null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:10:18 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: ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.ins Phases from ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.phi Native data from ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.hkl Listing output to ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.lst Phases output to ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.phs Poly-Ala trace output to ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 Allowed origin shift code: 8 78583 Reflections read from file ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.phi 78583 Reflections read from file ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.hkl 78583 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by -0.000021h^2 -0.000021k^2 +0.000005l^2 +0.000000kl +0.000000hl -0.000021hk 44 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 256 x 256 x 167 0.000 <= z <= 0.333 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.698 = 0.242, Contrast = 0.127, Connect. = 0.618 for dens.mod. cycle 1 = 0.274, Contrast = 0.322, Connect. = 0.648 for dens.mod. cycle 2 = 0.298, Contrast = 0.509, Connect. = 0.717 for dens.mod. cycle 3 = 0.300, Contrast = 0.602, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.673, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.717, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.742, Connect. = 0.779 for dens.mod. cycle 7 = 0.300, Contrast = 0.758, Connect. = 0.784 for dens.mod. cycle 8 = 0.300, Contrast = 0.767, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.774, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6519 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1420 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 17.960 1.715 0.620 0.884 1.000 0.900 CB 1.477 B: 13 23.161 1.866 0.815 0.874 1.000 0.833 CB 1.437 C: 14 24.696 1.799 0.956 0.849 1.000 0.846 N 1.443 13 residues pruned to eliminate duplicates D: 14 21.734 1.800 0.730 0.824 1.000 0.769 CA 1.463 11 residues pruned to eliminate duplicates E: 18 19.385 1.791 0.692 0.909 0.882 0.706 CB 1.248 F: 17 18.189 1.835 0.871 0.466 1.000 0.625 N 1.372 G: 11 15.994 1.897 0.448 0.910 1.000 1.000 CA 1.306 H: 13 21.881 1.881 0.863 0.867 1.000 0.833 CA 1.319 11 residues pruned to eliminate duplicates I: 13 16.899 1.839 0.738 0.857 1.000 0.917 CA 1.125 13 residues pruned to eliminate duplicates J: 12 12.479 1.834 0.500 0.831 1.000 0.636 CB 1.028 K: 18 15.882 1.942 0.710 0.441 0.882 0.471 CB 1.398 L: 36 27.414 1.922 0.892 0.526 0.886 0.543 CB 1.403 14 residues pruned to eliminate duplicates M: 7 6.371 1.781 0.507 0.411 1.000 0.500 CB 1.064 N: 12 15.111 1.669 0.741 0.837 0.909 0.545 CB 1.290 O: 23 27.584 1.830 0.753 0.876 1.000 0.773 CB 1.333 P: 13 19.105 1.812 0.542 0.910 0.917 0.750 CA 1.527 13 residues pruned to eliminate duplicates Q: 6 3.221 1.584 0.105 0.509 0.800 0.800 CB 1.019 R: 10 17.158 2.035 0.901 0.881 0.889 0.667 CB 1.205 S: 20 23.602 1.908 0.548 0.831 1.000 0.789 CA 1.377 20 residues pruned to eliminate duplicates T: 14 18.033 1.640 1.100 0.872 0.923 0.769 CB 1.147 U: 15 21.366 1.774 0.620 0.870 1.000 0.714 N 1.450 15 residues pruned to eliminate duplicates V: 11 24.280 1.960 1.071 0.913 0.900 0.700 CB 1.487 11 residues pruned to eliminate duplicates W: 19 12.769 1.796 0.401 0.674 1.000 0.722 CB 1.019 X: 14 17.300 1.724 0.789 0.789 1.000 0.769 CA 1.208 Y: 21 23.773 1.874 1.014 0.868 0.950 0.650 CB 1.084 Z: 11 11.926 1.904 0.492 0.915 1.000 1.000 CB 0.938 3 residues pruned to eliminate duplicates Z: 7 9.048 1.731 0.804 0.599 0.833 0.833 N 1.292 Z: 12 17.375 1.845 0.753 0.898 1.000 1.000 CB 1.159 12 residues pruned to eliminate duplicates Z: 12 11.390 1.682 0.839 0.511 0.909 0.636 CB 1.208 7 residues pruned to eliminate duplicates Z: 14 19.989 1.824 0.673 0.823 0.923 0.846 CA 1.487 13 residues pruned to eliminate duplicates Z: 13 10.643 1.642 0.850 0.868 0.833 0.750 CB 0.887 13 residues pruned to eliminate duplicates Z: 13 17.366 1.795 0.688 0.815 1.000 0.833 CB 1.259 13 residues pruned to eliminate duplicates Z: 9 5.605 1.724 0.644 0.388 0.625 0.625 CA 1.260 Z: 21 14.570 1.829 1.010 0.845 0.900 0.550 CB 0.732 21 residues pruned to eliminate duplicates Z: 11 16.217 1.841 0.775 0.877 1.000 0.800 CB 1.140 11 residues pruned to eliminate duplicates Z: 13 14.937 1.845 0.694 0.818 0.833 0.667 CA 1.256 14 residues pruned to eliminate duplicates Z: 18 23.296 1.774 0.852 0.921 1.000 0.706 CB 1.210 Z: 43 21.390 1.777 0.703 0.506 0.881 0.619 CB 1.231 Z: 11 13.629 1.760 1.114 0.811 1.000 0.900 CB 0.884 11 residues pruned to eliminate duplicates Z: 12 8.042 1.610 0.425 0.506 0.818 0.455 CB 1.284 Z: 16 12.655 1.487 1.001 0.767 0.867 0.667 CB 1.000 16 residues pruned to eliminate duplicates Z: 13 16.245 1.751 0.551 0.882 1.000 1.000 CA 1.250 Z: 10 13.060 1.756 0.718 0.804 0.889 0.667 CA 1.245 10 residues pruned to eliminate duplicates Z: 8 2.621 1.528 0.605 0.456 0.571 0.286 CB 0.740 Z: 10 5.955 1.635 0.590 0.878 0.889 0.889 CB 0.624 Z: 13 21.514 1.885 1.004 0.800 0.833 0.583 CB 1.518 13 residues pruned to eliminate duplicates Z: 13 16.868 1.665 0.847 0.806 0.917 0.750 CA 1.324 12 residues pruned to eliminate duplicates Z: 14 14.302 1.776 0.996 0.699 0.692 0.308 CB 1.348 17 residues pruned to eliminate duplicates Z: 35 26.259 1.917 0.821 0.507 0.941 0.412 CB 1.361 35 residues pruned to eliminate duplicates Z: 8 4.495 1.876 0.272 0.427 0.857 0.571 CB 0.895 Z: 21 21.837 1.848 0.732 0.906 1.000 0.850 CB 1.085 21 residues pruned to eliminate duplicates Z: 24 16.567 1.797 0.583 0.587 0.913 0.739 CB 1.223 19 residues pruned to eliminate duplicates Z: 14 10.732 1.536 0.495 0.816 1.000 0.769 CB 0.985 14 residues pruned to eliminate duplicates Z: 24 15.035 1.795 0.735 0.465 0.826 0.565 CB 1.262 24 residues pruned to eliminate duplicates Z: 19 9.805 1.736 0.513 0.281 0.889 0.556 CB 1.267 Z: 10 3.669 1.424 0.678 0.229 0.556 0.333 CB 1.264 Z: 6 6.558 1.403 0.497 0.866 1.000 1.000 CA 1.022 Z: 21 20.917 1.818 0.805 0.842 1.000 0.750 CB 1.062 21 residues pruned to eliminate duplicates Z: 21 22.546 1.892 0.632 0.818 0.900 0.750 CA 1.377 21 residues pruned to eliminate duplicates Z: 10 19.792 1.817 1.210 0.923 1.000 0.889 CB 1.154 10 residues pruned to eliminate duplicates Z: 12 21.469 1.805 0.929 0.928 1.000 1.000 CB 1.301 12 residues pruned to eliminate duplicates Z: 6 2.519 1.324 0.109 0.456 0.800 0.600 N 1.003 Z: 13 18.476 1.769 0.907 0.832 1.000 0.833 CA 1.187 13 residues pruned to eliminate duplicates Z: 14 19.001 1.804 0.847 0.768 0.923 0.769 CB 1.351 14 residues pruned to eliminate duplicates Z: 7 7.078 1.715 0.782 0.386 0.833 0.333 CA 1.281 7 residues pruned to eliminate duplicates Z: 21 22.796 1.883 0.776 0.878 1.000 0.850 CB 1.106 21 residues pruned to eliminate duplicates Z: 9 10.413 1.762 1.320 0.888 1.000 0.875 CB 0.649 Z: 10 8.826 1.778 0.510 0.459 0.778 0.556 N 1.468 Z: 22 30.081 1.901 0.886 0.879 0.952 0.762 CA 1.394 21 residues pruned to eliminate duplicates Z: 17 13.476 1.708 0.781 0.594 0.812 0.438 CB 1.246 9 residues pruned to eliminate duplicates Z: 14 10.948 1.582 0.599 0.816 1.000 0.692 CB 0.912 4 residues pruned to eliminate duplicates Z: 21 26.376 1.859 0.911 0.837 1.000 0.650 CA 1.242 21 residues pruned to eliminate duplicates Z: 27 9.532 1.619 0.528 0.342 0.731 0.385 CB 1.227 Z: 13 15.747 1.751 0.521 0.861 1.000 0.750 CA 1.254 13 residues pruned to eliminate duplicates Z: 13 15.282 1.835 0.353 0.913 1.000 0.917 CB 1.258 13 residues pruned to eliminate duplicates Z: 10 6.992 1.774 0.056 0.671 1.000 0.556 CB 1.063 4 residues pruned to eliminate duplicates Z: 14 5.137 1.649 0.455 0.365 0.923 0.692 CB 0.744 9 residues pruned to eliminate duplicates Z: 13 16.028 1.718 0.780 0.814 0.917 0.750 CA 1.257 13 residues pruned to eliminate duplicates Z: 14 21.003 1.764 0.860 0.852 1.000 0.769 CB 1.314 14 residues pruned to eliminate duplicates Z: 8 4.645 1.585 0.359 0.408 1.000 0.429 CB 0.898 Z: 7 7.580 1.496 0.621 0.557 1.000 0.667 N 1.207 Z: 21 26.258 1.855 1.060 0.891 1.000 0.700 CB 1.104 21 residues pruned to eliminate duplicates Z: 16 12.116 1.824 0.840 0.642 0.800 0.600 CB 1.021 16 residues pruned to eliminate duplicates Z: 22 22.707 1.873 0.859 0.883 0.905 0.667 CB 1.137 22 residues pruned to eliminate duplicates Z: 18 22.390 1.897 0.969 0.909 0.941 0.824 CB 1.096 18 residues pruned to eliminate duplicates Z: 12 15.102 1.779 0.487 0.881 1.000 1.000 CA 1.246 12 residues pruned to eliminate duplicates Z: 6 3.950 1.527 0.403 0.298 1.000 0.600 CB 1.033 Z: 9 4.917 1.799 0.626 0.418 0.875 0.625 CB 0.739 Z: 13 19.797 1.865 0.722 0.836 1.000 0.833 CA 1.332 13 residues pruned to eliminate duplicates Z: 10 6.524 1.737 0.405 0.336 0.889 0.667 CB 1.198 Z: 18 17.783 1.706 0.602 0.872 1.000 0.765 CB 1.150 Z: 17 5.666 1.585 0.175 0.329 0.875 0.438 CB 1.048 Z: 13 12.617 1.550 0.668 0.901 1.000 0.833 CB 1.005 Z: 12 20.255 1.909 0.866 0.881 0.909 0.818 CA 1.367 12 residues pruned to eliminate duplicates Z: 16 6.901 1.638 0.677 0.286 0.733 0.333 CB 1.126 Z: 12 13.700 1.784 0.752 0.837 0.909 0.636 CB 1.087 Z: 18 17.806 1.795 0.695 0.913 0.882 0.882 CB 1.139 18 residues pruned to eliminate duplicates Z: 42 29.901 1.882 0.876 0.499 0.927 0.585 CB 1.428 30 residues pruned to eliminate duplicates Z: 28 11.941 1.622 0.926 0.341 0.815 0.481 CB 1.074 13 residues pruned to eliminate duplicates Z: 13 11.829 1.454 0.636 0.828 0.917 0.833 CB 1.180 Z: 21 16.078 1.819 0.524 0.833 1.000 0.850 CB 0.972 21 residues pruned to eliminate duplicates Z: 22 10.407 1.682 0.279 0.471 1.000 0.667 CB 1.087 Z: 17 25.116 1.955 0.856 0.935 1.000 0.938 CB 1.206 17 residues pruned to eliminate duplicates Z: 12 11.714 1.618 0.362 0.869 1.000 0.909 CB 1.171 7 residues pruned to eliminate duplicates Z: 20 14.639 1.768 0.437 0.872 1.000 0.842 CB 0.964 20 residues pruned to eliminate duplicates Z: 42 17.236 1.661 0.511 0.497 0.854 0.585 CB 1.260 15 residues pruned to eliminate duplicates Z: 21 25.712 1.881 0.775 0.877 0.950 0.800 CB 1.316 21 residues pruned to eliminate duplicates Z: 20 18.874 1.727 0.794 0.839 0.895 0.684 CB 1.166 20 residues pruned to eliminate duplicates Z: 23 18.858 1.801 0.719 0.845 0.909 0.773 CB 1.062 22 residues pruned to eliminate duplicates Z: 13 8.707 1.733 0.588 0.546 0.833 0.500 CB 1.049 10 residues pruned to eliminate duplicates Z: 17 18.920 1.756 0.724 0.911 1.000 0.625 CB 1.108 17 residues pruned to eliminate duplicates Z: 9 7.157 1.688 0.450 0.503 1.000 0.625 CB 1.031 9 residues pruned to eliminate duplicates Z: 23 33.145 1.905 1.014 0.853 1.000 0.682 CA 1.361 23 residues pruned to eliminate duplicates Z: 13 11.592 1.742 0.395 0.855 1.000 0.667 CB 1.016 13 residues pruned to eliminate duplicates Z: 13 13.546 1.618 1.090 0.732 1.000 0.667 CB 0.939 9 residues pruned to eliminate duplicates Z: 6 2.885 1.688 0.072 0.329 1.000 0.600 CB 0.860 Z: 6 9.595 1.662 0.578 0.836 1.000 0.600 CA 1.225 Z: 16 12.291 1.616 1.043 0.421 0.800 0.533 CB 1.305 Z: 9 9.531 1.708 0.846 0.650 0.750 0.750 CB 1.239 9 residues pruned to eliminate duplicates Z: 12 17.370 1.851 0.680 0.889 0.909 0.909 CA 1.334 12 residues pruned to eliminate duplicates Z: 14 16.749 1.821 0.719 0.826 0.923 0.846 CB 1.213 14 residues pruned to eliminate duplicates Z: 11 19.260 1.877 0.786 0.897 1.000 0.900 CA 1.301 10 residues pruned to eliminate duplicates Z: 8 12.494 1.740 0.954 0.782 1.000 0.714 CB 1.083 8 residues pruned to eliminate duplicates Z: 24 28.938 1.856 0.722 0.900 1.000 0.870 CA 1.348 24 residues pruned to eliminate duplicates Z: 7 10.022 1.709 0.599 0.626 1.000 0.500 CB 1.329 Z: 6 7.459 1.807 0.567 0.493 1.000 0.800 CB 1.187 8 residues pruned to eliminate duplicates Z: 6 3.696 1.605 0.374 0.486 0.800 0.800 CB 0.950 Z: 21 22.684 1.778 0.739 0.900 0.950 0.750 CA 1.233 21 residues pruned to eliminate duplicates Z: 32 14.087 1.614 0.735 0.368 0.903 0.452 CB 1.153 30 residues pruned to eliminate duplicates Z: 30 13.152 1.663 0.681 0.472 0.862 0.621 CB 1.043 Z: 14 11.068 1.623 0.386 0.800 0.923 0.846 CB 1.137 14 residues pruned to eliminate duplicates Z: 21 18.932 1.724 0.649 0.869 1.000 0.850 CB 1.088 19 residues pruned to eliminate duplicates Z: 12 15.583 1.828 0.717 0.874 0.909 0.909 CA 1.198 12 residues pruned to eliminate duplicates Z: 20 25.004 1.905 0.690 0.879 0.947 0.842 CA 1.364 20 residues pruned to eliminate duplicates Z: 18 19.983 1.988 0.690 0.511 1.000 0.529 CB 1.427 18 residues pruned to eliminate duplicates Z: 12 10.578 1.789 0.804 0.361 0.818 0.545 CB 1.402 13 residues pruned to eliminate duplicates Z: 41 24.936 1.836 0.845 0.522 0.925 0.500 CB 1.232 19 residues pruned to eliminate duplicates Z: 23 15.413 1.725 0.662 0.850 0.955 0.545 CB 0.889 17 residues pruned to eliminate duplicates Z: 12 10.677 1.914 0.632 0.369 0.818 0.273 CB 1.450 Z: 11 15.518 1.682 0.693 0.912 1.000 1.000 CB 1.221 11 residues pruned to eliminate duplicates Z: 10 15.746 1.596 0.911 0.870 1.000 0.556 N 1.257 11 residues pruned to eliminate duplicates Z: 13 3.426 1.569 0.364 0.258 0.750 0.333 CB 0.812 Z: 13 16.872 1.523 0.778 0.889 1.000 0.833 CA 1.295 11 residues pruned to eliminate duplicates Z: 7 3.290 1.512 -0.037 0.355 1.000 0.833 CB 1.079 6 residues pruned to eliminate duplicates Z: 17 6.731 1.597 0.773 0.378 0.688 0.375 CB 0.985 17 residues pruned to eliminate duplicates Z: 13 8.155 1.659 0.477 0.380 0.917 0.500 CB 1.191 12 residues pruned to eliminate duplicates Z: 22 15.863 1.806 0.627 0.827 0.905 0.524 CB 0.981 22 residues pruned to eliminate duplicates Z: 24 14.414 1.824 0.601 0.534 0.913 0.391 CB 1.091 29 residues pruned to eliminate duplicates Z: 12 17.903 1.883 0.775 0.872 0.909 0.818 CA 1.295 12 residues pruned to eliminate duplicates Z: 6 6.659 1.628 0.641 0.667 0.800 0.600 CB 1.194 6 residues pruned to eliminate duplicates Z: 31 17.419 1.808 0.655 0.669 0.933 0.633 CB 0.974 31 residues pruned to eliminate duplicates Z: 12 6.026 1.583 0.604 0.344 0.818 0.455 CB 1.036 12 residues pruned to eliminate duplicates Z: 7 4.953 1.453 0.720 0.472 0.833 0.500 N 0.999 Z: 21 18.070 1.762 0.682 0.841 0.950 0.600 CB 1.070 21 residues pruned to eliminate duplicates Z: 19 10.698 1.761 0.339 0.499 0.944 0.611 CB 1.133 17 residues pruned to eliminate duplicates Z: 6 5.175 1.399 1.046 0.395 1.000 0.600 CB 0.903 Z: 10 13.018 1.714 0.786 0.905 1.000 0.889 CB 1.009 10 residues pruned to eliminate duplicates Z: 11 16.229 1.916 0.546 0.902 1.000 0.900 CB 1.236 11 residues pruned to eliminate duplicates Z: 23 27.141 1.882 0.888 0.832 1.000 0.591 CB 1.223 23 residues pruned to eliminate duplicates Z: 6 2.051 2.005 0.274 0.246 0.800 0.400 CB 0.602 6 residues pruned to eliminate duplicates Z: 14 14.665 1.816 0.365 0.852 0.923 0.615 CB 1.314 14 residues pruned to eliminate duplicates Z: 9 9.331 1.760 0.858 0.593 0.875 0.375 CB 1.054 9 residues pruned to eliminate duplicates Z: 24 37.040 1.897 1.097 0.855 1.000 0.696 CA 1.433 24 residues pruned to eliminate duplicates Z: 10 7.423 1.624 0.554 0.408 0.889 0.556 CA 1.215 10 residues pruned to eliminate duplicates Z: 12 7.123 1.639 0.605 0.374 0.818 0.455 CB 1.142 Z: 24 12.206 1.683 0.628 0.361 0.913 0.478 CA 1.181 24 residues pruned to eliminate duplicates Z: 14 17.992 1.797 0.688 0.857 0.923 0.538 CB 1.313 14 residues pruned to eliminate duplicates Z: 18 17.064 1.787 0.606 0.922 0.941 0.824 CB 1.078 18 residues pruned to eliminate duplicates Z: 9 9.512 1.653 0.241 0.918 1.000 1.000 CA 1.156 9 residues pruned to eliminate duplicates Z: 10 9.625 1.745 0.807 0.899 1.000 0.889 CB 0.727 10 residues pruned to eliminate duplicates Z: 24 30.481 1.860 1.044 0.856 0.957 0.696 CB 1.289 24 residues pruned to eliminate duplicates Z: 10 5.106 1.619 0.700 0.356 0.667 0.556 CB 1.084 10 residues pruned to eliminate duplicates Z: 12 10.871 1.707 0.814 0.447 0.909 0.636 N 1.230 12 residues pruned to eliminate duplicates Z: 8 10.757 1.666 0.634 0.807 1.000 0.714 CA 1.143 7 residues pruned to eliminate duplicates Z: 6 3.897 1.488 0.406 0.693 0.800 0.400 CB 0.873 6 residues pruned to eliminate duplicates Z: 14 22.193 1.797 0.869 0.825 1.000 0.615 CA 1.383 14 residues pruned to eliminate duplicates Z: 11 16.375 1.990 0.370 0.873 1.000 0.800 CB 1.383 11 residues pruned to eliminate duplicates Z: 22 24.485 1.843 0.983 0.868 0.952 0.619 CB 1.122 22 residues pruned to eliminate duplicates Z: 23 26.318 1.889 0.552 0.857 1.000 0.909 CA 1.410 23 residues pruned to eliminate duplicates Z: 10 9.144 1.632 0.178 0.812 0.889 0.778 CB 1.359 10 residues pruned to eliminate duplicates Z: 13 12.136 1.772 0.687 0.809 0.917 0.750 CB 0.977 13 residues pruned to eliminate duplicates Z: 13 19.993 1.808 0.794 0.880 0.917 0.750 CA 1.406 13 residues pruned to eliminate duplicates Z: 6 4.137 1.627 0.087 0.656 0.800 0.800 CB 1.131 6 residues pruned to eliminate duplicates Z: 7 2.448 1.418 0.579 0.294 0.667 0.333 CB 0.843 Z: 16 10.560 1.766 0.722 0.362 0.933 0.600 CB 1.115 11 residues pruned to eliminate duplicates Z: 8 7.813 1.592 0.682 0.672 0.857 0.714 CA 1.097 Z: 14 12.189 1.572 0.542 0.868 1.000 0.769 CB 1.020 14 residues pruned to eliminate duplicates Z: 14 15.394 1.659 0.785 0.846 1.000 0.846 CA 1.071 12 residues pruned to eliminate duplicates Z: 12 18.821 1.896 0.695 0.868 1.000 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 23 29.942 1.865 0.882 0.849 1.000 0.727 CA 1.348 23 residues pruned to eliminate duplicates Z: 11 10.110 1.526 0.543 0.713 1.000 0.700 CB 1.119 Z: 18 16.019 1.759 0.604 0.876 0.882 0.706 CB 1.134 18 residues pruned to eliminate duplicates Z: 12 14.265 1.729 0.810 0.906 1.000 0.909 CB 0.978 13 residues pruned to eliminate duplicates Z: 10 15.546 1.847 0.847 0.922 1.000 0.667 CB 1.068 10 residues pruned to eliminate duplicates Z: 15 11.703 1.771 0.580 0.432 0.929 0.429 CA 1.292 15 residues pruned to eliminate duplicates Z: 27 26.071 1.885 0.950 0.541 0.923 0.577 CB 1.447 27 residues pruned to eliminate duplicates Z: 13 17.208 1.705 0.831 0.791 0.917 0.583 CB 1.345 13 residues pruned to eliminate duplicates Z: 33 17.004 1.703 0.711 0.527 0.938 0.562 CB 1.072 30 residues pruned to eliminate duplicates Z: 17 10.433 1.694 0.410 0.483 0.938 0.500 CB 1.185 6 residues pruned to eliminate duplicates Z: 6 3.121 1.505 0.527 0.242 0.800 0.600 CA 1.023 Z: 33 13.188 1.745 0.672 0.369 0.812 0.594 CB 1.132 41 residues pruned to eliminate duplicates Z: 32 25.586 1.915 0.810 0.525 0.903 0.677 CB 1.432 32 residues pruned to eliminate duplicates Z: 14 20.461 1.861 0.897 0.794 0.846 0.692 CA 1.468 14 residues pruned to eliminate duplicates Z: 16 20.027 1.718 0.902 0.702 0.933 0.733 CB 1.411 16 residues pruned to eliminate duplicates Z: 9 6.483 1.571 0.190 0.569 1.000 0.500 CB 1.147 Z: 23 20.200 1.880 0.781 0.871 1.000 0.727 CB 0.938 23 residues pruned to eliminate duplicates Z: 36 21.369 1.844 0.623 0.538 0.886 0.686 CA 1.312 22 residues pruned to eliminate duplicates Z: 12 16.331 1.893 0.457 0.912 1.000 1.000 CA 1.263 12 residues pruned to eliminate duplicates Z: 7 4.384 1.606 0.501 0.554 0.667 0.667 CA 1.056 Z: 24 28.367 1.864 0.720 0.831 1.000 0.696 CA 1.386 24 residues pruned to eliminate duplicates Z: 13 15.342 1.724 0.618 0.820 1.000 0.917 CA 1.202 13 residues pruned to eliminate duplicates Z: 8 8.524 1.706 0.672 0.675 0.857 0.429 CA 1.122 8 residues pruned to eliminate duplicates Z: 7 2.027 1.479 0.535 0.291 0.500 0.500 CB 0.922 Z: 38 19.419 1.846 0.819 0.474 0.838 0.486 CB 1.165 38 residues pruned to eliminate duplicates Z: 13 15.796 1.795 0.400 0.933 1.000 1.000 CB 1.266 13 residues pruned to eliminate duplicates Z: 9 8.067 1.733 0.225 0.639 0.875 0.750 N 1.347 5 residues pruned to eliminate duplicates 6 1.494 1.506 0.349 0.483 0.800 0.600 N 0.418 ? Z: 23 30.823 1.889 0.983 0.859 0.955 0.727 CB 1.352 23 residues pruned to eliminate duplicates Z: 34 20.351 1.808 0.589 0.601 0.879 0.818 CB 1.275 34 residues pruned to eliminate duplicates Z: 9 8.773 1.825 0.743 0.566 0.875 0.500 CB 1.045 Z: 7 6.608 1.749 0.505 0.784 1.000 0.667 CB 0.798 7 residues pruned to eliminate duplicates Z: 18 15.197 1.700 0.361 0.903 1.000 0.765 CB 1.135 18 residues pruned to eliminate duplicates Z: 26 8.464 1.553 0.552 0.344 0.800 0.640 CB 1.039 24 residues pruned to eliminate duplicates Z: 8 7.882 1.726 0.430 0.445 0.857 0.571 CA 1.491 10 residues pruned to eliminate duplicates Z: 15 9.512 1.683 0.525 0.362 0.857 0.429 CA 1.340 9 residues pruned to eliminate duplicates Z: 13 17.571 1.711 0.828 0.807 0.917 0.750 CA 1.353 14 residues pruned to eliminate duplicates Z: 11 15.833 1.734 0.839 0.894 1.000 0.800 CB 1.126 11 residues pruned to eliminate duplicates Z: 25 9.745 1.625 0.914 0.258 0.833 0.458 CB 1.012 21 residues pruned to eliminate duplicates Z: 22 24.338 1.857 0.761 0.873 0.905 0.429 CB 1.307 22 residues pruned to eliminate duplicates Z: 20 13.108 1.841 0.624 0.416 0.842 0.474 N 1.304 20 residues pruned to eliminate duplicates Z: 6 7.058 1.545 0.678 0.757 0.800 0.400 CB 1.211 6 residues pruned to eliminate duplicates Z: 14 6.234 1.637 0.431 0.264 0.846 0.692 CB 1.142 6 residues pruned to eliminate duplicates Z: 27 19.769 1.771 0.683 0.670 0.923 0.615 CA 1.204 20 residues pruned to eliminate duplicates Z: 16 9.596 1.686 0.646 0.319 0.867 0.333 CB 1.259 12 residues pruned to eliminate duplicates Z: 18 19.956 1.728 0.576 0.880 1.000 0.706 CB 1.288 18 residues pruned to eliminate duplicates Z: 8 7.904 1.636 0.777 0.468 0.857 0.429 CA 1.238 8 residues pruned to eliminate duplicates Z: 12 19.121 1.863 0.704 0.907 1.000 0.909 CA 1.291 12 residues pruned to eliminate duplicates Z: 12 14.541 1.762 0.749 0.848 0.909 0.818 CB 1.160 12 residues pruned to eliminate duplicates Z: 6 8.773 1.569 1.139 0.472 1.000 0.600 CB 1.203 7 residues pruned to eliminate duplicates Z: 12 20.181 1.909 0.765 0.850 1.000 0.545 CA 1.337 12 residues pruned to eliminate duplicates Z: 50 21.979 1.780 0.751 0.471 0.837 0.429 CB 1.240 31 residues pruned to eliminate duplicates Z: 10 14.881 1.625 0.862 0.902 1.000 0.778 CB 1.170 10 residues pruned to eliminate duplicates Z: 14 11.944 1.696 0.820 0.537 0.923 0.615 CA 1.121 14 residues pruned to eliminate duplicates Z: 23 21.413 1.749 0.909 0.850 0.909 0.455 CB 1.114 23 residues pruned to eliminate duplicates Z: 21 21.238 1.866 0.745 0.889 1.000 0.750 CB 1.050 22 residues pruned to eliminate duplicates Z: 9 5.169 1.372 0.526 