to eliminate duplicates Z: 15 16.731 1.862 0.382 0.845 1.000 0.857 CB 1.292 15 residues pruned to eliminate duplicates Z: 14 17.896 1.852 0.804 0.785 1.000 0.692 CB 1.156 Z: 6 6.916 1.621 1.022 0.843 1.000 0.800 CB 0.703 Z: 7 13.990 1.959 0.470 0.751 1.000 0.833 N 1.586 9 residues pruned to eliminate duplicates Z: 6 4.279 1.691 0.003 0.384 1.000 0.600 CA 1.276 Z: 6 7.676 1.850 0.259 0.621 0.800 0.600 N 1.643 Z: 17 15.343 1.870 0.803 0.756 0.875 0.812 CB 1.035 17 residues pruned to eliminate duplicates Z: 16 8.438 1.645 0.177 0.812 0.933 0.867 CB 0.919 Z: 14 17.667 1.871 0.483 0.830 1.000 0.846 CB 1.328 14 residues pruned to eliminate duplicates Z: 8 11.262 1.684 0.499 0.854 0.857 0.857 CB 1.452 Z: 9 4.814 1.459 0.357 0.437 0.875 0.375 N 1.049 Z: 9 10.090 1.674 0.485 0.670 1.000 1.000 CB 1.226 Z: 14 20.905 2.027 0.767 0.671 1.000 0.538 CB 1.381 14 residues pruned to eliminate duplicates Z: 14 16.673 1.977 0.763 0.657 0.923 0.769 CB 1.242 14 residues pruned to eliminate duplicates Z: 9 3.778 1.719 -0.213 0.636 0.750 0.750 CB 1.159 Z: 15 10.542 1.869 -0.056 0.829 0.929 0.786 CB 1.295 11 residues pruned to eliminate duplicates Z: 7 10.539 1.988 0.260 0.755 1.000 0.833 CB 1.368 7 residues pruned to eliminate duplicates Z: 15 13.327 1.885 0.348 0.893 0.929 0.857 CB 1.084 16 residues pruned to eliminate duplicates Z: 21 15.209 2.005 0.506 0.456 0.900 0.550 CB 1.309 14 residues pruned to eliminate duplicates Z: 13 11.962 1.884 0.514 0.506 0.917 0.583 CB 1.314 13 residues pruned to eliminate duplicates Z: 6 7.219 1.687 0.746 0.408 0.800 0.400 CB 1.509 Z: 15 22.195 1.815 0.584 0.863 1.000 0.786 CB 1.514 14 residues pruned to eliminate duplicates Z: 14 13.748 1.676 0.996 0.583 0.846 0.615 CB 1.244 Z: 15 11.574 1.830 0.087 0.894 1.000 1.000 CB 1.116 16 residues pruned to eliminate duplicates Z: 13 6.495 1.476 0.195 0.818 1.000 0.833 CB 0.806 10 residues pruned to eliminate duplicates Z: 16 12.909 1.703 0.343 0.879 1.000 0.800 CB 1.057 15 residues pruned to eliminate duplicates Z: 18 23.442 2.051 0.837 0.659 0.941 0.588 CB 1.384 14 residues pruned to eliminate duplicates Z: 12 17.281 1.930 0.819 0.861 0.909 0.636 CB 1.199 12 residues pruned to eliminate duplicates Z: 10 13.644 1.757 0.918 0.809 1.000 1.000 CB 1.031 Z: 12 12.935 1.836 0.455 0.884 1.000 1.000 CB 1.055 Z: 6 6.677 1.741 0.236 0.810 1.000 0.600 CB 1.059 Z: 8 5.336 1.505 -0.034 0.715 0.857 0.714 CB 1.332 Z: 8 7.147 1.786 0.520 0.393 0.857 0.571 CB 1.299 Z: 29 15.918 1.734 0.769 0.514 0.857 0.464 CB 1.128 Z: 9 8.019 1.765 0.502 0.864 1.000 0.875 CB 0.784 Z: 8 2.485 1.586 0.083 0.447 0.857 0.286 N 0.673 Z: 6 5.190 1.691 0.370 0.453 0.800 0.400 CB 1.314 Z: 8 5.327 1.739 0.466 0.475 0.857 0.571 CB 0.945 Z: 12 6.166 1.694 0.512 0.453 0.909 0.545 CB 0.838 Z: 14 15.190 2.051 0.279 0.873 0.923 0.769 CB 1.268 14 residues pruned to eliminate duplicates Z: 7 7.537 1.496 0.637 0.802 0.833 0.667 CA 1.158 7 residues pruned to eliminate duplicates Z: 8 12.906 1.887 0.644 0.793 1.000 1.000 CB 1.216 8 residues pruned to eliminate duplicates Z: 8 5.419 1.535 -0.136 0.884 0.857 0.857 N 1.302 8 residues pruned to eliminate duplicates Z: 16 15.788 1.837 0.418 0.709 0.933 0.800 CB 1.387 16 residues pruned to eliminate duplicates Z: 10 4.986 1.604 0.569 0.683 0.889 0.778 CB 0.628 Z: 14 5.885 1.612 0.432 0.383 0.846 0.385 CB 0.946 Z: 10 7.160 1.775 0.255 0.617 0.889 0.444 CB 1.079 Z: 18 10.464 1.842 0.624 0.466 0.882 0.647 CB 0.995 18 residues pruned to eliminate duplicates Z: 15 20.321 1.842 0.765 0.899 0.929 0.714 CB 1.286 16 residues pruned to eliminate duplicates Z: 12 7.403 1.784 0.400 0.348 0.818 0.545 CB 1.289 Z: 14 12.008 1.708 0.521 0.863 1.000 0.538 CB 0.941 Z: 16 18.397 1.731 0.587 0.869 1.000 0.733 CB 1.263 16 residues pruned to eliminate duplicates Z: 6 2.598 1.448 0.559 0.298 0.600 0.600 O 1.076 Z: 14 19.420 1.826 0.673 0.894 0.923 0.923 CA 1.370 14 residues pruned to eliminate duplicates Z: 9 10.285 1.797 0.531 0.800 0.875 0.750 CB 1.163 8 residues pruned to eliminate duplicates Z: 16 16.622 1.840 0.264 0.938 1.000 0.933 CB 1.283 15 residues pruned to eliminate duplicates Z: 10 21.036 2.028 0.593 0.861 1.000 0.889 CB 1.594 12 residues pruned to eliminate duplicates Z: 7 5.250 1.584 0.285 0.701 0.833 0.833 CB 1.053 Z: 8 3.921 1.451 0.739 0.311 0.714 0.429 N 1.013 Z: 7 5.088 1.688 -0.064 0.704 1.000 0.667 CB 1.092 7 residues pruned to eliminate duplicates Z: 7 3.547 1.668 0.432 0.272 0.667 0.333 CB 1.178 Z: 13 9.744 1.721 1.125 0.788 0.833 0.833 CB 0.716 13 residues pruned to eliminate duplicates Z: 16 21.686 1.923 0.758 0.776 0.867 0.733 CA 1.498 18 residues pruned to eliminate duplicates Z: 30 12.197 1.875 0.460 0.367 0.793 0.448 CB 1.203 30 residues pruned to eliminate duplicates Z: 15 18.558 1.839 0.502 0.790 1.000 0.786 CB 1.392 15 residues pruned to eliminate duplicates Z: 7 5.321 1.677 0.109 0.636 0.833 0.500 N 1.234 7 residues pruned to eliminate duplicates Z: 13 17.271 1.989 0.551 0.762 0.917 0.667 CB 1.397 13 residues pruned to eliminate duplicates Z: 19 14.694 1.831 0.376 0.725 0.944 0.500 CB 1.188 19 residues pruned to eliminate duplicates Z: 6 4.590 1.695 0.727 0.584 0.800 0.600 CB 0.809 Z: 14 18.486 1.869 0.453 0.901 1.000 0.923 CA 1.347 14 residues pruned to eliminate duplicates Z: 14 17.981 1.903 0.518 0.858 0.923 0.846 CB 1.377 14 residues pruned to eliminate duplicates Z: 10 9.869 1.460 0.749 0.792 1.000 0.556 CB 0.998 7 residues pruned to eliminate duplicates Z: 11 4.649 1.689 0.499 0.292 0.600 0.400 CB 1.222 Z: 14 13.719 1.980 0.499 0.463 1.000 0.615 CB 1.332 7 residues pruned to eliminate duplicates Z: 14 16.754 1.868 0.748 0.770 1.000 0.846 CB 1.121 14 residues pruned to eliminate duplicates Z: 11 14.359 1.953 0.622 0.771 0.900 0.600 CB 1.253 11 residues pruned to eliminate duplicates Z: 10 14.033 1.677 0.757 0.714 1.000 0.889 CB 1.308 Z: 13 17.446 1.872 0.815 0.879 0.917 0.583 CB 1.173 12 residues pruned to eliminate duplicates Z: 13 13.316 1.857 0.531 0.813 1.000 0.917 CB 1.030 13 residues pruned to eliminate duplicates Z: 32 17.520 1.834 0.544 0.544 0.806 0.484 CB 1.319 29 residues pruned to eliminate duplicates Z: 6 4.913 1.545 0.568 0.616 0.800 0.600 O 1.016 6 residues pruned to eliminate duplicates Z: 16 17.234 1.909 1.047 0.586 0.933 0.667 CB 1.124 16 residues pruned to eliminate duplicates Z: 8 9.412 1.836 0.317 0.866 1.000 1.000 CB 1.077 11 residues pruned to eliminate duplicates Z: 11 6.707 1.515 0.178 0.878 1.000 0.700 CB 0.862 11 residues pruned to eliminate duplicates Z: 15 9.335 1.797 0.289 0.397 1.000 0.500 CB 1.201 15 residues pruned to eliminate duplicates Z: 10 15.521 1.680 0.684 0.859 1.000 0.667 CB 1.346 Z: 8 3.547 1.678 0.190 0.472 1.000 0.571 CB 0.691 Z: 14 20.385 1.852 0.548 0.920 1.000 0.923 CA 1.389 14 residues pruned to eliminate duplicates Z: 16 13.508 1.760 0.512 0.502 1.000 0.667 CB 1.307 Z: 8 14.071 2.061 0.802 0.728 1.000 0.857 CB 1.166 Z: 7 9.858 1.753 0.491 0.740 0.833 0.667 CB 1.491 7 residues pruned to eliminate duplicates Z: 14 27.935 1.982 0.866 0.857 1.000 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 11 6.138 1.786 0.368 0.407 0.800 0.400 CB 1.094 Z: 15 24.761 1.795 0.790 0.861 1.000 0.643 CB 1.513 14 residues pruned to eliminate duplicates Z: 10 5.497 1.677 0.237 0.529 0.889 0.444 N 0.965 Z: 8 15.363 1.837 0.597 0.858 1.000 1.000 N 1.457 7 residues pruned to eliminate duplicates Z: 13 12.582 1.780 0.871 0.625 0.917 0.667 CB 1.058 12 residues pruned to eliminate duplicates Z: 42 18.172 1.890 0.645 0.493 0.829 0.366 CB 1.108 39 residues pruned to eliminate duplicates Z: 12 7.760 1.660 0.433 0.459 0.909 0.727 CB 1.129 10 residues pruned to eliminate duplicates Z: 9 6.614 1.746 0.568 0.423 0.625 0.250 CB 1.480 Z: 11 12.208 1.783 0.661 0.695 1.000 0.800 CB 1.091 12 residues pruned to eliminate duplicates Z: 14 14.980 1.724 1.004 0.865 0.923 0.615 CB 0.954 9 residues pruned to eliminate duplicates Z: 18 12.801 1.861 0.456 0.402 0.882 0.588 CB 1.441 18 residues pruned to eliminate duplicates Z: 6 4.037 1.579 0.239 0.502 0.800 0.600 N 1.151 Z: 15 19.431 1.864 0.777 0.758 1.000 0.786 CB 1.246 15 residues pruned to eliminate duplicates Z: 15 20.683 1.866 0.625 0.771 1.000 0.571 CB 1.435 15 residues pruned to eliminate duplicates Z: 14 15.810 1.785 0.697 0.775 0.923 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 11 8.699 1.673 0.520 0.555 1.000 0.400 CB 1.025 Z: 8 9.394 1.586 0.750 0.814 0.857 0.429 CB 1.136 6 residues pruned to eliminate duplicates Z: 6 3.618 1.566 0.211 0.386 1.000 0.600 N 0.962 Z: 7 3.925 1.502 0.075 0.542 1.000 0.500 CB 0.952 6 residues pruned to eliminate duplicates Z: 17 12.667 1.742 0.711 0.458 0.938 0.562 CB 1.183 Z: 23 13.060 1.756 0.556 0.549 0.864 0.545 CB 1.125 24 residues pruned to eliminate duplicates Z: 15 16.806 1.775 0.616 0.823 0.929 0.714 CB 1.275 15 residues pruned to eliminate duplicates Z: 10 2.115 1.436 0.612 0.219 0.667 0.333 CB 0.636 Z: 15 9.744 1.687 0.438 0.626 0.857 0.571 CB 1.113 10 residues pruned to eliminate duplicates Z: 11 2.960 1.612 0.176 0.208 0.700 0.500 CB 0.997 4 residues pruned to eliminate duplicates Z: 20 16.701 1.738 0.707 0.752 0.842 0.737 CB 1.225 19 residues pruned to eliminate duplicates Z: 13 7.462 1.521 0.397 0.590 0.750 0.583 CB 1.239 Z: 10 8.675 1.587 0.333 0.664 0.889 0.556 CB 1.321 10 residues pruned to eliminate duplicates Z: 7 6.621 1.503 0.100 0.800 1.000 0.667 O 1.258 7 residues pruned to eliminate duplicates Z: 7 8.506 1.804 0.473 0.820 0.833 0.667 N 1.188 7 residues pruned to eliminate duplicates Z: 8 11.143 1.859 0.709 0.760 1.000 0.714 CB 1.052 8 residues pruned to eliminate duplicates Z: 8 9.372 1.850 0.763 0.619 0.857 0.857 CB 1.133 12 residues pruned to eliminate duplicates Z: 15 14.764 1.777 0.619 0.738 0.857 0.357 N 1.292 9 residues pruned to eliminate duplicates Z: 15 8.089 1.804 0.216 0.446 0.786 0.643 CB 1.326 15 residues pruned to eliminate duplicates Z: 6 3.781 1.740 0.364 0.447 0.600 0.400 CB 1.254 6 residues pruned to eliminate duplicates Z: 16 15.724 1.915 0.626 0.799 0.800 0.400 CB 1.255 16 residues pruned to eliminate duplicates Z: 13 19.061 1.918 0.481 0.839 1.000 0.750 CB 1.446 13 residues pruned to eliminate duplicates Z: 7 11.525 1.857 0.390 0.770 1.000 1.000 N 1.435 7 residues pruned to eliminate duplicates Z: 15 10.222 1.646 0.853 0.562 0.857 0.500 CB 0.984 15 residues pruned to eliminate duplicates Z: 12 16.520 1.759 0.498 0.858 1.000 0.909 CB 1.392 11 residues pruned to eliminate duplicates Z: 15 4.775 1.521 0.499 0.347 0.571 0.429 CB 1.157 12 residues pruned to eliminate duplicates Z: 14 9.244 1.700 0.349 0.803 0.923 0.769 CB 0.929 14 residues pruned to eliminate duplicates Z: 6 8.934 1.832 1.058 0.809 0.600 0.600 CA 1.349 Z: 16 15.239 1.817 0.933 0.818 0.867 0.600 CB 0.980 16 residues pruned to eliminate duplicates Z: 14 11.840 1.698 0.481 0.916 1.000 0.923 CB 0.923 13 residues pruned to eliminate duplicates Z: 9 13.432 1.715 0.532 0.923 1.000 0.875 CB 1.270 9 residues pruned to eliminate duplicates Z: 7 4.054 1.602 0.752 0.507 0.667 0.500 CB 0.878 Z: 7 2.359 1.661 0.275 0.226 0.667 0.500 CB 0.939 7 residues pruned to eliminate duplicates Z: 12 8.739 1.658 0.559 0.335 0.909 0.545 CB 1.343 Z: 14 10.826 1.793 0.598 0.415 0.923 0.308 CB 1.240 14 residues pruned to eliminate duplicates Z: 15 13.926 1.928 0.481 0.473 0.857 0.571 N 1.563 14 residues pruned to eliminate duplicates Z: 13 11.965 1.825 0.328 0.914 1.000 1.000 CB 1.008 13 residues pruned