0.564 0.750 0.625 CB 1.093 Z: 10 15.568 1.782 0.763 0.908 1.000 0.889 CB 1.173 10 residues pruned to eliminate duplicates Z: 14 16.751 1.683 0.857 0.852 1.000 0.692 CB 1.100 14 residues pruned to eliminate duplicates Z: 14 12.530 1.737 0.455 0.812 1.000 0.615 CB 1.048 14 residues pruned to eliminate duplicates Z: 6 5.312 1.573 0.488 0.403 0.800 0.400 CA 1.404 6 residues pruned to eliminate duplicates 7 1.343 1.505 0.193 0.230 0.667 0.500 CB 0.628 ? Z: 13 23.129 1.837 0.801 0.871 1.000 0.333 CA 1.471 13 residues pruned to eliminate duplicates Z: 7 2.591 1.507 0.564 0.203 0.833 0.500 CB 0.766 Z: 13 16.012 1.716 0.923 0.818 0.917 0.667 CB 1.159 13 residues pruned to eliminate duplicates Z: 6 7.650 1.619 0.494 0.644 1.000 0.400 CA 1.236 Z: 13 7.883 1.626 0.594 0.433 0.917 0.583 CB 1.027 13 residues pruned to eliminate duplicates Z: 16 10.287 1.786 0.359 0.346 0.933 0.400 CB 1.385 16 residues pruned to eliminate duplicates Z: 9 5.896 1.687 0.991 0.241 0.750 0.500 N 1.117 7 residues pruned to eliminate duplicates Z: 13 10.755 1.643 0.844 0.702 0.833 0.583 CB 1.023 13 residues pruned to eliminate duplicates Z: 18 23.233 1.772 0.768 0.910 1.000 0.765 CB 1.275 18 residues pruned to eliminate duplicates Z: 13 22.341 1.825 0.864 0.893 0.917 0.417 CB 1.484 13 residues pruned to eliminate duplicates Z: 22 17.800 1.749 0.813 0.777 0.857 0.524 CB 1.119 22 residues pruned to eliminate duplicates Z: 8 8.372 1.805 0.249 0.630 1.000 0.714 CB 1.242 8 residues pruned to eliminate duplicates Z: 22 24.576 1.830 1.158 0.872 1.000 0.619 CB 0.989 22 residues pruned to eliminate duplicates Z: 11 15.344 1.799 0.872 0.938 1.000 1.000 CB 1.002 11 residues pruned to eliminate duplicates Z: 6 5.069 1.505 0.347 0.826 1.000 0.600 CB 0.844 Z: 18 18.607 1.710 0.716 0.915 1.000 0.882 CB 1.087 18 residues pruned to eliminate duplicates Z: 6 2.602 1.103 0.481 0.422 1.000 0.600 CB 0.773 Z: 7 4.510 1.605 0.936 0.716 0.500 0.500 CB 0.975 7 residues pruned to eliminate duplicates Z: 19 8.698 1.677 0.371 0.523 0.889 0.722 CB 0.981 11 residues pruned to eliminate duplicates Z: 9 7.723 1.671 0.597 0.507 0.875 0.500 CB 1.161 8 residues pruned to eliminate duplicates Z: 8 4.617 1.709 0.364 0.274 0.714 0.429 CB 1.353 7 residues pruned to eliminate duplicates Z: 10 14.195 1.682 0.530 0.811 1.000 0.667 CA 1.402 10 residues pruned to eliminate duplicates Z: 8 3.444 1.580 0.249 0.352 0.857 0.286 CB 0.903 Z: 7 2.469 1.392 0.270 0.246 0.833 0.833 CA 0.916 6 residues pruned to eliminate duplicates Z: 22 18.610 1.834 0.609 0.876 1.000 0.857 CB 1.000 22 residues pruned to eliminate duplicates Z: 7 3.852 1.438 0.309 0.796 0.833 0.833 CB 0.774 6 residues pruned to eliminate duplicates Z: 26 10.012 1.728 0.311 0.532 0.880 0.600 CB 0.974 26 residues pruned to eliminate duplicates Z: 22 16.070 1.849 0.425 0.871 1.000 0.714 CB 0.970 22 residues pruned to eliminate duplicates Z: 14 12.676 1.426 0.867 0.835 0.923 0.462 N 1.072 14 residues pruned to eliminate duplicates Z: 8 13.269 1.871 0.993 0.798 1.000 0.714 CB 1.036 8 residues pruned to eliminate duplicates Z: 8 6.437 1.658 0.053 0.754 0.857 0.714 CA 1.297 8 residues pruned to eliminate duplicates Z: 9 6.744 1.675 0.518 0.728 0.875 0.375 CB 0.873 9 residues pruned to eliminate duplicates Z: 13 10.591 1.582 0.263 0.878 1.000 0.833 CA 1.110 12 residues pruned to eliminate duplicates Z: 6 3.907 1.633 1.136 0.609 1.000 1.000 CB 0.452 6 residues pruned to eliminate duplicates Z: 7 2.670 1.306 0.766 0.281 0.833 0.667 CB 0.726 Z: 6 4.007 1.426 0.492 0.652 0.800 0.800 N 0.914 Z: 23 19.545 1.707 0.657 0.837 1.000 0.727 CB 1.102 23 residues pruned to eliminate duplicates Z: 16 6.939 1.782 0.364 0.440 0.800 0.400 CB 0.980 16 residues pruned to eliminate duplicates Z: 41 23.670 1.825 0.656 0.485 0.875 0.500 CA 1.436 42 residues pruned to eliminate duplicates Z: 7 3.128 1.394 0.171 0.432 0.833 0.500 CB 1.008 Z: 10 7.751 1.713 0.644 0.307 0.889 0.778 CB 1.279 10 residues pruned to eliminate duplicates Z: 12 13.462 1.647 0.328 0.887 1.000 0.818 CA 1.338 13 residues pruned to eliminate duplicates Z: 22 17.423 1.752 0.482 0.905 1.000 0.905 CB 1.042 22 residues pruned to eliminate duplicates Z: 7 4.887 1.591 0.517 0.731 0.833 0.833 CB 0.805 Z: 23 15.776 1.848 0.517 0.609 0.864 0.591 CB 1.252 23 residues pruned to eliminate duplicates Z: 12 7.574 1.723 0.512 0.708 0.818 0.727 CB 0.887 12 residues pruned to eliminate duplicates Z: 12 12.292 1.728 0.402 0.879 0.909 0.818 CB 1.220 12 residues pruned to eliminate duplicates Z: 7 8.255 1.534 0.871 0.767 1.000 0.833 CA 0.927 7 residues pruned to eliminate duplicates Z: 23 28.358 1.879 0.897 0.878 1.000 0.636 CB 1.231 23 residues pruned to eliminate duplicates Z: 11 6.829 1.591 0.524 0.404 0.900 0.800 CB 1.095 Z: 8 8.459 1.549 0.748 0.842 1.000 1.000 CB 0.880 8 residues pruned to eliminate duplicates Z: 37 17.960 1.798 0.652 0.474 0.861 0.611 CB 1.201 37 residues pruned to eliminate duplicates Z: 8 7.033 1.710 0.816 0.433 0.857 0.429 CB 1.070 Z: 34 24.077 1.821 0.851 0.550 0.939 0.545 CB 1.261 34 residues pruned to eliminate duplicates Z: 15 11.796 1.533 0.471 0.836 1.000 0.786 CB 1.047 15 residues pruned to eliminate duplicates Z: 13 4.997 1.643 0.227 0.290 0.833 0.583 CB 1.087 13 residues pruned to eliminate duplicates Z: 6 4.266 1.531 0.353 0.620 0.800 0.600 CB 1.028 Z: 9 5.815 1.593 0.722 0.492 0.875 0.750 CB 0.864 9 residues pruned to eliminate duplicates Z: 24 32.367 1.888 0.897 0.858 1.000 0.609 CB 1.388 24 residues pruned to eliminate duplicates Z: 7 13.465 1.770 0.770 0.767 1.000 1.000 CB 1.385 10 residues pruned to eliminate duplicates Z: 43 19.970 1.728 0.660 0.473 0.929 0.500 CB 1.189 43 residues pruned to eliminate duplicates Z: 13 12.942 1.826 0.286 0.893 1.000 0.917 CA 1.143 13 residues pruned to eliminate duplicates Z: 6 5.516 1.639 0.426 0.437 0.800 0.800 CA 1.407 6 residues pruned to eliminate duplicates Z: 10 5.717 1.556 0.590 0.363 0.889 0.667 CB 1.004 15 residues pruned to eliminate duplicates Z: 12 7.225 1.554 0.350 0.875 1.000 0.636 CB 0.756 11 residues pruned to eliminate duplicates Z: 6 4.053 1.626 0.273 0.372 0.800 0.600 CA 1.255 6 residues pruned to eliminate duplicates Z: 6 3.356 1.141 0.578 0.761 1.000 0.800 O 0.661 Z: 8 2.944 1.456 -0.113 0.451 0.857 0.571 O 1.057 8 residues pruned to eliminate duplicates Z: 9 6.233 1.508 0.481 0.724 0.875 0.500 CB 0.922 9 residues pruned to eliminate duplicates Z: 14 15.673 1.654 0.757 0.828 1.000 0.692 CB 1.126 14 residues pruned to eliminate duplicates Z: 32 13.159 1.632 0.631 0.392 0.839 0.645 CB 1.187 32 residues pruned to eliminate duplicates Z: 18 20.317 1.768 0.736 0.896 0.941 0.765 CB 1.222 18 residues pruned to eliminate duplicates Z: 32 15.002 1.748 0.887 0.415 0.839 0.452 CB 1.064 32 residues pruned to eliminate duplicates Z: 12 4.438 1.553 0.550 0.321 0.818 0.455 CB 0.828 Z: 32 17.071 1.699 0.426 0.566 0.935 0.548 CB 1.269 29 residues pruned to eliminate duplicates Z: 33 12.069 1.636 0.619 0.385 0.781 0.531 CB 1.165 33 residues pruned to eliminate duplicates Z: 12 8.763 1.659 0.723 0.420 0.909 0.636 N 1.106 Z: 16 20.277 1.718 1.126 0.781 0.933 0.733 CA 1.199 16 residues pruned to eliminate duplicates Z: 21 11.506 1.614 0.357 0.476 1.000 0.650 CB 1.204 16 residues pruned to eliminate duplicates Z: 16 14.401 1.713 0.820 0.723 0.933 0.733 CB 1.045 16 residues pruned to eliminate duplicates Z: 7 11.457 1.867 0.469 0.686 1.000 0.833 CB 1.438 7 residues pruned to eliminate duplicates Z: 29 18.585 1.738 0.685 0.529 0.893 0.679 CB 1.305 19 residues pruned to eliminate duplicates Z: 12 11.485 1.663 0.881 0.738 0.727 0.636 CB 1.230 12 residues pruned to eliminate duplicates Z: 11 11.529 1.988 0.472 0.474 0.900 0.400 CB 1.421 11 residues pruned to eliminate duplicates Z: 6 7.006 1.626 0.559 0.480 1.000 0.800 CB 1.261 Z: 30 21.974 1.817 0.790 0.514 0.897 0.724 CB 1.380 30 residues pruned to eliminate duplicates Z: 9 2.159 1.384 0.728 0.062 0.500 0.125 CB 1.135 Z: 14 12.482 1.690 0.714 0.798 0.923 0.692 CB 0.997 14 residues pruned to eliminate duplicates Z: 10 8.947 1.411 0.719 0.839 0.889 0.667 CB 1.033 9 residues pruned to eliminate duplicates Z: 23 16.655 1.809 0.673 0.494 0.909 0.682 CA 1.298 23 residues pruned to eliminate duplicates Z: 35 22.418 1.799 0.694 0.565 0.912 0.706 CB 1.299 35 residues pruned to eliminate duplicates Z: 37 16.192 1.712 0.662 0.373 0.861 0.472 CB 1.262 37 residues pruned to eliminate duplicates Z: 13 19.218 1.879 0.558 0.898 1.000 0.833 CA 1.355 13 residues pruned to eliminate duplicates Z: 11 5.408 1.331 0.290 0.705 1.000 0.600 CB 0.827 12 residues pruned to eliminate duplicates Z: 6 2.990 1.572 -0.195 0.536 1.000 0.000 CB 1.020 Z: 21 18.694 1.789 0.858 0.722 0.850 0.700 CB 1.211 21 residues pruned to eliminate duplicates Z: 7 4.187 1.596 0.239 0.513 0.833 0.500 CB 1.024 Z: 8 3.579 1.612 0.597 0.577 0.714 0.571 CB 0.683 7 residues pruned to eliminate duplicates Z: 35 16.608 1.785 0.426 0.580 0.912 0.676 CB 1.136 35 residues pruned to eliminate duplicates Z: 19 18.408 1.684 0.732 0.897 0.944 0.500 CA 1.127 19 residues pruned to eliminate duplicates Z: 18 20.480 1.838 0.700 0.652 1.000 0.529 CB 1.380 18 residues pruned to eliminate duplicates Z: 20 12.576 1.642 0.789 0.404 0.895 0.526 CB 1.215 20 residues pruned to eliminate duplicates Z: 6 5.064 1.558 0.711 0.699 1.000 0.600 CB 0.708 Z: 9 8.735 1.478 0.498 0.865 1.000 1.000 CB 1.022 9 residues pruned to eliminate duplicates Z: 9 4.761 1.690 0.278 0.381 0.750 0.625 N 1.180 Z: 15 12.562 1.639 0.517 0.732 0.857 0.786 CB 1.279 15 residues pruned to eliminate duplicates Z: 19 12.528 1.681 0.580 0.655 0.889 0.611 CB 1.083 19 residues pruned to eliminate duplicates Z: 25 9.936 1.692 0.669 0.323 0.750 0.583 CB 1.163 25 residues pruned to eliminate duplicates Z: 42 19.480 1.727 0.736 0.436 0.878 0.561 CB 1.235 41 residues pruned to eliminate duplicates Z: 11 11.844 1.742 0.812 0.479 0.900 0.600 CB 1.346 11 residues pruned to eliminate duplicates Z: 8 6.181 1.690 0.884 0.550 0.714 0.286 CB 0.978 Z: 8 5.928 1.544 0.619 0.472 0.857 0.714 CB 1.076 Z: 15 15.694 1.637 0.890 0.747 0.929 0.786 CA 1.170 15 residues pruned to eliminate duplicates Z: 6 2.542 1.259 0.952 0.351 0.600 0.400 CB 0.907 Z: 6 6.810 1.637 0.338 0.825 1.000 0.800 CA 1.049 12 residues pruned to eliminate duplicates Z: 12 15.519 1.738 0.944 0.847 1.000 0.545 CB 1.027 11 residues pruned to eliminate duplicates Z: 12 3.940 1.388 0.237 0.667 0.727 0.545 CB 0.816 14 residues pruned to eliminate duplicates Z: 13 15.502 1.833 0.868 0.850 0.833 0.500 CB 1.162 13 residues pruned to eliminate duplicates Z: 6 8.168 1.886 0.481 0.810 0.800 0.800 CB 1.248 6 residues pruned to eliminate duplicates Z: 9 3.077 1.436 0.407 0.764 0.875 0.625 CB 0.487 Z: 22 12.510 1.742 0.633 0.872 0.905 0.714 CB 0.773 22 residues pruned to eliminate duplicates Z: 6 2.783 1.603 0.300 0.675 0.800 0.800 CB 0.636 Z: 7 6.014 1.577 0.742 0.562 1.000 0.333 CA 0.841 6 residues pruned to eliminate duplicates Z: 13 10.016 1.618 0.411 0.740 0.917 0.667 CB 1.115 Z: 11 14.531 1.945 0.417 0.933 1.000 0.900 CB 1.164 11 residues pruned to eliminate duplicates Z: 24 30.699 1.839 0.843 0.889 1.000 0.783 CA 1.360 24 residues pruned to eliminate duplicates Z: 13 7.856 1.767 0.461 0.271 0.833 0.333 CB 1.367 Z: 17 23.974 1.773 0.926 0.916 0.938 0.750 CB 1.322 17 residues pruned to eliminate duplicates Z: 28 9.996 1.702 0.563 0.360 0.741 0.481 CB 1.135 28 residues pruned to eliminate duplicates 6 0.840 1.267 -0.017 0.450 0.800 0.400 CB 0.397 ? Z: 6 3.418 1.575 -0.287 0.881 1.000 1.000 CB 0.985 6 residues pruned to eliminate duplicates Z: 16 18.882 1.748 0.782 0.909 1.000 0.733 CB 1.110 16 residues pruned to eliminate duplicates Z: 9 4.034 1.562 0.196 0.453 0.750 0.375 CB 1.068 Z: 13 14.281 1.713 0.717 0.890 1.000 0.917 CB 1.008 14 residues pruned to eliminate duplicates Z: 8 6.825 1.771 0.597 0.413 0.714 0.429 CB 1.399 9 residues pruned to eliminate duplicates Z: 7 6.619 1.326 0.476 0.893 1.000 0.833 CB 0.991 6 residues pruned to eliminate duplicates Z: 15 10.069 1.707 0.570 0.423 0.929 0.643 CB 1.172 15 residues pruned to eliminate duplicates Z: 7 11.134 1.691 0.702 0.672 1.000 0.833 CB 1.348 7 residues pruned to eliminate duplicates Z: 9 4.284 1.652 0.714 0.282 0.750 0.375 CB 0.912 7 residues pruned to eliminate duplicates Z: 19 9.362 1.935 0.419 0.354 0.722 0.111 CB 1.302 19 residues pruned to eliminate duplicates Z: 6 3.113 1.495 0.013 0.468 0.800 0.600 O 1.187 Z: 21 10.628 1.702 0.622 0.331 0.800 0.500 CB 1.294 21 residues pruned to eliminate duplicates Z: 8 5.877 1.540 0.550 0.292 0.857 0.714 N 1.370 8 residues pruned to eliminate duplicates Z: 10 14.602 1.847 0.876 0.831 0.889 0.778 CB 1.188 10 residues pruned to eliminate duplicates Z: 10 5.610 1.552 0.602 0.377 0.889 0.556 CB 0.965 Z: 23 19.014 1.727 0.898 0.848 0.909 0.636 CB 1.010 23 residues pruned to eliminate duplicates Z: 12 13.103 1.723 0.791 0.842 1.000 0.636 CB 0.954 12 residues pruned to eliminate duplicates Z: 11 13.122 1.709 1.169 0.507 0.900 0.700 CB 1.235 11 residues pruned to eliminate duplicates Z: 6 6.090 1.788 0.232 0.582 1.000 0.800 CB 1.144 Z: 10 6.128 1.377 0.298 0.818 1.000 0.778 CB 0.868 10 residues pruned to eliminate duplicates Z: 12 6.896 1.728 0.922 0.376 0.818 0.273 CB 0.874 8 residues pruned to eliminate duplicates Z: 46 19.894 1.746 0.647 0.536 0.956 0.689 CB 1.042 46 residues pruned to eliminate duplicates Z: 22 12.283 1.740 0.484 0.504 0.905 0.762 CB 1.142 22 residues pruned to eliminate duplicates Z: 8 6.694 1.509 0.068 0.901 1.000 0.857 CB 1.120 8 residues pruned to eliminate duplicates Z: 14 15.473 1.637 0.608 0.829 1.000 0.846 CA 1.227 14 residues pruned to eliminate duplicates Z: 23 18.984 1.651 0.558 0.872 1.000 0.773 CA 1.147 20 residues pruned to eliminate duplicates Z: 7 3.402 1.378 0.327 0.800 1.000 0.833 CB 0.584 Z: 39 28.720 1.860 0.836 0.521 0.947 0.658 CB 1.410 39 residues pruned to eliminate duplicates Z: 30 14.611 1.774 0.251 0.602 0.931 0.690 CB 1.193 30 residues pruned to eliminate duplicates Z: 19 21.636 1.800 0.822 0.672 0.944 0.722 CB 1.406 19 residues pruned to eliminate duplicates Z: 16 10.375 1.780 0.620 0.403 0.800 0.533 N 1.286 16 residues pruned to eliminate duplicates Z: 23 9.057 1.586 0.758 0.174 0.864 0.409 CB 1.190 23 residues pruned to eliminate duplicates Z: 14 10.317 1.569 0.595 0.873 0.846 0.462 CB 0.984 14 residues pruned to eliminate duplicates Z: 13 9.483 1.626 0.190 0.880 0.917 0.750 CB 1.118 13 residues pruned to eliminate duplicates Z: 20 8.909 1.707 0.309 0.402 0.842 0.368 CB 1.204 21 residues pruned to eliminate duplicates Z: 14 13.039 1.603 0.461 0.847 1.000 0.769 CA 1.146 14 residues pruned to eliminate duplicates Z: 11 12.429 1.672 0.563 0.907 1.000 0.800 CB 1.069 11 residues pruned to eliminate duplicates Z: 13 17.882 1.739 0.792 0.891 0.917 0.917 CA 1.299 13 residues pruned to eliminate duplicates Z: 9 5.572 1.517 -0.111 0.697 1.000 0.750 CA 1.220 9 residues pruned to eliminate duplicates Z: 17 20.521 1.754 0.725 0.927 1.000 0.812 CB 1.189 17 residues pruned to eliminate duplicates Z: 29 23.734 1.851 0.894 0.497 0.929 0.571 CB 1.383 29 residues pruned to eliminate duplicates Z: 10 12.140 1.664 1.103 0.639 0.889 0.667 CB 1.142 Z: 6 7.200 1.595 0.574 0.823 1.000 0.800 CA 0.970 6 residues pruned to eliminate duplicates 6 1.862 1.826 0.164 0.413 1.000 0.400 CB 0.429 ? Z: 17 4.140 1.285 0.387 0.225 0.750 0.375 CB 1.068 Z: 17 11.057 1.574 0.431 0.715 0.938 0.500 CB 1.077 17 residues pruned to eliminate duplicates Z: 13 5.995 1.403 0.321 0.475 0.917 0.250 CA 1.045 13 residues pruned to eliminate duplicates Z: 25 14.157 1.806 0.748 0.397 0.958 0.667 CB 1.065 26 residues pruned to eliminate duplicates Z: 9 7.252 1.740 0.367 0.655 1.000 0.500 CB 0.934 9 residues pruned to eliminate duplicates Z: 29 22.703 1.833 0.923 0.523 0.857 0.536 CB 1.389 29 residues pruned to eliminate duplicates Z: 9 8.028 1.634 0.327 0.864 0.875 0.750 CB 1.096 9 residues pruned to eliminate duplicates Z: 8 8.334 1.675 0.724 0.535 0.857 0.571 CA 1.230 5 residues pruned to eliminate duplicates Z: 15 6.002 1.615 0.424 0.293 0.786 0.571 CB 1.120 15 residues pruned to eliminate duplicates Z: 8 5.363 1.563 0.497 0.521 0.857 0.429 CA 0.990 Z: 8 6.249 1.691 0.496 0.693 0.857 0.714 CB 0.913 8 residues pruned to eliminate duplicates Z: 6 3.876 1.608 0.270 0.479 0.800 0.600 N 1.084 Z: 19 11.055 1.872 0.513 0.437 0.722 0.444 CB 1.359 19 residues pruned to eliminate duplicates Z: 13 12.623 1.585 0.406 0.894 1.000 0.667 CB 1.173 13 residues pruned to eliminate duplicates Z: 10 5.756 1.643 0.413 0.317 0.889 0.556 CB 1.138 10 residues pruned to eliminate duplicates Z: 17 18.376 1.779 0.481 0.936 1.000 1.000 CB 1.214 17 residues pruned to eliminate duplicates Z: 13 13.375 1.573 1.201 0.909 1.000 0.917 CB 0.791 13 residues pruned to eliminate duplicates Z: 6 2.906 1.460 0.744 0.645 0.600 0.600 CB 0.743 Z: 10 8.991 1.704 0.608 0.557 0.889 0.667 CB 1.165 9 residues pruned to eliminate duplicates Z: 6 2.489 1.591 0.129 0.541 1.000 0.600 CB 0.595 Z: 10 7.603 1.536 0.252 0.759 0.889 0.778 CB 1.178 11 residues pruned to eliminate duplicates Z: 23 14.048 1.825 0.690 0.366 0.818 0.409 CA 1.370 23 residues pruned to eliminate duplicates Z: 15 5.185 1.491 0.610 0.172 0.857 0.429 CA 1.001 15 residues pruned to eliminate duplicates Z: 26 15.792 1.746 0.677 0.705 0.920 0.680 CB 0.973 22 residues pruned to eliminate duplicates Z: 6 4.116 1.370 0.284 0.526 1.000 0.600 CB 1.020 Z: 15 14.398 1.568 0.515 0.895 1.000 0.929 CA 1.161 16 residues pruned to eliminate duplicates Z: 10 4.579 1.341 0.621 0.341 0.778 0.444 O 1.074 10 residues pruned to eliminate duplicates Z: 7 4.277 1.572 0.944 0.652 0.833 0.500 CB 0.595 7 residues pruned to eliminate duplicates Z: 22 9.605 1.605 0.695 0.517 0.810 0.429 CB 0.935 22 residues pruned to eliminate duplicates Z: 12 7.614 1.370 0.462 0.849 0.909 0.818 CB 0.934 Z: 7 3.789 1.579 0.749 0.277 0.667 0.167 C 1.081 Z: 24 27.815 1.797 0.728 0.883 1.000 0.826 CA 1.351 24 residues pruned to eliminate duplicates Z: 11 10.088 1.718 0.069 0.874 1.000 0.700 CB 1.264 11 residues pruned to eliminate duplicates Z: 8 3.688 1.372 0.257 0.466 0.857 0.571 CB 0.976 Z: 11 10.549 1.534 0.591 0.765 0.900 0.600 CA 1.201 12 residues pruned to eliminate duplicates Z: 6 5.419 1.349 0.670 0.463 1.000 0.600 CA 1.117 Z: 15 9.375 1.762 0.615 0.354 0.857 0.571 CB 1.203 15 residues pruned to eliminate duplicates Z: 34 23.481 1.796 0.697 0.595 0.970 0.636 CB 1.263 34 residues pruned to eliminate duplicates Z: 7 3.132 1.383 0.117 0.700 1.000 0.667 CB 0.690 Z: 11 7.795 1.639 0.577 0.897 1.000 0.900 CB 0.683 10 residues pruned to eliminate duplicates Z: 12 8.102 1.604 1.096 0.474 0.636 0.545 CA 1.172 Z: 6 3.823 1.529 0.244 0.491 0.800 0.600 CA 1.133 Z: 26 22.124 1.790 0.801 0.574 0.960 0.560 CA 1.331 26 residues pruned to eliminate duplicates Z: 12 6.825 1.324 0.454 0.804 0.909 0.818 CB 0.901 12 residues pruned to eliminate duplicates Z: 6 2.723 1.242 0.818 0.289 0.800 0.400 CA 0.855 Z: 8 6.005 1.385 0.772 0.798 0.857 0.714 CB 0.832 Z: 12 4.694 1.477 0.191 0.386 0.909 0.545 N 0.999 8 residues pruned to eliminate duplicates Z: 23 25.196 1.959 0.985 0.652 0.955 0.727 CB 1.257 23 residues pruned to eliminate duplicates Z: 39 15.839 1.697 0.656 0.471 0.816 0.579 CB 1.154 39 residues pruned to eliminate duplicates Z: 12 5.767 1.536 0.592 0.272 0.818 0.455 CB 1.126 9 residues pruned to eliminate duplicates Z: 9 3.380 1.720 0.476 0.267 0.750 0.500 CB 0.819 9 residues pruned to eliminate duplicates Z: 11 11.764 1.731 0.747 0.590 0.900 0.800 CB 1.254 11 residues pruned to eliminate duplicates Z: 7 4.826 1.333 0.510 0.830 1.000 0.833 CB 0.736 Z: 18 5.107 1.413 0.096 0.260 0.941 0.353 N 1.119 18 residues pruned to eliminate duplicates Z: 7 5.299 1.710 0.468 0.381 0.833 0.500 CB 1.174 7 residues pruned to eliminate duplicates Z: 21 17.314 1.691 0.539 0.868 0.900 0.650 CB 1.209 21 residues pruned to eliminate duplicates Z: 8 9.802 1.836 0.713 0.607 0.857 0.714 CB 1.241 8 residues pruned to eliminate duplicates Z: 31 19.788 1.786 0.812 0.478 0.933 0.667 CB 1.224 31 residues pruned to eliminate duplicates Z: 14 6.515 1.642 0.517 0.274 0.769 0.308 CB 1.218 14 residues pruned to eliminate duplicates Z: 7 4.783 1.530 0.307 0.535 0.833 0.833 CA 1.133 7 residues pruned to eliminate duplicates Z: 9 4.542 1.611 0.341 0.224 0.875 0.375 CB 1.173 5 residues pruned to eliminate duplicates Z: 14 8.267 1.824 0.439 0.456 0.846 0.538 CB 1.079 14 residues pruned to eliminate duplicates Z: 9 6.248 1.666 0.605 0.308 0.875 0.375 CB 1.169 Z: 7 2.909 1.377 0.325 0.405 0.833 0.500 CB 0.863 7 residues pruned to eliminate duplicates Z: 12 4.931 1.502 0.330 0.263 0.909 0.455 CB 1.073 Z: 7 4.735 1.367 0.552 0.403 1.000 0.833 CB 1.009 Z: 32 15.751 1.735 0.412 0.551 0.903 0.710 CB 1.216 32 residues pruned to eliminate duplicates Z: 13 8.036 1.635 0.279 0.824 1.000 0.750 CB 0.838 13 residues pruned to eliminate duplicates Z: 6 2.958 1.612 0.242 0.391 0.800 0.400 CB 0.927 Z: 8 3.182 1.350 0.877 0.347 0.714 0.571 CB 0.785 Z: 8 9.634 1.594 0.691 0.873 1.000 0.857 CB 0.984 8 residues pruned to eliminate duplicates Z: 20 11.961 1.715 0.544 0.527 0.842 0.263 CB 1.198 20 residues pruned to eliminate duplicates Z: 13 10.880 1.642 0.724 0.781 0.750 0.417 CA 1.155 13 residues pruned to eliminate duplicates Z: 13 15.146 1.787 1.016 0.803 0.750 0.333 CB 1.242 13 residues pruned to eliminate duplicates Z: 9 11.953 1.657 1.150 0.484 1.000 0.875 CB 1.206 13 residues pruned to eliminate duplicates Z: 8 8.318 1.885 0.659 0.555 1.000 0.714 CB 0.953 4 residues pruned to eliminate duplicates Z: 6 4.595 1.459 0.319 0.490 1.000 1.000 CB 1.078 Z: 14 12.087 1.665 0.782 0.627 0.846 0.385 CB 1.185 14 residues pruned to eliminate duplicates Z: 11 9.043 1.556 0.883 0.468 0.900 0.600 CB 1.121 6 residues pruned to eliminate duplicates Z: 6 3.488 1.573 0.326 0.354 0.800 0.600 N 1.094 Z: 11 4.387 1.505 0.161 0.533 0.800 0.500 CB 0.961 11 residues pruned to eliminate duplicates 6 1.444 1.385 0.314 0.378 1.000 0.600 CB 0.404 ? Z: 13 18.279 1.716 0.771 0.890 1.000 0.750 CA 1.249 13 residues pruned to eliminate duplicates Z: 12 8.797 1.587 0.540 0.500 1.000 0.818 CA 1.086 Z: 9 4.815 1.408 0.603 0.634 0.875 0.500 CB 0.760 Z: 6 2.161 1.581 0.003 0.647 0.800 0.800 CB 0.664 6 residues pruned to eliminate duplicates