to eliminate duplicates Z: 35 20.143 1.897 0.499 0.548 0.882 0.676 CB 1.314 31 residues pruned to eliminate duplicates Z: 9 5.151 1.781 0.151 0.430 0.875 0.375 CB 1.091 Z: 10 11.578 1.764 0.637 0.588 0.889 0.667 CA 1.381 Z: 6 9.672 1.780 0.743 0.751 1.000 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 20 9.772 1.705 0.484 0.504 0.789 0.421 CB 1.117 Z: 12 20.237 1.852 0.888 0.851 0.909 0.818 CB 1.422 17 residues pruned to eliminate duplicates Z: 10 10.154 1.923 0.780 0.660 0.778 0.778 CB 1.096 10 residues pruned to eliminate duplicates Z: 9 4.583 1.448 0.336 0.339 0.875 0.375 CA 1.142 Z: 7 7.819 1.793 0.404 0.664 1.000 0.667 CA 1.089 6 residues pruned to eliminate duplicates Z: 9 6.419 1.568 0.324 0.807 0.875 0.500 CB 0.956 Z: 13 10.844 1.686 0.696 0.885 1.000 0.667 CB 0.790 9 residues pruned to eliminate duplicates Z: 13 10.102 1.697 0.845 0.883 0.917 0.667 CB 0.735 12 residues pruned to eliminate duplicates Z: 17 14.646 1.754 0.527 0.735 0.875 0.750 CB 1.266 15 residues pruned to eliminate duplicates Z: 13 16.634 1.839 0.588 0.907 1.000 0.500 CB 1.169 13 residues pruned to eliminate duplicates Z: 8 8.947 1.721 0.470 0.859 1.000 0.857 CB 0.984 8 residues pruned to eliminate duplicates Z: 14 13.954 1.827 0.218 0.820 0.923 0.615 N 1.428 14 residues pruned to eliminate duplicates Z: 15 22.829 1.792 0.725 0.856 1.000 0.786 CB 1.456 15 residues pruned to eliminate duplicates Z: 41 21.276 1.898 0.432 0.477 0.925 0.650 CB 1.369 55 residues pruned to eliminate duplicates Z: 13 7.345 1.670 0.582 0.340 0.833 0.500 CB 1.147 13 residues pruned to eliminate duplicates Z: 6 7.380 1.730 0.346 0.748 1.000 0.800 CB 1.135 6 residues pruned to eliminate duplicates Z: 10 7.903 1.655 0.218 0.605 0.889 0.556 CB 1.331 Z: 15 14.802 1.662 0.724 0.826 0.929 0.714 CB 1.122 15 residues pruned to eliminate duplicates Z: 17 15.800 1.718 0.646 0.721 0.938 0.562 CB 1.221 18 residues pruned to eliminate duplicates Z: 7 14.893 1.933 0.682 0.790 1.000 0.833 N 1.449 7 residues pruned to eliminate duplicates Z: 10 6.356 1.772 0.495 0.594 0.667 0.444 CB 1.097 8 residues pruned to eliminate duplicates Z: 6 4.577 1.762 0.506 0.619 0.800 0.800 CB 0.862 Z: 16 17.507 1.775 0.525 0.875 1.000 0.800 CB 1.214 15 residues pruned to eliminate duplicates Z: 10 4.457 1.566 0.075 0.572 0.778 0.667 N 1.058 Z: 15 21.077 1.785 0.693 0.890 1.000 0.857 CB 1.341 15 residues pruned to eliminate duplicates Z: 14 12.286 1.755 0.641 0.486 1.000 0.615 CB 1.200 15 residues pruned to eliminate duplicates Z: 9 9.810 1.653 0.771 0.649 0.875 0.875 CB 1.178 9 residues pruned to eliminate duplicates Z: 9 6.445 1.662 0.734 0.518 0.750 0.750 CB 1.036 Z: 8 5.455 1.506 0.221 0.783 0.714 0.429 O 1.223 8 residues pruned to eliminate duplicates Z: 17 11.375 1.859 0.686 0.550 0.812 0.375 CB 1.064 17 residues pruned to eliminate duplicates Z: 7 8.171 1.700 0.162 0.737 1.000 0.667 CA 1.365 7 residues pruned to eliminate duplicates Z: 8 14.690 1.705 1.098 0.551 1.000 0.714 N 1.477 Z: 11 21.399 2.025 0.660 0.853 1.000 0.800 CB 1.488 11 residues pruned to eliminate duplicates Z: 15 15.271 1.803 0.544 0.785 1.000 0.857 CB 1.141 15 residues pruned to eliminate duplicates Z: 6 2.142 1.694 -0.227 0.403 1.000 0.400 CB 0.811 Z: 15 13.645 1.843 0.621 0.682 1.000 0.643 CB 1.032 15 residues pruned to eliminate duplicates Z: 17 15.176 1.905 0.507 0.822 0.875 0.750 CB 1.143 17 residues pruned to eliminate duplicates Z: 23 10.669 1.799 0.260 0.432 0.818 0.500 CB 1.316 29 residues pruned to eliminate duplicates Z: 6 6.506 1.701 0.385 0.836 1.000 1.000 CB 0.925 Z: 9 7.339 1.909 0.515 0.325 0.875 0.375 CB 1.243 9 residues pruned to eliminate duplicates Z: 13 3.779 1.526 -0.034 0.347 0.750 0.500 CB 1.165 Z: 47 20.659 1.854 0.546 0.419 0.870 0.543 CB 1.331 52 residues pruned to eliminate duplicates Z: 6 8.784 1.657 0.444 0.821 1.000 1.000 CA 1.243 Z: 7 2.875 1.569 0.200 0.439 1.000 0.333 CB 0.664 Z: 12 9.435 1.446 0.500 0.847 1.000 0.818 CB 0.974 12 residues pruned to eliminate duplicates Z: 45 20.876 1.852 0.594 0.556 0.909 0.545 CB 1.110 43 residues pruned to eliminate duplicates Z: 16 19.657 1.985 0.544 0.810 1.000 0.733 CB 1.264 15 residues pruned to eliminate duplicates Z: 8 4.073 1.590 0.802 0.242 0.571 0.429 O 1.267 Z: 7 13.035 1.485 1.130 0.836 1.000 0.000 CA 1.259 Z: 16 7.866 1.761 0.376 0.315 0.800 0.533 CB 1.286 16 residues pruned to eliminate duplicates Z: 11 15.684 1.890 0.967 0.582 1.000 0.700 CB 1.233 11 residues pruned to eliminate duplicates Z: 8 12.128 1.771 1.058 0.746 1.000 0.857 CB 1.009 15 residues pruned to eliminate duplicates Z: 7 5.305 1.724 0.371 0.703 0.833 0.667 CB 0.914 Z: 14 14.988 1.977 0.370 0.772 0.923 0.769 CB 1.307 14 residues pruned to eliminate duplicates Z: 8 3.946 1.592 0.229 0.436 0.857 0.857 CB 0.950 8 residues pruned to eliminate duplicates Z: 12 8.359 1.636 0.871 0.569 0.636 0.636 CB 1.211 12 residues pruned to eliminate duplicates Z: 12 14.280 1.799 0.593 0.901 0.909 0.909 CB 1.179 13 residues pruned to eliminate duplicates Z: 17 10.674 1.761 0.586 0.349 0.875 0.500 CA 1.287 10 residues pruned to eliminate duplicates Z: 8 8.181 1.684 0.643 0.864 1.000 1.000 CB 0.819 8 residues pruned to eliminate duplicates Z: 6 10.147 1.640 0.666 0.840 1.000 1.000 CA 1.239 6 residues pruned to eliminate duplicates Z: 14 13.235 1.811 0.338 0.898 1.000 1.000 CB 1.084 14 residues pruned to eliminate duplicates Z: 12 8.485 1.888 0.391 0.419 0.909 0.455 CB 1.165 12 residues pruned to eliminate duplicates Z: 6 5.552 1.635 0.513 0.742 0.800 0.600 N 1.010 6 residues pruned to eliminate duplicates Z: 22 16.684 1.815 0.908 0.507 0.857 0.571 CB 1.219 22 residues pruned to eliminate duplicates Z: 14 21.005 1.905 0.643 0.831 1.000 0.846 CB 1.398 14 residues pruned to eliminate duplicates Z: 7 3.269 1.808 0.503 0.347 0.500 0.333 CB 1.160 6 residues pruned to eliminate duplicates Z: 13 16.880 1.806 0.973 0.593 0.917 0.500 CB 1.365 13 residues pruned to eliminate duplicates Z: 9 3.917 1.644 0.161 0.185 0.875 0.875 CB 1.211 Z: 7 7.500 1.458 0.463 0.787 1.000 0.500 CB 1.116 7 residues pruned to eliminate duplicates Z: 16 13.227 1.755 0.585 0.612 0.933 0.667 CB 1.183 16 residues pruned to eliminate duplicates Z: 7 5.997 1.386 0.475 0.835 0.833 0.667 O 1.077 Z: 7 2.900 1.710 0.504 0.474 0.833 0.667 CB 0.567 Z: 36 17.670 1.834 0.494 0.538 0.771 0.543 CB 1.361 36 residues pruned to eliminate duplicates Z: 15 8.226 1.641 0.662 0.466 0.857 0.429 CB 0.974 11 residues pruned to eliminate duplicates Z: 15 6.393 1.590 0.609 0.520 0.857 0.286 CB 0.763 15 residues pruned to eliminate duplicates Z: 19 9.341 1.892 0.276 0.332 0.889 0.444 CB 1.234 19 residues pruned to eliminate duplicates Z: 11 6.371 1.732 0.301 0.363 0.800 0.500 N 1.295 11 residues pruned to eliminate duplicates Z: 6 3.734 1.564 -0.038 0.776 1.000 0.600 CB 0.870 Z: 39 21.449 1.876 0.647 0.565 0.921 0.658 CB 1.148 38 residues pruned to eliminate duplicates Z: 10 11.665 1.670 0.682 0.867 1.000 0.667 CB 1.013 10 residues pruned to eliminate duplicates Z: 13 13.988 1.717 0.481 0.872 1.000 0.667 CB 1.157 13 residues pruned to eliminate duplicates Z: 12 8.550 1.570 0.463 0.514 1.000 0.636 CB 1.107 9 residues pruned to eliminate duplicates Z: 7 3.240 1.315 0.382 0.669 0.833 0.667 N 0.747 6 residues pruned to eliminate duplicates Z: 9 11.766 1.893 0.246 0.850 0.875 0.875 N 1.494 9 residues pruned to eliminate duplicates Z: 8 3.086 1.560 0.254 0.308 0.714 0.429 CB 1.033 Z: 7 7.123 1.435 0.477 0.817 1.000 0.833 CA 1.042 7 residues pruned to eliminate duplicates Z: 10 9.849 1.750 0.376 0.882 1.000 0.778 CA 0.987 10 residues pruned to eliminate duplicates Z: 6 5.450 1.585 0.112 0.839 1.000 0.800 CB 1.033 Z: 6 5.313 1.234 0.802 0.748 1.000 1.000 C 0.856 Z: 8 4.676 1.448 0.419 0.367 0.857 0.429 N 1.157 Z: 8 2.770 1.636 0.025 0.316 0.714 0.571 CB 1.071 Z: 17 12.756 1.555 0.501 0.780 0.875 0.750 CB 1.221 14 residues pruned to eliminate duplicates Z: 10 16.716 1.852 0.859 0.745 1.000 1.000 CB 1.300 10 residues pruned to eliminate duplicates Z: 15 19.746 1.807 0.893 0.769 0.929 0.571 CB 1.309 15 residues pruned to eliminate duplicates 7 1.959 1.301 0.428 0.249 0.667 0.333 CB 0.863 ? 8 1.676 1.405 -0.308 0.419 0.857 0.429 CB 0.827 ? Z: 7 4.886 1.427 0.206 0.836 0.833 0.667 CB 1.041 7 residues pruned to eliminate duplicates Z: 13 20.885 1.917 0.548 0.853 1.000 0.917 CB 1.502 13 residues pruned to eliminate duplicates Z: 13 10.990 1.706 0.696 0.928 1.000 0.917 CB 0.768 13 residues pruned to eliminate duplicates Z: 14 9.172 1.680 0.697 0.626 0.769 0.538 CB 1.031 6 residues pruned to eliminate duplicates Z: 10 7.950 1.961 0.351 0.572 0.778 0.556 CB 1.200 10 residues pruned to eliminate duplicates Z: 17 11.134 1.764 0.565 0.399 0.875 0.688 CB 1.282 10 residues pruned to eliminate duplicates Z: 6 2.456 1.644 0.359 0.316 0.600 0.600 CB 1.003 Z: 12 7.156 1.678 0.359 0.581 0.909 0.545 CB 0.963 12 residues pruned to eliminate duplicates Z: 10 6.095 1.950 0.108 0.605 0.889 0.778 CB 0.956 9 residues pruned to eliminate duplicates Z: 6 2.088 1.497 0.127 0.488 0.600 0.400 CB 0.933 5 residues pruned to eliminate duplicates Z: 12 7.784 1.581 0.511 0.815 1.000 0.909 CB 0.747 12 residues pruned to eliminate duplicates Z: 17 15.625 1.846 0.538 0.833 0.812 0.312 CB 1.270 17 residues pruned to eliminate duplicates Z: 17 17.752 1.827 0.670 0.650 1.000 0.875 CB 1.264 15 residues pruned to eliminate duplicates Z: 8 13.256 1.583 0.955 0.761 1.000 0.571 CA 1.283 7 residues pruned to eliminate duplicates Z: 7 2.157 1.361 0.310 0.372 0.667 0.333 N 0.850 Z: 15 10.871 1.635 0.265 0.799 0.929 0.857 CB 1.165 15 residues pruned to eliminate duplicates Z: 6 4.430 1.550 0.137 0.741 0.800 0.800 O 1.132 Z: 6 2.739 1.570 0.341 0.596 0.600 0.400 CB 0.885 Z: 10 11.495 1.638 0.819 0.633 1.000 0.889 CB 1.135 8 residues pruned to eliminate duplicates Z: 9 7.193 1.595 0.532 0.859 1.000 1.000 CB 0.766 9 residues pruned to eliminate duplicates Z: 12 11.557 1.767 0.495 0.840 1.000 0.909 CB 0.984 12 residues pruned to eliminate duplicates Z: 8 11.705 1.902 0.376 0.873 1.000 0.857 CB 1.232 8 residues pruned to eliminate duplicates Z: 9 9.952 1.800 0.338 0.842 1.000 1.000 CB 1.089 9 residues pruned to eliminate duplicates Z: 15 17.581 1.932 0.543 0.803 0.929 0.857 CB 1.303 15 residues pruned to eliminate duplicates Z: 6 2.674 1.224 0.220 0.529 1.000 0.400 N 0.778 Z: 13 4.502 1.593 0.500 0.447 0.750 0.417 CB 0.766 Z: 32 15.344 1.759 0.572 0.498 0.806 0.355 CB 1.238 32 residues pruned to eliminate duplicates Z: 14 9.860 1.694 0.101 0.847 1.000 0.769 CB 1.088 14 residues pruned to eliminate duplicates Z: 16 11.602 1.758 0.118 0.799 1.000 0.933 CB 1.173 14 residues pruned to eliminate duplicates Z: 12 8.128 1.711 0.356 0.530 0.818 0.636 CB 1.255 7 residues pruned to eliminate duplicates Z: 13 12.170 1.705 0.142 0.915 1.000 0.833 CB 1.275 13 residues pruned to eliminate duplicates Z: 14 13.655 1.759 0.883 0.802 0.923 0.846 CB 0.951 14 residues pruned to eliminate duplicates Z: 9 3.350 1.590 0.387 0.443 0.875 0.750 CB 0.651 9 residues pruned to eliminate duplicates 6 1.970 1.692 0.406 0.438 0.800 0.400 CB 0.493 ? Z: 11 7.769 1.457 0.723 0.800 1.000 0.600 CB 0.753 Z: 16 10.814 1.724 0.393 0.833 0.933 0.667 CB 0.935 16 residues pruned to eliminate duplicates Z: 10 9.617 1.949 0.137 0.836 1.000 0.667 CB 1.083 10 residues pruned to eliminate duplicates Z: 9 3.493 1.601 0.337 0.278 0.875 0.625 CB 0.848 9 residues pruned to eliminate duplicates Z: 