Z: 6 2.765 1.479 0.094 0.807 1.000 0.600 CA 0.584 6 residues pruned to eliminate duplicates Z: 12 7.824 1.599 0.944 0.296 1.000 0.455 CB 0.953 12 residues pruned to eliminate duplicates Z: 26 16.411 1.737 0.768 0.533 0.920 0.600 CB 1.124 26 residues pruned to eliminate duplicates Z: 7 7.604 1.472 0.945 0.820 1.000 1.000 CA 0.822 7 residues pruned to eliminate duplicates Z: 10 15.896 1.761 0.705 0.841 1.000 0.889 CB 1.316 14 residues pruned to eliminate duplicates Z: 7 9.229 1.713 0.367 0.689 1.000 0.667 CB 1.354 Z: 6 7.374 1.678 0.659 0.750 0.800 0.400 CA 1.185 6 residues pruned to eliminate duplicates Z: 17 21.327 1.847 0.734 0.877 0.938 0.875 CB 1.289 17 residues pruned to eliminate duplicates Z: 9 9.457 1.978 0.411 0.585 0.875 0.375 CB 1.262 9 residues pruned to eliminate duplicates Z: 9 4.895 1.569 0.562 0.315 0.750 0.500 O 1.156 9 residues pruned to eliminate duplicates Z: 14 20.165 1.792 0.906 0.872 1.000 0.692 CA 1.193 14 residues pruned to eliminate duplicates Z: 9 9.704 1.488 0.480 0.872 1.000 0.875 CB 1.136 9 residues pruned to eliminate duplicates Z: 23 10.054 1.757 0.703 0.295 0.818 0.500 CB 1.102 23 residues pruned to eliminate duplicates Z: 26 11.432 1.712 0.467 0.445 0.880 0.520 CB 1.094 26 residues pruned to eliminate duplicates Z: 11 9.069 1.539 0.596 0.865 0.900 0.500 CB 0.951 10 residues pruned to eliminate duplicates Z: 7 3.152 1.278 0.552 0.353 0.833 0.667 CB 0.913 Z: 6 4.949 1.501 0.497 0.487 1.000 0.400 CB 0.997 Z: 7 3.561 1.195 0.786 0.705 1.000 0.500 CA 0.565 7 residues pruned to eliminate duplicates Z: 14 12.828 1.665 0.775 0.830 0.923 0.769 CB 0.980 14 residues pruned to eliminate duplicates Z: 21 7.533 1.677 0.669 0.285 0.900 0.500 CB 0.852 9 residues pruned to eliminate duplicates Z: 6 5.082 1.388 0.867 0.298 1.000 0.600 CB 1.098 Z: 14 12.466 1.672 0.335 0.879 0.923 0.846 CA 1.217 14 residues pruned to eliminate duplicates Z: 11 2.748 1.536 0.167 0.226 0.700 0.400 CA 0.953 11 residues pruned to eliminate duplicates Z: 13 8.019 1.614 0.275 0.829 1.000 0.750 CB 0.846 13 residues pruned to eliminate duplicates Z: 8 5.791 1.600 0.214 0.643 0.857 0.857 CB 1.150 Z: 13 14.365 1.808 0.563 0.909 1.000 0.667 CB 1.041 13 residues pruned to eliminate duplicates Z: 6 3.832 1.495 0.393 0.813 0.800 0.800 CB 0.783 6 residues pruned to eliminate duplicates Z: 19 14.574 1.711 0.339 0.860 1.000 0.833 CB 1.103 19 residues pruned to eliminate duplicates Z: 15 14.038 1.641 0.583 0.872 1.000 0.786 CB 1.053 15 residues pruned to eliminate duplicates Z: 23 13.382 1.635 0.835 0.540 0.864 0.591 CB 1.058 23 residues pruned to eliminate duplicates Z: 8 10.597 1.675 0.942 0.665 0.857 0.571 CA 1.233 Z: 7 7.274 1.576 0.671 0.625 0.833 0.667 N 1.202 7 residues pruned to eliminate duplicates Z: 10 8.240 1.542 0.518 0.858 0.889 0.778 CB 0.972 10 residues pruned to eliminate duplicates Z: 8 2.937 1.415 0.124 0.387 1.000 0.857 CB 0.788 Z: 9 3.408 1.448 0.438 0.373 0.750 0.500 CB 0.884 9 residues pruned to eliminate duplicates Z: 24 16.656 1.695 0.380 0.725 0.957 0.826 CA 1.267 16 residues pruned to eliminate duplicates Z: 46 21.798 1.715 0.727 0.546 0.867 0.600 CB 1.210 42 residues pruned to eliminate duplicates Z: 6 5.146 1.597 0.734 0.488 1.000 0.400 CB 0.841 Z: 10 5.507 1.501 0.177 0.483 1.000 0.667 CB 1.056 7 residues pruned to eliminate duplicates Z: 15 4.210 1.523 0.235 0.251 0.929 0.571 CB 0.858 15 residues pruned to eliminate duplicates Z: 10 5.654 1.485 0.278 0.754 0.889 0.778 CB 0.891 10 residues pruned to eliminate duplicates Z: 17 9.352 1.639 0.406 0.786 1.000 0.562 CB 0.788 17 residues pruned to eliminate duplicates Z: 10 6.382 1.774 0.346 0.298 0.778 0.333 CB 1.436 10 residues pruned to eliminate duplicates Z: 6 4.746 1.523 0.922 0.298 1.000 0.400 N 0.908 6 0.873 1.220 -0.062 0.296 0.600 0.600 N 0.714 ? Z: 6 3.830 1.525 0.563 0.618 0.800 0.600 CB 0.804 Z: 12 14.206 1.750 0.471 0.853 0.909 0.818 N 1.353 12 residues pruned to eliminate duplicates 6 1.908 1.231 0.529 0.296 0.800 0.400 N 0.712 ? Z: 42 20.835 1.768 0.711 0.471 0.829 0.488 CB 1.337 42 residues pruned to eliminate duplicates Z: 8 4.064 1.425 0.599 0.261 0.857 0.429 N 1.033 Z: 24 31.460 1.835 1.078 0.893 1.000 0.783 CA 1.235 24 residues pruned to eliminate duplicates Z: 13 13.555 1.662 0.782 0.873 0.833 0.750 CA 1.155 13 residues pruned to eliminate duplicates Z: 17 7.364 1.680 0.379 0.230 0.875 0.438 CA 1.243 15 residues pruned to eliminate duplicates Z: 12 3.693 1.454 0.568 0.389 0.636 0.364 CB 0.864 Z: 7 6.077 1.699 0.252 0.660 0.833 0.833 N 1.207 7 residues pruned to eliminate duplicates Z: 7 3.844 1.076 0.877 0.718 0.833 0.667 N 0.765 Z: 9 4.124 1.574 0.465 0.226 1.000 0.500 CB 0.871 9 residues pruned to eliminate duplicates Z: 15 6.924 1.544 0.446 0.463 0.786 0.357 CB 1.096 15 residues pruned to eliminate duplicates Z: 6 3.356 1.579 0.502 0.814 0.800 0.600 CB 0.602 6 residues pruned to eliminate duplicates Z: 11 7.064 1.483 0.343 0.883 1.000 0.900 CB 0.811 10 residues pruned to eliminate duplicates 6 1.862 1.316 0.488 0.537 0.800 0.800 CB 0.513 ? Z: 9 3.393 1.485 0.077 0.346 0.875 0.500 CB 1.013 Z: 12 10.944 1.555 0.576 0.858 0.909 0.727 CB 1.090 16 residues pruned to eliminate duplicates Z: 6 3.550 1.554 0.400 0.536 0.800 0.400 CB 0.880 6 residues pruned to eliminate duplicates Z: 7 3.580 1.235 0.565 0.412 0.833 0.500 CA 0.995 Z: 20 8.290 1.749 0.686 0.272 0.684 0.368 CB 1.220 20 residues pruned to eliminate duplicates Z: 8 12.001 1.903 0.609 0.668 1.000 0.714 CB 1.268 8 residues pruned to eliminate duplicates Z: 17 9.860 1.587 0.852 0.409 0.875 0.562 CB 1.054 17 residues pruned to eliminate duplicates Z: 8 4.282 1.483 0.027 0.608 0.857 0.571 CB 1.119 7 residues pruned to eliminate duplicates Z: 13 12.266 1.728 0.626 0.841 0.917 0.667 CB 1.026 13 residues pruned to eliminate duplicates Z: 8 3.310 1.437 0.553 0.352 0.714 0.714 CB 0.921 Z: 25 10.864 1.676 0.487 0.326 0.833 0.542 CA 1.292 25 residues pruned to eliminate duplicates Z: 9 2.499 1.452 0.413 0.368 0.875 0.375 CB 0.567 9 residues pruned to eliminate duplicates Z: 9 4.479 1.538 0.261 0.398 0.875 0.500 CA 1.039 9 residues pruned to eliminate duplicates Z: 8 2.921 1.596 0.465 0.268 0.714 0.429 C 0.861 8 residues pruned to eliminate duplicates Z: 14 16.615 1.755 0.447 0.886 1.000 0.769 CA 1.309 14 residues pruned to eliminate duplicates Z: 7 3.041 1.365 0.695 0.323 0.667 0.500 N 0.977 Z: 20 18.518 1.791 0.708 0.661 0.947 0.684 CB 1.263 21 residues pruned to eliminate duplicates Z: 15 7.968 1.623 0.590 0.377 0.786 0.429 CB 1.198 15 residues pruned to eliminate duplicates Z: 11 4.026 1.728 0.122 0.255 0.800 0.500 CB 1.087 Z: 29 13.712 1.656 0.573 0.499 0.857 0.643 CB 1.162 29 residues pruned to eliminate duplicates Z: 6 3.465 1.497 0.543 0.652 0.800 0.600 CB 0.728 Z: 23 15.932 1.722 0.919 0.480 0.864 0.500 CB 1.214 23 residues pruned to eliminate duplicates Z: 10 4.416 1.552 -0.108 0.580 0.889 0.667 CB 1.108 10 residues pruned to eliminate duplicates Z: 6 2.736 1.636 0.169 0.343 0.800 0.400 CB 0.948 6 residues pruned to eliminate duplicates Z: 12 3.067 1.399 0.258 0.161 1.000 0.364 CB 0.795 12 residues pruned to eliminate duplicates Z: 13 12.000 1.756 0.733 0.472 0.917 0.667 CA 1.277 13 residues pruned to eliminate duplicates Z: 7 4.065 1.207 0.956 0.873 1.000 0.833 CB 0.512 Z: 18 13.744 1.686 0.847 0.430 0.941 0.588 CA 1.223 18 residues pruned to eliminate duplicates Z: 12 13.716 1.729 0.640 0.910 0.909 0.818 CB 1.138 12 residues pruned to eliminate duplicates Z: 8 4.530 1.702 0.398 0.442 1.000 0.429 CB 0.764 Z: 13 6.906 1.621 0.534 0.632 0.667 0.583 CA 1.063 13 residues pruned to eliminate duplicates Z: 8 5.355 1.465 0.401 0.630 1.000 0.714 CB 0.873 9 residues pruned to eliminate duplicates Z: 22 13.959 1.674 0.561 0.852 0.952 0.667 CB 0.905 22 residues pruned to eliminate duplicates Z: 10 2.330 1.679 0.062 0.230 0.778 0.444 CB 0.767 10 residues pruned to eliminate duplicates Z: 16 3.854 1.525 0.346 0.235 0.733 0.333 CB 0.899 16 residues pruned to eliminate duplicates Z: 12 5.240 1.492 0.693 0.283 0.727 0.364 CB 1.098 6 residues pruned to eliminate duplicates Z: 7 2.048 1.298 0.339 0.249 0.667 0.167 CB 0.963 Z: 36 17.976 1.726 0.735 0.488 0.857 0.657 CB 1.199 36 residues pruned to eliminate duplicates Z: 21 10.205 1.634 0.743 0.316 0.900 0.550 CB 1.090 32 residues pruned to eliminate duplicates 6 1.683 1.589 0.339 0.100 0.600 0.600 N 0.983 ? Z: 18 19.135 1.733 0.785 0.914 1.000 0.824 CB 1.061 18 residues pruned to eliminate duplicates Z: 14 5.832 1.589 0.751 0.340 0.769 0.769 CB 0.899 14 residues pruned to eliminate duplicates Z: 9 9.175 1.749 0.401 0.616 0.875 0.750 CA 1.356 6 1.811 1.627 0.205 0.100 0.600 0.400 N 1.147 ? Z: 11 5.868 1.500 0.599 0.416 0.800 0.600 CB 1.056 11 residues pruned to eliminate duplicates Z: 6 5.445 1.579 0.367 0.652 0.800 0.400 CB 1.224 7 residues pruned to eliminate duplicates 7 1.519 1.257 0.099 0.219 0.833 0.500 N 0.749 ? Z: 9 4.325 1.714 0.066 0.406 0.875 0.250 CB 1.056 Z: 20 6.760 1.695 0.270 0.322 0.842 0.474 CB 1.042 20 residues pruned to eliminate duplicates Z: 6 2.637 1.450 0.603 0.460 0.600 0.400 CB 0.881 2 residues pruned to eliminate duplicates Z: 8 2.659 1.507 0.404 0.467 0.714 0.286 CB 0.688 Z: 17 12.796 1.686 0.695 0.795 0.875 0.750 CA 0.987 17 residues pruned to eliminate duplicates Z: 8 8.422 1.367 1.100 0.904 1.000 0.714 CB 0.790 7 residues pruned to eliminate duplicates Z: 14 9.964 1.807 0.672 0.492 0.769 0.385 CB 1.199 14 residues pruned to eliminate duplicates Z: 6 2.542 1.280 0.213 0.541 0.800 0.600 N 0.879 Z: 24 11.468 1.704 0.682 0.488 0.957 0.609 CB 0.883 22 residues pruned to eliminate duplicates Z: 15 4.216 1.519 0.302 0.369 0.571 0.500 N 1.148 15 residues pruned to eliminate duplicates Z: 7 8.619 1.388 0.733 0.824 1.000 0.500 CA 1.104 6 residues pruned to eliminate duplicates Z: 6 4.414 1.643 0.114 0.633 1.000 0.800 CB 0.952 Z: 6 7.416 1.588 0.844 0.398 1.000 0.600 CB 1.261 8 residues pruned to eliminate duplicates Z: 9 11.335 1.684 0.621 0.910 1.000 0.750 CB 1.041 9 residues pruned to eliminate duplicates Z: 12 8.042 1.693 0.677 0.443 0.727 0.636 CB 1.245 12 residues pruned to eliminate duplicates Z: 6 6.681 1.750 0.243 0.699 1.000 0.600 CB 1.145 2 residues pruned to eliminate duplicates Z: 10 4.737 1.843 0.200 0.422 1.000 0.444 CB 0.774 10 residues pruned to eliminate duplicates Z: 7 4.250 1.523 0.535 0.253 1.000 0.333 N 0.985 Z: 6 4.836 1.416 0.237 0.559 1.000 0.600 N 1.166 Z: 6 5.167 1.365 0.523 0.785 1.000 1.000 CA 0.865 Z: 9 7.026 1.433 0.732 0.858 1.000 0.875 CB 0.737 9 residues pruned to eliminate duplicates Z: 8 7.798 1.572 0.674 0.880 1.000 1.000 CA 0.812 8 residues pruned to eliminate duplicates Z: 15 6.196 1.581 0.404 0.495 0.857 0.500 CB 0.875 15 residues pruned to eliminate duplicates Z: 9 7.401 1.512 0.455 0.696 1.000 0.875 CA 0.994 Z: 6 2.359 1.211 0.746 0.428 0.800 0.600 CA 0.672 Z: 38 17.123 1.743 0.741 0.427 0.838 0.459 CB 1.195 38 residues pruned to eliminate duplicates Z: 6 4.435 1.564 0.517 0.831 0.800 0.800 CB 0.785 6 residues pruned to eliminate duplicates Z: 7 4.399 1.431 0.447 0.439 1.000 0.500 CB 0.924 Z: 11 6.580 1.590 0.193 0.769 0.900 0.700 CB 0.961 11 residues pruned to eliminate duplicates Z: 6 4.200 1.596 0.351 0.326 1.000 0.600 CB 1.054 Z: 21 9.811 1.513 0.573 0.772 0.800 0.650 CB 0.906 21 residues pruned to eliminate duplicates Z: 8 2.955 1.490 0.348 0.262 1.000 0.714 N 0.730 18 residues pruned to eliminate duplicates Z: 11 9.576 1.784 0.506 0.885 0.900 0.700 CB 0.905 11 residues pruned to eliminate duplicates Z: 13 13.193 1.657 0.727 0.747 1.000 0.750 CB 1.067 13 residues pruned to eliminate duplicates Z: 9 5.039 1.708 0.304 0.322 0.750 0.500 CB 1.297 9 residues pruned to eliminate duplicates 1083 residues left after pruning, divided into chains as follows: A: 12 B: 39 C: 24 D: 22 E: 43 F: 39 G: 40 H: 12 I: 15 J: 42 K: 8 L: 41 M: 11 N: 31 O: 7 P: 18 Q: 7 R: 7 S: 51 T: 28 U: 43 V: 27 W: 59 X: 35 Y: 6 Z: 8 Z: 6 Z: 9 Z: 10 Z: 12 Z: 35 Z: 31 Z: 8 Z: 24 Z: 19 Z: 41 Z: 7 Z: 35 Z: 47 Z: 7 Z: 8 Z: 8 Z: 16 Z: 28 Z: 27 Z: 30 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 33.71 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.494, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.593, Connect. = 0.765 for dens.mod. cycle 2 = 0.300, Contrast = 0.723, Connect. = 0.790 for dens.mod. cycle 3 = 0.300, Contrast = 0.747, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.767, Connect. = 0.795 for dens.mod. cycle 5 = 0.300, Contrast = 0.774, Connect. = 0.796 for dens.mod. cycle 6 = 0.300, Contrast = 0.781, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.783, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.786, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.787, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6080 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1392 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 8.344 1.747 0.517 0.377 0.737 0.421 CB 1.118 B: 12 28.051 2.045 1.002 0.895 1.000 0.909 CA 1.481 C: 42 35.581 2.068 0.982 0.547 0.927 0.512 CB 1.398 D: 12 17.233 2.033 0.482 0.882 1.000 0.909 CA 1.248 E: 11 21.345 1.976 1.034 0.902 1.000 0.700 CB 1.198 F: 23 31.995 2.010 0.984 0.842 0.909 0.636 CB 1.402 G: 12 23.849 2.180 0.689 0.908 1.000 1.000 CA 1.386 12 residues pruned to eliminate duplicates H: 23 28.970 2.049 0.619 0.887 1.000 0.909 CA 1.343 I: 26 19.169 1.883 0.611 0.593 0.960 0.600 CB 1.205 J: 11 29.374 2.076 1.004 0.909 1.000 1.000 CA 1.584 K: 15 11.314 1.960 0.399 0.533 0.929 0.500 CB 1.150 L: 12 15.599 1.907 0.668 0.916 0.909 0.818 CB 1.149 12 residues pruned to eliminate duplicates M: 12 24.749 2.136 0.768 0.824 1.000 0.818 CA 1.492 12 residues pruned to eliminate duplicates N: 13 15.677 1.875 0.634 0.844 0.917 0.833 CB 1.200 13 residues pruned to eliminate duplicates O: 12 25.449 2.089 0.841 0.875 1.000 0.909 CA 1.451 12 residues pruned to eliminate duplicates P: 24 30.817 1.966 0.875 0.866 0.957 0.609 CA 1.334 23 residues pruned to eliminate duplicates Q: 13 22.536 1.968 1.028 0.870 1.000 0.833 CA 1.190 13 residues pruned to eliminate duplicates R: 14 23.084 1.928 0.795 0.869 1.000 1.000 CA 1.351 S: 10 6.269 1.858 0.324 0.351 0.889 0.556 CB 1.124 T: 14 22.225 1.996 0.600 0.837 1.000 0.692 CA 1.443 14 residues pruned to eliminate duplicates U: 12 12.731 1.868 0.574 0.846 1.000 0.727 CB 0.970 V: 13 25.891 2.065 1.091 0.825 0.917 0.750 CA 1.424 13 residues pruned to eliminate duplicates W: 15 24.171 1.924 0.765 0.850 1.000 0.857 CA 1.409 14 residues pruned to eliminate duplicates X: 11 20.027 1.963 0.911 0.922 1.000 0.700 CB 1.188 11 residues pruned to eliminate duplicates Y: 23 27.739 2.028 0.597 0.881 0.955 0.818 CA 1.385 23 residues pruned to eliminate duplicates Z: 13 17.834 1.998 0.646 0.840 1.000 0.750 CB 1.169 12 residues pruned to eliminate duplicates Z: 12 23.799 1.987 1.153 0.854 1.000 0.636 CB 1.238 Z: 13 18.066 1.977 0.952 0.789 0.917 0.583 CB 1.144 13 residues pruned to eliminate duplicates Z: 14 23.273 1.862 0.977 0.908 1.000 0.923 CA 1.246 14 residues pruned to eliminate duplicates Z: 13 28.064 2.067 0.862 0.891 0.917 0.750 CB 1.651 14 residues pruned to eliminate duplicates Z: 11 22.714 2.013 1.014 0.769 1.000 0.600 CA 1.396 Z: 11 10.144 1.846 0.538 0.902 1.000 0.900 CB 0.806 Z: 13 18.167 1.985 0.680 0.808 0.917 0.750 CA 1.311 Z: 12 25.945 2.098 0.863 0.879 1.000 0.818 CA 1.452 12 residues pruned to eliminate duplicates Z: 23 25.876 2.032 0.414 0.894 1.000 0.909 CA 1.377 23 residues pruned to eliminate duplicates Z: 12 24.189 2.101 0.990 0.861 0.909 0.636 CA 1.410 11 residues pruned to eliminate duplicates Z: 34 28.035 1.997 0.737 0.670 0.879 0.758 CB 1.368 24 residues pruned to eliminate duplicates Z: 44 32.465 1.972 0.896 0.509 0.977 0.581 CB 1.344 44 residues pruned to eliminate duplicates Z: 23 27.853 2.060 0.699 0.855 0.955 0.682 CB 1.312 23 residues pruned to eliminate duplicates Z: 14 23.082 1.950 0.858 0.777 0.923 0.462 CA 1.498 14 residues pruned to eliminate duplicates Z: 13 18.637 2.015 0.793 0.860 0.917 0.833 CA 1.195 13 residues pruned to eliminate duplicates Z: 23 22.743 2.040 0.324 0.857 1.000 0.909 CA 1.324 23 residues pruned to eliminate duplicates Z: 48 29.935 1.982 0.659 0.554 0.894 0.574 CB 1.409 14 residues pruned to eliminate duplicates Z: 11 20.070 1.741 0.924 0.814 1.000 0.700 N 1.442 Z: 14 15.370 1.814 0.335 0.860 1.000 0.923 CA 1.295 Z: 15 18.755 1.859 0.671 0.848 0.929 0.786 CA 1.289 15 residues pruned to eliminate duplicates Z: 9 10.477 1.922 0.916 0.466 0.750 0.500 CA 1.389 Z: 11 12.456 2.031 0.208 0.888 1.000 1.000 CA 1.156 11 residues pruned to eliminate duplicates Z: 13 17.443 1.917 0.743 0.866 1.000 0.750 CB 1.103 13 residues pruned to eliminate duplicates Z: 41 38.929 2.122 0.952 0.497 0.950 0.525 CB 1.570 12 residues pruned to eliminate duplicates Z: 12 17.896 2.035 0.436 0.854 1.000 0.818 CA 1.364 12 residues pruned to eliminate duplicates Z: 18 12.746 1.953 0.567 0.343 0.824 0.647 CB 1.455 Z: 12 26.006 2.090 0.980 0.866 1.000 0.818 CA 1.387 12 residues pruned to eliminate duplicates Z: 12 20.562 2.094 0.606 0.897 1.000 0.909 CA 1.320 12 residues pruned to eliminate duplicates Z: 22 27.034 1.998 0.556 0.879 1.000 0.667 CA 1.376 22 residues pruned to eliminate duplicates Z: 12 17.481 1.912 0.723 0.932 1.000 0.909 CB 1.118 Z: 7 8.044 1.865 0.954 0.390 0.667 0.500 CB 1.519 Z: 15 25.726 1.987 0.771 0.877 0.929 0.857 CA 1.528 15 residues pruned to eliminate duplicates Z: 15 24.839 1.958 0.769 0.868 0.929 0.929 CA 1.509 15 residues pruned to eliminate duplicates Z: 11 23.151 2.037 0.965 0.873 1.000 0.800 CA 1.332 11 residues pruned to eliminate duplicates Z: 25 29.235 1.921 0.761 0.851 1.000 0.708 CA 1.306 25 residues pruned to eliminate duplicates Z: 13 22.224 2.018 0.693 0.895 1.000 0.917 CA 1.346 13 residues pruned to eliminate duplicates Z: 14 15.409 1.565 0.534 0.827 1.000 0.769 O 1.342 Z: 12 33.369 2.123 1.147 0.919 1.000 0.909 CA 1.556 12 residues pruned to eliminate duplicates Z: 24 30.566 1.969 0.685 0.847 0.957 0.435 CB 1.491 Z: 12 20.152 1.889 0.501 0.864 1.000 0.909 CA 1.571 Z: 12 13.902 1.655 1.050 0.669 0.818 0.545 CA 1.293 12 residues pruned to eliminate duplicates Z: 13 25.359 2.070 0.880 0.858 1.000 0.917 CA 1.385 13 residues pruned to eliminate duplicates Z: 24 21.282 1.964 0.227 0.845 0.957 0.870 CA 1.432 24 residues pruned to eliminate duplicates Z: 24 31.228 1.997 0.771 0.887 0.957 0.783 CB 1.388 23 residues pruned to eliminate duplicates Z: 11 21.334 2.053 0.944 0.916 1.000 1.000 CB 1.194 11 residues pruned to eliminate duplicates Z: 12 15.429 1.813 0.759 0.874 1.000 0.818 CB 1.061 11 residues pruned to eliminate duplicates Z: 13 22.402 1.994 0.781 0.824 0.917 0.833 CA 1.501 13 residues pruned to eliminate duplicates Z: 11 13.174 1.890 0.677 0.926 1.000 0.900 CB 0.922 11 residues pruned to eliminate duplicates Z: 22 35.339 2.105 0.990 0.892 1.000 0.619 CB 1.322 23 residues pruned to eliminate duplicates Z: 20 29.447 2.060 0.791 0.887 1.000 0.789 CA 1.320 Z: 15 13.739 1.986 0.505 0.495 0.786 0.571 CA 1.572 Z: 13 20.284 1.958 0.580 0.869 1.000 0.833 CA 1.383 13 residues pruned to eliminate duplicates Z: 13 24.753 1.937 0.815 0.855 1.000 0.917 CA 1.500 13 residues pruned to eliminate duplicates Z: 25 25.645 1.864 0.868 0.834 0.917 0.583 CB 1.229 11 residues pruned to eliminate duplicates Z: 14 15.527 1.669 0.498 0.832 0.923 0.846 CB 1.401 13 residues pruned to eliminate duplicates Z: 14 15.108 1.766 0.888 0.778 0.846 0.615 CB 1.162 Z: 8 10.781 1.653 0.525 0.683 1.000 0.571 CA 1.367 8 residues pruned to eliminate duplicates Z: 15 20.669 1.787 0.836 0.824 1.000 0.857 CA 1.271 15 residues pruned to eliminate duplicates Z: 41 23.407 1.931 0.583 0.517 0.850 0.625 CB 1.401 12 residues pruned to eliminate duplicates Z: 22 30.409 2.049 0.616 0.887 1.000 0.857 CA 1.445 23 residues pruned to eliminate duplicates Z: 8 11.879 1.822 0.547 0.855 1.000 0.857 CB 1.176 Z: 11 11.737 1.998 0.348 0.863 0.900 0.900 CB 1.124 11 residues pruned to eliminate duplicates Z: 10 9.131 1.818 0.378 0.556 1.000 0.556 CB 1.151 10 residues pruned to eliminate duplicates Z: 12 23.895 2.056 0.732 0.886 1.000 0.909 CA 1.460 13 residues pruned to eliminate duplicates Z: 24 26.872 1.954 0.760 0.850 0.957 0.739 CB 1.262 24 residues pruned to eliminate duplicates Z: 12 13.660 1.912 0.434 0.662 1.000 0.909 CA 1.293 7 residues pruned to eliminate duplicates Z: 29 19.042 1.911 0.642 0.430 0.893 0.571 CB 1.382 Z: 30 19.537 1.902 0.793 0.375 0.931 0.517 CB 1.306 28 residues pruned to eliminate duplicates Z: 33 20.065 1.983 0.511 0.517 0.875 0.562 CB 1.330 14 residues pruned to eliminate duplicates Z: 13 26.792 2.057 1.083 0.902 1.000 0.833 CA 1.287 13 residues pruned to eliminate duplicates Z: 13 16.066 1.939 0.536 0.886 1.000 0.917 CA 1.124 13 residues pruned to eliminate duplicates Z: 9 9.389 1.910 0.154 0.628 1.000 0.750 CA 1.335 Z: 14 23.845 1.921 1.267 0.823 1.000 0.538 CA 1.148 14 residues pruned to eliminate duplicates Z: 20 29.796 2.008 0.872 0.903 0.947 0.684 CA 1.369 20 residues pruned to eliminate duplicates Z: 10 16.460 1.970 0.896 0.896 1.000 0.889 CB 1.052 10 residues pruned to eliminate duplicates Z: 12 20.582 1.969 0.413 0.894 1.000 0.909 CB 1.600 12 residues pruned to eliminate duplicates Z: 32 30.040 1.976 0.796 0.583 0.968 0.710 CB 1.451 12 residues pruned to eliminate duplicates Z: 9 11.211 1.734 0.769 0.811 1.000 0.500 CA 0.985 Z: 12 24.219 2.072 0.835 0.901 1.000 0.818 CA 1.371 12 residues pruned to eliminate duplicates Z: 11 13.207 1.868 0.750 0.853 1.000 0.800 CB 0.945 11 residues pruned to eliminate duplicates Z: 16 9.848 1.710 0.497 0.371 0.867 0.467 N 1.315 16 residues pruned to eliminate duplicates Z: 14 17.148 1.756 0.849 0.799 0.923 0.615 CB 1.222 14 residues pruned to eliminate duplicates Z: 21 26.816 1.930 0.649 0.892 0.950 0.900 CA 1.426 24 residues pruned to eliminate duplicates Z: 12 16.198 1.985 0.426 0.853 0.909 0.727 CA 1.403 Z: 14 24.241 1.804 0.809 0.904 1.000 0.769 CA 1.467 14 residues pruned to eliminate duplicates Z: 17 7.977 1.804 0.286 0.457 0.875 0.438 CB 1.026 17 residues pruned to eliminate duplicates Z: 23 23.565 2.015 0.363 0.843 0.955 0.773 CA 1.427 23 residues pruned to eliminate duplicates Z: 6 12.443 1.944 1.037 0.696 0.800 0.600 CB 1.469 Z: 11 20.509 1.934 0.568 0.892 0.900 0.800 CB 1.707 14 residues pruned to eliminate duplicates Z: 23 24.798 1.904 0.716 0.861 0.955 0.591 CB 1.246 Z: 13 18.362 1.916 0.938 0.910 0.833 0.667 CB 1.215 13 residues pruned to eliminate duplicates Z: 15 21.945 1.838 0.997 0.829 1.000 0.786 CA 1.203 15 residues pruned to eliminate duplicates Z: 14 19.555 1.897 0.874 0.868 0.923 0.615 CB 1.208 12 residues pruned to eliminate duplicates Z: 14 23.801 1.932 0.800 0.845 1.000 0.692 CA 1.411 14 residues pruned to eliminate duplicates Z: 12 21.228 1.967 0.673 0.940 1.000 0.909 CA 1.351 11 residues pruned to eliminate duplicates Z: 12 14.978 1.730 0.474 0.878 1.000 1.000 CA 1.285 12 residues pruned to eliminate duplicates Z: 42 26.006 1.858 0.697 0.604 0.902 0.634 CB 1.293 31 residues pruned to eliminate duplicates Z: 8 6.388 1.935 0.529 0.471 0.714 0.429 CB 1.177 8 residues pruned to eliminate duplicates Z: 13 18.832 1.978 0.750 0.824 0.917 0.750 CA 1.294 13 residues pruned to eliminate duplicates Z: 9 7.500 1.673 0.769 0.552 0.875 0.375 CB 0.973 9 residues pruned to eliminate duplicates Z: 16 15.168 1.903 0.610 0.509 0.933 0.333 CB 1.358 Z: 12 14.770 1.921 0.381 0.922 1.000 1.000 CB 1.181 12 residues pruned to eliminate duplicates Z: 36 23.372 1.808 0.564 0.664 0.943 0.714 CB 1.273 23 residues pruned to eliminate duplicates Z: 12 6.099 1.769 0.303 0.298 0.909 0.364 CB 1.100 8 residues pruned to eliminate duplicates Z: 15 24.939 1.855 0.873 0.880 1.000 0.643 CA 1.390 15 residues pruned to eliminate duplicates Z: 23 23.648 1.942 0.423 0.846 0.909 0.636 CB 1.491 23 residues pruned to eliminate duplicates Z: 23 32.631 1.953 1.055 0.872 0.955 0.545 CB 1.324 23 residues pruned to eliminate duplicates Z: 17 17.716 2.107 0.854 0.374 0.875 0.500 CB 1.481 11 residues pruned to eliminate duplicates Z: 6 2.976 1.760 0.453 0.554 0.800 0.800 CB 0.618 Z: 15 16.314 1.808 0.574 0.754 1.000 0.714 CA 1.222 15 residues pruned to eliminate duplicates Z: 6 6.521 1.607 0.548 0.405 1.000 0.600 CA 1.296 Z: 12 22.874 2.079 0.685 0.883 1.000 0.818 CA 1.423 12 residues pruned to eliminate duplicates Z: 17 12.232 1.811 0.433 0.559 0.938 0.562 CB 1.187 Z: 42 28.258 1.940 0.549 0.537 0.951 0.659 CB 1.488 41 residues pruned to eliminate duplicates Z: 41 40.205 2.122 0.944 0.528 0.975 0.475 CB 1.538 42 residues pruned to eliminate duplicates Z: 41 35.980 2.108 0.838 0.509 0.950 0.600 CB 1.532 26 residues pruned to eliminate duplicates Z: 29 17.508 1.944 0.686 0.323 0.893 0.500 CB 1.373 17 residues pruned to eliminate duplicates Z: 23 36.516 2.016 1.088 0.878 0.909 0.682 CA 1.476 25 residues pruned to eliminate duplicates Z: 40 23.543 1.929 0.692 0.507 0.872 0.615 CB 1.316 29 residues pruned to eliminate duplicates Z: 12 18.278 1.699 0.736 0.853 1.000 0.818 N 1.382 12 residues pruned to eliminate duplicates Z: 36 26.858 1.953 0.587 0.579 0.943 0.571 CA 1.440 36 residues pruned to eliminate duplicates Z: 24 30.255 1.916 0.986 0.832 0.957 0.652 CB 1.302 30 residues pruned to eliminate duplicates Z: 15 19.678 1.755 0.629 0.846 0.929 0.714 CA 1.471 15 residues pruned to eliminate duplicates Z: 12 20.564 1.949 0.531 0.910 1.000 0.727 CB 1.474 12 residues pruned to eliminate duplicates Z: 6 6.851 1.798 0.717 0.616 0.800 0.600 CB 1.112 Z: 13 26.852 1.818 0.892 0.934 1.000 0.750 CA 1.571 13 residues pruned to eliminate duplicates Z: 9 7.533 1.694 0.731 0.299 1.000 0.750 CA 1.136 9 residues pruned to eliminate duplicates Z: 14 25.260 1.929 0.902 0.843 1.000 0.462 CA 1.421 14 residues pruned to eliminate duplicates Z: 18 18.281 1.711 0.434 0.846 0.941 0.588 CB 1.427 22 residues pruned to eliminate duplicates Z: 15 20.934 1.785 0.967 0.809 1.000 0.857 CA 1.217 13 residues pruned to eliminate duplicates Z: 13 22.850 1.990 1.084 0.849 0.917 0.583 CA 1.287 13 residues pruned to eliminate duplicates Z: 42 20.863 1.894 0.497 0.496 0.878 0.707 CB 1.314 42 residues pruned to eliminate duplicates Z: 22 30.097 2.003 0.679 0.863 1.000 0.667 CB 1.432 24 residues pruned to eliminate duplicates Z: 16 17.185 2.026 0.888 0.443 0.867 0.400 CB 1.419 16 residues pruned to eliminate duplicates Z: 42 27.463 1.923 0.704 0.505 0.976 0.659 CB 1.336 42 residues pruned to eliminate duplicates Z: 10 11.325 1.843 0.421 0.593 1.000 0.778 CA 1.319 9 residues pruned to eliminate duplicates Z: 18 10.710 1.734 0.480 0.564 0.706 0.353 CB 1.347 18 residues pruned to eliminate duplicates Z: 12 14.460 1.912 0.616 0.916 0.909 0.818 CB 1.097 12 residues pruned to eliminate duplicates Z: 30 25.027 1.982 0.550 0.554 0.966 0.483 CA 1.486 31 residues pruned to eliminate duplicates Z: 11 13.320 2.009 0.417 0.842 1.000 0.800 CB 1.102 11 residues pruned to eliminate duplicates Z: 21 16.767 1.792 0.704 0.499 1.000 0.600 CA 1.230 21 residues pruned to eliminate duplicates Z: 26 30.451 1.998 0.797 0.683 0.960 0.400 CA 1.493 26 residues pruned to eliminate duplicates Z: 26 20.893 2.015 0.658 0.560 0.880 0.480 CB 1.341 12 residues pruned to eliminate duplicates Z: 23 26.989 1.968 0.646 0.893 1.000 0.864 CA 1.275 23 residues pruned to eliminate duplicates Z: 14 19.557 1.881 0.522 0.885 1.000 0.769 CB 1.368 14 residues pruned to eliminate duplicates Z: 14 21.023 1.995 1.021 0.818 0.846 0.692 CA 1.297 14 residues pruned to eliminate duplicates Z: 22 24.854 1.941 0.595 0.855 1.000 0.714 CB 1.293 22 residues pruned to eliminate duplicates Z: 36 19.793 1.917 0.770 0.523 0.943 0.514 CB 1.023 14 residues pruned to eliminate duplicates Z: 26 27.570 2.060 0.550 0.791 0.960 0.760 CA 1.393 26 residues pruned to eliminate duplicates Z: 13 15.151 1.711 0.542 0.846 0.917 0.750 CB 1.343 13 residues pruned to eliminate duplicates Z: 30 31.857 1.930 0.948 0.710 0.966 0.483 CB 1.347 42 residues pruned to eliminate duplicates Z: 37 26.799 1.987 0.688 0.530 0.944 0.583 CB 1.369 14 residues pruned to eliminate duplicates Z: 28 23.627 2.049 0.655 0.567 0.889 0.593 CB 1.414 28 residues pruned to eliminate duplicates Z: 34 20.946 1.914 0.584 0.443 0.939 0.667 CB 1.358 8 residues pruned to eliminate duplicates Z: 8 5.075 1.478 0.685 0.435 0.714 0.714 N 1.153 Z: 12 14.992 1.893 0.533 0.913 0.909 0.909 CB 1.213 12 residues pruned to eliminate duplicates Z: 24 30.730 1.929 0.867 0.862 0.957 0.783 CB 1.366 24 residues pruned to eliminate duplicates Z: 12 20.049 2.052 0.589 0.899 1.000 1.000 CA 1.325 12 residues pruned to eliminate duplicates Z: 24 28.266 1.971 0.561 0.856 1.000 0.739 CB 1.413 24 residues pruned to eliminate duplicates Z: 7 2.845 1.555 0.627 0.261 0.833 0.333 CB 0.724 Z: 24 20.126 1.991 0.611 0.460 0.957 0.609 CB 1.424 24 residues pruned to eliminate duplicates Z: 15 10.350 1.766 0.177 0.712 0.857 0.643 CB 1.282 7 residues pruned to eliminate duplicates Z: 13 21.800 1.946 0.836 0.897 1.000 0.833 CA 1.261 13 residues pruned to eliminate duplicates Z: 7 11.811 1.952 0.748 0.705 1.000 0.833 CB 1.172 6 residues pruned to eliminate duplicates Z: 24 25.188 1.923 0.476 0.879 1.000 0.870 CA 1.342 33 residues pruned to eliminate duplicates Z: 43 23.079 1.955 0.598 0.545 0.881 0.643 CB 1.239 35 residues pruned to eliminate duplicates Z: 13 18.838 1.993 0.577 0.841 1.000 0.667 CA 1.290 13 residues pruned to eliminate duplicates Z: 11 11.274 1.815 -0.052 0.917 1.000 0.900 CA 1.463 Z: 32 32.993 2.096 0.963 0.547 0.903 0.516 CB 1.523 30 residues pruned to eliminate duplicates Z: 11 9.564 1.649 0.110 0.875 1.000 0.800 CA 1.202 11 residues pruned to eliminate duplicates Z: 13 17.309 1.837 0.515 0.901 1.000 0.750 CB 1.281 13 residues pruned to eliminate duplicates Z: 7 10.336 1.831 0.304 0.857 1.000 0.833 CA 1.303 7 residues pruned to eliminate duplicates Z: 15 16.250 1.727 0.438 0.896 0.929 0.929 CB 1.349 15 residues pruned to eliminate duplicates Z: 21 21.214 2.044 0.667 0.691 0.900 0.500 CB 1.299 21 residues pruned to eliminate duplicates Z: 13 20.363 1.937 0.697 0.849 1.000 0.833 CB 1.326 13 residues pruned to eliminate duplicates Z: 24 24.778 1.882 0.544 0.902 1.000 1.000 CA 1.269 27 residues pruned to eliminate duplicates Z: 14 11.826 1.794 0.345 0.811 0.923 0.692 CA 1.123 14 residues pruned to eliminate duplicates Z: 22 24.061 2.038 0.496 0.858 0.952 0.810 CA 1.331 22 residues pruned to eliminate duplicates Z: 38 26.643 1.950 0.747 0.652 0.973 0.595 CB 1.147 38 residues pruned to eliminate duplicates Z: 14 20.643 1.895 0.941 0.848 0.923 0.769 CB 1.251 14 residues pruned to eliminate duplicates Z: 22 27.253 2.095 0.630 0.858 1.000 0.905 CA 1.283 22 residues pruned to eliminate duplicates Z: 12 6.300 1.657 0.392 0.458 0.727 0.364 CB 1.182 Z: 14 23.930 1.967 1.160 0.806 0.923 0.538 CB 1.296 14 residues pruned to eliminate duplicates Z: 7 8.973 1.776 0.657 0.667 0.833 0.500 CA 1.280 7 residues pruned to eliminate duplicates Z: 23 31.592 2.044 0.731 0.863 0.955 0.727 CA 1.464 23 residues pruned to eliminate duplicates Z: 11 15.877 1.887 0.403 0.875 1.000 0.800 CB 1.380 11 residues pruned to eliminate duplicates Z: 23 31.433 2.002 0.846 0.856 1.000 0.864 CA 1.338 23 residues pruned to eliminate duplicates Z: 23 33.804 2.021 0.805 0.872 1.000 0.818 CB 1.440 23 residues pruned to eliminate duplicates Z: 12 18.401 2.028 0.474 0.912 1.000 1.000 CA 1.315 12 residues pruned to eliminate duplicates Z: 14 18.937 1.909 0.685 0.772 1.000 0.692 CA 1.283 13 residues pruned to eliminate duplicates Z: 34 24.470 1.955 0.649 0.435 0.939 0.515 CA 1.504 34 residues pruned to eliminate duplicates Z: 20 15.226 1.769 0.658 0.620 0.842 0.421 CB 1.262 23 residues pruned to eliminate duplicates Z: 13 19.477 1.799 0.979 0.911 1.000 0.917 CB 1.119 12 residues pruned to eliminate duplicates Z: 14 19.920 1.784 0.594 0.860 1.000 0.692 CB 1.429 14 residues pruned to eliminate duplicates Z: 23 24.324 1.952 0.515 0.867 0.955 0.864 CA 1.344 23 residues pruned to eliminate duplicates Z: 13 22.879 2.019 0.705 0.802 1.000 0.833 CB 1.474 12 residues pruned to eliminate duplicates Z: 15 23.181 1.866 0.894 0.883 0.929 0.643 CB 1.364 14 residues pruned to eliminate duplicates Z: 10 16.157 1.883 0.391 0.871 1.000 0.889 CA 1.500 10 residues pruned to eliminate duplicates Z: 24 10.620 1.836 0.580 0.411 0.826 0.609 CB 1.014 24 residues pruned to eliminate duplicates Z: 15 13.969 1.659 0.839 0.793 0.857 0.643 CB 1.104 15 residues pruned to eliminate duplicates Z: 37 15.488 1.893 0.740 0.394 0.833 0.389 CB 1.051 37 residues pruned to eliminate duplicates Z: 22 31.887 2.105 0.977 0.862 1.000 0.714 CA 1.228 22 residues pruned to eliminate duplicates Z: 6 4.181 1.747 0.587 0.465 0.800 0.400 CB 0.873 Z: 30 18.600 1.891 0.653 0.477 0.931 0.828 CB 1.214 30 residues pruned to eliminate duplicates Z: 34 26.639 1.875 0.617 0.671 1.000 0.667 CA 1.305 24 residues pruned to eliminate duplicates Z: 23 31.808 2.054 0.802 0.833 1.000 0.773 CA 1.375 23 residues pruned to eliminate duplicates Z: 22 34.548 1.999 1.128 0.911 0.952 0.714 CB 1.319 22 residues pruned to eliminate duplicates Z: 23 23.134 1.833 0.834 0.866 0.955 0.682 CB 1.125 23 residues pruned to eliminate duplicates Z: 15 17.262 1.848 0.656 0.691 0.786 0.500 CB 1.611 11 residues pruned to eliminate duplicates Z: 22 36.381 2.123 0.883 0.870 1.000 0.810 CA 1.450 22 residues pruned to eliminate duplicates Z: 8 16.391 1.861 0.807 0.750 1.000 0.571 CB 1.474 8 residues pruned to eliminate duplicates Z: 7 6.950 1.821 0.427 0.635 0.833 0.500 CB 1.154 7 residues pruned to eliminate duplicates Z: 14 12.680 1.798 0.515 0.592 1.000 0.462 CB 1.183 14 residues pruned to eliminate duplicates Z: 13 11.809 1.905 0.313 0.471 1.000 0.417 CB 1.404 Z: 10 12.110 1.696 0.880 0.562 0.889 0.444 CB 1.342 10 residues pruned to eliminate duplicates Z: 40 22.495 1.951 0.609 0.467 0.897 0.564 CB 1.322 39 residues pruned to eliminate duplicates Z: 14 18.779 1.954 0.539 0.838 1.000 0.923 CA 1.294 14 residues pruned to eliminate duplicates Z: 7 2.636 1.497 0.396 0.334 0.833 0.500 CB 0.741 Z: 13 13.496 1.996 0.094 0.850 1.000 0.833 CB 1.322 13 residues pruned to eliminate duplicates Z: 12 23.777 2.014 0.820 0.817 1.000 0.273 CA 1.485 12 residues pruned to eliminate duplicates Z: 37 17.362 1.865 0.631 0.324 0.889 0.528 CB 1.300 37 residues pruned to eliminate duplicates Z: 8 10.387 1.842 0.764 0.498 1.000 0.429 CB 1.211 Z: 10 11.924 1.776 0.554 0.678 1.000 0.778 CA 1.223 Z: 12 12.695 1.754 0.567 0.600 1.000 0.909 CB 1.267 Z: 29 27.481 2.076 0.534 0.734 0.929 0.750 CB 1.424 29 residues pruned to eliminate duplicates Z: 23 26.228 1.892 0.764 0.882 0.955 0.727 CB 1.270 23 residues pruned to eliminate duplicates Z: 13 18.650 1.999 0.653 0.833 0.917 0.833 CA 1.333 13 residues pruned to eliminate duplicates Z: 10 4.946 1.628 0.010 0.292 1.000 0.667 CB 1.266 Z: 12 22.423 1.811 0.683 0.900 1.000 0.545 CB 1.584 12 residues pruned to eliminate duplicates Z: 41 34.244 2.067 0.834 0.541 0.950 0.525 CB 1.444 41 residues pruned to eliminate duplicates Z: 8 8.601 1.799 0.174 0.902 1.000 1.000 CB 1.098 8 residues pruned to eliminate duplicates Z: 23 28.908 2.075 0.556 0.895 1.000 0.818 CA 1.369 23 residues pruned to eliminate duplicates Z: 12 22.854 1.945 1.281 0.916 1.000 1.000 CB 1.097 11 residues pruned to eliminate duplicates Z: 13 16.245 1.886 0.684 0.893 0.833 0.750 CB 1.272 13 residues pruned to eliminate duplicates Z: 17 19.267 1.797 0.736 0.833 0.938 0.812 CA 1.235 17 residues pruned to eliminate duplicates Z: 7 9.070 1.757 0.685 0.527 0.833 0.667 CA 1.460 Z: 44 31.165 1.992 0.857 0.503 0.907 0.465 CB 1.412 44 residues pruned to eliminate duplicates Z: 43 18.760 1.912 0.598 0.393 0.810 0.405 CB 1.311 43 residues pruned to eliminate duplicates Z: 13 12.515 1.749 0.680 0.875 1.000 0.833 CB 0.894 13 residues pruned to eliminate duplicates Z: 23 32.939 2.066 0.947 0.827 0.909 0.727 CA 1.447 23 residues pruned to eliminate duplicates Z: 34 16.086 1.898 0.551 0.467 0.848 0.455 CB 1.160 34 residues pruned to eliminate duplicates Z: 23 39.173 2.074 1.063 0.872 1.000 0.545 CA 1.423 23 residues pruned to eliminate duplicates Z: 6 5.569 1.592 1.220 0.299 0.800 0.800 CB 1.103 Z: 13 12.273 1.681 0.398 0.887 1.000 0.750 CB 1.087 13 residues pruned to eliminate duplicates Z: 8 3.280 1.446 0.553 0.243 0.714 0.429 N 1.040 Z: 23 30.129 2.051 0.827 0.829 1.000 0.636 CA 1.290 23 residues pruned to eliminate duplicates 6 1.428 1.462 0.206 0.339 0.800 0.400 N 0.540 ? Z: 14 15.359 1.909 0.462 0.766 0.923 0.769 CA 1.306 14 residues pruned to eliminate duplicates Z: 24 26.714 1.956 0.917 0.809 0.826 0.565 CA 1.374 24 residues pruned to eliminate duplicates Z: 6 9.300 1.855 0.268 0.804 1.000 0.600 CA 1.355 6 residues pruned to eliminate duplicates Z: 10 12.018 1.822 0.723 0.619 0.889 0.667 CA 1.283 10 residues pruned to eliminate duplicates Z: 9 3.073 1.403 0.124 0.323 0.750 0.375 CB 1.116 9 residues pruned to eliminate duplicates Z: 10 4.440 1.748 0.267 0.358 0.778 0.444 CB 1.001 6 residues pruned to eliminate duplicates Z: 24 28.432 1.930 0.842 0.845 1.000 0.696 CB 1.240 24 residues pruned to eliminate duplicates Z: 41 33.454 2.103 0.824 0.507 0.900 0.600 CB 1.522 41 residues pruned to eliminate duplicates Z: 8 9.352 1.752 0.431 0.497 1.000 0.429 CA 1.415 8 residues pruned to eliminate duplicates Z: 24 29.093 1.957 0.704 0.875 1.000 0.739 CA 1.323 24 residues pruned to eliminate duplicates Z: 22 20.913 2.028 0.579 0.830 0.952 0.762 CA 1.125 22 residues pruned to eliminate duplicates Z: 11 12.653 1.805 0.586 0.875 1.000 0.500 CB 1.017 11 residues pruned to eliminate duplicates Z: 23 30.710 1.971 0.912 0.890 0.909 0.773 CB 1.375 23 residues pruned to eliminate duplicates Z: 41 22.600 1.927 0.659 0.479 0.850 0.625 CB 1.343 41 residues pruned to eliminate duplicates Z: 11 14.326 1.855 0.668 0.476 1.000 0.800 CA 1.500 13 residues pruned to eliminate duplicates Z: 10 9.668 1.724 0.388 0.683 1.000 0.889 CA 1.138 10 residues pruned to eliminate duplicates Z: 6 6.072 1.680 0.316 0.437 1.000 0.600 CB 1.311 5 residues pruned to eliminate duplicates Z: 12 11.304 2.013 0.801 0.630 0.818 0.636 CB 1.017 Z: 21 25.963 1.972 0.593 0.931 1.000 0.900 CA 1.291 21 residues pruned to eliminate duplicates Z: 12 24.367 1.939 1.209 0.871 1.000 0.818 CB 1.251 12 residues pruned to eliminate duplicates Z: 42 31.700 1.981 0.710 0.542 0.976 0.561 CB 1.438 31 residues pruned to eliminate duplicates Z: 27 16.046 1.929 0.603 0.546 0.769 0.500 CB 1.264 24 residues pruned to eliminate duplicates Z: 10 13.535 1.869 0.575 0.745 0.889 0.556 CA 1.385 10 residues pruned to eliminate duplicates Z: 15 23.860 1.842 0.898 0.830 1.000 0.571 CB 1.372 15 residues pruned to eliminate duplicates Z: 29 23.778 2.013 0.724 0.456 0.929 0.643 CA 1.458 15 residues pruned to eliminate duplicates Z: 41 30.526 1.978 0.808 0.502 0.925 0.525 CB 1.456 20 residues pruned to eliminate duplicates Z: 24 28.623 2.059 0.644 0.842 1.000 0.826 CA 1.314 24 residues pruned to eliminate duplicates Z: 18 10.490 1.632 0.798 0.465 0.824 0.529 CB 1.091 Z: 16 24.257 1.972 0.847 0.895 1.000 0.733 CB 1.233 16 residues pruned to eliminate duplicates Z: 43 26.091 1.937 0.554 0.599 0.881 0.667 CB 1.382 43 residues pruned to eliminate duplicates Z: 23 24.595 2.012 0.431 0.874 1.000 0.864 CA 1.325 23 residues pruned to eliminate duplicates Z: 46 25.280 1.941 0.510 0.535 0.933 0.689 CB 1.332 46 residues pruned to eliminate duplicates Z: 24 13.287 1.916 0.492 0.388 0.913 0.522 CA 1.195 24 residues pruned to eliminate duplicates Z: 13 18.885 1.828 0.885 0.817 0.917 0.667 CA 1.310 13 residues pruned to eliminate duplicates Z: 24 14.196 1.945 0.444 0.367 0.870 0.565 CB 1.397 24 residues pruned to eliminate duplicates Z: 34 31.359 1.977 0.682 0.726 0.970 0.727 CB 1.381 25 residues pruned to eliminate duplicates Z: 23 24.994 1.893 0.675 0.853 0.955 0.591 CB 1.302 20 residues pruned to eliminate duplicates Z: 44 21.701 1.886 0.563 0.441 0.930 0.558 CB 1.282 42 residues pruned to eliminate duplicates Z: 23 28.813 1.963 0.773 0.867 0.955 0.818 CA 1.354 23 residues pruned to eliminate duplicates Z: 20 10.373 1.705 0.712 0.437 0.895 0.421 CB 0.972 16 residues pruned to eliminate duplicates Z: 28 17.138 1.912 0.565 0.549 0.889 0.630 CB 1.182 28 residues pruned to eliminate duplicates Z: 41 31.646 2.059 0.669 0.551 0.975 0.575 CB 1.421 41 residues pruned to eliminate duplicates Z: 37 23.658 1.918 0.592 0.552 0.944 0.750 CB 1.300 36 residues pruned to eliminate duplicates Z: 8 6.543 1.732 0.822 0.342 1.000 0.571 CB 0.930 8 residues pruned to eliminate duplicates Z: 23 28.381 1.949 0.607 0.892 1.000 0.818 CA 1.388 23 residues pruned to eliminate duplicates Z: 7 6.680 1.661 0.516 0.511 0.833 0.667 CB 1.286 Z: 7 11.415 1.899 0.183 0.883 1.000 0.833 CB 1.500 7 residues pruned to eliminate duplicates Z: 10 13.838 1.765 0.710 0.778 1.000 0.778 CA 1.196 10 residues pruned to eliminate duplicates Z: 9 6.428 1.717 0.808 0.431 0.750 0.750 CB 1.048 Z: 23 31.740 1.990 0.671 0.842 1.000 0.727 CB 1.515 23 residues pruned to eliminate duplicates Z: 21 13.394 1.844 0.598 0.524 0.850 0.450 CB 1.168 21 residues pruned to eliminate duplicates Z: 12 12.901 1.893 0.351 0.883 0.909 0.818 CB 1.210 12 residues pruned to eliminate duplicates Z: 13 8.474 1.595 0.537 0.295 0.917 0.500 CA 1.369 13 residues pruned to eliminate duplicates Z: 13 16.478 1.763 1.056 0.890 0.917 0.833 CB 1.030 13 residues pruned to eliminate duplicates Z: 24 27.373 1.866 0.745 0.881 0.957 0.826 CB 1.327 24 residues pruned to eliminate duplicates Z: 10 11.663 1.856 0.115 0.895 1.000 1.000 CB 1.346 10 residues pruned to eliminate duplicates Z: 14 18.922 1.891 0.832 0.821 0.846 0.692 CB 1.355 14 residues pruned to eliminate duplicates Z: 15 6.361 1.542 0.433 0.283 0.857 0.429 CB 1.147 10 residues pruned to eliminate duplicates Z: 23 27.757 1.990 0.782 0.858 0.864 0.773 CA 1.422 23 residues pruned to eliminate duplicates Z: 22 35.988 2.084 1.045 0.873 1.000 0.619 CA 1.342 22 residues pruned to eliminate duplicates Z: 9 11.874 1.959 0.329 0.579 1.000 0.625 CB 1.494 9 residues pruned to eliminate duplicates Z: 12 23.970 1.929 1.293 0.949 1.000 1.000 CB 1.127 13 residues pruned to eliminate duplicates Z: 20 13.054 1.845 0.597 0.404 0.842 0.632 CB 1.336 20 residues pruned to eliminate duplicates Z: 23 31.067 2.039 0.798 0.855 1.000 0.727 CB 1.333 23 residues pruned to eliminate duplicates Z: 12 7.133 1.769 0.398 0.583 0.818 0.545 CB 0.981 9 residues pruned to eliminate duplicates Z: 23 21.548 1.930 0.740 0.817 0.864 0.545 CB 1.203 23 residues pruned to eliminate duplicates Z: 11 14.988 1.881 0.636 0.612 1.000 0.900 CA 1.385 11 residues pruned to eliminate duplicates Z: 23 27.994 2.027 0.558 0.847 1.000 0.773 CA 1.402 23 residues pruned to eliminate duplicates Z: 9 5.928 1.577 0.325 0.497 1.000 0.500 CB 1.006 9 residues pruned to eliminate duplicates Z: 13 14.300 1.686 0.740 0.856 0.917 0.750 CB 1.132 13 residues pruned to eliminate duplicates Z: 14 17.068 1.910 0.585 0.899 0.923 0.769 CA 1.211 14 residues pruned to eliminate duplicates Z: 6 2.458 1.349 0.805 0.658 1.000 0.800 N 0.390 Z: 26 12.123 1.819 0.467 0.417 0.880 0.640 CB 1.127 26 residues pruned to eliminate duplicates Z: 74 37.842 1.941 0.848 0.545 0.904 0.630 CB 1.308 79 residues pruned to eliminate duplicates Z: 12 5.904 1.479 0.118 0.570 0.818 0.545 N 1.230 11 residues pruned to eliminate duplicates Z: 20 13.498 1.744 0.584 0.451 0.895 0.579 CB 1.318 17 residues pruned to eliminate duplicates Z: 23 31.479 2.043 0.938 0.848 0.909 0.773 CA 1.383 23 residues pruned to eliminate duplicates Z: 24 27.791 1.977 0.462 0.838 1.000 0.696 CB 1.499 24 residues pruned to eliminate duplicates Z: 9 4.061 1.531 0.297 0.373 0.875 0.375 N 0.947 8 residues pruned to eliminate duplicates Z: 22 14.762 1.938 0.536 0.366 0.857 0.381 CB 1.458 22 residues pruned to eliminate duplicates Z: 15 15.300 1.708 0.883 0.816 0.857 0.857 CB 1.127 15 residues pruned to eliminate duplicates Z: 41 34.123 2.081 0.759 0.503 0.975 0.475 CB 1.507 41 residues pruned to eliminate duplicates Z: 14 9.191 1.914 0.597 0.465 0.769 0.615 CB 1.124 14 residues pruned to eliminate duplicates Z: 23 40.573 2.035 1.154 0.873 1.000 0.591 CA 1.437 23 residues pruned to eliminate duplicates Z: 24 26.128 1.964 0.652 0.857 0.870 0.739 CB 1.423 25 residues pruned to eliminate duplicates Z: 14 9.444 1.855 0.439 0.336 0.846 0.692 CB 1.387 14 residues pruned to eliminate duplicates Z: 14 17.369 1.823 0.605 0.827 1.000 0.769 CA 1.241 14 residues pruned to eliminate duplicates Z: 23 35.310 2.044 0.983 0.896 0.955 0.545 CA 1.394 23 residues pruned to eliminate duplicates Z: 49 29.662 