12 10.117 1.737 0.815 0.885 1.000 0.727 CB 0.698 12 residues pruned to eliminate duplicates Z: 11 6.068 1.505 0.348 0.508 0.900 0.800 CB 1.043 11 residues pruned to eliminate duplicates Z: 6 2.435 1.258 0.153 0.480 0.800 0.600 CB 0.957 Z: 22 19.800 1.997 0.853 0.601 0.952 0.762 CB 1.113 22 residues pruned to eliminate duplicates 6 1.128 1.201 -0.032 0.382 0.800 0.400 CB 0.615 ? Z: 13 5.629 1.801 0.325 0.475 0.667 0.583 CB 1.048 13 residues pruned to eliminate duplicates Z: 8 5.761 1.092 1.047 0.807 1.000 0.571 O 0.746 Z: 8 10.474 1.613 0.750 0.679 1.000 0.857 CB 1.190 Z: 10 12.833 1.623 0.466 0.873 1.000 0.889 CB 1.309 9 residues pruned to eliminate duplicates Z: 18 9.458 1.600 0.579 0.421 0.765 0.471 CB 1.289 12 residues pruned to eliminate duplicates Z: 9 10.678 1.722 0.799 0.542 1.000 0.500 CB 1.170 8 residues pruned to eliminate duplicates Z: 38 17.739 1.810 0.656 0.475 0.865 0.649 CB 1.154 38 residues pruned to eliminate duplicates Z: 24 18.721 1.978 0.618 0.554 0.913 0.609 CB 1.268 24 residues pruned to eliminate duplicates Z: 6 6.385 1.411 0.469 0.871 1.000 1.000 N 1.004 6 residues pruned to eliminate duplicates Z: 11 3.437 1.697 0.340 0.247 0.700 0.400 CB 0.914 Z: 38 14.020 1.842 0.391 0.352 0.784 0.405 CB 1.347 41 residues pruned to eliminate duplicates 8 1.969 1.474 0.451 0.345 0.571 0.429 CB 0.721 ? Z: 8 10.031 1.746 0.472 0.708 0.857 0.714 N 1.425 8 residues pruned to eliminate duplicates Z: 7 14.410 1.905 1.093 0.706 1.000 1.000 CB 1.224 Z: 16 13.360 1.812 0.269 0.636 1.000 0.867 CB 1.321 16 residues pruned to eliminate duplicates Z: 8 9.928 1.869 0.654 0.626 1.000 0.857 CB 1.078 8 residues pruned to eliminate duplicates Z: 17 15.892 1.641 0.718 0.833 0.938 0.625 CB 1.127 22 residues pruned to eliminate duplicates Z: 13 18.130 1.954 0.616 0.793 1.000 0.833 CB 1.281 13 residues pruned to eliminate duplicates Z: 6 4.735 1.575 1.028 0.502 0.600 0.600 N 1.103 Z: 6 5.476 1.604 0.452 0.794 0.800 0.600 CB 1.016 6 residues pruned to eliminate duplicates Z: 7 8.599 1.702 0.590 0.630 1.000 0.333 CA 1.148 7 residues pruned to eliminate duplicates Z: 12 4.025 1.755 0.046 0.421 0.818 0.455 CB 0.877 Z: 9 5.177 1.549 0.144 0.551 0.875 0.625 O 1.123 9 residues pruned to eliminate duplicates 8 1.976 1.418 0.291 0.242 0.857 0.429 CB 0.642 ? Z: 9 4.498 1.595 0.056 0.573 0.750 0.500 N 1.174 9 residues pruned to eliminate duplicates Z: 7 4.889 1.630 0.399 0.662 0.833 0.667 CB 0.904 5 residues pruned to eliminate duplicates Z: 15 23.269 1.852 0.638 0.896 1.000 0.857 CB 1.470 15 residues pruned to eliminate duplicates Z: 7 3.077 1.740 0.308 0.286 0.833 0.500 CB 0.843 7 residues pruned to eliminate duplicates Z: 15 8.064 1.658 0.514 0.802 0.786 0.643 CB 0.839 15 residues pruned to eliminate duplicates Z: 16 10.775 1.767 0.624 0.407 0.867 0.667 CB 1.233 16 residues pruned to eliminate duplicates Z: 8 3.575 1.416 0.077 0.505 1.000 0.714 CB 0.882 Z: 13 6.557 1.601 0.153 0.584 1.000 0.667 CB 0.946 10 residues pruned to eliminate duplicates Z: 7 3.474 1.510 -0.053 0.538 0.833 0.500 N 1.146 Z: 6 8.160 1.764 1.181 0.430 0.800 0.400 CB 1.274 Z: 9 8.474 1.542 0.744 0.863 0.875 0.750 CB 0.934 Z: 18 6.034 1.759 0.239 0.289 0.824 0.412 CB 1.033 15 residues pruned to eliminate duplicates Z: 11 8.004 1.733 0.163 0.928 1.000 1.000 CB 0.880 11 residues pruned to eliminate duplicates Z: 8 3.534 1.682 0.083 0.623 1.000 0.571 CB 0.653 7 residues pruned to eliminate duplicates Z: 6 2.347 1.593 0.165 0.447 0.600 0.400 CB 0.995 Z: 13 14.803 1.777 0.797 0.546 0.917 0.583 CB 1.395 13 residues pruned to eliminate duplicates Z: 8 8.577 1.779 0.771 0.582 0.714 0.429 N 1.332 Z: 12 8.480 1.688 0.588 0.393 0.818 0.273 N 1.306 12 residues pruned to eliminate duplicates Z: 15 8.745 1.640 0.539 0.434 0.929 0.643 CB 1.068 30 residues pruned to eliminate duplicates Z: 12 7.486 1.665 0.476 0.545 0.636 0.545 N 1.381 9 residues pruned to eliminate duplicates Z: 10 7.440 1.785 0.415 0.597 0.889 0.889 CB 1.007 10 residues pruned to eliminate duplicates Z: 27 16.467 1.972 0.378 0.473 0.962 0.577 CB 1.270 28 residues pruned to eliminate duplicates Z: 37 16.532 1.800 0.472 0.535 0.889 0.528 CB 1.131 29 residues pruned to eliminate duplicates Z: 14 14.524 1.798 0.305 0.879 0.923 0.923 CA 1.349 14 residues pruned to eliminate duplicates Z: 6 3.087 1.433 0.385 0.297 0.800 0.600 CB 1.092 7 residues pruned to eliminate duplicates Z: 12 6.164 1.571 0.605 0.840 0.909 0.636 CB 0.605 Z: 8 3.814 1.688 -0.194 0.679 1.000 0.857 CB 0.900 Z: 9 6.550 1.569 0.692 0.454 0.750 0.375 CA 1.219 9 residues pruned to eliminate duplicates Z: 8 7.773 1.519 0.873 0.816 0.857 0.571 N 0.916 8 residues pruned to eliminate duplicates Z: 6 7.627 1.501 0.946 0.636 1.000 0.800 CB 1.028 Z: 8 3.129 1.513 0.365 0.269 0.571 0.286 CB 1.304 Z: 13 5.126 1.624 0.939 0.285 0.750 0.500 CB 0.798 Z: 8 6.117 1.352 0.503 0.517 1.000 0.714 O 1.118 Z: 10 6.572 1.148 0.884 0.683 0.889 0.556 CA 0.963 Z: 12 18.019 1.865 0.639 0.881 0.909 0.818 CB 1.415 12 residues pruned to eliminate duplicates Z: 14 10.268 1.655 0.350 0.810 0.923 0.846 CB 1.055 10 residues pruned to eliminate duplicates Z: 13 17.719 1.998 0.392 0.927 1.000 1.000 CB 1.289 13 residues pruned to eliminate duplicates Z: 8 3.239 1.494 0.499 0.618 1.000 0.571 CB 0.489 Z: 27 14.152 1.830 0.383 0.510 0.962 0.769 CB 1.130 27 residues pruned to eliminate duplicates Z: 41 17.700 1.881 0.562 0.372 0.900 0.550 CB 1.213 42 residues pruned to eliminate duplicates Z: 12 4.659 1.617 0.637 0.346 0.727 0.545 CB 0.863 8 residues pruned to eliminate duplicates Z: 12 14.077 1.825 0.626 0.881 1.000 0.909 CB 1.036 12 residues pruned to eliminate duplicates Z: 12 4.714 1.463 0.710 0.245 0.727 0.455 O 1.049 Z: 13 8.773 1.709 0.255 0.824 0.917 0.500 CB 0.973 13 residues pruned to eliminate duplicates Z: 9 10.088 1.690 0.540 0.846 1.000 0.750 CB 1.018 Z: 9 4.022 1.451 0.240 0.345 0.750 0.375 CB 1.247 9 1.369 1.466 0.023 0.182 0.500 0.250 CB 0.946 ? Z: 7 3.273 1.647 0.002 0.661 0.833 0.667 CB 0.837 Z: 9 12.959 1.667 0.632 0.813 1.000 0.875 CB 1.282 9 residues pruned to eliminate duplicates Z: 6 3.481 1.274 0.228 0.829 0.800 0.800 N 0.936 Z: 15 13.178 1.806 0.628 0.445 0.857 0.429 CB 1.478 12 residues pruned to eliminate duplicates Z: 10 7.451 1.818 0.386 0.551 0.889 0.556 CB 1.055 9 residues pruned to eliminate duplicates Z: 9 8.286 1.443 0.728 0.868 0.875 0.375 CB 0.981 9 residues pruned to eliminate duplicates Z: 21 6.640 1.665 0.367 0.233 0.850 0.450 CB 1.047 14 residues pruned to eliminate duplicates Z: 6 3.073 1.633 0.084 0.588 1.000 0.400 CB 0.713 6 residues pruned to eliminate duplicates Z: 12 15.291 1.969 0.592 0.815 0.909 0.909 CB 1.230 12 residues pruned to eliminate duplicates Z: 6 9.483 1.578 0.791 0.797 1.000 0.600 CB 1.157 Z: 13 4.957 1.474 0.476 0.303 0.833 0.333 CB 0.983 11 residues pruned to eliminate duplicates Z: 7 4.720 1.629 0.438 0.801 0.833 0.500 CB 0.758 7 residues pruned to eliminate duplicates Z: 8 2.905 1.690 0.044 0.655 0.857 0.857 CB 0.628 8 residues pruned to eliminate duplicates Z: 7 2.427 1.323 0.577 0.515 0.500 0.333 N 0.935 Z: 8 4.609 1.704 0.244 0.541 0.714 0.571 N 1.105 Z: 8 3.228 1.351 0.409 0.370 0.857 0.429 N 0.860 Z: 7 6.147 1.484 0.220 0.870 1.000 1.000 CA 1.011 7 residues pruned to eliminate duplicates Z: 6 2.573 1.306 -0.067 0.656 1.000 0.600 CB 0.817 Z: 10 4.739 1.518 0.335 0.494 0.778 0.556 CB 1.008 Z: 9 3.470 1.343 0.685 0.702 1.000 0.625 CB 0.451 8 residues pruned to eliminate duplicates Z: 10 7.637 1.783 0.625 0.599 0.778 0.667 CB 1.028 18 residues pruned to eliminate duplicates Z: 10 13.905 1.648 0.695 0.782 1.000 0.556 CA 1.293 10 residues pruned to eliminate duplicates Z: 7 4.225 1.607 0.224 0.672 0.833 0.500 CB 0.898 Z: 12 11.139 1.528 0.723 0.864 1.000 0.818 CB 0.935 12 residues pruned to eliminate duplicates Z: 7 3.469 1.379 0.820 0.406 0.833 0.833 N 0.747 Z: 11 7.840 1.451 0.278 0.911 1.000 1.000 CA 0.947 Z: 20 7.735 1.705 0.571 0.408 0.789 0.421 CB 0.925 20 residues pruned to eliminate duplicates Z: 10 5.658 1.754 0.408 0.328 0.889 0.444 CB 1.039 10 residues pruned to eliminate duplicates Z: 34 17.420 1.836 0.390 0.577 0.909 0.636 CB 1.213 34 residues pruned to eliminate duplicates Z: 6 4.198 1.608 0.337 0.290 0.800 0.600 N 1.382 6 residues pruned to eliminate duplicates Z: 18 17.139 1.844 0.784 0.556 1.000 0.765 CB 1.197 18 residues pruned to eliminate duplicates Z: 7 10.988 1.900 0.231 0.745 1.000 0.833 CB 1.541 7 residues pruned to eliminate duplicates Z: 16 5.744 1.595 0.324 0.297 0.800 0.333 CB 1.102 Z: 13 9.596 1.655 0.387 0.870 1.000 1.000 CB 0.881 13 residues pruned to eliminate duplicates Z: 25 14.558 1.760 0.430 0.477 0.958 0.583 CB 1.261 25 residues pruned to eliminate duplicates Z: 6 2.727 1.469 0.345 0.481 0.800 0.600 CB 0.786 Z: 8 3.069 1.491 -0.044 0.290 0.857 0.714 CB 1.202 Z: 7 5.957 1.607 0.542 0.373 0.833 0.667 O 1.350 8 residues pruned to eliminate duplicates Z: 15 17.881 1.893 0.599 0.907 0.929 0.643 CB 1.209 15 residues pruned to eliminate duplicates Z: 13 2.999 1.366 0.427 0.260 0.667 0.417 CB 0.876 5 residues pruned to eliminate duplicates Z: 6 3.243 1.416 0.252 0.382 0.800 0.600 CA 1.160 Z: 11 17.392 1.791 0.809 0.891 1.000 0.500 CB 1.220 10 residues pruned to eliminate duplicates Z: 6 5.662 1.682 0.297 0.663 1.000 0.400 CB 0.998 Z: 6 5.864 1.574 1.031 0.872 1.000 0.800 CB 0.598 Z: 6 4.471 1.483 0.022 0.847 1.000 0.800 N 0.979 Z: 9 6.348 1.453 0.850 0.511 0.875 0.500 CB 0.944 7 1.430 1.425 0.484 0.744 0.833 0.500 CB 0.266 ? Z: 6 2.740 1.532 0.980 0.489 0.800 0.800 CB 0.511 Z: 10 3.806 1.440 0.743 0.304 0.778 0.333 CB 0.808 Z: 7 3.468 1.433 0.075 0.526 1.000 0.333 CB 0.896 Z: 7 5.070 1.783 0.483 0.886 1.000 1.000 CB 0.565 5 residues pruned to eliminate duplicates Z: 7 13.944 1.779 1.060 0.750 1.000 0.667 CB 1.243 14 residues pruned to eliminate duplicates Z: 9 5.562 1.526 0.439 0.480 0.875 0.250 N 1.043 9 residues pruned to eliminate duplicates Z: 7 5.077 1.617 0.877 0.427 0.667 0.500 N 1.105 Z: 25 16.405 1.819 0.156 0.561 0.958 0.625 CB 1.566 41 residues pruned to eliminate duplicates Z: 6 3.556 1.670 0.185 0.315 0.800 0.600 CB 1.232 6 residues pruned to eliminate duplicates Z: 13 14.340 1.687 0.503 0.878 1.000 0.917 CB 1.185 13 residues pruned to eliminate duplicates Z: 11 8.403 1.880 0.309 0.763 1.000 0.900 CB 0.855 11 residues pruned to eliminate duplicates Z: 11 10.562 1.791 0.899 0.590 0.900 0.700 CB 1.001 9 residues pruned to eliminate duplicates Z: 6 2.822 1.481 0.495 0.283 0.800 0.400 CB 0.910 Z: 10 3.346 1.507 0.024 0.431 0.667 0.444 CB 1.163 Z: 6 6.276 1.702 0.473 0.774 0.800 0.400 CB 1.098 Z: 9 11.943 1.648 0.563 0.880 1.000 0.500 CB 1.188 9 residues pruned to eliminate duplicates Z: 17 11.621 1.576 0.498 0.794 0.875 0.812 CB 1.086 17 residues pruned to eliminate duplicates Z: 13 7.610 1.599 0.349 0.695 0.833 0.667 CB 1.023 13 residues pruned to eliminate duplicates Z: 11 6.291 1.499 0.539 0.374 0.900 0.600 CB 1.097 10 residues pruned to eliminate duplicates Z: 11 8.676 1.690 0.275 0.533 1.000 0.600 CB 1.233 8 residues pruned to eliminate duplicates Z: 9 6.863 1.697 0.751 0.671 0.875 0.750 CB 0.797 9 residues pruned to eliminate duplicates Z: 12 13.699 1.653 0.421 0.897 1.000 0.909 CB 1.259 12 residues pruned to eliminate duplicates Z: 10 6.147 1.473 0.536 0.490 0.889 0.667 CB 1.029 10 residues pruned to eliminate duplicates 6 1.420 1.519 -0.168 0.367 0.600 0.200 CB 0.966 ? 