1.942 0.528 0.608 0.958 0.688 CB 1.358 62 residues pruned to eliminate duplicates Z: 44 29.541 2.081 0.743 0.443 0.837 0.512 CB 1.573 44 residues pruned to eliminate duplicates Z: 11 19.155 1.733 0.883 0.784 1.000 0.700 N 1.445 Z: 13 16.192 1.873 0.740 0.849 0.917 0.833 CB 1.159 13 residues pruned to eliminate duplicates Z: 24 18.588 1.966 0.543 0.642 0.870 0.565 CB 1.287 24 residues pruned to eliminate duplicates Z: 22 33.831 2.076 0.832 0.877 1.000 0.714 CA 1.409 22 residues pruned to eliminate duplicates Z: 23 29.062 2.046 0.753 0.843 0.955 0.773 CA 1.348 23 residues pruned to eliminate duplicates Z: 13 20.469 1.757 0.821 0.852 0.917 0.500 CB 1.490 13 residues pruned to eliminate duplicates Z: 23 22.172 1.987 0.392 0.882 0.909 0.727 CB 1.359 23 residues pruned to eliminate duplicates Z: 22 26.883 1.935 0.707 0.857 0.952 0.762 CB 1.374 22 residues pruned to eliminate duplicates Z: 23 33.657 2.055 0.838 0.854 1.000 0.727 CA 1.404 23 residues pruned to eliminate duplicates Z: 6 4.188 1.766 0.620 0.644 1.000 0.800 CB 0.573 Z: 36 27.165 1.984 0.750 0.553 0.914 0.657 CB 1.373 36 residues pruned to eliminate duplicates Z: 11 15.246 1.775 0.847 0.880 0.900 0.600 CB 1.184 11 residues pruned to eliminate duplicates Z: 29 14.280 1.856 0.807 0.392 0.750 0.500 CB 1.203 25 residues pruned to eliminate duplicates Z: 48 26.943 1.936 0.599 0.594 0.894 0.574 CB 1.299 47 residues pruned to eliminate duplicates Z: 12 9.209 1.746 0.632 0.489 0.909 0.727 CB 1.084 Z: 23 33.312 2.046 0.745 0.892 1.000 0.773 CB 1.430 23 residues pruned to eliminate duplicates Z: 6 3.575 1.584 0.586 0.382 0.800 0.600 CB 0.902 Z: 7 10.071 1.788 0.584 0.785 1.000 0.667 CA 1.130 7 residues pruned to eliminate duplicates 6 1.928 1.835 -0.096 0.570 0.600 0.600 CB 0.809 ? Z: 13 15.363 1.876 0.348 0.860 0.917 0.833 CA 1.407 13 residues pruned to eliminate duplicates Z: 38 24.707 1.975 0.823 0.508 0.838 0.568 CB 1.336 46 residues pruned to eliminate duplicates Z: 8 4.158 1.552 0.445 0.376 1.000 0.429 CB 0.800 Z: 18 18.872 1.696 1.135 0.880 0.882 0.588 CB 1.038 18 residues pruned to eliminate duplicates Z: 14 26.035 1.942 1.001 0.861 1.000 0.692 CA 1.366 14 residues pruned to eliminate duplicates Z: 8 8.353 1.712 0.901 0.331 0.857 0.429 N 1.362 Z: 12 14.911 1.921 0.555 0.882 0.909 0.818 CB 1.198 12 residues pruned to eliminate duplicates Z: 38 40.400 2.141 0.944 0.507 1.000 0.541 CB 1.585 38 residues pruned to eliminate duplicates Z: 8 10.033 1.804 0.490 0.686 1.000 0.714 CA 1.189 8 residues pruned to eliminate duplicates Z: 13 17.345 1.805 0.863 0.841 0.917 0.417 CB 1.211 20 residues pruned to eliminate duplicates Z: 24 21.750 1.934 0.531 0.815 0.957 0.783 CA 1.218 24 residues pruned to eliminate duplicates Z: 33 19.193 1.974 0.499 0.369 0.906 0.594 CA 1.455 27 residues pruned to eliminate duplicates Z: 23 28.375 1.991 0.776 0.837 0.909 0.545 CA 1.407 23 residues pruned to eliminate duplicates Z: 41 31.371 2.032 0.747 0.555 0.950 0.700 CA 1.394 41 residues pruned to eliminate duplicates Z: 10 8.784 1.689 0.337 0.564 0.889 0.333 CB 1.371 Z: 63 27.815 1.918 0.624 0.498 0.871 0.516 CB 1.304 91 residues pruned to eliminate duplicates Z: 24 22.630 1.983 0.357 0.907 1.000 0.826 CA 1.247 24 residues pruned to eliminate duplicates Z: 9 4.826 1.794 0.381 0.265 0.750 0.500 N 1.200 6 1.997 1.366 0.419 0.317 1.000 0.400 CB 0.563 ? Z: 53 26.673 1.978 0.664 0.488 0.885 0.596 CB 1.286 53 residues pruned to eliminate duplicates Z: 11 8.337 1.795 0.234 0.678 0.900 0.400 CB 1.122 8 residues pruned to eliminate duplicates Z: 14 16.019 1.910 0.394 0.813 1.000 0.846 CB 1.271 14 residues pruned to eliminate duplicates Z: 11 14.992 1.810 0.559 0.739 1.000 0.700 CB 1.355 11 residues pruned to eliminate duplicates Z: 12 8.795 1.687 0.729 0.429 0.909 0.636 CB 1.077 10 residues pruned to eliminate duplicates Z: 31 23.788 1.982 0.448 0.680 0.933 0.700 CB 1.374 31 residues pruned to eliminate duplicates Z: 24 29.308 1.968 0.622 0.848 0.957 0.696 CB 1.484 24 residues pruned to eliminate duplicates Z: 12 21.079 1.768 0.882 0.796 1.000 0.545 CA 1.474 11 residues pruned to eliminate duplicates Z: 48 28.183 1.930 0.632 0.586 0.894 0.617 CB 1.345 48 residues pruned to eliminate duplicates Z: 28 14.135 1.895 0.337 0.385 0.852 0.556 CB 1.424 28 residues pruned to eliminate duplicates Z: 23 23.035 1.970 0.517 0.837 0.955 0.727 CA 1.288 23 residues pruned to eliminate duplicates Z: 11 10.409 1.594 0.369 0.895 1.000 0.800 CB 1.082 11 residues pruned to eliminate duplicates Z: 55 28.031 1.968 0.633 0.546 0.889 0.574 CB 1.277 55 residues pruned to eliminate duplicates Z: 22 33.217 2.103 0.878 0.899 1.000 0.810 CB 1.312 22 residues pruned to eliminate duplicates Z: 8 8.527 1.672 0.492 0.818 0.857 0.714 CB 1.144 8 residues pruned to eliminate duplicates Z: 34 17.241 1.816 0.562 0.497 0.909 0.515 CB 1.167 37 residues pruned to eliminate duplicates Z: 47 25.481 1.904 0.700 0.565 0.870 0.565 CB 1.254 47 residues pruned to eliminate duplicates Z: 15 12.750 1.928 0.483 0.571 0.857 0.429 CB 1.298 15 residues pruned to eliminate duplicates Z: 22 30.459 2.041 0.698 0.880 1.000 0.762 CB 1.390 22 residues pruned to eliminate duplicates Z: 23 29.318 1.977 0.836 0.880 0.955 0.773 CB 1.307 23 residues pruned to eliminate duplicates Z: 7 2.091 1.446 0.749 0.247 0.500 0.333 CB 0.904 Z: 6 6.918 1.655 0.218 0.565 1.000 0.800 N 1.440 Z: 11 13.386 1.772 0.348 0.836 1.000 0.800 CA 1.327 11 residues pruned to eliminate duplicates Z: 24 12.310 1.711 0.481 0.519 0.870 0.478 CB 1.143 24 residues pruned to eliminate duplicates Z: 42 31.295 2.060 0.644 0.589 0.902 0.634 CB 1.468 42 residues pruned to eliminate duplicates Z: 15 20.170 1.718 0.699 0.861 0.929 0.857 CB 1.461 15 residues pruned to eliminate duplicates Z: 15 13.164 1.956 0.569 0.549 0.786 0.643 CB 1.392 15 residues pruned to eliminate duplicates 7 1.296 1.473 0.569 0.526 0.833 0.833 CB 0.268 ? Z: 9 7.469 1.741 0.594 0.414 0.875 0.875 CB 1.191 9 residues pruned to eliminate duplicates Z: 22 22.756 2.034 0.804 0.843 0.810 0.619 CB 1.245 22 residues pruned to eliminate duplicates Z: 12 22.435 1.795 0.702 0.910 1.000 0.909 CA 1.570 12 residues pruned to eliminate duplicates Z: 15 7.600 1.760 0.734 0.382 0.786 0.571 CB 0.961 15 residues pruned to eliminate duplicates Z: 29 19.886 1.955 0.519 0.446 0.929 0.536 CB 1.441 29 residues pruned to eliminate duplicates Z: 17 13.397 1.780 0.510 0.631 0.875 0.500 CB 1.259 17 residues pruned to eliminate duplicates Z: 15 12.595 1.880 0.696 0.541 0.857 0.714 CB 1.183 15 residues pruned to eliminate duplicates Z: 8 10.913 1.790 0.514 0.719 0.857 0.571 CA 1.456 8 residues pruned to eliminate duplicates Z: 12 14.081 1.817 0.746 0.874 1.000 0.727 CB 0.974 12 residues pruned to eliminate duplicates Z: 25 14.295 1.894 0.448 0.432 0.875 0.542 CB 1.305 25 residues pruned to eliminate duplicates Z: 42 30.117 2.056 0.879 0.463 0.878 0.537 CB 1.440 42 residues pruned to eliminate duplicates Z: 23 27.224 2.051 0.518 0.855 0.955 0.727 CA 1.441 23 residues pruned to eliminate duplicates Z: 24 30.833 1.978 0.663 0.848 1.000 0.696 CB 1.450 24 residues pruned to eliminate duplicates Z: 17 15.678 1.978 0.609 0.519 1.000 0.562 CB 1.208 17 residues pruned to eliminate duplicates Z: 24 24.459 1.929 0.464 0.890 1.000 0.913 CA 1.299 24 residues pruned to eliminate duplicates Z: 22 16.054 2.018 0.567 0.365 0.905 0.571 CB 1.416 22 residues pruned to eliminate duplicates Z: 14 14.956 1.963 0.503 0.792 0.923 0.846 CB 1.178 14 residues pruned to eliminate duplicates Z: 32 19.756 1.974 0.441 0.564 0.839 0.548 CB 1.397 32 residues pruned to eliminate duplicates Z: 14 10.329 1.718 0.526 0.481 0.846 0.615 CB 1.317 14 residues pruned to eliminate duplicates Z: 6 6.783 1.814 0.273 0.438 1.000 0.600 CA 1.400 6 residues pruned to eliminate duplicates Z: 36 24.020 1.932 0.697 0.509 0.914 0.629 CB 1.343 36 residues pruned to eliminate duplicates Z: 10 11.441 1.669 0.573 0.623 1.000 0.556 CB 1.294 10 residues pruned to eliminate duplicates Z: 15 21.584 1.875 0.706 0.803 0.929 0.714 CA 1.491 15 residues pruned to eliminate duplicates Z: 20 14.512 1.942 0.897 0.324 0.842 0.474 CB 1.303 20 residues pruned to eliminate duplicates Z: 11 14.709 1.695 0.499 0.890 1.000 0.800 CB 1.317 11 residues pruned to eliminate duplicates Z: 11 10.121 1.608 0.388 0.835 0.900 0.700 CA 1.193 11 residues pruned to eliminate duplicates Z: 7 3.663 1.313 0.813 0.613 0.833 0.667 CA 0.678 7 residues pruned to eliminate duplicates Z: 42 34.974 2.092 0.758 0.486 0.927 0.659 CA 1.625 42 residues pruned to eliminate duplicates Z: 44 23.329 1.925 0.538 0.526 0.884 0.558 CB 1.325 44 residues pruned to eliminate duplicates Z: 26 22.169 2.024 0.740 0.576 0.920 0.640 CB 1.271 24 residues pruned to eliminate duplicates Z: 12 12.073 1.562 0.704 0.880 1.000 0.909 CB 0.991 12 residues pruned to eliminate duplicates Z: 23 23.312 1.976 0.576 0.830 0.864 0.545 CB 1.390 23 residues pruned to eliminate duplicates Z: 14 21.294 1.872 0.733 0.877 1.000 0.615 CB 1.322 14 residues pruned to eliminate duplicates Z: 23 23.599 1.979 0.476 0.857 0.955 0.727 CA 1.330 23 residues pruned to eliminate duplicates Z: 15 16.732 1.695 0.643 0.888 1.000 0.857 CA 1.157 15 residues pruned to eliminate duplicates Z: 13 10.331 1.784 0.577 0.557 0.833 0.417 CB 1.203 13 residues pruned to eliminate duplicates Z: 6 2.892 1.547 0.911 0.481 0.600 0.600 N 0.743 Z: 22 30.857 2.012 0.663 0.868 1.000 0.762 CB 1.471 22 residues pruned to eliminate duplicates Z: 23 19.571 1.870 0.357 0.878 1.000 0.864 CA 1.193 24 residues pruned to eliminate duplicates Z: 23 26.867 1.955 0.894 0.840 0.955 0.636 CB 1.210 23 residues pruned to eliminate duplicates Z: 13 13.642 1.714 0.896 0.810 0.917 0.583 CB 1.009 13 residues pruned to eliminate duplicates Z: 42 31.319 2.016 0.652 0.572 0.927 0.585 CB 1.478 42 residues pruned to eliminate duplicates Z: 12 20.015 1.979 0.767 0.844 0.909 0.909 CA 1.413 12 residues pruned to eliminate duplicates Z: 24 21.350 1.860 0.395 0.883 1.000 0.826 CA 1.241 24 residues pruned to eliminate duplicates Z: 44 20.961 1.886 0.732 0.444 0.860 0.605 CB 1.205 44 residues pruned to eliminate duplicates Z: 13 9.942 1.496 0.656 0.768 0.917 0.667 CB 0.996 13 residues pruned to eliminate duplicates Z: 22 23.659 1.999 0.618 0.881 0.952 0.810 CA 1.214 22 residues pruned to eliminate duplicates Z: 8 6.221 1.512 0.545 0.442 0.857 0.714 O 1.247 Z: 30 11.121 1.665 0.464 0.458 0.862 0.552 CB 1.025 30 residues pruned to eliminate duplicates Z: 18 9.772 1.711 0.552 0.380 0.941 0.412 CB 1.077 10 residues pruned to eliminate duplicates Z: 14 22.306 1.935 0.871 0.838 0.923 0.769 CB 1.384 14 residues pruned to eliminate duplicates Z: 14 20.897 1.799 0.564 0.911 1.000 0.846 CA 1.459 14 residues pruned to eliminate duplicates Z: 15 18.728 1.755 0.760 0.863 0.929 0.500 CA 1.280 15 residues pruned to eliminate duplicates Z: 7 5.412 1.808 0.407 0.560 0.667 0.500 CB 1.229 7 residues pruned to eliminate duplicates Z: 12 17.601 1.880 0.593 0.886 1.000 0.909 CB 1.279 12 residues pruned to eliminate duplicates Z: 37 32.767 2.066 0.839 0.503 0.972 0.444 CB 1.473 37 residues pruned to eliminate duplicates Z: 6 9.684 1.937 0.507 0.461 1.000 0.200 CB 1.543 6 residues pruned to eliminate duplicates Z: 13 17.500 1.826 0.905 0.848 0.917 0.917 CA 1.175 13 residues pruned to eliminate duplicates Z: 6 9.231 1.788 0.508 0.855 1.000 1.000 CB 1.130 Z: 36 32.380 2.063 0.850 0.535 0.914 0.543 CB 1.515 36 residues pruned to eliminate duplicates Z: 23 19.967 1.891 0.609 0.824 0.909 0.545 CB 1.163 23 residues pruned to eliminate duplicates Z: 11 7.760 1.874 0.329 0.462 0.700 0.600 CB 1.463 11 residues pruned to eliminate duplicates Z: 11 16.469 1.766 0.844 0.785 0.900 0.700 CA 1.383 11 residues pruned to eliminate duplicates Z: 33 20.419 1.872 0.636 0.434 0.969 0.688 CB 1.303 33 residues pruned to eliminate duplicates Z: 6 3.189 1.369 0.593 0.517 0.800 0.600 CB 0.804 Z: 36 28.207 1.853 0.720 0.729 0.914 0.771 CA 1.331 32 residues pruned to eliminate duplicates Z: 8 6.228 1.536 0.653 0.327 1.000 0.429 CB 1.122 Z: 7 6.090 1.830 1.057 0.217 0.667 0.333 N 1.382 7 residues pruned to eliminate duplicates Z: 6 9.106 1.847 0.487 0.809 1.000 0.800 CA 1.133 6 residues pruned to eliminate duplicates Z: 18 7.909 1.692 0.501 0.449 0.882 0.471 CB 0.903 18 residues pruned to eliminate duplicates Z: 14 17.450 1.868 0.934 0.863 0.846 0.462 CB 1.161 14 residues pruned to eliminate duplicates Z: 14 10.621 1.645 0.625 0.850 0.923 0.615 CB 0.885 14 residues pruned to eliminate duplicates Z: 42 30.511 1.982 0.838 0.498 0.902 0.537 CB 1.452 41 residues pruned to eliminate duplicates Z: 14 17.444 1.798 0.652 0.854 0.923 0.769 CA 1.303 14 residues pruned to eliminate duplicates Z: 20 25.470 2.006 0.625 0.872 0.947 0.842 CA 1.379 20 residues pruned to eliminate duplicates Z: 40 31.817 2.006 0.887 0.474 0.949 0.462 CB 1.457 40 residues pruned to eliminate duplicates Z: 8 6.598 1.807 -0.003 0.760 1.000 1.000 CA 1.099 8 residues pruned to eliminate duplicates Z: 8 11.426 1.930 0.606 0.874 0.857 0.857 CB 1.183 8 residues pruned to eliminate duplicates Z: 16 8.573 1.723 0.428 0.376 0.800 0.467 CB 1.283 16 residues pruned to eliminate duplicates Z: 10 8.140 1.637 0.621 0.470 1.000 0.889 CB 1.055 10 residues pruned to eliminate duplicates Z: 9 5.428 1.570 0.025 0.636 0.875 0.750 CB 1.201 9 residues pruned to eliminate duplicates Z: 9 9.132 1.786 0.400 0.500 1.000 0.625 CB 1.291 9 residues pruned to eliminate duplicates Z: 22 19.515 1.929 0.362 0.834 0.952 0.667 CA 1.276 22 residues pruned to eliminate duplicates Z: 25 18.725 1.908 0.652 0.603 0.875 0.625 CB 1.256 25 residues pruned to eliminate duplicates Z: 7 5.774 1.778 0.130 0.761 0.833 0.833 CB 1.117 7 residues pruned to eliminate duplicates Z: 12 10.600 1.600 0.901 0.490 1.000 0.636 CB 1.061 Z: 6 4.095 1.696 0.595 0.296 0.800 0.600 N 1.063 Z: 54 32.790 2.030 0.822 0.457 0.906 0.528 CB 1.405 51 residues pruned to eliminate duplicates Z: 38 23.101 1.932 0.468 0.526 0.919 0.703 CB 1.421 38 residues pruned to eliminate duplicates Z: 9 3.719 1.487 0.590 0.310 0.750 0.375 CB 0.916 9 residues pruned to eliminate duplicates Z: 6 10.446 1.889 0.482 0.881 1.000 1.000 CA 1.208 6 residues pruned to eliminate duplicates Z: 6 3.667 1.659 0.260 0.454 0.600 0.400 CA 1.371 Z: 16 17.052 1.857 0.761 0.536 0.933 0.867 CA 1.392 16 residues pruned to eliminate duplicates Z: 8 4.994 1.555 0.720 0.479 0.857 0.714 CB 0.841 Z: 9 6.246 1.567 0.490 0.785 0.875 0.500 CB 0.841 9 residues pruned to eliminate duplicates Z: 30 13.634 1.860 0.419 0.350 0.897 0.483 CB 1.259 23 residues pruned to eliminate duplicates Z: 29 17.918 1.800 0.666 0.540 0.929 0.464 CB 1.169 32 residues pruned to eliminate duplicates Z: 47 28.491 1.972 0.611 0.546 0.957 0.609 CB 1.322 47 residues pruned to eliminate duplicates Z: 23 23.099 1.919 0.667 0.827 0.864 0.636 CB 1.343 23 residues pruned to eliminate duplicates Z: 23 25.682 1.919 0.584 0.860 0.955 0.773 CB 1.387 23 residues pruned to eliminate duplicates Z: 11 4.256 1.688 0.071 0.275 0.700 0.400 CA 1.373 11 residues pruned to eliminate duplicates Z: 35 22.594 1.893 0.548 0.638 0.912 0.588 CB 1.274 35 residues pruned to eliminate duplicates Z: 10 7.645 1.681 0.076 0.700 1.000 0.778 CA 1.175 10 residues pruned to eliminate duplicates Z: 14 20.024 1.755 0.943 0.905 1.000 0.923 CA 1.159 13 residues pruned to eliminate duplicates Z: 7 3.743 1.631 0.362 0.688 0.667 0.500 CB 0.869 Z: 53 27.510 2.012 0.597 0.556 0.846 0.635 CB 1.329 53 residues pruned to eliminate duplicates Z: 12 25.301 1.964 1.018 0.862 1.000 0.818 CA 1.413 14 residues pruned to eliminate duplicates Z: 40 33.172 2.083 0.893 0.539 0.949 0.513 CB 1.366 41 residues pruned to eliminate duplicates Z: 7 10.494 1.685 0.697 0.770 1.000 0.833 CA 1.179 7 residues pruned to eliminate duplicates Z: 46 20.481 1.889 0.481 0.485 0.844 0.644 CB 1.313 46 residues pruned to eliminate duplicates Z: 8 4.000 1.681 0.285 0.294 0.714 0.429 CB 1.234 Z: 26 18.729 1.944 0.702 0.389 0.840 0.560 CB 1.516 26 residues pruned to eliminate duplicates Z: 23 14.435 1.810 0.469 0.430 0.955 0.455 CB 1.304 23 residues pruned to eliminate duplicates Z: 15 9.378 1.684 0.606 0.466 0.857 0.500 CB 1.120 12 residues pruned to eliminate duplicates Z: 34 16.279 1.851 0.599 0.367 0.879 0.606 CB 1.256 34 residues pruned to eliminate duplicates Z: 12 7.390 1.645 0.641 0.448 0.909 0.636 CB 0.958 Z: 6 7.555 1.792 0.529 0.807 1.000 0.400 CA 0.943 6 residues pruned to eliminate duplicates Z: 8 3.983 1.789 0.389 0.681 0.429 0.429 CA 1.197 8 residues pruned to eliminate duplicates Z: 6 8.048 1.484 0.519 0.824 1.000 1.000 CA 1.206 6 residues pruned to eliminate duplicates Z: 34 28.904 2.021 0.785 0.485 0.909 0.576 CB 1.558 34 residues pruned to eliminate duplicates Z: 8 12.694 1.852 0.863 0.610 0.857 0.714 CB 1.461 9 residues pruned to eliminate duplicates Z: 10 8.149 1.540 0.386 0.768 0.889 0.667 CA 1.129 Z: 14 12.671 1.920 0.711 0.371 0.846 0.538 CB 1.452 14 residues pruned to eliminate duplicates Z: 15 18.684 1.932 0.770 0.699 0.929 0.786 CB 1.311 15 residues pruned to eliminate duplicates 6 1.888 1.121 1.070 0.752 0.800 0.800 C 0.363 ? Z: 38 22.114 1.886 0.683 0.447 0.919 0.486 CB 1.316 38 residues pruned to eliminate duplicates Z: 9 11.147 1.653 0.558 0.836 1.000 0.750 CA 1.145 9 residues pruned to eliminate duplicates Z: 18 9.852 1.779 0.742 0.443 0.706 0.353 CB 1.158 18 residues pruned to eliminate duplicates Z: 8 6.426 1.863 0.778 0.582 0.857 0.571 CB 0.790 8 residues pruned to eliminate duplicates Z: 12 13.310 1.721 0.451 0.796 0.909 0.727 CA 1.363 12 residues pruned to eliminate duplicates Z: 8 7.415 1.652 0.790 0.620 0.857 0.714 CB 0.987 Z: 6 6.799 1.950 0.458 0.428 1.000 0.800 CB 1.152 6 residues pruned to eliminate duplicates Z: 11 14.472 1.851 0.454 0.924 1.000 0.800 CB 1.194 11 residues pruned to eliminate duplicates Z: 42 18.914 1.915 0.625 0.423 0.780 0.610 CB 1.318 42 residues pruned to eliminate duplicates Z: 20 18.270 1.895 0.680 0.579 0.895 0.737 CB 1.363 20 residues pruned to eliminate duplicates Z: 27 20.128 1.897 0.778 0.622 0.885 0.692 CB 1.179 27 residues pruned to eliminate duplicates Z: 10 16.593 2.107 0.302 0.892 1.000 1.000 CB 1.449 10 residues pruned to eliminate duplicates Z: 12 14.403 1.971 0.394 0.899 1.000 1.000 CA 1.130 12 residues pruned to eliminate duplicates Z: 14 18.900 1.892 0.755 0.868 1.000 0.846 CB 1.154 14 residues pruned to eliminate duplicates Z: 39 18.370 1.776 0.528 0.459 0.947 0.500 CB 1.209 39 residues pruned to eliminate duplicates Z: 15 10.887 1.657 0.519 0.728 0.929 0.500 CB 1.014 15 residues pruned to eliminate duplicates 6 1.932 1.356 0.528 0.293 0.800 0.400 CB 0.657 ? Z: 10 12.055 1.578 0.579 0.839 1.000 0.778 CA 1.204 10 residues pruned to eliminate duplicates Z: 15 9.872 1.654 0.401 0.636 0.857 0.500 CA 1.170 15 residues pruned to eliminate duplicates Z: 38 25.703 1.933 0.519 0.591 0.946 0.703 CB 1.395 38 residues pruned to eliminate duplicates Z: 7 8.460 1.790 0.555 0.551 0.833 0.500 CB 1.417 7 residues pruned to eliminate duplicates Z: 41 25.801 1.993 0.494 0.575 0.900 0.550 CB 1.416 41 residues pruned to eliminate duplicates Z: 14 8.881 1.758 0.436 0.296 0.923 0.385 CB 1.328 14 residues pruned to eliminate duplicates 6 1.768 1.565 0.071 0.563 0.800 0.800 CB 0.555 ? Z: 42 35.186 2.081 0.930 0.488 0.951 0.537 CB 1.456 42 residues pruned to eliminate duplicates Z: 30 21.593 1.941 0.585 0.442 0.966 0.586 CB 1.433 30 residues pruned to eliminate duplicates Z: 8 3.065 1.416 0.549 0.336 0.714 0.571 CA 0.884 Z: 16 7.252 1.678 0.316 0.463 0.933 0.667 CA 0.944 21 residues pruned to eliminate duplicates Z: 11 26.600 1.971 1.193 0.924 0.900 0.800 CB 1.519 11 residues pruned to eliminate duplicates Z: 30 28.347 2.044 0.800 0.585 0.897 0.586 CB 1.471 30 residues pruned to eliminate duplicates Z: 12 10.374 1.871 0.329 0.594 0.909 0.455 CB 1.265 12 residues pruned to eliminate duplicates Z: 12 7.352 1.702 0.402 0.413 0.818 0.545 CB 1.244 12 residues pruned to eliminate duplicates Z: 8 4.713 1.525 0.690 0.417 0.714 0.571 CB 1.055 Z: 8 10.577 1.552 0.642 0.890 1.000 0.714 CA 1.129 8 residues pruned to eliminate duplicates Z: 12 16.619 2.086 0.415 0.893 1.000 0.909 CA 1.218 12 residues pruned to eliminate duplicates Z: 22 31.275 2.067 0.850 0.868 1.000 0.619 CA 1.305 22 residues pruned to eliminate duplicates Z: 6 2.720 1.471 0.333 0.571 0.800 0.600 CA 0.725 6 residues pruned to eliminate duplicates Z: 41 25.237 1.917 0.733 0.470 0.925 0.475 CB 1.338 41 residues pruned to eliminate duplicates Z: 38 19.096 1.817 0.598 0.462 0.919 0.622 CB 1.224 38 residues pruned to eliminate duplicates Z: 13 28.728 2.077 1.191 0.890 1.000 0.917 CA 1.312 13 residues pruned to eliminate duplicates Z: 11 11.346 1.560 0.655 0.650 1.000 0.800 CB 1.209 11 residues pruned to eliminate duplicates Z: 59 29.527 1.924 0.661 0.559 0.948 0.603 CB 1.209 58 residues pruned to eliminate duplicates Z: 11 16.762 1.899 0.788 0.919 0.900 0.800 CB 1.222 11 residues pruned to eliminate duplicates Z: 12 9.739 1.742 0.313 0.483 0.909 0.545 CB 1.437 12 residues pruned to eliminate duplicates Z: 10 17.679 1.914 0.542 0.762 1.000 0.667 CB 1.581 10 residues pruned to eliminate duplicates Z: 7 6.902 1.797 0.772 0.599 0.833 0.667 CB 0.966 7 residues pruned to eliminate duplicates Z: 23 20.318 1.943 0.728 0.423 0.909 0.682 CB 1.539 23 residues pruned to eliminate duplicates Z: 9 5.682 1.406 1.113 0.385 0.875 0.625 CA 0.873 6 residues pruned to eliminate duplicates Z: 8 4.251 1.712 0.459 0.446 0.714 0.571 CB 0.952 Z: 16 19.580 1.944 0.726 0.699 1.000 0.867 CA 1.256 16 residues pruned to eliminate duplicates Z: 32 26.801 1.918 0.763 0.538 1.000 0.484 CB 1.371 32 residues pruned to eliminate duplicates Z: 23 14.751 1.722 0.421 0.628 0.818 0.682 CB 1.393 31 residues pruned to eliminate duplicates Z: 11 11.806 1.592 0.955 0.864 0.900 0.700 CB 0.978 11 residues pruned to eliminate duplicates Z: 23 13.813 1.790 0.484 0.386 0.909 0.636 CB 1.377 23 residues pruned to eliminate duplicates Z: 12 15.100 1.815 0.380 0.866 0.909 0.909 CA 1.463 12 residues pruned to eliminate duplicates Z: 6 2.959 1.716 0.061 0.474 1.000 0.600 CB 0.746 Z: 7 2.043 1.549 0.618 0.210 0.500 0.333 CB 0.937 Z: 22 20.327 1.913 0.497 0.861 0.905 0.667 CB 1.258 22 residues pruned to eliminate duplicates Z: 8 3.109 1.417 0.606 0.273 0.857 