7 1.492 1.311 0.730 0.248 0.667 0.500 N 0.539 ? Z: 10 5.793 1.591 0.467 0.824 1.000 0.667 CB 0.625 6 residues pruned to eliminate duplicates Z: 6 3.760 1.708 -0.004 0.454 1.000 0.600 CB 1.036 6 residues pruned to eliminate duplicates Z: 7 4.902 1.477 0.928 0.597 0.833 0.667 CA 0.769 18 residues pruned to eliminate duplicates Z: 11 3.897 1.594 0.385 0.297 0.700 0.500 CB 1.001 Z: 8 5.800 1.558 0.319 0.561 0.857 0.429 CB 1.173 9 residues pruned to eliminate duplicates Z: 7 3.776 1.445 0.789 0.264 0.833 0.500 CB 0.937 Z: 14 8.226 1.554 0.547 0.363 0.846 0.692 CB 1.299 23 residues pruned to eliminate duplicates 9 1.588 1.142 0.127 0.297 1.000 0.500 O 0.547 ? Z: 7 8.060 1.643 0.459 0.714 1.000 0.500 CB 1.131 10 residues pruned to eliminate duplicates Z: 15 11.809 1.763 0.212 0.877 1.000 0.786 CB 1.073 15 residues pruned to eliminate duplicates Z: 9 5.075 1.687 0.218 0.534 0.875 0.875 CB 0.965 9 residues pruned to eliminate duplicates Z: 14 8.695 1.744 0.470 0.608 0.923 0.692 CB 0.920 13 residues pruned to eliminate duplicates Z: 10 3.949 1.677 0.442 0.356 0.889 0.556 CB 0.715 Z: 15 18.272 1.866 0.642 0.818 0.929 0.929 CB 1.302 15 residues pruned to eliminate duplicates Z: 6 3.457 1.559 0.841 0.100 0.800 0.400 N 1.122 6 1.473 1.414 0.374 0.687 0.800 0.800 CB 0.357 ? Z: 7 2.904 1.365 -0.206 0.610 1.000 0.500 CB 0.986 Z: 10 7.204 1.571 0.692 0.541 0.778 0.556 N 1.116 10 residues pruned to eliminate duplicates Z: 6 4.412 1.400 0.308 0.613 1.000 0.800 CB 0.969 6 residues pruned to eliminate duplicates Z: 17 13.313 1.624 0.703 0.609 0.938 0.812 CB 1.158 16 residues pruned to eliminate duplicates Z: 7 2.324 1.525 -0.052 0.519 0.833 0.500 CB 0.773 6 1.190 1.178 0.592 0.100 0.600 0.200 N 0.788 ? Z: 6 4.956 1.531 0.263 0.627 1.000 0.800 CB 1.017 Z: 11 7.684 1.536 0.311 0.736 0.800 0.500 CB 1.220 11 residues pruned to eliminate duplicates Z: 7 4.731 1.607 0.183 0.535 0.833 0.667 CA 1.178 Z: 6 2.162 1.238 0.577 0.297 0.800 0.600 C 0.777 Z: 8 4.180 1.329 0.536 0.310 0.857 0.429 O 1.115 8 1.614 1.222 0.713 0.190 0.714 0.429 CB 0.591 ? Z: 15 6.584 1.587 0.538 0.315 0.786 0.286 CB 1.126 15 residues pruned to eliminate duplicates Z: 18 15.857 1.774 0.466 0.764 1.000 0.765 CB 1.170 18 residues pruned to eliminate duplicates 8 1.662 1.238 0.458 0.366 0.714 0.429 CB 0.562 ? Z: 6 5.550 1.483 0.305 0.796 1.000 1.000 CB 0.989 Z: 23 10.803 1.707 0.404 0.398 0.864 0.682 CB 1.239 23 residues pruned to eliminate duplicates Z: 7 6.769 1.526 1.102 0.596 0.833 0.500 CA 0.943 5 residues pruned to eliminate duplicates Z: 14 13.452 1.647 0.399 0.866 0.923 0.846 N 1.284 14 residues pruned to eliminate duplicates Z: 7 2.515 1.493 0.585 0.330 0.667 0.500 CB 0.784 Z: 12 4.535 1.628 0.200 0.450 0.818 0.545 CB 0.901 12 residues pruned to eliminate duplicates Z: 6 3.793 1.332 0.795 0.678 0.800 0.800 N 0.753 Z: 6 3.580 1.744 -0.137 0.467 1.000 0.600 CB 1.100 Z: 8 3.829 1.722 0.145 0.167 1.000 0.571 CB 1.100 8 residues pruned to eliminate duplicates Z: 11 2.517 1.661 -0.034 0.217 0.800 0.500 CB 0.864 7 residues pruned to eliminate duplicates Z: 10 10.028 1.628 0.567 0.752 0.889 0.556 CB 1.178 10 residues pruned to eliminate duplicates Z: 14 10.050 1.783 0.385 0.729 0.923 0.769 CB 0.995 14 residues pruned to eliminate duplicates Z: 13 5.973 1.361 0.696 0.690 0.667 0.500 CB 0.942 13 residues pruned to eliminate duplicates Z: 7 5.772 1.475 0.478 0.514 0.833 0.500 CB 1.278 Z: 15 20.530 1.940 0.501 0.810 1.000 0.643 CB 1.439 15 residues pruned to eliminate duplicates Z: 8 2.429 1.460 0.128 0.338 0.857 0.429 N 0.776 Z: 15 13.470 1.723 0.371 0.740 0.929 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 9 5.189 1.629 0.380 0.442 1.000 0.375 CB 0.866 6 1.536 1.481 0.477 0.479 0.800 0.800 CB 0.401 ? Z: 7 4.815 1.538 -0.013 0.757 1.000 0.833 O 1.030 7 residues pruned to eliminate duplicates Z: 7 3.455 1.153 0.250 0.632 1.000 0.500 N 0.865 Z: 9 5.999 1.559 0.847 0.349 0.750 0.500 CA 1.157 9 residues pruned to eliminate duplicates Z: 7 4.162 1.348 0.297 0.572 1.000 0.667 CB 0.906 Z: 15 10.307 1.668 0.445 0.783 1.000 0.643 CB 0.891 15 residues pruned to eliminate duplicates 6 1.454 1.390 0.646 0.100 0.400 0.200 O 1.185 ? 6 1.136 1.194 0.070 0.298 0.600 0.600 N 0.831 ? Z: 6 3.591 1.486 0.794 0.294 0.600 0.600 O 1.263 6 1.741 1.259 -0.164 0.339 1.000 0.600 CB 0.881 ? 8 1.680 1.301 0.660 0.212 0.571 0.571 N 0.723 ? Z: 6 2.864 1.289 0.033 0.535 1.000 0.800 C 0.930 Using tripeptides from previous cycle as seeds Z: 21 6.781 1.551 0.466 0.363 0.800 0.400 CB 0.966 21 residues pruned to eliminate duplicates Z: 7 11.677 1.880 0.628 0.684 1.000 0.667 CB 1.316 7 residues pruned to eliminate duplicates Z: 9 9.169 1.731 0.702 0.514 1.000 0.625 CB 1.085 9 residues pruned to eliminate duplicates Z: 8 9.307 1.815 0.825 0.567 1.000 0.714 CB 0.995 8 residues pruned to eliminate duplicates Z: 7 10.949 1.889 0.821 0.640 0.833 0.833 CB 1.367 7 residues pruned to eliminate duplicates Z: 10 5.893 1.447 0.405 0.692 0.778 0.556 N 1.042 8 residues pruned to eliminate duplicates Z: 8 6.740 1.532 0.081 0.864 0.857 0.857 CB 1.317 8 residues pruned to eliminate duplicates Z: 12 5.945 1.539 0.435 0.534 0.818 0.545 CB 0.960 10 residues pruned to eliminate duplicates Z: 8 6.816 1.555 0.292 0.743 0.857 0.571 CB 1.204 9 residues pruned to eliminate duplicates Z: 9 6.224 1.443 0.167 0.776 0.875 0.750 CB 1.170 9 residues pruned to eliminate duplicates Z: 7 8.766 1.681 0.910 0.519 1.000 0.667 CB 1.094 Z: 9 3.059 1.439 0.938 0.524 0.875 0.500 CB 0.433 9 residues pruned to eliminate duplicates Z: 12 9.268 1.609 0.854 0.446 0.909 0.455 CB 1.089 6 residues pruned to eliminate duplicates Z: 6 3.739 1.323 0.619 0.482 1.000 0.800 CA 0.794 Z: 7 5.849 1.555 0.736 0.589 0.833 0.667 CB 0.975 6 residues pruned to eliminate duplicates Z: 14 6.093 1.395 0.203 0.438 0.923 0.385 N 1.162 Z: 6 3.110 1.139 0.563 0.395 1.000 0.800 CB 0.872 Z: 11 17.175 1.834 0.715 0.757 1.000 0.700 CB 1.374 8 residues pruned to eliminate duplicates Z: 9 13.023 1.684 0.657 0.754 1.000 0.875 N 1.315 9 residues pruned to eliminate duplicates Z: 11 9.510 1.758 0.337 0.698 0.900 0.700 CB 1.186 11 residues pruned to eliminate duplicates Z: 9 11.824 1.851 0.289 0.757 1.000 0.625 CB 1.393 9 residues pruned to eliminate duplicates Z: 13 12.428 1.863 0.467 0.678 0.833 0.583 CB 1.337 13 residues pruned to eliminate duplicates Z: 29 17.223 1.833 0.679 0.627 0.893 0.714 CB 1.051 39 residues pruned to eliminate duplicates Z: 16 13.404 1.654 0.600 0.797 0.933 0.733 CB 1.081 16 residues pruned to eliminate duplicates Z: 13 15.494 1.799 0.918 0.815 0.833 0.583 CB 1.183 13 residues pruned to eliminate duplicates Z: 14 12.625 1.720 0.637 0.752 0.846 0.462 CB 1.174 14 residues pruned to eliminate duplicates Z: 16 18.983 1.821 0.701 0.807 1.000 0.733 CB 1.211 16 residues pruned to eliminate duplicates Z: 16 10.283 1.814 0.505 0.725 0.933 0.733 CB 0.851 16 residues pruned to eliminate duplicates Z: 12 12.535 1.833 0.813 0.715 0.909 0.636 CB 1.030 12 residues pruned to eliminate duplicates Z: 13 15.380 1.739 0.887 0.747 1.000 0.500 CB 1.085 13 residues pruned to eliminate duplicates Z: 12 21.297 1.860 1.042 0.834 0.909 0.727 CB 1.394 12 residues pruned to eliminate duplicates Z: 18 12.947 1.616 0.962 0.631 0.824 0.706 CB 1.063 18 residues pruned to eliminate duplicates Z: 6 3.335 1.493 0.295 0.406 0.800 0.600 CA 1.064 Z: 7 6.378 1.594 0.666 0.520 0.833 0.500 N 1.153 8 residues pruned to eliminate duplicates Z: 8 4.321 1.618 0.316 0.455 0.857 0.429 CB 0.937 Z: 6 6.915 1.532 0.875 0.448 1.000 0.600 CB 1.136 Z: 7 10.135 1.673 0.648 0.652 1.000 0.667 CA 1.303 7 residues pruned to eliminate duplicates Z: 6 9.360 1.586 0.914 0.653 1.000 0.400 N 1.195 6 residues pruned to eliminate duplicates Z: 8 9.985 1.707 0.991 0.483 0.857 0.286 CA 1.319 13 residues pruned to eliminate duplicates Z: 6 5.714 1.836 0.442 0.265 1.000 0.600 CA 1.261 6 residues pruned to eliminate duplicates Z: 8 10.605 1.822 0.706 0.719 1.000 0.571 CB 1.058 9 residues pruned to eliminate duplicates Z: 7 2.288 1.076 0.639 0.407 1.000 0.667 N 0.584 7 residues pruned to eliminate duplicates Z: 15 14.827 1.765 0.688 0.687 1.000 0.714 CB 1.120 12 residues pruned to eliminate duplicates Z: 14 20.810 1.843 0.624 0.857 1.000 0.923 CB 1.421 14 residues pruned to eliminate duplicates Z: 20 18.668 1.859 0.658 0.665 0.947 0.842 CB 1.259 20 residues pruned to eliminate duplicates Z: 14 22.578 1.949 0.761 0.809 0.923 0.846 CB 1.510 14 residues pruned to eliminate duplicates Z: 26 16.221 1.796 0.411 0.708 1.000 0.520 CB 1.059 26 residues pruned to eliminate duplicates Z: 13 21.443 1.942 0.827 0.818 0.917 0.833 CB 1.444 13 residues pruned to eliminate duplicates Z: 13 19.667 1.925 0.594 0.791 1.000 0.833 CB 1.433 13 residues pruned to eliminate duplicates Z: 24 19.184 1.814 0.499 0.744 0.957 0.652 CB 1.237 24 residues pruned to eliminate duplicates Z: 23 20.517 1.881 0.560 0.691 0.955 0.636 CB 1.312 38 residues pruned to eliminate duplicates Z: 18 18.336 1.864 0.598 0.653 0.882 0.647 CB 1.467 5 residues pruned to eliminate duplicates Z: 26 21.153 1.829 0.694 0.717 0.920 0.600 CB 1.220 46 residues pruned to eliminate duplicates Z: 25 20.311 1.875 0.656 0.723 0.958 0.625 CB 1.139 25 residues pruned to eliminate duplicates Z: 16 19.714 1.753 0.621 0.891 0.933 0.933 CB 1.379 Z: 13 21.210 1.955 0.508 0.890 0.917 0.833 CB 1.630 14 residues pruned to eliminate duplicates Z: 15 19.388 1.842 0.476 0.853 1.000 0.857 CB 1.409 14 residues pruned to eliminate duplicates Z: 7 11.944 1.773 0.589 0.789 1.000 0.333 CB 1.343 7 residues pruned to eliminate duplicates Z: 15 19.899 1.962 1.008 0.606 1.000 0.571 CB 1.220 15 residues pruned to eliminate duplicates Z: 15 22.333 2.057 0.949 0.663 0.929 0.786 CB 1.379 15 residues pruned to eliminate duplicates Z: 16 19.772 1.930 0.933 0.648 1.000 0.867 CB 1.191 16 residues pruned to eliminate duplicates Z: 15 22.798 2.006 1.097 0.638 1.000 0.857 CB 1.272 15 residues pruned to eliminate duplicates Z: 15 25.029 2.053 1.116 0.693 1.000 0.857 CB 1.291 15 residues pruned to eliminate duplicates Z: 6 3.739 1.404 0.763 0.295 0.800 0.600 CA 1.063 Z: 6 6.104 1.446 1.419 0.404 1.000 0.600 CA 0.863 Z: 6 6.498 1.391 0.986 0.469 1.000 0.400 CB 1.086 6 residues pruned to eliminate duplicates Z: 18 7.171 1.676 0.347 0.341 0.882 0.529 CB 1.038 18 residues pruned to eliminate duplicates Z: 14 8.931 1.923 0.232 0.435 1.000 0.692 CB 1.118 14 residues pruned to eliminate duplicates Z: 17 5.553 1.773 0.056 0.361 0.938 0.500 CB 0.918 17 residues pruned to eliminate duplicates Z: 13 6.137 1.909 0.097 0.338 0.917 0.583 CB 1.101 13 residues pruned to eliminate duplicates Z: 28 22.006 1.928 0.520 0.629 0.963 0.704 CB 1.329 28 residues pruned to eliminate duplicates Z: 24 17.576 1.873 0.496 0.553 0.913 0.652 CB 1.360 24 residues pruned to eliminate duplicates Z: 47 24.386 1.973 0.455 0.510 0.913 0.543 CB 1.358 47 residues pruned to eliminate duplicates Z: 30 16.982 1.943 0.453 0.464 0.897 0.690 CB 1.292 30 residues pruned to eliminate duplicates Z: 20 13.080 1.932 0.371 0.492 0.895 0.789 CB 1.277 20 residues pruned to eliminate duplicates Z: 22 18.486 1.871 0.684 0.556 0.905 0.762 CB 1.341 22 residues pruned to eliminate duplicates Z: 41 30.337 1.925 0.761 0.667 0.950 0.750 CB 1.276 46 residues pruned to eliminate duplicates Z: 14 21.985 1.887 0.730 0.851 0.923 0.538 CB 1.498 14 residues pruned to eliminate duplicates Z: 36 19.612 1.818 0.564 0.490 0.886 0.629 CB 1.330 36 residues pruned to eliminate duplicates Z: 31 22.674 1.981 0.520 0.558 0.967 0.767 CB 1.344 31 residues pruned to eliminate duplicates Z: 26 20.247 1.946 0.461 0.622 1.000 0.800 CB 1.269 26 residues pruned to eliminate duplicates Z: 32 17.890 1.941 0.407 0.498 0.903 0.581 CB 1.305 32 residues pruned to eliminate duplicates Z: 33 19.614 1.912 0.566 0.537 0.906 0.719 CB 1.232 33 residues pruned to eliminate duplicates Z: 28 20.200 1.940 0.489 0.585 0.963 0.704 CB 1.288 28 residues pruned to eliminate duplicates Z: 12 5.205 1.747 0.374 0.145 0.818 0.182 CB 1.239 12 residues pruned to eliminate duplicates Z: 46 24.243 1.973 0.502 0.506 0.933 0.689 CB 1.298 46 residues pruned to eliminate duplicates Z: 33 22.162 1.944 0.527 0.533 0.938 0.625 CB 1.363 33 residues pruned to eliminate duplicates Z: 13 4.222 1.750 0.561 0.161 0.583 0.333 CB 1.157 13 residues pruned to eliminate duplicates Z: 33 19.014 1.934 0.453 0.497 0.906 0.625 CB 1.324 33 residues pruned to eliminate duplicates Z: 46 18.691 1.895 0.436 0.438 0.867 0.578 CB 1.260 46 residues pruned to eliminate duplicates Z: 18 7.250 1.829 0.193 0.250 0.824 0.294 CB 1.305 18 residues pruned to eliminate duplicates Z: 19 6.613 1.768 0.312 0.226 0.778 0.222 CB 1.190 19 residues pruned to eliminate duplicates Z: 34 14.592 1.884 0.433 0.478 0.879 0.515 CB 1.095 34 residues pruned to eliminate duplicates Z: 7 4.188 1.650 0.323 0.561 0.833 0.667 CB 0.886 7 residues pruned to eliminate duplicates 6 0.686 1.791 0.228 0.165 0.200 0.200 CB 1.048 ? Z: 9 4.973 1.915 0.672 0.257 0.500 0.250 CB 1.450 9 residues pruned to eliminate duplicates Z: 17 8.721 1.855 0.641 0.349 0.750 0.500 CB 1.125 17 residues pruned to eliminate duplicates Z: 9 3.697 1.895 0.055 0.288 0.625 0.125 CB 1.327 9 residues pruned to eliminate duplicates Z: 9 12.287 1.874 0.413 0.720 1.000 0.750 CB 1.344 9 residues pruned to eliminate duplicates Z: 16 15.904 1.864 0.991 0.508 0.933 0.667 CB 1.176 16 residues pruned to eliminate duplicates Z: 6 10.614 1.887 0.596 0.606 1.000 0.600 CB 1.426 6 residues pruned to eliminate duplicates Z: 14 10.114 1.824 0.771 0.494 0.846 0.615 CB 1.033 14 residues pruned to eliminate duplicates Z: 17 13.212 1.845 1.033 0.506 0.875 0.562 CB 1.000 17 residues pruned to eliminate duplicates Z: 17 13.787 1.759 0.821 0.497 0.938 0.688 CB 1.152 18 residues pruned to eliminate duplicates Z: 6 6.265 1.543 0.977 0.413 0.800 0.800 N 1.257 6 residues pruned to eliminate duplicates Z: 17 11.998 1.872 0.703 0.395 0.938 0.562 CB 1.122 17 residues pruned to eliminate duplicates Z: 17 5.250 1.540 0.245 0.309 0.812 0.312 CB 1.042 3 residues pruned to eliminate duplicates Z: 7 2.735 1.353 0.331 0.463 0.833 0.167 CB 0.772 7 residues pruned to eliminate duplicates Z: 22 7.976 1.534 0.351 0.443 0.905 0.619 CB 0.984 49 residues pruned to eliminate duplicates Z: 10 13.030 1.699 0.367 0.788 1.000 0.778 CB 1.452 11 residues pruned to eliminate duplicates Z: 10 7.518 1.458 0.341 0.680 0.889 0.556 O 1.222 10 residues pruned to eliminate duplicates Z: 20 11.615 1.583 0.649 0.517 0.895 0.737 CB 1.123 11 residues pruned to eliminate duplicates Z: 9 7.843 1.511 0.589 0.790 0.875 0.875 O 1.023 9 residues pruned to eliminate duplicates Z: 11 11.747 1.711 0.490 0.720 0.800 0.700 N 1.493 11 residues pruned to eliminate duplicates Z: 9 8.783 1.494 0.729 0.650 0.875 0.750 CB 1.195 9 residues pruned to eliminate duplicates Z: 14 7.383 1.648 0.312 0.507 0.846 0.692 CB 1.111 14 residues pruned to eliminate duplicates Z: 18 11.243 1.510 0.592 0.682 0.941 0.529 CB 1.020 15 residues pruned to eliminate duplicates Z: 10 11.798 1.697 0.919 0.800 0.889 0.667 CB 1.045 10 residues pruned to eliminate duplicates Z: 13 9.039 1.693 0.504 0.587 0.833 0.583 CB 1.132 13 residues pruned to eliminate duplicates Z: 11 11.867 1.832 0.657 0.718 1.000 0.600 CB 1.015 11 residues pruned to eliminate duplicates Z: 8 3.442 1.623 0.669 0.402 0.714 0.429 CB 0.745 8 residues pruned to eliminate duplicates Z: 21 7.979 1.655 0.490 0.400 0.650 0.500 CB 1.236 21 residues pruned to eliminate duplicates Z: 12 4.017 1.717 0.536 0.390 0.636 0.545 CB 0.811 12 residues pruned to eliminate duplicates Z: 11 7.085 1.742 0.774 0.445 0.800 0.600 CB 0.959 11 residues pruned to eliminate duplicates Z: 11 7.422 1.646 0.631 0.556 0.900 0.700 CB 0.920 11 residues pruned to eliminate duplicates Z: 7 7.360 1.545 0.952 0.560 1.000 0.833 CB 0.940 7 residues pruned to eliminate duplicates Z: 8 8.157 1.777 0.539 0.528 0.857 0.429 N 1.280 6 residues pruned to eliminate duplicates Z: 7 12.360 1.792 1.021 0.510 1.000 0.500 N 1.380 7 residues pruned to eliminate duplicates Z: 6 10.631 1.840 0.907 0.610 1.000 0.200 N 1.221 6 residues pruned to eliminate duplicates Z: 7 10.865 1.952 0.793 0.593 0.833 0.500 N 1.391 7 residues pruned to eliminate duplicates Z: 6 5.464 1.434 1.019 0.607 0.800 0.200 N 0.953 6 residues pruned to eliminate duplicates Z: 7 12.631 1.683 0.854 0.783 1.000 0.833 CA 1.288 7 residues pruned to eliminate duplicates Z: 17 7.940 1.438 0.271 0.765 0.938 0.812 CB 0.916 10 residues pruned to eliminate duplicates Z: 13 10.882 1.630 0.637 0.849 1.000 0.750 CB 0.873 13 residues pruned to eliminate duplicates Z: 9 5.190 1.625 0.342 0.879 1.000 0.875 CB 0.610 9 residues pruned to eliminate duplicates Z: 12 6.269 1.562 0.467 0.585 1.000 0.455 CB 0.760 13 residues pruned to eliminate duplicates Z: 9 8.205 1.600 0.486 0.821 1.000 0.875 CB 0.923 9 residues pruned to eliminate duplicates Z: 6 5.207 1.517 0.695 0.793 1.000 0.800 CB 0.701 6 residues pruned to eliminate duplicates Z: 18 12.920 1.557 0.645 0.627 1.000 0.647 CB 1.085 20 residues pruned to eliminate duplicates Z: 12 10.882 1.492 0.602 0.900 1.000 0.636 CB 0.981 12 residues pruned to eliminate duplicates Z: 15 11.507 1.645 0.336 0.674 1.000 0.643 CB 1.192 15 residues pruned to eliminate duplicates Z: 16 10.668 1.592 0.672 0.679 0.867 0.533 CB 1.013 16 residues pruned to eliminate duplicates Z: 10 8.998 1.599 0.697 0.728 0.889 0.556 CB 1.013 10 residues pruned to eliminate duplicates Z: 16 8.182 1.650 0.457 0.485 0.867 0.533 CB 1.029 16 residues pruned to eliminate duplicates Z: 23 11.116 1.635 0.422 0.544 0.955 0.364 CB 1.022 23 residues pruned to eliminate duplicates Z: 19 10.511 1.673 0.545 0.505 0.889 0.556 CB 1.074 17 residues pruned to eliminate duplicates 6 1.750 1.059 0.354 0.290 1.000 0.800 N 0.691 ? Z: 7 3.845 1.311 0.189 0.440 1.000 0.500 CB 1.071 Z: 7 6.773 1.749 0.200 0.643 0.833 0.500 CB 1.384 6 residues pruned to eliminate duplicates Z: 7 6.618 1.733 0.186 0.668 0.833 0.500 CB 1.351 7 residues pruned to eliminate duplicates Z: 11 6.587 1.652 0.241 0.471 0.900 0.700 CB 1.163 7 residues pruned to eliminate duplicates Z: 8 6.997 1.739 0.332 0.599 0.714 0.429 N 1.454 8 residues pruned to eliminate duplicates Z: 10 7.858 1.717 0.250 0.523 1.000 0.222 CB 1.193 11 residues pruned to eliminate duplicates Z: 6 4.642 1.502 0.495 0.408 0.800 0.400 CA 1.273 6 residues pruned to eliminate duplicates Z: 14 7.747 1.670 0.600 0.393 0.769 0.462 CB 1.170 12 residues pruned to eliminate duplicates Z: 15 14.410 1.824 0.422 0.819 1.000 0.643 CB 1.126 21 residues pruned to eliminate duplicates Z: 10 16.209 1.875 0.595 0.870 0.889 0.667 CB 1.483 10 residues pruned to eliminate duplicates Z: 19 12.539 1.827 0.691 0.565 0.833 0.611 CB 1.077 19 residues pruned to eliminate duplicates Z: 17 15.369 1.923 0.384 0.716 0.938 0.688 CB 1.267 17 residues pruned to eliminate duplicates Z: 9 13.804 1.836 0.751 0.791 0.875 0.625 CB 1.343 9 residues pruned to eliminate duplicates Z: 9 13.813 1.864 0.397 0.915 1.000 0.750 CB 1.325 9 residues pruned to eliminate duplicates Z: 11 8.574 1.866 0.453 0.711 0.900 0.900 CB 0.917 11 residues pruned to eliminate duplicates Z: 14 10.232 1.701 0.433 0.641 0.846 0.538 CB 1.206 14 residues pruned to eliminate duplicates Z: 14 14.752 2.003 0.267 0.798 0.923 0.923 CB 1.346 14 residues pruned to eliminate duplicates Z: 10 14.941 1.921 0.570 0.654 1.000 0.556 CB 1.431 10 residues pruned to eliminate duplicates Z: 11 19.366 2.057 0.621 0.923 1.000 0.800 CB 1.291 11 residues pruned to eliminate duplicates Z: 14 16.643 1.979 0.792 0.732 0.923 0.692 CB 1.145 14 residues pruned to eliminate duplicates Z: 15 15.991 1.957 0.659 0.673 0.857 0.714 CB 1.309 15 residues pruned to eliminate duplicates Z: 12 6.040 1.709 0.538 0.290 0.818 0.364 CB 1.073 6 residues pruned to eliminate duplicates Z: 15 15.453 1.905 0.293 0.876 1.000 0.857 CB 1.218 15 residues pruned to eliminate duplicates Z: 14 20.093 1.962 0.380 0.889 1.000 0.769 CB 1.482 20 residues pruned to eliminate duplicates Z: 13 16.629 1.703 0.741 0.849 1.000 0.917 CB 1.200 13 residues pruned to eliminate duplicates Z: 13 14.565 1.709 0.532 0.864 1.000 0.833 CB 1.178 13 residues pruned to eliminate duplicates Z: 9 7.254 1.611 0.717 0.616 0.750 0.500 CB 1.108 9 residues pruned to eliminate duplicates Z: 13 13.546 1.615 0.524 0.845 0.917 0.750 CB 1.288 13 residues pruned to eliminate duplicates Z: 9 12.040 1.701 0.580 0.893 0.875 0.875 CB 1.300 9 residues pruned to eliminate duplicates Z: 11 14.043 1.667 0.522 0.865 1.000 1.000 CB 1.282 11 residues pruned to eliminate duplicates Z: 15 12.321 1.630 0.625 0.716 0.929 0.714 CB 1.101 15 residues pruned to eliminate duplicates Z: 13 17.544 1.698 0.906 0.807 1.000 0.583 CB 1.198 13 residues pruned to eliminate duplicates Z: 13 13.726 1.673 0.819 0.803 0.917 0.833 CB 1.090 13 residues pruned to eliminate duplicates Z: 14 12.765 1.615 0.549 0.760 0.923 0.769 CB 1.218 14 residues pruned to eliminate duplicates Z: 16 11.381 1.595 0.590 0.711 0.933 0.867 CB 1.025 16 residues pruned to eliminate duplicates Z: 8 3.262 1.339 0.511 0.449 0.857 0.429 CB 0.749 7 residues pruned to eliminate duplicates Z: 12 7.458 1.654 0.355 0.559 0.909 0.545 CB 1.042 15 residues pruned to eliminate duplicates Z: 8 5.904 1.424 0.512 0.622 0.857 0.429 CB 1.077 8 residues pruned to eliminate duplicates Z: 11 5.652 1.549 0.532 0.546 0.900 0.500 CB 0.799 11 residues pruned to eliminate duplicates Z: 9 4.989 1.825 0.267 0.291 0.875 0.500 CB 1.101 9 residues pruned to eliminate duplicates Z: 10 3.613 1.796 0.486 0.318 0.556 0.444 CB 0.993 9 residues pruned to eliminate duplicates 6 1.362 1.707 -0.135 0.284 0.800 0.800 CB 0.658 ? Z: 10 10.403 1.815 0.274 0.580 0.889 0.444 CA 1.562 15 residues pruned to eliminate duplicates Z: 9 12.191 1.791 0.758 0.669 0.875 0.500 N 1.338 9 residues pruned to eliminate duplicates Z: 10 9.055 1.738 0.631 0.541 0.778 0.444 N 1.315 10 residues pruned to eliminate duplicates Z: 9 9.532 1.764 0.882 0.577 0.750 0.375 N 1.256 9 residues pruned to eliminate duplicates Z: 11 10.996 1.843 0.493 0.577 0.800 0.500 N 1.466 11 residues pruned to eliminate duplicates Z: 10 6.823 1.670 0.494 0.450 0.778 0.444 N 1.234 10 residues pruned to eliminate duplicates Z: 10 8.756 1.746 0.300 0.614 0.889 0.333 CB 1.298 10 residues pruned to eliminate duplicates Z: 28 17.945 1.863 0.523 0.651 0.852 0.519 CB 1.242 28 residues pruned to eliminate duplicates Z: 23 14.041 1.815 0.638 0.656 0.818 0.545 CB 1.064 23 residues pruned to eliminate duplicates Z: 32 20.689 1.807 0.571 0.632 0.935 0.581 CB 1.236 33 residues pruned to eliminate duplicates Z: 17 17.011 1.900 0.774 0.714 0.875 0.375 CB 1.187 17 residues pruned to eliminate duplicates Z: 17 12.041 1.820 0.734 0.633 0.750 0.562 CB 1.123 17 residues pruned to eliminate duplicates Z: 37 17.825 1.792 0.542 0.502 0.833 0.528 CB 1.287 37 residues pruned to eliminate