0.429 CB 0.779 Z: 11 12.397 1.903 0.489 0.484 0.900 0.600 O 1.562 11 residues pruned to eliminate duplicates Z: 8 13.044 1.735 0.669 0.796 1.000 0.714 CA 1.314 8 residues pruned to eliminate duplicates Z: 21 12.703 1.804 0.597 0.309 0.850 0.400 CA 1.433 21 residues pruned to eliminate duplicates Z: 25 12.412 1.789 0.677 0.319 0.833 0.542 CB 1.238 25 residues pruned to eliminate duplicates Z: 9 4.966 1.576 0.220 0.422 1.000 0.625 N 0.991 Z: 15 7.355 1.718 0.721 0.463 0.786 0.571 CB 0.879 15 residues pruned to eliminate duplicates Z: 9 14.121 1.620 0.841 0.880 1.000 0.875 CB 1.213 9 residues pruned to eliminate duplicates Z: 14 4.691 1.474 0.202 0.344 0.846 0.615 CA 1.028 11 residues pruned to eliminate duplicates Z: 7 5.840 1.723 0.479 0.381 0.833 0.500 N 1.275 Z: 7 4.099 1.606 -0.004 0.356 1.000 0.667 CA 1.222 7 residues pruned to eliminate duplicates Z: 11 3.384 1.488 0.396 0.267 0.700 0.500 CB 0.960 11 residues pruned to eliminate duplicates Z: 24 29.493 1.965 0.944 0.872 1.000 0.783 CB 1.174 24 residues pruned to eliminate duplicates Z: 23 23.343 1.901 0.638 0.843 0.955 0.591 CB 1.247 23 residues pruned to eliminate duplicates Z: 34 20.366 1.876 0.636 0.471 0.909 0.667 CB 1.308 34 residues pruned to eliminate duplicates Z: 34 26.913 1.990 0.696 0.535 0.939 0.697 CB 1.428 34 residues pruned to eliminate duplicates Z: 41 29.868 1.947 0.840 0.563 0.875 0.550 CB 1.416 41 residues pruned to eliminate duplicates Z: 11 12.704 1.694 1.082 0.563 0.900 0.600 CA 1.191 11 residues pruned to eliminate duplicates Z: 10 11.643 1.536 0.718 0.898 1.000 0.444 CB 1.052 10 residues pruned to eliminate duplicates Z: 8 12.698 1.830 0.589 0.727 1.000 1.000 CB 1.345 8 residues pruned to eliminate duplicates Z: 20 9.894 1.723 0.597 0.287 0.789 0.526 CB 1.327 23 residues pruned to eliminate duplicates Z: 8 3.566 1.302 0.570 0.381 0.857 0.429 N 0.874 Z: 15 10.033 1.965 0.441 0.347 0.786 0.643 CB 1.422 15 residues pruned to eliminate duplicates Z: 12 15.222 1.717 0.499 0.840 1.000 0.818 CB 1.331 11 residues pruned to eliminate duplicates Z: 8 8.805 1.843 0.419 0.643 1.000 0.857 CB 1.113 7 residues pruned to eliminate duplicates Z: 8 6.362 1.607 0.385 0.745 0.857 0.857 CA 1.013 8 residues pruned to eliminate duplicates Z: 7 7.602 1.737 0.679 0.800 0.833 0.667 CA 0.983 7 residues pruned to eliminate duplicates Z: 10 9.760 1.505 0.603 0.800 0.889 0.889 CB 1.167 10 residues pruned to eliminate duplicates Z: 38 23.034 1.942 0.648 0.421 0.946 0.568 CB 1.358 38 residues pruned to eliminate duplicates Z: 8 7.572 1.668 0.523 0.791 0.857 0.857 CA 1.018 8 residues pruned to eliminate duplicates Z: 15 7.240 1.868 0.354 0.385 0.786 0.571 CB 1.100 15 residues pruned to eliminate duplicates Z: 10 12.602 1.680 0.920 0.657 1.000 0.667 CA 1.125 15 residues pruned to eliminate duplicates Z: 7 3.688 1.585 0.283 0.260 0.833 0.333 CB 1.169 Z: 24 12.153 1.743 0.591 0.542 0.870 0.391 CB 1.008 24 residues pruned to eliminate duplicates Z: 9 3.291 1.402 0.412 0.189 0.750 0.375 CB 1.136 Z: 20 15.946 1.958 0.641 0.475 0.842 0.632 CB 1.386 20 residues pruned to eliminate duplicates Z: 41 32.529 2.057 0.664 0.605 0.925 0.675 CA 1.470 41 residues pruned to eliminate duplicates Z: 9 7.262 1.514 0.141 0.884 1.000 0.875 CA 1.073 Z: 8 11.074 1.716 0.745 0.624 1.000 0.429 CA 1.243 8 residues pruned to eliminate duplicates Z: 48 23.380 1.937 0.489 0.543 0.872 0.596 CB 1.300 48 residues pruned to eliminate duplicates Z: 6 8.388 1.955 0.598 0.666 1.000 0.800 CB 1.030 6 residues pruned to eliminate duplicates Z: 16 9.467 1.740 0.531 0.572 0.867 0.600 CB 0.987 16 residues pruned to eliminate duplicates Z: 23 21.530 1.891 0.356 0.878 1.000 0.818 CA 1.299 23 residues pruned to eliminate duplicates Z: 13 16.909 1.666 0.592 0.886 1.000 0.833 CA 1.327 13 residues pruned to eliminate duplicates Z: 11 6.376 1.621 0.490 0.463 0.900 0.500 CA 0.963 Z: 14 8.923 1.620 0.644 0.673 0.846 0.692 CB 0.936 14 residues pruned to eliminate duplicates Z: 10 8.705 1.685 0.235 0.589 1.000 0.333 N 1.281 10 residues pruned to eliminate duplicates Z: 13 23.976 2.037 0.755 0.833 1.000 0.917 CA 1.452 13 residues pruned to eliminate duplicates Z: 23 29.020 1.949 0.731 0.874 1.000 0.864 CA 1.335 23 residues pruned to eliminate duplicates Z: 23 30.552 1.916 1.069 0.850 0.955 0.682 CB 1.276 23 residues pruned to eliminate duplicates Z: 12 22.010 1.823 0.756 0.841 1.000 0.545 N 1.546 12 residues pruned to eliminate duplicates Z: 21 22.062 1.945 0.652 0.840 0.900 0.800 CB 1.274 21 residues pruned to eliminate duplicates Z: 42 25.395 1.979 0.725 0.449 0.854 0.537 CB 1.435 42 residues pruned to eliminate duplicates Z: 9 10.373 1.552 0.708 0.845 1.000 0.750 CA 1.029 9 residues pruned to eliminate duplicates Z: 28 27.265 2.049 0.752 0.525 0.926 0.630 CB 1.540 28 residues pruned to eliminate duplicates Z: 35 30.934 2.072 0.807 0.507 0.941 0.529 CB 1.495 35 residues pruned to eliminate duplicates Z: 7 10.716 1.916 0.352 0.867 1.000 0.667 CB 1.235 7 residues pruned to eliminate duplicates Z: 19 13.378 1.870 0.708 0.470 0.778 0.556 CB 1.309 19 residues pruned to eliminate duplicates Z: 13 8.924 1.621 0.998 0.405 0.917 0.417 CB 0.958 8 residues pruned to eliminate duplicates Z: 36 24.174 1.889 0.896 0.521 0.943 0.514 CB 1.185 36 residues pruned to eliminate duplicates Z: 8 5.638 1.480 0.354 0.809 0.714 0.714 CB 1.138 8 residues pruned to eliminate duplicates Z: 6 2.492 1.542 0.519 0.295 0.600 0.600 O 0.997 Z: 33 16.341 1.867 0.467 0.397 0.875 0.594 CB 1.344 34 residues pruned to eliminate duplicates Z: 9 2.963 1.589 0.368 0.255 0.625 0.625 CB 1.022 Z: 17 9.796 1.580 0.614 0.487 0.812 0.500 CA 1.197 17 residues pruned to eliminate duplicates Z: 30 20.147 1.897 0.531 0.579 0.897 0.621 CB 1.332 30 residues pruned to eliminate duplicates Z: 9 6.773 1.801 0.280 0.342 1.000 0.875 CA 1.234 9 residues pruned to eliminate duplicates Z: 8 3.795 1.602 0.499 0.364 0.714 0.429 CB 0.968 8 residues pruned to eliminate duplicates Z: 6 3.828 1.523 0.473 0.299 0.800 0.600 CA 1.194 Z: 39 32.487 2.086 0.796 0.556 0.895 0.605 CB 1.489 39 residues pruned to eliminate duplicates 6 1.399 1.768 0.449 0.686 0.800 0.800 CB 0.257 ? Z: 41 30.224 2.003 0.785 0.525 0.975 0.500 CB 1.338 41 residues pruned to eliminate duplicates Z: 14 9.141 1.739 0.426 0.413 0.846 0.615 CB 1.324 14 residues pruned to eliminate duplicates Z: 11 12.062 1.827 0.818 0.906 1.000 0.800 CB 0.817 11 residues pruned to eliminate duplicates Z: 8 7.021 1.576 0.516 0.679 0.857 0.714 CB 1.099 8 residues pruned to eliminate duplicates Z: 6 3.654 1.742 -0.108 0.684 1.000 0.600 CB 0.888 Z: 31 24.483 1.874 0.779 0.601 0.900 0.567 CA 1.352 31 residues pruned to eliminate duplicates Z: 22 17.435 1.884 0.566 0.714 0.810 0.714 CB 1.312 22 residues pruned to eliminate duplicates Z: 42 31.603 2.079 0.828 0.467 0.902 0.585 CB 1.488 42 residues pruned to eliminate duplicates Z: 31 29.115 2.018 0.914 0.523 0.933 0.500 CB 1.442 31 residues pruned to eliminate duplicates Z: 15 15.443 2.021 0.699 0.455 0.857 0.500 CB 1.470 15 residues pruned to eliminate duplicates Z: 26 25.181 1.985 0.882 0.641 0.880 0.720 CA 1.343 26 residues pruned to eliminate duplicates Z: 7 6.100 1.687 0.224 0.813 1.000 0.667 CA 0.919 7 residues pruned to eliminate duplicates Z: 14 12.680 1.585 0.524 0.845 0.923 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 27 15.393 1.862 0.580 0.314 0.885 0.692 CA 1.426 27 residues pruned to eliminate duplicates Z: 42 29.989 1.988 0.857 0.504 0.902 0.537 CB 1.399 42 residues pruned to eliminate duplicates Z: 6 3.089 1.563 0.330 0.500 0.800 0.400 CB 0.831 Z: 6 3.307 1.566 0.312 0.673 1.000 1.000 CB 0.614 Z: 13 4.757 1.749 0.275 0.345 0.667 0.417 CB 1.093 13 residues pruned to eliminate duplicates Z: 7 4.718 1.587 0.094 0.474 1.000 0.167 CB 1.139 Z: 6 2.222 1.710 0.541 0.871 1.000 1.000 CB 0.275 Z: 42 20.846 1.793 0.496 0.615 0.902 0.634 CB 1.206 49 residues pruned to eliminate duplicates Z: 42 30.785 1.983 0.717 0.567 0.902 0.732 CB 1.466 42 residues pruned to eliminate duplicates Z: 12 10.504 1.692 0.755 0.756 0.909 0.636 CB 0.934 12 residues pruned to eliminate duplicates Z: 17 18.248 2.067 0.803 0.323 1.000 0.438 CA 1.487 17 residues pruned to eliminate duplicates Z: 12 11.784 1.846 0.582 0.450 0.909 0.636 CB 1.409 12 residues pruned to eliminate duplicates Z: 17 17.103 1.965 0.670 0.501 0.875 0.625 CB 1.488 17 residues pruned to eliminate duplicates Z: 9 11.964 2.033 0.158 0.870 1.000 0.875 CA 1.311 9 residues pruned to eliminate duplicates Z: 7 3.535 1.549 0.696 0.413 0.833 0.500 CB 0.722 Z: 8 9.718 1.627 0.584 0.864 1.000 0.857 CA 1.045 6 residues pruned to eliminate duplicates Z: 10 6.997 1.642 0.336 0.739 1.000 0.667 CA 0.858 10 residues pruned to eliminate duplicates Z: 26 17.064 1.890 0.563 0.465 0.880 0.560 CB 1.360 26 residues pruned to eliminate duplicates Z: 6 2.188 1.693 -0.380 0.462 0.800 0.600 CB 1.212 Z: 41 24.247 1.935 0.613 0.478 0.875 0.575 CB 1.435 41 residues pruned to eliminate duplicates Z: 7 7.823 1.697 0.534 0.781 0.833 0.833 CA 1.149 7 residues pruned to eliminate duplicates Z: 8 5.499 1.288 0.691 0.720 0.714 0.571 N 1.095 Z: 11 12.803 1.751 0.768 0.849 0.900 0.800 CB 1.077 11 residues pruned to eliminate duplicates Z: 6 2.684 1.639 0.172 0.628 1.000 0.800 CB 0.554 Z: 8 5.663 1.534 0.787 0.403 0.714 0.571 CA 1.211 8 residues pruned to eliminate duplicates Z: 17 10.517 1.684 0.441 0.362 0.875 0.625 CB 1.437 11 residues pruned to eliminate duplicates Z: 17 11.286 1.843 0.565 0.564 0.875 0.625 CB 1.050 17 residues pruned to eliminate duplicates Z: 15 20.303 1.858 0.845 0.704 0.929 0.643 CA 1.416 15 residues pruned to eliminate duplicates Z: 6 8.088 1.733 0.409 0.852 1.000 1.000 CA 1.096 6 residues pruned to eliminate duplicates Z: 44 33.298 2.007 0.759 0.592 0.953 0.721 CA 1.381 44 residues pruned to eliminate duplicates Z: 37 20.849 1.906 0.765 0.436 0.833 0.389 CB 1.324 37 residues pruned to eliminate duplicates Z: 21 9.406 1.742 0.659 0.460 0.800 0.550 CB 0.947 21 residues pruned to eliminate duplicates Z: 33 17.777 1.900 0.399 0.375 0.969 0.625 CA 1.395 33 residues pruned to eliminate duplicates Z: 6 3.397 1.177 0.715 0.769 1.000 1.000 CB 0.593 Z: 12 8.317 1.747 0.368 0.386 0.909 0.545 CA 1.303 12 residues pruned to eliminate duplicates Z: 7 3.909 1.458 0.094 0.681 0.667 0.333 CB 1.270 7 residues pruned to eliminate duplicates Z: 9 7.151 1.628 0.608 0.411 0.875 0.500 CB 1.212 5 residues pruned to eliminate duplicates Z: 12 12.533 1.877 0.216 0.857 1.000 0.909 CB 1.220 12 residues pruned to eliminate duplicates Z: 7 8.905 1.691 0.614 0.848 1.000 0.500 CB 0.988 7 residues pruned to eliminate duplicates Z: 24 20.901 1.981 0.517 0.595 0.957 0.696 CB 1.384 24 residues pruned to eliminate duplicates Z: 18 13.011 2.016 0.657 0.395 0.824 0.412 CB 1.283 18 residues pruned to eliminate duplicates Z: 7 4.152 1.350 0.628 0.585 0.833 0.833 CB 0.853 Z: 15 19.616 1.977 0.800 0.662 0.929 0.643 CA 1.366 15 residues pruned to eliminate duplicates Z: 16 12.494 2.006 0.608 0.278 0.933 0.467 CB 1.377 16 residues pruned to eliminate duplicates Z: 29 18.390 1.975 0.566 0.427 0.857 0.571 CA 1.413 29 residues pruned to eliminate duplicates Z: 7 6.343 1.471 0.781 0.659 0.833 0.667 CB 1.023 Z: 8 10.257 1.753 0.115 0.881 1.000 1.000 CB 1.436 8 residues pruned to eliminate duplicates Z: 14 16.936 1.879 0.578 0.793 0.923 0.692 CB 1.327 14 residues pruned to eliminate duplicates Z: 7 6.970 1.508 0.367 0.860 1.000 0.833 CB 1.015 7 residues pruned to eliminate duplicates Z: 37 19.610 1.834 0.557 0.492 0.917 0.694 CB 1.258 36 residues pruned to eliminate duplicates Z: 6 6.514 1.691 0.613 0.873 1.000 0.800 CB 0.778 6 residues pruned to eliminate duplicates Z: 7 3.320 1.331 0.427 0.271 1.000 0.500 N 0.926 7 residues pruned to eliminate duplicates Z: 9 10.249 1.825 0.442 0.650 0.875 0.750 CA 1.368 9 residues pruned to eliminate duplicates Z: 6 2.037 1.241 0.105 0.245 1.000 0.600 CB 0.893 Z: 9 4.499 1.461 0.767 0.293 0.750 0.625 N 1.036 Z: 10 7.972 1.588 0.723 0.636 0.889 0.667 CB 0.961 10 residues pruned to eliminate duplicates Z: 28 12.640 1.679 0.464 0.464 0.852 0.630 CB 1.205 28 residues pruned to eliminate duplicates Z: 25 15.812 1.833 0.752 0.555 0.833 0.625 CB 1.143 23 residues pruned to eliminate duplicates Z: 6 7.823 1.607 0.299 0.854 1.000 1.000 CB 1.237 6 residues pruned to eliminate duplicates Z: 11 8.039 1.614 0.739 0.537 0.900 0.400 CB 0.970 13 residues pruned to eliminate duplicates Z: 6 6.148 1.596 0.662 0.770 0.800 0.800 C 1.020 Z: 27 15.622 1.859 0.544 0.444 0.885 0.500 CB 1.278 27 residues pruned to eliminate duplicates Z: 22 15.861 1.903 0.675 0.394 0.857 0.286 CA 1.416 22 residues pruned to eliminate duplicates Z: 11 6.651 1.632 0.433 0.426 1.000 0.900 CB 0.970 Z: 20 17.106 1.829 0.622 0.681 0.947 0.579 CB 1.183 20 residues pruned to eliminate duplicates Z: 21 18.417 2.059 0.480 0.362 0.950 0.350 N 1.651 21 residues pruned to eliminate duplicates Z: 33 25.321 1.898 0.777 0.575 0.875 0.625 CA 1.412 33 residues pruned to eliminate duplicates Z: 41 32.180 1.994 0.871 0.485 0.950 0.600 CB 1.457 41 residues pruned to eliminate duplicates Z: 8 6.113 1.492 0.763 0.509 0.857 0.571 N 1.016 Z: 24 25.678 1.845 0.658 0.760 1.000 0.783 CA 1.389 24 residues pruned to eliminate duplicates Z: 12 9.617 1.599 0.952 0.395 0.818 0.636 CB 1.268 12 residues pruned to eliminate duplicates Z: 13 16.920 1.902 0.495 0.884 1.000 1.000 CA 1.241 13 residues pruned to eliminate duplicates Z: 10 9.965 1.861 0.538 0.669 0.889 0.778 CA 1.117 10 residues pruned to eliminate duplicates Z: 27 11.551 1.763 0.401 0.340 0.846 0.500 CB 1.290 27 residues pruned to eliminate duplicates Z: 35 13.469 1.751 0.326 0.424 0.912 0.500 CB 1.181 34 residues pruned to eliminate duplicates Z: 6 3.819 1.395 0.744 0.443 0.800 0.600 CB 0.930 Z: 22 23.039 1.947 0.408 0.895 0.952 0.905 CA 1.381 22 residues pruned to eliminate duplicates Z: 18 5.559 1.569 0.352 0.254 0.706 0.588 CB 1.193 18 residues pruned to eliminate duplicates Z: 23 21.296 1.952 0.392 0.859 0.818 0.727 CB 1.503 23 residues pruned to eliminate duplicates Z: 8 4.386 1.370 0.625 0.352 0.857 0.286 N 1.019 Z: 7 2.633 1.203 0.313 0.389 1.000 0.167 CB 0.766 Z: 10 3.329 1.616 0.017 0.385 0.778 0.556 CB 0.981 Z: 20 12.468 1.787 0.419 0.664 0.947 0.632 CB 1.023 20 residues pruned to eliminate duplicates Z: 23 29.985 2.021 0.665 0.872 1.000 0.773 CB 1.385 23 residues pruned to eliminate duplicates Z: 41 31.130 2.000 0.767 0.504 0.950 0.525 CB 1.460 42 residues pruned to eliminate duplicates Z: 23 24.910 1.903 0.581 0.863 0.955 0.727 CB 1.357 23 residues pruned to eliminate duplicates Z: 6 4.152 1.717 0.356 0.723 0.600 0.200 CB 1.087 Z: 28 21.813 1.857 0.619 0.715 0.963 0.667 CA 1.193 28 residues pruned to eliminate duplicates Z: 23 30.350 2.060 0.914 0.826 0.955 0.591 CB 1.297 23 residues pruned to eliminate duplicates Z: 24 22.687 1.883 0.506 0.868 1.000 0.826 CB 1.219 24 residues pruned to eliminate duplicates Z: 10 5.581 1.801 0.483 0.236 0.889 0.333 CB 1.065 9 residues pruned to eliminate duplicates Z: 11 11.106 1.819 0.442 0.441 1.000 0.400 CB 1.422 Z: 12 13.247 1.738 0.561 0.842 1.000 0.727 CB 1.097 12 residues pruned to eliminate duplicates Z: 14 14.484 1.787 0.596 0.621 1.000 0.615 CA 1.256 14 residues pruned to eliminate duplicates Z: 23 26.159 2.012 0.589 0.864 1.000 0.818 CA 1.279 23 residues pruned to eliminate duplicates Z: 10 15.170 1.715 0.621 0.911 1.000 0.889 CA 1.288 10 residues pruned to eliminate duplicates Z: 7 7.345 1.748 1.194 0.306 0.833 0.500 CB 1.165 6 residues pruned to eliminate duplicates Z: 11 21.353 1.881 1.016 0.922 1.000 0.900 CB 1.253 11 residues pruned to eliminate duplicates 7 1.716 1.233 -0.130 0.253 1.000 0.833 N 0.867 ? Z: 9 7.330 1.685 0.623 0.679 1.000 0.750 CB 0.804 Z: 6 3.767 1.804 0.312 0.478 1.000 0.400 CB 0.728 Z: 36 21.701 1.847 0.458 0.572 0.886 0.686 CB 1.434 36 residues pruned to eliminate duplicates Z: 10 6.956 1.660 0.275 0.635 0.889 0.667 CB 1.086 9 residues pruned to eliminate duplicates Z: 6 3.825 1.258 0.266 0.822 1.000 0.600 CB 0.812 6 residues pruned to eliminate duplicates Z: 7 8.398 1.752 0.428 0.543 1.000 0.667 CB 1.313 Z: 15 14.893 1.873 0.637 0.552 0.857 0.500 CB 1.439 15 residues pruned to eliminate duplicates Z: 6 2.757 1.634 0.052 0.430 0.600 0.600 CA 1.285 Z: 11 3.658 1.487 0.171 0.391 0.800 0.500 CB 0.932 11 residues pruned to eliminate duplicates Z: 12 9.150 1.439 0.849 0.793 0.909 0.636 CB 0.882 12 residues pruned to eliminate duplicates Z: 17 7.815 1.712 0.328 0.401 0.812 0.500 CB 1.174 17 residues pruned to eliminate duplicates Z: 13 14.891 1.551 0.650 0.785 1.000 0.750 CA 1.307 13 residues pruned to eliminate duplicates Z: 22 31.009 2.047 0.674 0.906 1.000 0.857 CB 1.404 22 residues pruned to eliminate duplicates Z: 21 25.819 1.911 1.022 0.859 0.950 0.550 CB 1.157 21 residues pruned to eliminate duplicates Z: 8 2.554 1.890 0.426 0.328 0.857 0.429 CB 0.504 8 residues pruned to eliminate duplicates Z: 7 2.569 1.596 1.244 0.610 0.833 0.667 CB 0.317 Z: 24 16.858 1.862 0.861 0.375 0.913 0.478 CB 1.270 25 residues pruned to eliminate duplicates Z: 13 8.870 1.785 0.575 0.321 0.917 0.417 CB 1.209 13 residues pruned to eliminate duplicates Z: 13 15.294 1.896 0.507 0.848 1.000 0.833 CA 1.146 13 residues pruned to eliminate duplicates Z: 44 22.125 1.909 0.504 0.509 0.884 0.605 CB 1.318 44 residues pruned to eliminate duplicates Z: 7 2.373 1.445 0.236 0.368 0.667 0.333 N 0.937 Z: 33 17.450 1.762 0.538 0.602 0.938 0.594 CB 1.102 33 residues pruned to eliminate duplicates Z: 23 28.548 1.975 0.740 0.807 0.909 0.682 CB 1.491 23 residues pruned to eliminate duplicates Z: 13 5.564 1.719 0.546 0.426 0.750 0.583 CB 0.871 Z: 37 19.338 1.893 0.637 0.379 0.917 0.556 CB 1.290 37 residues pruned to eliminate duplicates Z: 7 3.566 1.506 0.269 0.434 0.667 0.500 N 1.223 Z: 20 25.180 2.059 0.376 0.914 1.000 0.947 CA 1.441 20 residues pruned to eliminate duplicates Z: 8 7.638 1.407 1.035 0.809 1.000 0.857 CB 0.771 10 residues pruned to eliminate duplicates Z: 13 4.314 1.595 0.263 0.437 0.833 0.333 CB 0.792 Z: 12 11.681 1.741 0.480 0.665 0.909 0.455 CB 1.290 12 residues pruned to eliminate duplicates Z: 23 25.820 1.990 0.538 0.851 1.000 0.818 CA 1.332 23 residues pruned to eliminate duplicates Z: 21 33.257 1.988 0.979 0.912 1.000 0.750 CA 1.339 21 residues pruned to eliminate duplicates Z: 10 11.998 1.561 0.632 0.869 1.000 0.778 CA 1.147 10 residues pruned to eliminate duplicates Z: 10 4.585 1.630 0.639 0.261 0.778 0.444 CB 0.967 Z: 16 21.078 1.991 0.655 0.634 1.000 0.867 CB 1.456 16 residues pruned to eliminate duplicates Z: 34 19.874 1.962 0.677 0.449 0.848 0.576 CB 1.305 34 residues pruned to eliminate duplicates Z: 14 5.895 1.594 0.164 0.503 0.923 0.615 CB 0.952 14 residues pruned to eliminate duplicates Z: 21 19.787 1.882 0.520 0.789 0.850 0.700 CB 1.412 21 residues pruned to eliminate duplicates 6 0.871 1.155 0.232 0.489 0.800 0.600 CB 0.346 ? Z: 7 4.257 1.764 0.658 0.239 0.833 0.333 CB 0.965 7 residues pruned to eliminate duplicates Z: 7 4.733 1.496 0.964 0.561 0.833 0.833 CA 0.744 Z: 34 15.856 1.862 0.433 0.326 0.909 0.394 CA 1.378 34 residues pruned to eliminate duplicates Z: 6 7.300 1.769 0.567 0.556 1.000 0.600 CB 1.115 Z: 8 3.304 1.613 -0.159 0.317 1.000 0.571 CB 1.128 6 residues pruned to eliminate duplicates Z: 11 13.491 1.642 0.450 0.868 1.000 0.800 CB 1.310 11 residues pruned to eliminate duplicates 8 1.963 1.477 0.482 0.253 0.571 0.286 CB 0.788 ? Z: 22 26.008 1.989 0.631 0.864 1.000 0.905 CA 1.282 22 residues pruned to eliminate duplicates Z: 13 4.185 1.571 0.539 0.291 0.583 0.417 CB 1.083 13 residues pruned to eliminate duplicates Z: 9 3.290 1.721 0.171 0.257 0.875 0.500 CB 0.871 Z: 8 7.496 1.631 0.330 0.843 0.857 0.714 CB 1.134 8 residues pruned to eliminate duplicates Z: 14 19.390 1.718 0.857 0.875 0.923 0.692 N 1.328 14 residues pruned to eliminate duplicates Z: 13 17.393 1.892 0.430 0.850 1.000 0.667 CB 1.374 13 residues pruned to eliminate duplicates Z: 22 25.816 2.020 0.609 0.649 1.000 0.714 CA 1.508 22 residues pruned to eliminate duplicates Z: 7 3.037 1.590 1.175 0.779 1.000 0.833 CB 0.280 Z: 7 2.462 1.394 0.511 0.240 0.667 0.167 CB 0.968 Z: 10 16.971 1.829 0.811 0.926 1.000 0.556 CB 1.198 11 residues pruned to eliminate duplicates Z: 22 13.670 1.829 0.620 0.323 0.905 0.429 CB 1.353 22 residues pruned to eliminate duplicates 7 0.502 1.617 0.693 0.902 1.000 0.833 CB 0.053 ? 