duplicates Z: 26 16.364 1.765 0.604 0.546 0.880 0.440 CB 1.256 26 residues pruned to eliminate duplicates Z: 32 21.185 1.835 0.555 0.607 0.903 0.548 CB 1.334 32 residues pruned to eliminate duplicates Z: 17 15.665 1.692 0.770 0.661 0.875 0.438 CB 1.287 17 residues pruned to eliminate duplicates Z: 33 18.305 1.776 0.535 0.640 0.906 0.531 CB 1.149 32 residues pruned to eliminate duplicates Z: 12 14.513 1.916 0.553 0.786 0.818 0.818 CB 1.398 12 residues pruned to eliminate duplicates Z: 13 15.310 1.838 0.589 0.669 1.000 0.667 CB 1.294 13 residues pruned to eliminate duplicates Z: 15 13.964 1.862 0.516 0.712 1.000 0.571 CB 1.090 15 residues pruned to eliminate duplicates Z: 23 15.231 1.815 0.645 0.676 0.909 0.727 CB 1.017 23 residues pruned to eliminate duplicates Z: 9 7.107 1.645 0.391 0.573 0.875 0.625 CB 1.170 9 residues pruned to eliminate duplicates Z: 31 19.918 1.815 0.638 0.637 0.900 0.733 CB 1.196 31 residues pruned to eliminate duplicates Z: 26 16.692 1.783 0.568 0.567 0.960 0.560 CB 1.166 25 residues pruned to eliminate duplicates Z: 32 15.713 1.716 0.425 0.558 0.935 0.419 CB 1.166 32 residues pruned to eliminate duplicates Z: 37 16.658 1.765 0.358 0.559 0.944 0.556 CB 1.158 37 residues pruned to eliminate duplicates Z: 43 16.663 1.736 0.328 0.508 0.881 0.476 CB 1.256 43 residues pruned to eliminate duplicates Z: 9 6.001 1.744 0.087 0.566 1.000 0.625 CB 1.050 9 residues pruned to eliminate duplicates Z: 9 6.834 1.751 0.188 0.598 1.000 0.750 CB 1.058 9 residues pruned to eliminate duplicates Z: 9 6.731 1.740 0.020 0.617 0.875 0.625 CB 1.372 9 residues pruned to eliminate duplicates Z: 9 7.118 1.768 0.103 0.597 0.875 0.625 N 1.343 9 residues pruned to eliminate duplicates Z: 11 8.121 1.679 0.166 0.655 0.900 0.600 O 1.262 11 residues pruned to eliminate duplicates Z: 10 7.262 1.709 0.155 0.625 0.889 0.667 CB 1.226 10 residues pruned to eliminate duplicates Z: 11 6.460 1.618 0.285 0.523 0.900 0.700 N 1.066 11 residues pruned to eliminate duplicates Z: 10 8.333 1.693 0.157 0.580 1.000 0.667 O 1.313 10 residues pruned to eliminate duplicates 6 1.605 1.523 0.096 0.192 0.600 0.600 N 1.036 ? Z: 9 10.429 1.903 0.430 0.633 1.000 0.875 CB 1.196 9 residues pruned to eliminate duplicates Z: 17 8.471 1.819 0.652 0.333 0.812 0.562 CB 1.042 13 residues pruned to eliminate duplicates 6 1.993 1.704 0.126 0.324 0.800 0.200 CB 0.705 ? Z: 9 9.437 1.489 0.945 0.891 1.000 0.750 CB 0.828 9 residues pruned to eliminate duplicates Z: 11 6.762 1.446 0.687 0.809 0.900 0.700 CB 0.744 11 residues pruned to eliminate duplicates Z: 7 6.653 1.615 0.503 0.719 0.833 0.833 CB 1.102 7 residues pruned to eliminate duplicates Z: 8 6.699 1.487 0.745 0.701 1.000 0.571 CB 0.812 8 residues pruned to eliminate duplicates Z: 11 6.960 1.451 0.507 0.749 1.000 0.600 CB 0.806 11 residues pruned to eliminate duplicates Z: 7 3.421 1.209 0.646 0.793 1.000 0.833 CB 0.543 7 residues pruned to eliminate duplicates Z: 8 5.623 1.354 0.956 0.672 0.857 0.429 CB 0.799 8 residues pruned to eliminate duplicates Z: 9 9.327 1.958 0.546 0.363 1.000 0.500 CB 1.263 15 residues pruned to eliminate duplicates Z: 6 9.594 1.822 0.392 0.775 1.000 0.600 CA 1.326 6 residues pruned to eliminate duplicates Z: 8 6.536 1.948 0.469 0.393 1.000 0.429 CB 0.967 8 residues pruned to eliminate duplicates Z: 10 4.956 1.825 0.370 0.159 0.889 0.444 CB 1.129 9 residues pruned to eliminate duplicates Z: 8 13.649 1.902 0.774 0.657 0.857 0.571 CA 1.542 9 residues pruned to eliminate duplicates Z: 7 12.120 1.879 0.721 0.625 1.000 0.500 CA 1.361 7 residues pruned to eliminate duplicates Z: 26 20.340 1.951 0.500 0.636 0.880 0.720 CB 1.390 26 residues pruned to eliminate duplicates Z: 22 10.674 1.829 0.259 0.431 0.905 0.619 CB 1.200 21 residues pruned to eliminate duplicates Z: 7 6.125 1.678 0.263 0.598 1.000 0.333 CA 1.075 7 residues pruned to eliminate duplicates Z: 38 21.664 1.892 0.401 0.555 0.946 0.595 CB 1.346 38 residues pruned to eliminate duplicates Z: 14 13.425 1.986 0.337 0.450 1.000 0.385 CB 1.476 15 residues pruned to eliminate duplicates Z: 6 3.097 1.360 0.296 0.366 1.000 0.600 N 0.907 6 residues pruned to eliminate duplicates Z: 27 20.872 1.930 0.292 0.573 0.962 0.654 CB 1.591 27 residues pruned to eliminate duplicates Z: 27 17.481 1.896 0.368 0.524 0.885 0.654 CB 1.459 27 residues pruned to eliminate duplicates Z: 37 21.779 1.831 0.507 0.570 0.944 0.639 CB 1.301 37 residues pruned to eliminate duplicates Z: 26 21.229 1.915 0.419 0.616 0.960 0.520 CB 1.458 26 residues pruned to eliminate duplicates Z: 26 17.587 1.920 0.213 0.573 1.000 0.640 CB 1.408 26 residues pruned to eliminate duplicates Z: 21 13.502 1.777 0.498 0.599 0.850 0.500 CB 1.215 21 residues pruned to eliminate duplicates Z: 11 12.257 1.905 0.382 0.677 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 14 8.429 1.786 0.397 0.725 0.846 0.538 CB 0.904 14 residues pruned to eliminate duplicates Z: 23 11.988 1.813 0.343 0.628 0.864 0.682 CB 1.078 23 residues pruned to eliminate duplicates Z: 40 20.592 1.867 0.387 0.538 0.949 0.615 CB 1.293 40 residues pruned to eliminate duplicates Z: 15 12.832 1.817 0.305 0.737 0.929 0.643 CB 1.259 15 residues pruned to eliminate duplicates Z: 23 13.113 1.807 0.299 0.696 0.955 0.682 CB 1.043 23 residues pruned to eliminate duplicates Z: 22 17.415 1.849 0.455 0.700 1.000 0.810 CB 1.177 30 residues pruned to eliminate duplicates Z: 15 17.004 1.913 0.389 0.895 1.000 0.786 CB 1.225 15 residues pruned to eliminate duplicates Z: 31 13.902 1.825 0.299 0.538 0.933 0.633 CB 1.105 31 residues pruned to eliminate duplicates Z: 20 14.666 1.908 0.364 0.628 0.895 0.421 CB 1.282 20 residues pruned to eliminate duplicates Z: 20 9.228 1.832 0.339 0.601 0.737 0.474 CB 1.063 20 residues pruned to eliminate duplicates Z: 23 13.040 1.829 0.283 0.596 0.818 0.591 CB 1.322 23 residues pruned to eliminate duplicates Z: 44 16.081 1.855 0.424 0.373 0.884 0.535 CB 1.203 44 residues pruned to eliminate duplicates Z: 14 7.573 1.887 0.285 0.371 0.923 0.538 CB 1.077 6 residues pruned to eliminate duplicates Z: 6 2.630 1.232 0.537 0.362 0.800 0.600 O 0.901 6 residues pruned to eliminate duplicates Z: 10 6.110 1.632 0.539 0.506 0.889 0.444 CB 0.907 10 residues pruned to eliminate duplicates Z: 19 8.072 1.766 0.326 0.314 0.889 0.278 CB 1.123 19 residues pruned to eliminate duplicates Z: 6 2.942 1.406 0.344 0.343 1.000 0.200 N 0.826 6 residues pruned to eliminate duplicates Z: 14 7.591 1.873 0.331 0.379 0.846 0.538 CB 1.136 14 residues pruned to eliminate duplicates Z: 30 11.540 1.795 0.351 0.472 0.828 0.379 CB 1.099 30 residues pruned to eliminate duplicates Z: 19 13.736 1.682 0.388 0.741 1.000 0.667 CB 1.118 20 residues pruned to eliminate duplicates Z: 14 12.285 1.715 0.208 0.897 1.000 0.923 CB 1.177 14 residues pruned to eliminate duplicates Z: 26 14.686 1.728 0.608 0.578 0.920 0.640 CB 1.065 30 residues pruned to eliminate duplicates Z: 13 14.415 1.718 0.587 0.841 0.917 0.917 CB 1.242 13 residues pruned to eliminate duplicates Z: 24 10.830 1.686 0.259 0.606 0.870 0.609 CB 1.106 21 residues pruned to eliminate duplicates Z: 15 13.548 1.710 0.352 0.773 1.000 0.786 CB 1.231 18 residues pruned to eliminate duplicates Z: 14 12.578 1.717 0.417 0.845 0.923 0.615 CB 1.155 14 residues pruned to eliminate duplicates Z: 9 8.650 1.734 0.812 0.683 0.875 0.625 CB 0.940 9 residues pruned to eliminate duplicates Z: 10 9.576 1.726 0.692 0.676 0.889 0.667 CB 1.046 13 residues pruned to eliminate duplicates Z: 16 15.006 1.734 0.427 0.782 1.000 0.867 CB 1.221 13 residues pruned to eliminate duplicates Z: 14 13.417 1.697 0.519 0.829 0.923 0.308 CB 1.176 14 residues pruned to eliminate duplicates Z: 11 3.609 1.596 0.208 0.375 0.800 0.700 CB 0.846 11 residues pruned to eliminate duplicates Z: 14 7.453 1.699 0.275 0.566 0.846 0.692 CB 1.058 14 residues pruned to eliminate duplicates Z: 21 11.048 1.712 0.298 0.610 0.900 0.550 CB 1.112 21 residues pruned to eliminate duplicates Z: 27 13.876 1.699 0.416 0.588 1.000 0.654 CB 1.040 27 residues pruned to eliminate duplicates Z: 7 4.013 1.668 0.333 0.259 1.000 0.333 CB 0.971 5 residues pruned to eliminate duplicates Z: 10 5.518 1.449 0.771 0.425 0.778 0.444 N 0.996 12 residues pruned to eliminate duplicates Z: 9 5.998 1.577 0.553 0.404 1.000 0.250 CB 0.958 9 residues pruned to eliminate duplicates Z: 10 8.372 1.667 0.668 0.548 1.000 0.556 N 0.958 10 residues pruned to eliminate duplicates Z: 8 8.201 1.702 0.663 0.538 0.857 0.286 N 1.231 8 residues pruned to eliminate duplicates Z: 11 7.156 1.720 0.407 0.401 0.800 0.400 CB 1.298 11 residues pruned to eliminate duplicates Z: 16 5.483 1.698 0.172 0.442 0.867 0.600 CB 0.871 16 residues pruned to eliminate duplicates Z: 9 3.227 1.538 0.505 0.591 0.750 0.375 CB 0.603 Z: 7 4.070 1.446 0.352 0.736 1.000 0.500 CB 0.687 15 residues pruned to eliminate duplicates Z: 6 6.982 1.569 0.994 0.656 0.800 0.600 CB 1.079 6 residues pruned to eliminate duplicates Z: 7 4.532 1.707 0.613 0.440 0.833 0.167 CB 0.858 Z: 6 6.826 1.626 0.618 0.782 0.800 0.600 CB 1.132 6 residues pruned to eliminate duplicates Z: 6 3.414 1.515 0.252 0.269 1.000 0.800 CB 1.047 6 residues pruned to eliminate duplicates Z: 8 4.999 1.579 0.508 0.598 0.857 0.571 CB 0.843 6 residues pruned to eliminate duplicates Z: 6 3.460 1.238 0.610 0.749 0.800 0.800 C 0.777 Z: 9 13.232 1.830 0.676 0.670 0.875 0.375 CA 1.491 9 residues pruned to eliminate duplicates Z: 15 14.746 1.976 0.685 0.456 0.857 0.500 CB 1.445 15 residues pruned to eliminate duplicates Z: 17 10.131 1.780 0.724 0.406 0.750 0.375 CB 1.215 17 residues pruned to eliminate duplicates Z: 7 12.191 1.880 0.749 0.745 0.833 0.500 CA 1.458 8 residues pruned to eliminate duplicates Z: 9 15.945 1.901 0.609 0.783 1.000 0.875 CB 1.437 18 residues pruned to eliminate duplicates Z: 9 12.980 1.858 0.449 0.756 1.000 0.750 CB 1.357 9 residues pruned to eliminate duplicates Z: 8 12.417 1.947 0.730 0.515 0.857 0.571 CB 1.601 8 residues pruned to eliminate duplicates Z: 16 11.057 1.904 0.485 0.397 0.800 0.333 CB 1.407 16 residues pruned to eliminate duplicates Z: 15 14.403 2.012 0.611 0.506 0.786 0.714 CB 1.503 15 residues pruned to eliminate duplicates Z: 16 17.307 1.987 0.628 0.544 0.933 0.600 CB 1.418 16 residues pruned to eliminate duplicates 6 1.685 1.558 0.361 0.180 0.600 0.400 CB 0.872 ? Z: 7 5.645 1.466 0.943 0.270 1.000 0.333 CB 1.051 Z: 19 10.217 1.663 0.522 0.723 0.944 0.778 CB 0.824 19 residues pruned to eliminate duplicates Z: 21 7.409 1.702 0.185 0.628 0.750 0.700 CB 0.971 21 residues pruned to eliminate duplicates Z: 12 6.926 1.729 0.437 0.641 0.727 0.545 CB 1.014 12 residues pruned to eliminate duplicates Z: 20 8.889 1.760 0.482 0.637 0.842 0.632 CB 0.817 20 residues pruned to eliminate duplicates Z: 19 11.378 1.785 0.405 0.665 0.833 0.722 CB 1.102 19 residues pruned to eliminate duplicates Z: 32 14.199 1.831 0.472 0.577 0.806 0.548 CB 1.089 45 residues pruned to eliminate duplicates Z: 16 13.392 1.715 0.384 0.841 1.000 0.800 CB 1.086 16 residues pruned to eliminate duplicates Z: 18 14.326 1.821 0.515 0.763 0.882 0.882 CB 1.130 18 residues pruned to eliminate duplicates Z: 14 13.535 1.858 0.574 0.895 1.000 0.692 CB 0.920 14 residues pruned to eliminate duplicates Z: 21 11.665 1.778 0.380 0.654 0.850 0.550 CB 1.083 21 residues pruned to eliminate duplicates Z: 20 12.288 1.765 0.406 0.708 0.895 0.632 CB 1.051 20 residues pruned to eliminate duplicates Z: 19 10.516 1.792 0.437 0.715 0.778 0.667 CB 1.019 19 residues pruned to eliminate duplicates Z: 19 12.617 1.800 0.472 0.722 0.833 0.722 CB 1.102 19 residues pruned to eliminate duplicates Z: 16 14.937 1.721 0.512 0.892 1.000 0.867 CB 1.065 16 residues pruned to eliminate duplicates Z: 14 13.926 1.870 0.455 0.883 1.000 0.846 CB 1.026 14 residues pruned to eliminate duplicates Z: 9 7.663 1.792 0.247 0.619 0.875 0.750 N 1.238 9 residues pruned to eliminate duplicates Z: 15 11.400 1.713 0.767 0.832 0.857 0.643 CB 0.882 16 residues pruned to eliminate duplicates Z: 16 14.945 1.759 0.543 0.832 0.933 0.600 CB 1.143 16 residues pruned to eliminate duplicates Z: 9 13.586 1.825 0.732 0.715 1.000 0.750 CB 1.251 8 residues pruned to eliminate duplicates Z: 15 13.081 1.769 0.530 0.830 0.929 0.643 CB 1.046 15 residues pruned to eliminate duplicates Z: 13 13.238 1.693 0.559 0.726 0.917 0.833 CB 1.289 13 residues pruned to eliminate duplicates Z: 15 10.796 1.723 0.644 0.787 0.786 0.643 CB 1.008 15 residues pruned to eliminate duplicates Z: 14 9.198 1.677 0.281 0.727 0.923 0.846 CB 1.049 14 residues pruned to eliminate duplicates Z: 13 12.957 1.730 0.494 0.731 1.000 0.750 CB 1.176 13 residues pruned to eliminate duplicates Z: 16 13.118 1.722 0.541 0.663 0.933 0.667 CB 1.176 16 residues pruned to eliminate duplicates Z: 15 16.083 1.733 0.690 0.736 0.929 0.643 CB 1.279 16 residues pruned to eliminate duplicates Z: 15 15.159 1.773 0.479 0.847 0.929 0.786 CB 1.235 15 residues pruned to eliminate duplicates Z: 17 11.511 1.691 0.272 0.749 0.938 0.875 CB 1.142 15 residues pruned to eliminate duplicates Z: 13 9.838 1.694 0.291 0.921 1.000 0.917 CB 0.913 13 residues pruned to eliminate duplicates Z: 7 5.254 1.650 0.058 0.751 1.000 0.667 CB 0.982 7 residues pruned to eliminate duplicates Z: 13 14.543 1.881 0.575 0.800 1.000 0.667 CB 1.091 12 residues pruned to eliminate duplicates Z: 13 9.945 1.667 0.457 0.815 1.000 0.750 CB 0.899 13 residues pruned to eliminate duplicates Z: 17 13.690 1.787 0.499 0.664 0.938 0.688 CB 1.171 13 residues pruned to eliminate duplicates Z: 12 13.962 1.823 0.545 0.872 1.000 0.818 CB 1.090 12 residues pruned to eliminate duplicates Z: 15 15.627 1.891 0.552 0.722 1.000 0.857 CB 1.165 17 residues pruned to eliminate duplicates Z: 12 13.267 1.830 0.601 0.890 1.000 0.818 CB 0.983 12 residues pruned to eliminate duplicates Z: 19 14.472 1.733 0.511 0.689 0.944 0.833 CB 1.161 15 residues pruned to eliminate duplicates Z: 13 14.927 1.784 0.722 0.838 1.000 0.833 CB 1.049 13 residues pruned to eliminate duplicates Z: 16 15.136 1.808 0.699 0.654 0.933 0.667 CB 1.181 16 residues pruned to eliminate duplicates Z: 16 14.031 1.803 0.493 0.703 0.933 0.667 CB 1.199 16 residues pruned to eliminate duplicates Z: 18 13.779 1.794 0.530 0.617 0.941 0.588 CB 1.158 18 residues pruned to eliminate duplicates Z: 25 14.991 1.776 0.568 0.528 0.917 0.542 CB 1.166 28 residues pruned to eliminate duplicates Z: 6 4.902 1.662 0.853 0.487 0.600 0.400 N 1.203 6 residues pruned to eliminate duplicates Z: 21 11.909 1.756 0.509 0.571 0.850 0.700 CB 1.103 21 residues pruned to eliminate duplicates Z: 19 5.511 1.595 0.360 0.348 0.722 0.222 CB 0.977 18 residues pruned to eliminate duplicates Z: 6 3.196 1.672 0.143 0.372 0.600 0.200 N 1.428 6 residues pruned to eliminate duplicates Z: 7 5.300 1.658 0.623 0.327 0.833 0.167 CB 1.168 7 residues pruned to eliminate duplicates Z: 10 5.423 1.643 0.263 0.372 0.889 0.000 N 1.124 10 residues pruned to eliminate duplicates Z: 16 8.157 1.567 0.478 0.416 0.867 0.400 N 1.145 27 residues pruned to eliminate duplicates Z: 14 5.399 1.509 0.214 0.337 0.769 0.308 N 1.269 14 residues pruned to eliminate duplicates Z: 7 4.321 1.653 0.335 0.589 0.833 0.333 CB 0.881 7 residues pruned to eliminate duplicates Z: 11 6.491 1.642 0.494 0.504 0.900 0.500 CB 0.927 10 residues pruned to eliminate duplicates Z: 8 7.646 1.363 1.087 0.453 1.000 0.429 N 1.066 7 residues pruned to eliminate duplicates Z: 8 13.119 1.954 0.542 0.671 0.857 0.714 N 1.640 8 residues pruned to eliminate duplicates Z: 7 10.532 1.935 0.747 0.512 0.833 0.500 CB 1.509 7 residues pruned to eliminate duplicates Z: 7 14.169 1.890 0.609 0.687 1.000 0.667 N 1.603 7 residues pruned to eliminate duplicates Z: 27 18.245 1.889 0.617 0.573 0.808 0.500 CB 1.352 27 residues pruned to eliminate duplicates Z: 26 24.569 1.934 0.620 0.617 0.960 0.600 CB 1.463 26 residues pruned to eliminate duplicates Z: 27 19.966 1.865 0.537 0.580 0.923 0.808 CB 1.370 27 residues pruned to eliminate duplicates Z: 15 14.259 1.911 0.443 0.424 1.000 0.714 CB 1.497 15 residues pruned to eliminate duplicates Z: 37 19.966 1.871 0.441 0.557 0.889 0.444 CB 1.313 37 residues pruned to eliminate duplicates Z: 16 12.982 1.858 0.563 0.421 0.933 0.533 CB 1.343 16 residues pruned to eliminate duplicates Z: 27 24.194 1.934 0.580 0.603 0.923 0.385 CB 1.525 27 residues pruned to eliminate duplicates Z: 29 20.470 1.876 0.579 0.587 0.929 0.571 CB 1.294 29 residues pruned to eliminate duplicates Z: 28 20.011 1.861 0.559 0.613 0.889 0.556 CB 1.342 28 residues pruned to eliminate duplicates Z: 22 18.204 1.799 0.546 0.623 0.905 0.381 N 1.405 22 residues pruned to eliminate duplicates Z: 27 18.041 1.827 0.532 0.542 0.885 0.423 CB 1.372 27 residues pruned to eliminate duplicates Z: 28 20.328 1.782 0.529 0.595 0.963 0.593 CB 1.362 28 residues pruned to eliminate duplicates Z: 13 16.290 1.935 0.759 0.735 0.833 0.333 CB 1.342 13 residues pruned to eliminate duplicates Z: 19 12.838 1.857 0.508 0.622 0.889 0.444 CB 1.084 19 residues pruned to eliminate duplicates Z: 19 11.603 1.704 0.325 0.492 0.889 0.500 N 1.374 19 residues pruned to eliminate duplicates Z: 28 18.443 1.903 0.328 0.570 0.926 0.444 CB 1.418 28 residues pruned to eliminate duplicates Z: 24 17.931 1.872 0.493 0.577 0.870 0.478 CB 1.429 24 residues pruned to eliminate duplicates Z: 9 11.238 1.943 0.829 0.640 0.750 0.500 CB 1.308 9 residues pruned to eliminate duplicates Z: 17 14.585 1.873 0.345 0.606 0.938 0.500 CA 1.397 17 residues pruned to eliminate duplicates Z: 21 17.145 1.849 0.471 0.662 0.900 0.650 CB 1.349 21 residues pruned to eliminate duplicates Z: 13 15.653 1.992 0.461 0.692 0.917 0.750 CA 1.421 13 residues pruned to eliminate duplicates Z: 24 20.203 1.906 0.504 0.653 1.000 0.609 CB 1.275 24 residues pruned to eliminate duplicates Z: 35 16.866 1.807 0.502 0.448 0.912 0.471 CB 1.232 35 residues pruned to eliminate duplicates Z: 25 15.494 1.876 0.451 0.560 0.875 0.542 CB 1.253 25 residues pruned to eliminate duplicates Z: 19 16.221 1.910 0.451 0.682 0.833 0.778 CB 1.401 19 residues pruned to eliminate duplicates Z: 34 15.427 1.817 0.475 0.505 0.909 0.485 CB 1.096 34 residues pruned to eliminate duplicates Z: 23 17.050 1.883 0.513 0.516 0.955 0.500 CB 1.316 23 residues pruned to eliminate duplicates Z: 33 16.304 1.961 0.464 0.440 0.875 0.719 CB 1.221 36 residues pruned to eliminate duplicates Z: 11 11.447 1.650 0.703 0.608 0.800 0.800 O 1.453 33 residues pruned to eliminate duplicates Z: 8 12.182 1.792 0.795 0.708 0.857 0.571 N 1.383 8 residues pruned to eliminate duplicates Z: 33 13.231 1.929 0.431 0.390 0.812 0.500 CB 1.172 33 residues pruned to eliminate duplicates Z: 16 8.550 1.717 0.506 0.322 0.867 0.400 CB 1.199 16 residues pruned to eliminate duplicates Z: 12 5.128 1.639 0.335 0.195 0.818 0.273 CB 1.243 12 residues pruned to eliminate duplicates Z: 36 11.153 1.722 0.481 0.378 0.743 0.457 CB 1.133 35 residues pruned to eliminate duplicates Z: 6 6.042 1.580 0.520 0.462 1.000 0.600 CA 1.169 6 residues pruned to eliminate duplicates Z: 12 5.763 1.754 0.343 0.219 0.909 0.182 CB 1.128 12 residues pruned to eliminate duplicates Z: 10 2.506 1.418 0.232 0.113 0.778 0.222 CB 1.002 10 residues pruned to eliminate duplicates Z: 37 15.425 1.934 0.532 0.362 0.833 0.500 CB 1.208 37 residues pruned to eliminate duplicates Z: 30 14.628 1.967 0.396 0.311 0.897 0.586 CB 1.360 30 residues pruned to eliminate duplicates Z: 12 5.700 1.783 0.448 0.164 0.727 0.182 CB 1.379 12 residues pruned to eliminate duplicates Z: 60 18.814 1.886 0.444 0.377 0.831 0.441 CB 1.235 50 residues pruned to eliminate duplicates Z: 18 19.102 1.926 0.318 0.775 1.000 0.706 CB 1.431 18 residues pruned to eliminate duplicates Z: 19 26.153 2.085 0.668 0.662 1.000 0.778 CB 1.525 19 residues pruned to eliminate duplicates Z: 27 20.671 1.959 0.599 0.507 0.923 0.615 CB 1.393 27 residues pruned to eliminate duplicates Z: 26 22.713 1.954 0.697 0.514 0.960 0.520 CB 1.408 26 residues pruned to eliminate duplicates Z: 29 17.437 1.891 0.575 0.515 0.893 0.607 CB 1.220 29 residues pruned to eliminate duplicates Z: 45 21.854 1.955 0.562 0.462 0.932 0.568 CB 1.204 50 residues pruned to eliminate duplicates Z: 15 19.560 1.968 0.807 0.808 0.857 0.714 CB 1.311 15 residues pruned to eliminate duplicates Z: 20 21.579 2.092 0.695 0.589 1.000 0.789 CB 1.282 20 residues pruned to eliminate duplicates Z: 19 23.781 2.112 0.731 0.610 0.944 0.556 CB 1.463 19 residues pruned to eliminate duplicates Z: 25 25.809 2.019 0.804 0.554 1.000 0.583 CB 1.372 25 residues pruned to eliminate duplicates Z: 22 22.755 2.055 0.622 0.589 0.952 0.619 CB 1.435 22 residues pruned to eliminate duplicates Z: 30 17.791 1.885 0.616 0.442 0.862 0.690 CB 1.336 30 residues pruned to eliminate duplicates Z: 24 24.707 2.062 0.702 0.576 1.000 0.609 CB 1.363 24 residues pruned to eliminate duplicates Z: 21 24.267 2.124 0.671 0.624 0.950 0.750 CB 1.432 21 residues pruned to eliminate duplicates Z: 26 21.780 1.971 0.804 0.509 0.920 0.640 CB 1.320 26 residues pruned to eliminate duplicates Z: 23 22.451 2.054 0.698 0.603 0.909 0.636 CB 1.369 23 residues pruned to eliminate duplicates Z: 19 24.364 2.115 0.822 0.624 1.000 0.611 CB 1.326 19 residues pruned to eliminate duplicates Z: 23 19.843 1.971 0.740 0.577 0.909 0.545 CB 1.260 23 residues pruned to eliminate duplicates Z: 19 18.309 2.069 0.891 0.624 0.833 0.500 CB 1.178 19 residues pruned to eliminate duplicates Z: 29 12.376 1.922 0.360 0.383 0.821 0.500 CB 1.234 29 residues pruned to eliminate duplicates Z: 26 14.410 1.930 0.528 0.321 0.880 0.520 CB 1.352 25 residues pruned to eliminate duplicates Z: 8 5.197 1.753 0.267 0.575 1.000 0.571 CB 0.822 8 residues pruned to eliminate duplicates Z: 40 13.715 1.803 0.510 0.334 0.744 0.410 CB 1.301 30 residues pruned to eliminate duplicates Z: 6 4.663 1.724 0.322 0.626 0.800 0.600 CB 1.015 Z: 7 6.882 1.607 0.388 0.609 1.000 0.500 CA 1.136 13 residues pruned to eliminate duplicates Z: 49 25.363 2.035 0.573 0.489 0.958 0.604 CB 1.206 49 residues pruned to eliminate duplicates Z: 28 14.231 1.986 0.267 0.404 0.926 0.556 CB 1.300 29 residues pruned to eliminate duplicates Z: 12 8.609 1.812 0.531 0.464 1.000 0.364 CB 0.971 12 residues pruned to eliminate duplicates Z: 16 10.039 1.962 0.246 0.436 1.000 0.467 CB 1.132 16 residues pruned to eliminate duplicates Z: 23 10.750 1.941 0.458 0.351 0.864 0.500 CB 1.102 23 residues pruned to eliminate duplicates Z: 28 15.036 1.996 0.389 0.419 0.889 0.444 CB 1.278 28 residues pruned to eliminate duplicates Z: 19 18.879 2.087 0.536 0.461 1.000 0.611 CB 1.443 19 residues pruned to eliminate duplicates Z: 13 12.835 2.093 0.448 0.434 0.833 0.417 CB 1.571 13 residues pruned to eliminate duplicates Z: 33 11.854 1.905 0.316 0.410 0.875 0.562 CB 1.050 33 residues pruned to eliminate duplicates Z: 32 11.661 1.859 0.402 0.372 0.871 0.452 CB 1.058 32 residues pruned to eliminate duplicates Z: 30 13.864 