6 0.352 1.084 0.714 0.687 0.600 0.600 CB 0.119 ? Z: 10 2.603 1.376 0.804 0.429 0.778 0.444 CB 0.483 Z: 31 21.583 1.916 0.784 0.399 0.867 0.567 CB 1.480 31 residues pruned to eliminate duplicates Z: 6 2.534 1.382 0.214 0.396 1.000 0.400 CB 0.753 Z: 9 9.839 1.621 0.301 0.744 1.000 0.500 CA 1.326 9 residues pruned to eliminate duplicates Z: 6 3.848 1.225 0.712 0.702 0.800 0.600 N 0.853 Z: 8 2.534 1.407 0.593 0.306 0.714 0.429 CB 0.742 Z: 8 9.171 1.827 0.549 0.831 0.857 0.429 CB 1.074 8 residues pruned to eliminate duplicates Z: 6 4.676 1.376 0.620 0.701 1.000 0.600 N 0.781 Z: 7 4.071 1.431 0.459 0.393 0.833 0.333 N 1.070 Z: 6 4.593 1.356 0.258 0.691 1.000 0.400 O 1.011 6 residues pruned to eliminate duplicates Z: 23 24.540 1.913 0.629 0.840 1.000 0.591 CB 1.252 23 residues pruned to eliminate duplicates 7 1.998 1.423 -0.100 0.433 0.833 0.333 CB 0.819 ? Z: 8 5.836 1.808 0.387 0.486 0.857 0.571 CB 1.041 6 0.716 1.127 0.617 0.277 0.600 0.400 CB 0.377 ? Z: 17 9.856 1.598 0.416 0.514 0.875 0.500 CB 1.228 17 residues pruned to eliminate duplicates Z: 37 25.993 1.952 0.416 0.541 1.000 0.750 CB 1.504 37 residues pruned to eliminate duplicates Z: 31 14.335 1.843 0.572 0.338 0.833 0.600 CB 1.293 31 residues pruned to eliminate duplicates Z: 10 2.468 1.456 0.362 0.437 0.667 0.556 CB 0.664 Z: 6 2.984 1.505 0.717 0.197 0.800 0.200 CA 0.926 Z: 7 7.224 1.771 0.387 0.774 0.833 0.500 CA 1.131 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 16.203 1.804 0.678 0.833 1.000 0.714 CB 1.073 15 residues pruned to eliminate duplicates Z: 18 14.088 1.917 0.813 0.586 0.882 0.647 CB 1.026 18 residues pruned to eliminate duplicates Z: 15 28.055 2.041 1.100 0.773 1.000 0.643 CB 1.374 23 residues pruned to eliminate duplicates Z: 12 22.367 2.038 1.079 0.869 1.000 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 15 21.790 2.015 1.080 0.728 1.000 0.786 CB 1.131 15 residues pruned to eliminate duplicates Z: 19 16.567 1.931 0.742 0.609 0.889 0.778 CB 1.177 19 residues pruned to eliminate duplicates Z: 18 14.638 1.905 0.953 0.600 0.882 0.647 CB 0.983 18 residues pruned to eliminate duplicates Z: 18 13.701 1.939 0.639 0.597 0.941 0.706 CB 1.013 18 residues pruned to eliminate duplicates Z: 17 15.850 1.956 0.834 0.688 0.938 0.750 CB 0.992 17 residues pruned to eliminate duplicates Z: 22 13.724 1.881 0.704 0.529 0.857 0.524 CB 1.059 17 residues pruned to eliminate duplicates Z: 6 14.170 1.897 0.839 0.806 1.000 0.600 CB 1.391 6 residues pruned to eliminate duplicates Z: 32 26.737 2.036 0.675 0.562 0.935 0.613 CB 1.417 32 residues pruned to eliminate duplicates Z: 17 20.114 1.945 0.755 0.514 1.000 0.375 CB 1.453 17 residues pruned to eliminate duplicates Z: 6 9.485 1.891 0.751 0.766 0.800 0.200 CA 1.266 6 residues pruned to eliminate duplicates Z: 41 31.683 2.059 0.677 0.560 0.900 0.575 CB 1.521 41 residues pruned to eliminate duplicates Z: 14 13.997 1.967 0.677 0.455 0.846 0.308 CB 1.456 14 residues pruned to eliminate duplicates Z: 16 18.890 1.964 0.749 0.498 0.933 0.600 N 1.524 16 residues pruned to eliminate duplicates Z: 43 26.956 1.998 0.663 0.546 0.857 0.548 CB 1.395 43 residues pruned to eliminate duplicates Z: 42 36.805 2.031 0.915 0.547 0.976 0.585 CB 1.447 42 residues pruned to eliminate duplicates Z: 7 6.075 1.640 1.086 0.427 0.833 0.500 CA 0.938 7 residues pruned to eliminate duplicates Z: 42 33.503 2.035 0.764 0.548 0.951 0.610 CB 1.463 42 residues pruned to eliminate duplicates Z: 6 3.117 1.482 0.773 0.297 1.000 0.400 CA 0.665 6 residues pruned to eliminate duplicates Z: 41 35.945 2.087 0.749 0.544 1.000 0.625 CB 1.492 41 residues pruned to eliminate duplicates Z: 41 27.587 2.083 0.622 0.530 0.850 0.625 CB 1.475 41 residues pruned to eliminate duplicates Z: 31 28.121 2.045 0.753 0.477 0.967 0.433 CB 1.517 31 residues pruned to eliminate duplicates Z: 33 32.230 2.067 0.840 0.576 0.969 0.688 CB 1.437 33 residues pruned to eliminate duplicates Z: 43 25.998 2.017 0.712 0.504 0.881 0.476 CB 1.314 43 residues pruned to eliminate duplicates Z: 42 30.036 2.024 0.807 0.492 0.902 0.585 CB 1.433 42 residues pruned to eliminate duplicates Z: 11 27.043 2.192 1.097 0.923 0.900 0.600 CA 1.452 11 residues pruned to eliminate duplicates Z: 41 37.757 2.072 0.954 0.586 0.900 0.550 CB 1.508 41 residues pruned to eliminate duplicates Z: 13 26.561 2.015 1.056 0.851 1.000 0.583 CA 1.370 13 residues pruned to eliminate duplicates Z: 31 25.831 2.002 0.732 0.501 0.967 0.533 CB 1.406 31 residues pruned to eliminate duplicates Z: 26 23.038 2.036 1.001 0.483 0.840 0.520 CB 1.370 26 residues pruned to eliminate duplicates Z: 42 33.365 2.035 0.686 0.550 1.000 0.537 CB 1.447 42 residues pruned to eliminate duplicates Z: 41 35.817 2.060 0.841 0.530 0.975 0.525 CB 1.487 41 residues pruned to eliminate duplicates Z: 41 35.518 2.071 0.829 0.515 0.975 0.500 CB 1.499 41 residues pruned to eliminate duplicates Z: 17 23.166 1.971 0.867 0.720 0.938 0.688 CA 1.376 17 residues pruned to eliminate duplicates Z: 26 28.801 2.073 0.829 0.614 0.960 0.560 CB 1.421 26 residues pruned to eliminate duplicates Z: 41 33.267 2.066 0.774 0.545 0.975 0.500 CB 1.408 41 residues pruned to eliminate duplicates Z: 7 2.615 1.368 0.329 0.434 0.667 0.500 CB 0.943 7 residues pruned to eliminate duplicates Z: 14 13.255 1.957 0.476 0.523 0.846 0.615 CB 1.470 14 residues pruned to eliminate duplicates Z: 15 13.690 1.953 0.523 0.573 0.786 0.571 CB 1.459 15 residues pruned to eliminate duplicates Z: 38 19.177 1.856 0.649 0.434 0.838 0.486 CB 1.316 38 residues pruned to eliminate duplicates Z: 23 26.722 2.054 0.577 0.845 0.955 0.773 CA 1.370 23 residues pruned to eliminate duplicates Z: 30 19.332 1.941 0.270 0.721 0.966 0.759 CA 1.235 36 residues pruned to eliminate duplicates Z: 22 23.528 1.947 0.570 0.791 0.952 0.714 CA 1.366 22 residues pruned to eliminate duplicates Z: 23 27.163 2.069 0.556 0.870 1.000 0.818 CA 1.314 23 residues pruned to eliminate duplicates Z: 26 25.398 2.044 0.700 0.784 0.920 0.720 CA 1.238 26 residues pruned to eliminate duplicates Z: 31 22.240 1.966 0.477 0.732 0.900 0.667 CA 1.261 26 residues pruned to eliminate duplicates Z: 21 25.131 2.002 0.628 0.888 0.950 0.850 CA 1.308 21 residues pruned to eliminate duplicates Z: 25 30.666 2.107 0.747 0.806 0.917 0.833 CA 1.420 25 residues pruned to eliminate duplicates Z: 26 35.374 2.087 0.879 0.761 0.960 0.600 CA 1.490 26 residues pruned to eliminate duplicates Z: 26 30.039 2.053 0.847 0.777 0.960 0.640 CA 1.292 26 residues pruned to eliminate duplicates Z: 42 30.399 1.961 0.814 0.651 0.878 0.463 CA 1.320 47 residues pruned to eliminate duplicates Z: 23 34.719 2.076 1.008 0.854 0.955 0.455 CA 1.374 23 residues pruned to eliminate duplicates Z: 39 31.977 1.962 0.707 0.686 0.974 0.474 CA 1.341 36 residues pruned to eliminate duplicates Z: 22 39.409 2.106 1.050 0.877 1.000 0.429 CA 1.446 22 residues pruned to eliminate duplicates Z: 26 33.341 2.052 0.977 0.756 0.960 0.440 CA 1.363 26 residues pruned to eliminate duplicates Z: 25 37.039 2.069 1.005 0.825 0.958 0.708 CA 1.435 25 residues pruned to eliminate duplicates Z: 28 33.701 2.029 0.968 0.708 0.926 0.593 CB 1.453 28 residues pruned to eliminate duplicates Z: 27 33.634 2.067 0.848 0.758 0.962 0.731 CA 1.427 27 residues pruned to eliminate duplicates Z: 27 31.079 2.055 0.780 0.744 0.962 0.615 CA 1.392 27 residues pruned to eliminate duplicates Z: 52 33.371 1.941 0.773 0.671 0.922 0.588 CB 1.258 50 residues pruned to eliminate duplicates Z: 23 33.936 2.071 1.043 0.810 0.955 0.455 CA 1.367 23 residues pruned to eliminate duplicates Z: 25 33.298 2.070 1.061 0.786 0.917 0.375 CA 1.352 25 residues pruned to eliminate duplicates Z: 19 21.661 1.996 0.506 0.780 1.000 0.944 CA 1.327 19 residues pruned to eliminate duplicates Z: 26 28.599 2.000 0.577 0.787 0.960 0.840 CB 1.468 26 residues pruned to eliminate duplicates Z: 22 23.632 2.035 0.474 0.871 0.952 0.857 CA 1.317 22 residues pruned to eliminate duplicates Z: 28 23.484 1.973 0.440 0.698 0.889 0.778 CA 1.493 28 residues pruned to eliminate duplicates Z: 26 26.332 1.965 0.609 0.777 0.920 0.800 CB 1.418 26 residues pruned to eliminate duplicates Z: 24 21.515 1.957 0.377 0.728 0.957 0.870 CA 1.417 24 residues pruned to eliminate duplicates Z: 27 23.422 1.872 0.645 0.631 0.923 0.615 CB 1.429 27 residues pruned to eliminate duplicates Z: 24 27.540 1.990 0.675 0.734 0.957 0.739 CB 1.460 24 residues pruned to eliminate duplicates Z: 24 30.093 1.988 0.868 0.747 0.957 0.565 CB 1.417 24 residues pruned to eliminate duplicates Z: 24 28.483 1.952 0.816 0.793 0.913 0.652 CB 1.419 34 residues pruned to eliminate duplicates Z: 23 35.023 1.991 0.873 0.872 1.000 0.591 CA 1.459 24 residues pruned to eliminate duplicates Z: 23 28.745 1.997 0.900 0.856 0.909 0.500 CA 1.310 23 residues pruned to eliminate duplicates Z: 35 28.176 1.995 0.791 0.629 0.882 0.765 CB 1.357 23 residues pruned to eliminate duplicates Z: 21 33.919 2.085 0.995 0.900 0.900 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 26 30.977 1.979 0.916 0.687 0.960 0.680 CB 1.434 26 residues pruned to eliminate duplicates Z: 25 28.900 2.009 0.804 0.707 0.917 0.667 CB 1.471 25 residues pruned to eliminate duplicates Z: 38 30.474 1.931 0.783 0.634 0.946 0.541 CB 1.356 35 residues pruned to eliminate duplicates Z: 22 30.204 2.031 0.983 0.906 0.857 0.571 CB 1.359 22 residues pruned to eliminate duplicates Z: 26 28.054 1.988 0.861 0.688 0.880 0.520 CB 1.451 26 residues pruned to eliminate duplicates Z: 24 28.940 1.967 0.838 0.735 0.957 0.739 CA 1.414 24 residues pruned to eliminate duplicates Z: 45 22.749 1.872 0.728 0.473 0.909 0.477 CB 1.199 87 residues pruned to eliminate duplicates Z: 16 18.023 1.824 0.679 0.675 1.000 0.467 CB 1.293 Z: 12 13.276 1.856 0.574 0.706 0.909 0.455 CB 1.250 12 residues pruned to eliminate duplicates Z: 15 15.651 1.767 0.590 0.718 0.929 0.286 CB 1.316 15 residues pruned to eliminate duplicates Z: 17 10.706 1.759 0.494 0.604 0.875 0.500 CB 1.054 18 residues pruned to eliminate duplicates Z: 7 5.610 1.515 0.541 0.469 1.000 0.667 N 1.013 7 residues pruned to eliminate duplicates Z: 26 12.544 1.859 0.639 0.344 0.800 0.520 CB 1.220 26 residues pruned to eliminate duplicates Z: 26 12.182 1.854 0.420 0.383 0.840 0.600 CB 1.248 26 residues pruned to eliminate duplicates Z: 36 22.478 1.949 0.636 0.481 1.000 0.657 CB 1.214 42 residues pruned to eliminate duplicates Z: 6 9.812 1.975 0.540 0.511 1.000 0.600 CB 1.427 6 residues pruned to eliminate duplicates Z: 37 20.431 1.913 0.655 0.491 0.917 0.694 CB 1.184 37 residues pruned to eliminate duplicates Z: 21 14.995 1.911 0.816 0.413 0.850 0.550 CB 1.245 21 residues pruned to eliminate duplicates Z: 24 12.443 1.826 0.743 0.379 0.870 0.522 CB 1.066 24 residues pruned to eliminate duplicates Z: 23 11.195 1.877 0.547 0.360 0.818 0.455 CB 1.168 23 residues pruned to eliminate duplicates Z: 18 8.399 1.795 0.517 0.220 0.765 0.353 CB 1.359 18 residues pruned to eliminate duplicates Z: 24 12.209 1.848 0.468 0.389 0.870 0.478 CB 1.214 24 residues pruned to eliminate duplicates Z: 51 16.133 1.829 0.667 0.356 0.800 0.480 CB 1.093 66 residues pruned to eliminate duplicates Z: 36 18.280 1.971 0.716 0.432 0.857 0.514 CB 1.144 36 residues pruned to eliminate duplicates Z: 37 18.986 1.936 0.644 0.468 0.861 0.639 CB 1.193 37 residues pruned to eliminate duplicates Z: 12 8.137 1.776 0.949 0.800 0.727 0.455 CB 0.749 12 residues pruned to eliminate duplicates Z: 37 10.932 1.859 0.565 0.358 0.750 0.444 CB 0.974 37 residues pruned to eliminate duplicates Z: 36 17.543 1.958 0.670 0.497 0.886 0.486 CB 1.027 36 residues pruned to eliminate duplicates Z: 36 16.590 1.906 0.767 0.520 0.771 0.514 CB 1.058 35 residues pruned to eliminate duplicates Z: 13 14.405 1.809 0.913 0.780 0.917 0.500 CB 1.025 13 residues pruned to eliminate duplicates Z: 36 18.613 1.911 0.698 0.443 0.857 0.514 CB 1.199 36 residues pruned to eliminate duplicates Z: 40 20.755 1.889 0.645 0.583 0.923 0.538 CB 1.070 40 residues pruned to eliminate duplicates Z: 16 14.971 1.912 0.757 0.686 0.867 0.600 CB 1.120 16 residues pruned to eliminate duplicates Z: 16 14.098 1.967 0.632 0.681 0.867 0.600 CB 1.107 16 residues pruned to eliminate duplicates Z: 6 5.711 1.885 0.231 0.650 1.000 1.000 CB 0.957 Z: 6 2.817 1.389 1.103 0.344 0.800 0.600 N 0.639 Z: 6 2.184 1.507 0.666 0.210 0.800 0.400 N 0.685 Z: 24 24.693 2.000 0.608 0.808 0.870 0.826 CA 1.408 24 residues pruned to eliminate duplicates Z: 34 17.988 1.824 0.589 0.437 0.848 0.545 CA 1.359 34 residues pruned to eliminate duplicates Z: 34 30.260 1.966 0.734 0.683 0.970 0.758 CB 1.347 34 residues pruned to eliminate duplicates Z: 17 10.725 1.858 0.671 0.301 0.938 0.562 CA 1.150 17 residues pruned to eliminate duplicates Z: 21 16.575 1.922 0.454 0.716 1.000 0.700 CA 1.090 21 residues pruned to eliminate duplicates Z: 32 11.612 1.748 0.467 0.310 0.935 0.548 CB 1.073 34 residues pruned to eliminate duplicates Z: 16 17.547 1.944 0.564 0.843 1.000 0.733 CA 1.109 16 residues pruned to eliminate duplicates Z: 28 20.527 1.844 0.704 0.634 0.926 0.667 CA 1.197 28 residues pruned to eliminate duplicates Z: 21 21.506 1.930 0.759 0.651 0.900 0.600 CB 1.367 21 residues pruned to eliminate duplicates Z: 18 23.281 1.980 0.697 0.667 1.000 0.706 CB 1.440 18 residues pruned to eliminate duplicates Z: 20 21.006 1.958 0.648 0.693 0.895 0.737 CA 1.399 20 residues pruned to eliminate duplicates Z: 26 21.050 1.930 0.711 0.603 0.920 0.600 CB 1.256 26 residues pruned to eliminate duplicates Z: 16 25.053 2.033 0.871 0.737 1.000 0.800 CB 1.375 16 residues pruned to eliminate duplicates Z: 28 22.699 1.893 0.860 0.528 0.889 0.630 CB 1.358 28 residues pruned to eliminate duplicates Z: 17 24.010 1.960 0.810 0.721 1.000 0.625 CA 1.386 17 residues pruned to eliminate duplicates Z: 36 23.038 1.887 0.749 0.569 0.943 0.686 CB 1.171 36 residues pruned to eliminate duplicates Z: 28 25.665 1.929 0.793 0.644 0.926 0.741 CB 1.348 28 residues pruned to eliminate duplicates Z: 16 24.511 2.028 0.813 0.813 1.000 0.733 CA 1.311 16 residues pruned to eliminate duplicates Z: 17 26.304 1.950 1.043 0.739 1.000 0.750 CA 1.332 17 residues pruned to eliminate duplicates Z: 17 23.748 2.003 0.948 0.740 0.875 0.625 CA 1.402 17 residues pruned to eliminate duplicates Z: 25 21.971 2.005 0.670 0.650 0.875 0.583 CA 1.331 25 residues pruned to eliminate duplicates Z: 26 20.061 1.921 0.620 0.629 0.880 0.560 CB 1.298 26 residues pruned to eliminate duplicates Z: 9 7.961 1.950 0.266 0.648 0.875 0.750 CB 1.135 9 residues pruned to eliminate duplicates Z: 26 25.854 1.975 0.893 0.697 0.880 0.680 CB 1.313 26 residues pruned to eliminate duplicates Z: 24 29.433 2.032 0.829 0.749 0.913 0.739 CB 1.449 24 residues pruned to eliminate duplicates Z: 26 27.379 1.993 0.719 0.718 0.960 0.600 CB 1.367 26 residues pruned to eliminate duplicates Z: 11 8.803 1.926 0.476 0.597 0.900 0.800 CB 0.991 11 residues pruned to eliminate duplicates Z: 36 23.868 1.939 0.778 0.543 0.943 0.571 CB 1.190 36 residues pruned to eliminate duplicates Z: 16 10.359 1.836 0.496 0.324 0.867 0.400 CB 1.363 16 residues pruned to eliminate duplicates Z: 19 12.459 1.890 0.443 0.358 0.944 0.500 CB 1.328 19 residues pruned to eliminate duplicates Z: 13 9.380 1.981 0.425 0.279 0.833 0.417 CB 1.477 13 residues pruned to eliminate duplicates Z: 41 30.473 2.030 0.843 0.513 0.875 0.500 CB 1.453 41 residues pruned to eliminate duplicates Z: 29 20.975 1.930 0.701 0.491 0.821 0.500 CB 1.483 29 residues pruned to eliminate duplicates Z: 15 12.637 1.926 0.636 0.470 0.857 0.429 CB 1.289 15 residues pruned to eliminate duplicates Z: 22 14.114 1.911 0.594 0.390 0.857 0.333 CB 1.325 21 residues pruned to eliminate duplicates Z: 8 3.439 1.178 0.564 0.384 0.857 0.571 N 0.932 8 residues pruned to eliminate duplicates Z: 16 15.586 1.979 0.754 0.432 0.933 0.533 CB 1.333 16 residues pruned to eliminate duplicates Z: 40 39.981 2.102 0.931 0.581 0.974 0.590 CB 1.497 42 residues pruned to eliminate duplicates Z: 7 4.402 1.505 0.393 0.432 1.000 0.500 CA 0.919 7 residues pruned to eliminate duplicates Z: 42 32.853 2.068 0.841 0.529 0.951 0.634 CB 1.377 41 residues pruned to eliminate duplicates Z: 6 3.562 1.474 0.703 0.304 1.000 0.400 CA 0.789 6 residues pruned to eliminate duplicates Z: 41 32.165 2.079 0.795 0.541 0.900 0.625 CB 1.455 41 residues pruned to eliminate duplicates Z: 41 34.170 2.071 0.914 0.550 0.900 0.475 CB 1.442 41 residues pruned to eliminate duplicates Z: 41 29.853 2.047 0.782 0.530 0.925 0.525 CB 1.358 41 residues pruned to eliminate duplicates Z: 36 28.940 2.072 0.855 0.484 0.886 0.571 CB 1.461 36 residues pruned to eliminate duplicates Z: 40 31.165 2.078 0.842 0.528 0.872 0.513 CB 1.454 41 residues pruned to eliminate duplicates Z: 14 23.873 2.025 0.990 0.804 0.923 0.538 CA 1.366 14 residues pruned to eliminate duplicates Z: 36 31.411 2.040 0.912 0.524 0.914 0.571 CB 1.454 36 residues pruned to eliminate duplicates Z: 42 31.521 2.037 0.917 0.521 0.902 0.537 CB 1.368 42 residues pruned to eliminate duplicates Z: 42 32.442 2.069 0.911 0.520 0.927 0.512 CB 1.355 42 residues pruned to eliminate duplicates Z: 41 34.584 2.032 0.969 0.526 0.950 0.575 CB 1.401 41 residues pruned to eliminate duplicates Z: 43 34.953 2.038 0.973 0.536 0.952 0.524 CB 1.360 41 residues pruned to eliminate duplicates Z: 14 27.372 1.987 1.211 0.846 1.000 0.538 CA 1.283 14 residues pruned to eliminate duplicates Z: 39 27.766 1.967 0.847 0.482 0.947 0.605 CB 1.332 40 residues pruned to eliminate duplicates Z: 16 27.202 2.086 1.145 0.692 1.000 0.533 CA 1.316 16 residues pruned to eliminate duplicates Z: 41 36.772 2.050 0.970 0.570 0.950 0.550 CB 1.417 41 residues pruned to eliminate duplicates Z: 40 35.333 2.078 0.917 0.560 0.923 0.641 CB 1.451 40 residues pruned to eliminate duplicates Z: 6 2.408 1.471 1.095 0.268 0.600 0.200 CA 0.758 6 residues pruned to eliminate duplicates Z: 42 31.137 2.056 0.876 0.505 0.927 0.537 CB 1.354 42 residues pruned to eliminate duplicates Z: 6 4.525 1.495 0.638 0.304 1.000 0.600 CA 1.028 6 residues pruned to eliminate duplicates Z: 41 33.159 2.094 0.954 0.516 0.925 0.525 CB 1.363 41 residues pruned to eliminate duplicates Z: 41 34.027 2.080 0.890 0.535 0.925 0.575 CB 1.429 41 residues pruned to eliminate duplicates Z: 21 18.104 1.917 0.599 0.681 0.950 0.700 CB 1.177 21 residues pruned to eliminate duplicates Z: 11 20.923 1.961 0.948 0.933 1.000 1.000 CB 1.209 12 residues pruned to eliminate duplicates Z: 12 17.793 1.967 0.575 0.935 1.000 0.818 CB 1.207 12 residues pruned to eliminate duplicates Z: 17 12.580 1.804 0.624 0.687 0.938 0.812 CB 0.965 16 residues pruned to eliminate duplicates Z: 12 13.945 1.894 0.558 0.904 1.000 0.909 CB 1.015 12 residues pruned to eliminate duplicates Z: 23 21.654 1.883 0.874 0.660 0.955 0.773 CB 1.182 34 residues pruned to eliminate duplicates Z: 12 20.626 1.933 0.979 0.917 1.000 0.727 CB 1.147 12 residues pruned to eliminate duplicates Z: 23 11.466 1.731 0.546 0.629 0.909 0.545 CB 0.890 23 residues pruned to eliminate duplicates Z: 24 19.160 1.859 0.843 0.638 0.913 0.565 CB 1.122 24 residues pruned to eliminate duplicates Z: 23 23.864 1.893 0.922 0.691 0.955 0.727 CB 1.230 23 residues pruned to eliminate duplicates Z: 15 15.002 1.743 0.549 0.732 0.786 0.643 CA 1.535 15 residues pruned to eliminate duplicates Z: 24 16.926 1.653 0.600 0.553 1.000 0.435 CB 1.267 27 residues pruned to eliminate duplicates Z: 13 14.106 1.771 0.509 0.838 0.833 0.833 CA 1.367 13 residues pruned to eliminate duplicates Z: 15 17.708 1.854 0.388 0.718 1.000 0.643 CA 1.509 15 residues pruned to eliminate duplicates Z: 18 12.933 1.777 0.379 0.665 0.941 0.588 CB 1.168 18 residues pruned to eliminate duplicates Z: 19 18.785 1.794 0.443 0.715 1.000 0.667 CB 1.408 22 residues pruned to eliminate duplicates Z: 14 17.720 1.697 0.518 0.875 1.000 0.692 CA 1.387 14 residues pruned to eliminate duplicates Z: 14 14.518 1.872 0.654 0.616 0.846 0.615 CB 1.377 14 residues pruned to eliminate duplicates Z: 17 19.786 1.843 0.570 0.662 1.000 0.688 CA 1.471 17 residues pruned to eliminate duplicates Z: 14 18.041 1.577 0.771 0.880 1.000 0.846 CA 1.298 14 residues pruned to eliminate duplicates Z: 20 20.701 1.791 0.605 0.676 1.000 0.684 CB 1.406 20 residues pruned to eliminate duplicates Z: 8 6.843 1.643 0.515 0.492 1.000 0.714 CA 1.047 8 residues pruned to eliminate duplicates Z: 29 18.791 1.895 0.640 0.417 0.857 0.571 CB 1.454 29 residues pruned to eliminate duplicates Z: 28 17.171 1.895 0.713 0.444 0.815 0.519 CB 1.324 28 residues pruned to eliminate duplicates Z: 26 25.235 2.003 0.850 0.487 0.960 0.720 CB 1.438 61 residues pruned to eliminate duplicates Z: 8 7.945 1.626 0.733 0.447 1.000 0.714 CA 1.125 Z: 6 4.983 1.286 1.056 0.479 1.000 0.600 O 0.861 4 residues pruned to eliminate duplicates Z: 6 7.629 1.572 1.041 0.338 1.000 0.600 CA 1.268 6 residues pruned to eliminate duplicates Z: 6 4.087 1.678 0.623 0.215 0.800 0.400 N 1.174 Z: 6 4.253 1.462 0.518 0.438 1.000 0.600 CA 0.914 4 residues pruned to eliminate duplicates Z: 6 3.873 1.494 0.761 0.295 1.000 0.600 CA 0.828 5 residues pruned to eliminate duplicates Z: 9 4.269 1.650 0.411 0.430 1.000 0.375 CB 0.698 9 residues pruned to eliminate duplicates Z: 26 21.618 1.984 0.770 0.477 0.920 0.600 CB 1.370 45 residues pruned to eliminate duplicates Z: 36 22.598 1.948 0.663 0.552 0.886 0.657 CB 1.265 36 residues pruned to eliminate duplicates Z: 12 11.968 1.741 0.536 0.856 0.909 0.545 CB 1.095 12 residues pruned to eliminate duplicates Z: 45 25.520 1.931 0.719 0.506 0.886 0.568 CB 1.300 45 residues pruned to eliminate duplicates Z: 42 28.925 1.943 0.836 0.575 0.878 0.659 CB 1.341 42 residues pruned to eliminate duplicates Z: 15 20.723 1.980 0.840 0.709 1.000 0.857 CA 1.257 15 residues pruned to eliminate duplicates Z: 13 18.746 1.759 0.977 0.905 1.000 0.917 CA 1.108 13 residues pruned to eliminate duplicates Z: 16 16.883 1.911 0.711 0.646 0.933 0.733 CB 1.246 16 residues pruned to eliminate duplicates Z: 37 24.901 1.945 0.827 0.574 0.861 0.667 CB 1.263 37 residues pruned to eliminate duplicates Z: 41 27.201 1.975 0.776 0.533 0.900 0.600 CB 1.320 41 residues pruned to eliminate duplicates Z: 16 21.753 1.974 0.977 0.728 0.933 0.800 CB 1.256 16 residues pruned to eliminate duplicates Z: 16 17.787 1.940 0.689 0.715 0.933 0.600 CB 1.236 16 residues pruned to eliminate duplicates Z: 17 18.533 1.904 0.975 0.689 0.938 0.812 CB 1.105 17 residues pruned to eliminate duplicates Z: 16 21.678 1.960 0.882 0.708 1.000 0.800 CB 1.256 16 residues pruned to eliminate duplicates Z: 43 29.050 1.938 0.767 0.523 0.905 0.690 CB 1.414 43 residues pruned to eliminate duplicates Z: 16 19.327 1.948 0.802 0.692 0.933 0.800 CA 1.277 16 residues pruned to eliminate duplicates Z: 15 14.644 1.858 0.760 0.631 0.929 0.643 CA 1.139 15 residues pruned to eliminate duplicates Z: 36 23.702 1.949 0.695 0.509 0.886 0.657 CB 1.357 36 residues pruned to eliminate duplicates Z: 7 9.500 2.069 0.309 0.692 0.833 0.667 CB 1.441 Z: 7 5.272 1.582 0.147 0.553 1.000 0.833 CA 1.127 7 residues pruned to eliminate duplicates Z: 42 26.149 1.973 0.605 0.597 0.902 0.610 CB 1.303 49 residues pruned to eliminate duplicates Z: 15 10.260 1.824 0.727 0.450 0.714 0.357 CA 1.283 15 residues pruned to eliminate duplicates Z: 38 23.371 1.941 0.748 0.528 0.892 0.541 CB 1.235 38 residues pruned to eliminate duplicates Z: 43 29.397 1.967 0.782 0.498 0.905 0.548 CB 1.434 43 residues pruned to eliminate duplicates Z: 41 29.851 1.977 0.892 0.497 0.900 0.600 CB 1.407 41 residues pruned to eliminate duplicates Z: 41 31.239 1.982 0.843 0.520 0.950 0.575 CB 1.395 41 residues pruned to eliminate duplicates Z: 19 16.360 1.888 0.823 0.372 0.944 0.556 CB 1.360 19 residues pruned to eliminate duplicates Z: 42 29.998 1.957 0.838 0.491 0.951 0.561 CB 1.383 42 residues pruned to eliminate duplicates Z: 44 27.266 1.907 0.641 0.476 0.930 0.605 CB 1.464 44 residues pruned to eliminate duplicates Z: 43 29.348 1.950 0.880 0.487 0.905 0.643 CB 1.383 43 residues pruned to eliminate duplicates Z: 20 13.184 1.919 0.864 0.304 0.789 0.421 CB 1.332 20 residues pruned to eliminate duplicates Z: 19 14.145 1.970 0.806 0.306 0.833 0.500 CB 1.395 19 residues pruned to eliminate duplicates Z: 42 28.748 1.940 0.795 0.528 0.878 0.610 CA 1.429 