1.948 0.366 0.400 0.862 0.448 CB 1.247 30 residues pruned to eliminate duplicates Z: 22 14.567 2.005 0.480 0.395 0.905 0.524 CB 1.323 22 residues pruned to eliminate duplicates Z: 26 11.222 1.951 0.178 0.404 0.920 0.480 CB 1.174 26 residues pruned to eliminate duplicates Z: 21 11.228 1.954 0.240 0.411 0.950 0.550 CB 1.197 21 residues pruned to eliminate duplicates Z: 29 15.068 2.002 0.307 0.427 0.857 0.607 CB 1.370 29 residues pruned to eliminate duplicates Z: 29 17.046 2.021 0.417 0.445 0.929 0.679 CB 1.282 29 residues pruned to eliminate duplicates Z: 41 14.541 1.876 0.397 0.359 0.800 0.425 CB 1.276 41 residues pruned to eliminate duplicates Z: 43 13.735 1.844 0.368 0.308 0.857 0.429 CB 1.213 43 residues pruned to eliminate duplicates Z: 35 13.003 1.734 0.374 0.339 0.824 0.294 CB 1.355 35 residues pruned to eliminate duplicates Z: 73 23.898 1.837 0.448 0.435 0.875 0.500 CB 1.294 59 residues pruned to eliminate duplicates Z: 9 11.969 1.717 0.446 0.819 1.000 0.750 CB 1.292 Z: 10 10.933 1.572 0.448 0.814 1.000 0.778 CB 1.218 10 residues pruned to eliminate duplicates Z: 11 10.398 1.514 0.586 0.731 0.900 0.700 CB 1.236 10 residues pruned to eliminate duplicates Z: 12 12.521 1.552 0.621 0.771 1.000 0.545 CB 1.181 11 residues pruned to eliminate duplicates Z: 12 14.390 1.540 0.743 0.812 1.000 0.545 CB 1.232 11 residues pruned to eliminate duplicates Z: 11 13.172 1.516 0.791 0.856 1.000 0.600 CB 1.132 11 residues pruned to eliminate duplicates Z: 16 9.742 1.665 0.394 0.503 0.933 0.400 CB 1.157 11 residues pruned to eliminate duplicates Z: 10 14.427 1.641 0.745 0.775 1.000 0.444 CA 1.317 11 residues pruned to eliminate duplicates Z: 11 11.765 1.634 0.606 0.674 0.900 0.300 CB 1.343 11 residues pruned to eliminate duplicates Z: 17 5.255 1.619 0.322 0.248 0.625 0.312 CB 1.314 8 residues pruned to eliminate duplicates Z: 6 5.965 1.434 0.476 0.547 1.000 0.600 CA 1.204 Z: 8 2.050 1.419 0.384 0.321 0.714 0.429 CB 0.672 Z: 8 2.000 1.520 -0.011 0.375 0.714 0.571 CB 0.805 8 residues pruned to eliminate duplicates Z: 6 2.366 1.451 0.210 0.577 0.800 0.600 CB 0.699 Z: 6 2.959 1.722 -0.158 0.397 1.000 0.600 CB 1.018 4 residues pruned to eliminate duplicates Z: 8 6.507 1.648 0.728 0.479 0.857 0.286 CB 1.029 6 residues pruned to eliminate duplicates Z: 11 8.942 1.769 0.717 0.619 1.000 0.700 CB 0.832 11 residues pruned to eliminate duplicates Z: 13 5.750 1.794 0.795 0.524 1.000 0.333 CB 0.504 13 residues pruned to eliminate duplicates Z: 12 10.161 1.888 0.643 0.540 1.000 0.636 CB 0.949 25 residues pruned to eliminate duplicates Z: 9 10.882 1.761 0.579 0.822 1.000 0.875 CB 1.047 9 residues pruned to eliminate duplicates Z: 15 9.945 1.783 0.530 0.464 0.929 0.571 CB 1.088 15 residues pruned to eliminate duplicates Z: 6 4.975 1.733 0.880 0.493 0.800 0.600 CB 0.860 6 residues pruned to eliminate duplicates Z: 6 3.849 1.666 0.940 0.576 0.800 0.800 CB 0.619 6 residues pruned to eliminate duplicates Z: 24 16.213 1.851 0.548 0.613 0.826 0.565 CB 1.284 24 residues pruned to eliminate duplicates Z: 24 16.707 1.828 0.602 0.576 0.870 0.565 CB 1.272 24 residues pruned to eliminate duplicates Z: 17 10.162 1.785 0.463 0.472 0.875 0.625 CB 1.145 17 residues pruned to eliminate duplicates Z: 14 12.329 1.826 0.791 0.435 0.846 0.462 CB 1.322 14 residues pruned to eliminate duplicates Z: 13 10.934 1.799 0.697 0.405 0.833 0.500 CB 1.371 13 residues pruned to eliminate duplicates Z: 14 15.702 1.833 0.916 0.459 1.000 0.615 CB 1.293 14 residues pruned to eliminate duplicates Z: 13 14.358 1.836 0.985 0.484 0.833 0.583 CA 1.386 13 residues pruned to eliminate duplicates Z: 15 13.172 1.767 0.913 0.457 0.857 0.571 CB 1.270 15 residues pruned to eliminate duplicates Z: 23 17.017 1.905 0.610 0.560 0.864 0.545 CB 1.292 23 residues pruned to eliminate duplicates Z: 13 10.890 1.759 0.514 0.508 0.917 0.583 CB 1.277 13 residues pruned to eliminate duplicates Z: 45 23.288 1.828 0.618 0.585 0.886 0.727 CB 1.234 45 residues pruned to eliminate duplicates Z: 26 18.815 1.855 0.571 0.638 1.000 0.720 CB 1.134 26 residues pruned to eliminate duplicates Z: 21 9.335 1.679 0.448 0.629 0.850 0.700 CB 0.895 21 residues pruned to eliminate duplicates Z: 27 18.882 1.817 0.594 0.664 0.962 0.615 CB 1.143 25 residues pruned to eliminate duplicates Z: 14 15.787 1.847 0.836 0.752 1.000 0.692 CB 1.031 14 residues pruned to eliminate duplicates Z: 12 12.153 1.914 0.768 0.779 0.727 0.636 CB 1.165 12 residues pruned to eliminate duplicates Z: 12 13.842 1.991 0.552 0.721 0.909 0.545 CB 1.217 12 residues pruned to eliminate duplicates Z: 40 20.861 1.856 0.477 0.599 0.949 0.615 CB 1.169 42 residues pruned to eliminate duplicates Z: 13 15.451 1.899 0.696 0.714 1.000 0.750 CB 1.141 13 residues pruned to eliminate duplicates Z: 17 8.158 1.712 0.501 0.514 0.938 0.562 CB 0.835 17 residues pruned to eliminate duplicates Z: 48 22.860 1.848 0.550 0.540 0.957 0.617 CB 1.169 46 residues pruned to eliminate duplicates Z: 12 13.666 1.923 0.454 0.814 0.909 0.818 CB 1.234 12 residues pruned to eliminate duplicates Z: 35 26.189 1.903 0.666 0.630 1.000 0.735 CB 1.254 35 residues pruned to eliminate duplicates Z: 46 24.951 1.896 0.648 0.546 0.933 0.600 CB 1.220 46 residues pruned to eliminate duplicates Z: 43 22.703 1.870 0.555 0.543 0.929 0.690 CB 1.244 43 residues pruned to eliminate duplicates Z: 32 17.554 1.912 0.507 0.562 0.903 0.677 CB 1.141 32 residues pruned to eliminate duplicates Z: 31 16.576 1.887 0.518 0.507 0.867 0.467 CB 1.210 31 residues pruned to eliminate duplicates Z: 24 13.026 1.845 0.454 0.406 0.913 0.435 CB 1.224 24 residues pruned to eliminate duplicates Z: 40 19.400 1.862 0.445 0.540 0.974 0.538 CB 1.139 40 residues pruned to eliminate duplicates Z: 23 17.810 1.884 0.613 0.622 0.909 0.636 CB 1.225 23 residues pruned to eliminate duplicates Z: 35 19.519 1.781 0.587 0.539 0.882 0.471 CB 1.291 35 residues pruned to eliminate duplicates Z: 21 12.282 1.865 0.386 0.478 0.850 0.450 CB 1.279 21 residues pruned to eliminate duplicates Z: 32 18.142 1.940 0.503 0.534 0.903 0.548 CB 1.196 32 residues pruned to eliminate duplicates Z: 19 10.293 1.916 0.408 0.396 0.778 0.444 CB 1.291 19 residues pruned to eliminate duplicates Z: 19 8.553 1.796 0.314 0.349 0.833 0.389 CB 1.206 19 residues pruned to eliminate duplicates Z: 25 13.518 1.904 0.546 0.433 0.833 0.375 CB 1.206 25 residues pruned to eliminate duplicates Z: 47 19.739 1.824 0.510 0.509 0.891 0.565 CB 1.175 47 residues pruned to eliminate duplicates Z: 24 10.873 1.739 0.520 0.419 0.870 0.565 CB 1.073 24 residues pruned to eliminate duplicates Z: 32 20.635 1.921 0.577 0.537 0.935 0.548 CB 1.261 32 residues pruned to eliminate duplicates Z: 30 13.650 1.839 0.445 0.450 0.793 0.483 CB 1.266 30 residues pruned to eliminate duplicates Z: 33 18.505 1.851 0.459 0.586 0.938 0.562 CB 1.190 33 residues pruned to eliminate duplicates Z: 16 10.923 1.885 0.493 0.514 0.800 0.467 CB 1.235 15 residues pruned to eliminate duplicates Z: 7 9.850 1.736 0.686 0.664 1.000 0.500 CA 1.181 8 residues pruned to eliminate duplicates Z: 15 15.121 1.891 0.463 0.832 0.857 0.571 CB 1.280 15 residues pruned to eliminate duplicates Z: 15 15.179 1.921 0.463 0.711 1.000 0.643 CB 1.192 15 residues pruned to eliminate duplicates Z: 16 10.901 1.846 0.410 0.743 0.933 0.800 CB 0.932 16 residues pruned to eliminate duplicates Z: 14 10.821 1.761 0.281 0.606 0.923 0.538 CB 1.303 11 residues pruned to eliminate duplicates Z: 13 18.376 1.985 0.470 0.774 1.000 0.667 CB 1.428 23 residues pruned to eliminate duplicates Z: 13 16.012 1.986 0.307 0.788 1.000 0.750 CB 1.383 13 residues pruned to eliminate duplicates Z: 15 15.249 1.831 0.545 0.817 0.929 0.714 CB 1.178 15 residues pruned to eliminate duplicates Z: 17 16.424 1.821 0.479 0.814 0.875 0.750 CB 1.326 17 residues pruned to eliminate duplicates Z: 20 17.116 1.748 0.488 0.789 1.000 0.842 CB 1.172 20 residues pruned to eliminate duplicates Z: 16 18.087 1.922 0.473 0.819 1.000 0.733 CB 1.251 16 residues pruned to eliminate duplicates Z: 17 17.671 1.857 0.468 0.720 1.000 0.688 CB 1.329 14 residues pruned to eliminate duplicates Z: 6 4.723 1.751 0.550 0.723 0.800 0.600 CB 0.795 6 residues pruned to eliminate duplicates Z: 18 15.043 1.915 0.546 0.690 0.882 0.647 CB 1.174 18 residues pruned to eliminate duplicates Z: 20 16.610 1.782 0.638 0.684 0.895 0.737 CB 1.233 20 residues pruned to eliminate duplicates Z: 6 4.534 1.409 0.683 0.658 0.800 0.600 CB 0.923 6 residues pruned to eliminate duplicates Z: 11 6.271 1.756 0.169 0.436 0.900 0.200 CB 1.147 11 residues pruned to eliminate duplicates Z: 9 3.603 1.739 0.573 0.240 0.625 0.375 CB 1.006 9 residues pruned to eliminate duplicates Z: 6 6.281 1.971 0.623 0.391 0.800 0.400 CB 1.232 6 residues pruned to eliminate duplicates Z: 16 6.485 1.691 0.412 0.211 0.867 0.333 CB 1.138 23 residues pruned to eliminate duplicates Z: 6 2.663 1.712 -0.155 0.430 0.800 0.400 CB 1.107 6 residues pruned to eliminate duplicates Z: 15 6.343 1.771 0.302 0.217 0.786 0.500 CB 1.304 16 residues pruned to eliminate duplicates Z: 6 7.943 1.689 0.431 0.616 1.000 0.600 O 1.317 10 residues pruned to eliminate duplicates Z: 6 4.330 1.547 0.551 0.400 0.800 0.200 CB 1.120 6 residues pruned to eliminate duplicates Z: 15 7.266 1.703 0.549 0.212 0.857 0.357 CB 1.206 11 residues pruned to eliminate duplicates Z: 7 6.837 1.461 0.593 0.563 1.000 0.500 CB 1.128 6 residues pruned to eliminate duplicates Z: 7 3.065 1.466 0.280 0.431 0.667 0.333 CB 1.074 Z: 6 4.914 1.408 0.331 0.838 0.800 0.400 CB 1.095 11 residues pruned to eliminate duplicates Z: 6 4.642 1.386 0.668 0.718 0.800 0.600 CB 0.922 5 residues pruned to eliminate duplicates 755 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 8 D: 7 E: 11 F: 6 G: 32 H: 16 I: 63 J: 30 K: 8 L: 25 M: 10 N: 27 O: 13 P: 12 Q: 38 R: 10 S: 6 T: 46 U: 20 V: 10 W: 11 X: 34 Y: 18 Z: 34 Z: 20 Z: 95 Z: 14 Z: 16 Z: 15 Z: 47 Z: 22 Z: 19 CC for partial structure against native data = 27.78 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.453, Connect. = 0.662 for dens.mod. cycle 1 = 0.302, Contrast = 0.530, Connect. = 0.690 for dens.mod. cycle 2 = 0.302, Contrast = 0.626, Connect. = 0.724 for dens.mod. cycle 3 = 0.302, Contrast = 0.641, Connect. = 0.728 for dens.mod. cycle 4 = 0.302, Contrast = 0.655, Connect. = 0.732 for dens.mod. cycle 5 = 0.302, Contrast = 0.660, Connect. = 0.734 for dens.mod. cycle 6 = 0.302, Contrast = 0.665, Connect. = 0.736 for dens.mod. cycle 7 = 0.302, Contrast = 0.667, Connect. = 0.738 for dens.mod. cycle 8 = 0.302, Contrast = 0.669, Connect. = 0.740 for dens.mod. cycle 9 = 0.302, Contrast = 0.670, Connect. = 0.741 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.33 - 4.22 - 3.68 - 3.34 - 3.10 - 2.92 - 2.77 - 2.65 - 2.55 - 2.46 0.699 0.745 0.725 0.703 0.703 0.681 0.660 0.619 0.601 0.580 0.833 0.875 0.871 0.860 0.867 0.866 0.838 0.790 0.769 0.750 N 5250 5282 5308 5330 5243 5147 5415 5204 5111 5200 Estimated mean FOM = 0.672 Pseudo-free CC = 69.02 % Best trace (cycle 1 with CC 33.49%) was saved as ./1vkn-2.5-parrot-mrncs/1vkn-2.5-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 4.6 - FFTs and peak-searches 16.3 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1095.3 - Tripeptide search 7030.7 - Chain tracing 0.0 - NCS analysis 61.9 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 21:42:00 Total time: 8210.24 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 137.7 Used memory is bytes: 24061224