42 residues pruned to eliminate duplicates Z: 20 14.566 1.902 0.772 0.366 0.842 0.474 CB 1.360 20 residues pruned to eliminate duplicates Z: 21 13.937 1.914 0.909 0.336 0.800 0.450 CB 1.275 20 residues pruned to eliminate duplicates Z: 6 3.986 1.374 0.454 0.288 1.000 0.800 O 1.134 6 residues pruned to eliminate duplicates Z: 41 26.635 1.990 0.767 0.452 0.875 0.550 CB 1.438 41 residues pruned to eliminate duplicates Z: 41 27.318 1.980 0.713 0.472 0.950 0.550 CB 1.380 41 residues pruned to eliminate duplicates Z: 40 23.145 1.920 0.584 0.460 0.949 0.590 CB 1.337 40 residues pruned to eliminate duplicates Z: 39 30.160 2.015 0.768 0.480 0.974 0.605 CB 1.438 42 residues pruned to eliminate duplicates Z: 17 15.950 1.828 0.655 0.690 0.938 0.688 CA 1.182 17 residues pruned to eliminate duplicates Z: 42 27.843 1.970 0.723 0.449 0.927 0.537 CB 1.457 42 residues pruned to eliminate duplicates Z: 41 26.506 2.006 0.659 0.469 0.875 0.625 CB 1.485 41 residues pruned to eliminate duplicates Z: 41 26.245 1.939 0.718 0.483 0.925 0.650 CB 1.370 41 residues pruned to eliminate duplicates Z: 31 28.246 1.968 0.724 0.510 1.000 0.567 CB 1.504 31 residues pruned to eliminate duplicates Z: 30 28.778 1.982 0.728 0.539 0.966 0.586 CB 1.556 30 residues pruned to eliminate duplicates Z: 34 23.781 1.921 0.775 0.488 0.939 0.576 CB 1.308 34 residues pruned to eliminate duplicates Z: 32 28.021 1.973 0.717 0.567 0.968 0.645 CB 1.439 32 residues pruned to eliminate duplicates Z: 40 33.204 2.008 0.882 0.543 0.949 0.590 CB 1.421 40 residues pruned to eliminate duplicates Z: 14 27.491 1.933 0.956 0.894 1.000 0.846 CA 1.447 14 residues pruned to eliminate duplicates Z: 41 32.573 1.973 0.909 0.521 0.950 0.550 CB 1.410 41 residues pruned to eliminate duplicates Z: 40 28.145 2.005 0.797 0.503 0.897 0.564 CB 1.389 40 residues pruned to eliminate duplicates Z: 40 28.878 1.974 0.872 0.486 0.897 0.513 CB 1.414 40 residues pruned to eliminate duplicates Z: 37 26.587 1.887 0.721 0.466 0.972 0.528 CA 1.453 37 residues pruned to eliminate duplicates Z: 12 13.094 1.907 0.555 0.551 0.909 0.545 CB 1.393 12 residues pruned to eliminate duplicates Z: 41 31.034 1.987 0.867 0.499 0.925 0.525 CB 1.431 41 residues pruned to eliminate duplicates Z: 41 29.880 2.002 0.810 0.463 0.925 0.575 CB 1.463 41 residues pruned to eliminate duplicates Z: 31 23.596 1.943 0.816 0.524 0.867 0.633 CB 1.376 31 residues pruned to eliminate duplicates Z: 41 29.149 1.985 0.841 0.476 0.950 0.475 CB 1.360 41 residues pruned to eliminate duplicates Z: 44 33.473 1.970 0.910 0.500 0.930 0.535 CB 1.457 40 residues pruned to eliminate duplicates Z: 12 12.406 1.685 0.522 0.666 1.000 0.636 CA 1.251 12 residues pruned to eliminate duplicates Z: 13 14.257 1.823 0.377 0.773 0.917 0.583 CB 1.405 13 residues pruned to eliminate duplicates Z: 14 12.485 1.876 0.323 0.632 0.923 0.615 CB 1.334 14 residues pruned to eliminate duplicates Z: 15 13.290 1.828 0.333 0.624 1.000 0.571 CB 1.297 15 residues pruned to eliminate duplicates Z: 10 12.612 1.800 0.313 0.786 1.000 0.889 CB 1.384 19 residues pruned to eliminate duplicates Z: 13 9.701 1.769 0.056 0.770 0.917 0.667 CB 1.288 13 residues pruned to eliminate duplicates Z: 15 9.264 1.654 0.075 0.651 1.000 0.857 CB 1.210 15 residues pruned to eliminate duplicates Z: 10 8.941 1.847 0.022 0.765 1.000 0.889 CA 1.248 10 residues pruned to eliminate duplicates Z: 14 10.742 1.830 0.135 0.596 1.000 0.846 CB 1.309 14 residues pruned to eliminate duplicates Z: 7 9.757 1.853 0.629 0.583 1.000 0.667 CB 1.218 7 residues pruned to eliminate duplicates Z: 8 5.241 1.556 0.649 0.449 0.857 0.429 CB 0.949 7 residues pruned to eliminate duplicates Z: 6 3.819 1.334 0.477 0.496 1.000 0.600 CA 0.870 Z: 8 4.842 1.481 0.854 0.373 0.714 0.429 CA 1.069 8 residues pruned to eliminate duplicates Z: 30 17.019 1.905 0.521 0.459 0.931 0.724 CB 1.222 37 residues pruned to eliminate duplicates Z: 6 4.512 1.743 0.445 0.458 0.800 0.600 CA 1.045 6 residues pruned to eliminate duplicates Z: 31 19.500 1.936 0.579 0.507 0.900 0.733 CB 1.286 31 residues pruned to eliminate duplicates Z: 32 19.288 1.865 0.560 0.559 0.935 0.677 CB 1.202 32 residues pruned to eliminate duplicates Z: 28 14.145 1.930 0.331 0.389 0.926 0.667 CB 1.289 28 residues pruned to eliminate duplicates Z: 31 24.350 1.928 0.803 0.571 0.933 0.500 CB 1.280 33 residues pruned to eliminate duplicates Z: 17 19.636 1.850 1.200 0.780 0.938 0.812 CB 1.005 15 residues pruned to eliminate duplicates Z: 11 10.795 1.906 0.618 0.776 0.900 0.800 CB 0.964 11 residues pruned to eliminate duplicates Z: 14 16.191 1.960 0.613 0.669 0.923 0.769 CB 1.315 14 residues pruned to eliminate duplicates Z: 22 16.361 1.860 0.739 0.592 0.905 0.619 CB 1.118 24 residues pruned to eliminate duplicates Z: 11 20.948 2.065 0.979 0.910 1.000 1.000 CB 1.149 11 residues pruned to eliminate duplicates Z: 29 18.709 1.993 0.533 0.535 0.857 0.607 CB 1.304 29 residues pruned to eliminate duplicates Z: 15 19.005 1.985 0.971 0.680 0.929 0.571 CB 1.184 15 residues pruned to eliminate duplicates Z: 16 20.535 1.987 0.876 0.654 1.000 0.533 CB 1.233 16 residues pruned to eliminate duplicates Z: 43 24.070 1.912 0.750 0.527 0.881 0.548 CB 1.227 42 residues pruned to eliminate duplicates Z: 12 23.201 2.003 0.962 0.852 1.000 0.909 CB 1.317 12 residues pruned to eliminate duplicates Z: 19 15.642 1.909 0.601 0.591 1.000 0.556 CB 1.105 19 residues pruned to eliminate duplicates Z: 7 9.088 1.867 0.753 0.542 1.000 0.500 CB 1.088 Z: 6 3.431 1.608 0.808 0.413 0.800 0.600 CA 0.723 6 residues pruned to eliminate duplicates Z: 6 6.721 1.748 0.426 0.403 1.000 0.800 CB 1.335 6 residues pruned to eliminate duplicates Z: 6 7.054 1.804 0.447 0.728 1.000 0.600 CA 0.984 6 residues pruned to eliminate duplicates Z: 16 17.515 1.875 0.474 0.755 1.000 0.600 CB 1.303 16 residues pruned to eliminate duplicates Z: 26 21.596 2.000 0.766 0.592 0.960 0.440 CB 1.166 26 residues pruned to eliminate duplicates Z: 20 18.994 1.939 0.678 0.588 0.895 0.632 CB 1.377 20 residues pruned to eliminate duplicates Z: 28 20.493 1.934 0.646 0.622 0.963 0.481 CB 1.147 28 residues pruned to eliminate duplicates Z: 28 16.862 1.968 0.519 0.520 0.926 0.593 CB 1.149 28 residues pruned to eliminate duplicates Z: 28 18.689 2.001 0.631 0.597 0.889 0.519 CB 1.130 28 residues pruned to eliminate duplicates Z: 21 14.523 1.953 0.364 0.580 0.950 0.700 CB 1.189 21 residues pruned to eliminate duplicates Z: 20 12.156 1.963 0.407 0.596 0.895 0.579 CB 1.030 20 residues pruned to eliminate duplicates Z: 31 19.781 1.981 0.639 0.526 0.933 0.633 CB 1.161 37 residues pruned to eliminate duplicates Z: 16 17.276 1.992 0.490 0.731 0.933 0.733 CB 1.309 16 residues pruned to eliminate duplicates Z: 22 16.429 1.910 0.468 0.555 0.952 0.476 CB 1.273 22 residues pruned to eliminate duplicates Z: 13 22.924 1.969 0.747 0.866 1.000 0.750 CA 1.408 13 residues pruned to eliminate duplicates Z: 8 7.528 1.726 0.327 0.740 0.857 0.714 CA 1.169 8 residues pruned to eliminate duplicates Z: 22 10.160 1.650 0.406 0.388 0.905 0.524 CB 1.190 8 residues pruned to eliminate duplicates Z: 6 4.811 1.673 0.280 0.785 0.800 0.600 CB 0.977 6 residues pruned to eliminate duplicates Z: 15 7.246 1.550 0.227 0.466 0.929 0.714 CA 1.134 15 residues pruned to eliminate duplicates Z: 12 7.536 1.626 0.360 0.597 0.818 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 9 6.364 1.679 0.392 0.405 0.875 0.375 CA 1.215 9 residues pruned to eliminate duplicates Z: 11 9.095 1.745 0.558 0.377 0.900 0.400 CB 1.341 11 residues pruned to eliminate duplicates Z: 25 15.878 1.881 0.589 0.416 0.917 0.375 CB 1.292 25 residues pruned to eliminate duplicates Z: 8 9.590 1.855 0.791 0.429 1.000 0.571 CB 1.175 8 residues pruned to eliminate duplicates Z: 22 12.103 1.860 0.671 0.360 0.810 0.381 CB 1.221 22 residues pruned to eliminate duplicates Z: 13 4.620 1.761 0.459 0.324 0.667 0.250 CB 0.945 13 residues pruned to eliminate duplicates Z: 10 4.862 1.797 0.206 0.342 0.889 0.444 CB 0.999 11 residues pruned to eliminate duplicates Z: 6 7.589 1.845 1.106 0.443 0.800 0.600 N 1.158 5 residues pruned to eliminate duplicates Z: 7 12.664 2.035 0.576 0.628 1.000 0.333 CB 1.429 7 residues pruned to eliminate duplicates Z: 17 17.539 2.067 0.632 0.483 0.938 0.500 CB 1.411 17 residues pruned to eliminate duplicates Z: 43 37.521 2.077 0.933 0.505 0.952 0.595 CB 1.506 43 residues pruned to eliminate duplicates Z: 8 9.994 1.846 0.752 0.713 0.714 0.571 CB 1.348 8 residues pruned to eliminate duplicates Z: 41 33.911 2.094 0.755 0.503 0.925 0.550 CB 1.573 42 residues pruned to eliminate duplicates Z: 7 11.558 1.843 0.780 0.713 0.833 0.333 CB 1.423 7 residues pruned to eliminate duplicates Z: 17 16.003 2.099 0.661 0.374 0.875 0.438 CB 1.500 17 residues pruned to eliminate duplicates Z: 42 27.446 2.020 0.669 0.510 0.878 0.561 CA 1.432 42 residues pruned to eliminate duplicates Z: 41 29.278 2.036 0.597 0.541 0.950 0.500 CB 1.439 40 residues pruned to eliminate duplicates Z: 6 7.005 1.762 0.843 0.329 1.000 0.800 CB 1.164 Z: 6 5.258 1.593 0.542 0.463 1.000 0.600 CA 0.994 5 residues pruned to eliminate duplicates 7 1.906 1.403 0.027 0.346 0.667 0.667 CB 0.957 ? Z: 12 13.264 1.974 0.444 0.767 0.818 0.636 CB 1.354 12 residues pruned to eliminate duplicates Z: 22 26.624 2.067 1.046 0.673 0.810 0.667 CB 1.446 30 residues pruned to eliminate duplicates Z: 12 21.148 1.990 0.974 0.840 0.909 0.727 CA 1.332 12 residues pruned to eliminate duplicates Z: 29 22.516 2.049 0.735 0.464 0.929 0.464 CB 1.337 29 residues pruned to eliminate duplicates Z: 42 35.184 2.070 0.991 0.494 0.902 0.537 CB 1.486 42 residues pruned to eliminate duplicates Z: 42 33.844 2.109 0.770 0.488 0.927 0.585 CB 1.546 42 residues pruned to eliminate duplicates Z: 43 30.357 2.012 0.870 0.452 0.881 0.452 CB 1.485 43 residues pruned to eliminate duplicates Z: 40 38.073 2.098 0.881 0.542 1.000 0.436 CB 1.482 40 residues pruned to eliminate duplicates Z: 41 33.063 2.091 0.845 0.462 0.925 0.475 CB 1.522 41 residues pruned to eliminate duplicates Z: 43 34.504 2.101 0.881 0.459 0.905 0.571 CB 1.553 43 residues pruned to eliminate duplicates Z: 43 33.952 2.039 0.965 0.472 0.905 0.500 CB 1.488 43 residues pruned to eliminate duplicates Z: 25 23.827 1.921 0.739 0.621 0.958 0.583 CB 1.355 25 residues pruned to eliminate duplicates Z: 31 26.831 2.024 0.746 0.540 0.900 0.600 CB 1.481 31 residues pruned to eliminate duplicates Z: 43 32.199 2.041 0.847 0.495 0.905 0.548 CA 1.464 43 residues pruned to eliminate duplicates Z: 40 33.286 2.077 0.834 0.516 0.949 0.513 CB 1.452 39 residues pruned to eliminate duplicates Z: 6 8.563 1.908 0.702 0.337 1.000 0.400 CA 1.408 6 residues pruned to eliminate duplicates Z: 41 30.169 2.060 0.904 0.482 0.900 0.250 CB 1.377 42 residues pruned to eliminate duplicates Z: 7 4.488 1.540 0.182 0.499 0.833 0.500 O 1.208 7 residues pruned to eliminate duplicates Z: 22 34.846 2.123 0.999 0.690 1.000 0.714 CA 1.506 22 residues pruned to eliminate duplicates Z: 29 19.051 1.964 0.512 0.511 0.929 0.607 CB 1.292 Z: 10 2.495 1.375 0.110 0.307 0.778 0.222 CA 0.868 10 residues pruned to eliminate duplicates Z: 30 18.257 1.957 0.604 0.523 0.862 0.448 CB 1.225 30 residues pruned to eliminate duplicates Z: 23 21.580 2.051 0.547 0.517 0.955 0.500 CB 1.493 27 residues pruned to eliminate duplicates Z: 6 5.464 1.905 0.380 0.514 0.800 0.400 CA 1.147 6 residues pruned to eliminate duplicates Z: 24 20.201 2.027 0.574 0.533 0.957 0.609 CB 1.337 24 residues pruned to eliminate duplicates Z: 6 3.805 1.743 0.625 0.100 0.800 0.000 CB 1.252 6 residues pruned to eliminate duplicates Z: 28 20.985 1.981 0.748 0.526 0.889 0.444 CB 1.279 24 residues pruned to eliminate duplicates Z: 15 15.476 1.975 0.712 0.734 0.857 0.571 CB 1.157 15 residues pruned to eliminate duplicates Z: 13 13.748 2.019 0.384 0.762 1.000 0.750 CB 1.126 13 residues pruned to eliminate duplicates Z: 28 17.975 1.981 0.358 0.533 0.926 0.593 CB 1.344 28 residues pruned to eliminate duplicates Z: 19 13.911 1.975 0.551 0.564 1.000 0.667 CB 1.006 19 residues pruned to eliminate duplicates Z: 25 20.805 2.049 0.509 0.540 0.958 0.667 CB 1.378 25 residues pruned to eliminate duplicates Z: 25 21.094 2.030 0.724 0.523 0.875 0.583 CB 1.374 25 residues pruned to eliminate duplicates Z: 16 13.984 2.005 0.649 0.606 0.933 0.733 CB 1.058 16 residues pruned to eliminate duplicates Z: 25 23.037 2.050 0.749 0.541 0.875 0.583 CB 1.441 25 residues pruned to eliminate duplicates Z: 30 20.191 1.970 0.683 0.519 0.862 0.655 CB 1.287 30 residues pruned to eliminate duplicates Z: 18 14.527 2.029 0.365 0.590 0.941 0.882 CB 1.239 18 residues pruned to eliminate duplicates Z: 11 18.270 2.016 0.882 0.884 1.000 0.900 CB 1.100 11 residues pruned to eliminate duplicates Z: 7 11.183 1.912 0.398 0.597 1.000 0.167 CA 1.556 7 residues pruned to eliminate duplicates Z: 33 30.173 1.986 0.858 0.531 0.938 0.562 CB 1.496 33 residues pruned to eliminate duplicates Z: 12 8.454 1.929 0.232 0.427 1.000 0.273 CB 1.157 12 residues pruned to eliminate duplicates Z: 17 15.003 2.020 0.434 0.479 0.938 0.500 CB 1.412 17 residues pruned to eliminate duplicates Z: 33 24.141 2.006 0.626 0.555 0.938 0.531 CB 1.323 33 residues pruned to eliminate duplicates Z: 17 17.965 2.020 0.504 0.483 1.000 0.500 CB 1.503 17 residues pruned to eliminate duplicates Z: 17 16.207 2.031 0.546 0.496 0.875 0.438 CB 1.480 17 residues pruned to eliminate duplicates Z: 35 28.139 1.970 0.696 0.541 0.912 0.647 CB 1.522 35 residues pruned to eliminate duplicates Z: 17 15.595 2.035 0.518 0.476 0.875 0.438 CB 1.478 17 residues pruned to eliminate duplicates Z: 42 32.422 2.020 0.722 0.539 0.951 0.585 CB 1.473 41 residues pruned to eliminate duplicates Z: 8 2.970 1.456 0.710 0.187 0.857 0.286 CA 0.766 8 residues pruned to eliminate duplicates Z: 43 25.651 1.973 0.658 0.498 0.881 0.524 CB 1.377 43 residues pruned to eliminate duplicates Z: 38 23.833 1.882 0.753 0.424 0.892 0.514 CB 1.441 38 residues pruned to eliminate duplicates Z: 14 15.529 2.034 0.353 0.682 0.923 0.769 CB 1.434 14 residues pruned to eliminate duplicates Z: 26 18.900 1.882 0.619 0.563 0.880 0.640 CB 1.326 26 residues pruned to eliminate duplicates Z: 28 27.885 1.935 0.882 0.581 0.963 0.667 CB 1.416 28 residues pruned to eliminate duplicates Z: 13 17.944 1.992 0.528 0.866 1.000 0.833 CB 1.246 13 residues pruned to eliminate duplicates Z: 40 35.753 2.041 0.830 0.557 0.974 0.590 CB 1.489 42 residues pruned to eliminate duplicates Z: 13 24.604 1.968 1.057 0.880 0.917 0.917 CA 1.387 13 residues pruned to eliminate duplicates Z: 41 31.954 2.011 0.865 0.519 0.950 0.600 CB 1.392 41 residues pruned to eliminate duplicates Z: 43 30.964 2.003 0.773 0.532 0.929 0.524 CB 1.404 43 residues pruned to eliminate duplicates Z: 20 16.304 1.862 0.748 0.588 0.842 0.474 CB 1.255 20 residues pruned to eliminate duplicates Z: 41 29.705 2.010 0.759 0.537 0.900 0.475 CB 1.423 41 residues pruned to eliminate duplicates Z: 41 34.310 2.024 0.755 0.573 0.975 0.575 CB 1.460 41 residues pruned to eliminate duplicates Z: 40 32.769 2.009 0.779 0.550 0.974 0.615 CB 1.435 40 residues pruned to eliminate duplicates Z: 25 28.386 1.967 0.943 0.624 0.958 0.542 CB 1.407 25 residues pruned to eliminate duplicates Z: 42 33.761 1.989 0.877 0.534 0.976 0.512 CB 1.401 42 residues pruned to eliminate duplicates Z: 42 29.226 1.997 0.713 0.521 0.927 0.537 CB 1.410 42 residues pruned to eliminate duplicates Z: 13 10.251 1.778 0.868 0.463 0.750 0.500 CB 1.233 12 residues pruned to eliminate duplicates Z: 6 3.767 1.250 0.895 0.451 1.000 0.800 CA 0.748 6 residues pruned to eliminate duplicates Z: 42 27.802 1.941 0.754 0.513 0.927 0.512 CB 1.357 42 residues pruned to eliminate duplicates Z: 43 34.773 2.012 0.914 0.524 0.952 0.548 CB 1.429 42 residues pruned to eliminate duplicates Z: 15 17.441 1.920 0.640 0.597 1.000 0.286 CB 1.350 15 residues pruned to eliminate duplicates Z: 33 20.106 1.901 0.643 0.438 0.875 0.688 CB 1.387 33 residues pruned to eliminate duplicates Z: 28 22.500 2.026 0.720 0.425 0.926 0.630 CB 1.450 28 residues pruned to eliminate duplicates Z: 49 17.882 1.848 0.583 0.340 0.812 0.500 CB 1.292 45 residues pruned to eliminate duplicates Z: 16 19.293 1.878 0.631 0.658 1.000 0.600 CA 1.404 16 residues pruned to eliminate duplicates Z: 35 18.563 1.920 0.524 0.382 0.882 0.618 CB 1.398 35 residues pruned to eliminate duplicates Z: 30 18.258 1.912 0.593 0.407 0.862 0.552 CB 1.424 30 residues pruned to eliminate duplicates Z: 33 16.429 1.911 0.487 0.374 0.844 0.531 CB 1.386 33 residues pruned to eliminate duplicates Z: 35 16.481 1.880 0.635 0.348 0.853 0.412 CB 1.271 35 residues pruned to eliminate duplicates Z: 31 18.705 1.943 0.660 0.432 0.833 0.533 CB 1.364 31 residues pruned to eliminate duplicates Z: 28 23.062 2.018 0.701 0.457 0.926 0.667 CB 1.459 28 residues pruned to eliminate duplicates Z: 31 20.344 1.958 0.669 0.437 0.867 0.667 CA 1.400 31 residues pruned to eliminate duplicates Z: 39 19.494 1.956 0.600 0.377 0.868 0.553 CB 1.326 39 residues pruned to eliminate duplicates Z: 30 16.580 1.910 0.559 0.398 0.897 0.517 CB 1.285 30 residues pruned to eliminate duplicates Z: 27 21.624 2.050 0.565 0.432 0.962 0.615 CB 1.476 27 residues pruned to eliminate duplicates Z: 29 19.911 2.021 0.514 0.413 0.929 0.643 CB 1.451 29 residues pruned to eliminate duplicates Z: 40 18.631 1.936 0.665 0.361 0.846 0.462 CB 1.271 40 residues pruned to eliminate duplicates Z: 14 11.840 1.907 0.595 0.433 0.846 0.615 CA 1.368 14 residues pruned to eliminate duplicates Z: 30 22.398 1.983 0.732 0.450 0.897 0.517 CB 1.421 30 residues pruned to eliminate duplicates Z: 36 19.009 1.927 0.650 0.385 0.857 0.457 CB 1.333 36 residues pruned to eliminate duplicates Z: 30 20.079 1.998 0.640 0.397 0.897 0.552 CA 1.414 30 residues pruned to eliminate duplicates Z: 8 7.731 1.754 0.770 0.441 0.857 0.429 CA 1.167 8 residues pruned to eliminate duplicates Z: 29 20.358 1.983 0.606 0.424 0.893 0.607 CB 1.464 29 residues pruned to eliminate duplicates Z: 27 22.228 2.066 0.660 0.414 0.962 0.577 CB 1.445 27 residues pruned to eliminate duplicates Z: 29 18.997 1.985 0.648 0.426 0.857 0.679 CB 1.382 29 residues pruned to eliminate duplicates Z: 14 10.158 1.681 0.725 0.532 0.846 0.462 CA 1.112 Z: 6 3.446 1.479 0.446 0.362 1.000 0.800 CB 0.836 6 residues pruned to eliminate duplicates Z: 12 12.101 2.020 0.611 0.596 0.818 0.727 CB 1.251 26 residues pruned to eliminate duplicates Z: 52 28.104 2.007 0.545 0.578 0.863 0.647 CB 1.365 52 residues pruned to eliminate duplicates Z: 48 28.595 1.927 0.687 0.592 0.936 0.468 CB 1.254 48 residues pruned to eliminate duplicates Z: 17 8.320 1.831 0.466 0.416 0.750 0.438 CB 1.128 24 residues pruned to eliminate duplicates Z: 52 28.919 1.961 0.694 0.492 0.902 0.588 CB 1.362 52 residues pruned to eliminate duplicates Z: 52 22.192 1.876 0.468 0.515 0.863 0.588 CA 1.289 52 residues pruned to eliminate duplicates Z: 17 9.500 1.907 0.132 0.569 0.875 0.375 CA 1.176 17 residues pruned to eliminate duplicates Z: 31 19.925 2.008 0.431 0.440 0.933 0.533 CA 1.443 31 residues pruned to eliminate duplicates Z: 53 27.684 1.926 0.560 0.537 0.923 0.635 CA 1.334 53 residues pruned to eliminate duplicates Z: 56 26.795 1.957 0.625 0.465 0.909 0.600 CB 1.295 56 residues pruned to eliminate duplicates Z: 48 26.177 1.964 0.557 0.557 0.872 0.596 CA 1.354 48 residues pruned to eliminate duplicates Z: 27 17.290 1.817 0.727 0.511 0.885 0.577 CA 1.209 27 residues pruned to eliminate duplicates Z: 49 26.995 1.973 0.498 0.554 0.896 0.583 CB 1.397 49 residues pruned to eliminate duplicates Z: 10 7.322 1.886 0.384 0.531 0.778 0.667 CA 1.166 10 residues pruned to eliminate duplicates Z: 54 26.170 1.887 0.606 0.481 0.906 0.491 CB 1.335 54 residues pruned to eliminate duplicates Z: 47 30.047 2.015 0.662 0.545 0.913 0.674 CB 1.387 47 residues pruned to eliminate duplicates Z: 58 27.063 1.953 0.517 0.531 0.912 0.579 CB 1.287 58 residues pruned to eliminate duplicates Z: 62 25.862 1.918 0.526 0.518 0.902 0.639 CB 1.232 62 residues pruned to eliminate duplicates Z: 43 28.745 1.945 0.704 0.583 0.929 0.667 CB 1.331 43 residues pruned to eliminate duplicates 6 1.482 1.224 0.597 0.301 1.000 0.400 N 0.423 ? Z: 6 3.158 1.466 0.957 0.207 0.800 0.200 N 0.870 6 residues pruned to eliminate duplicates Z: 33 16.790 1.987 0.454 0.367 0.844 0.500 CB 1.403 33 residues pruned to eliminate duplicates Z: 37 30.314 2.058 0.674 0.593 0.944 0.750 CB 1.420 37 residues pruned to eliminate duplicates Z: 46 27.059 1.945 0.598 0.560 0.911 0.667 CB 1.344 48 residues pruned to eliminate duplicates Z: 6 3.013 1.292 0.263 0.826 0.600 0.400 CA 1.038 6 residues pruned to eliminate duplicates Z: 49 27.608 1.972 0.516 0.544 0.917 0.542 CB 1.393 49 residues pruned to eliminate duplicates Z: 43 28.684 1.958 0.709 0.595 0.881 0.619 CB 1.371 43 residues pruned to eliminate duplicates Z: 41 23.233 1.999 0.479 0.530 0.900 0.600 CB 1.340 41 residues pruned to eliminate duplicates Z: 44 28.553 1.988 0.611 0.583 0.884 0.674 CB 1.421 44 residues pruned to eliminate duplicates Z: 40 32.967 2.028 0.710 0.613 0.974 0.692 CB 1.403 40 residues pruned to eliminate duplicates Z: 45 29.565 2.019 0.704 0.556 0.886 0.614 CB 1.384 45 residues pruned to eliminate duplicates Z: 24 17.453 1.829 0.645 0.630 0.913 0.609 CB 1.173 24 residues pruned to eliminate duplicates Z: 51 27.941 1.965 0.688 0.538 0.920 0.620 CB 1.248 51 residues pruned to eliminate duplicates Z: 50 28.821 1.963 0.762 0.506 0.898 0.612 CB 1.317 50 residues pruned to eliminate duplicates Z: 39 24.917 1.944 0.663 0.513 0.895 0.526 CB 1.379 39 residues pruned to eliminate duplicates Z: 40 24.925 1.991 0.688 0.568 0.846 0.667 CB 1.314 40 residues pruned to eliminate duplicates Z: 47 27.481 2.003 0.666 0.578 0.891 0.543 CB 1.263 47 residues pruned to eliminate duplicates Z: 46 29.308 1.941 0.786 0.552 0.911 0.533 CB 1.314 46 residues pruned to eliminate duplicates Z: 48 22.060 1.918 0.631 0.491 0.851 0.447 CB 1.220 48 residues pruned to eliminate duplicates Z: 84 39.221 1.960 0.708 0.589 0.916 0.518 CB 1.289 88 residues pruned to eliminate duplicates Z: 7 5.373 1.402 0.837 0.551 0.833 0.500 CA 0.973 7 residues pruned to eliminate duplicates Z: 42 30.475 2.006 0.721 0.590 0.927 0.634 CB 1.365 42 residues pruned to eliminate duplicates Z: 52 31.343 2.017 0.715 0.525 0.941 0.529 CB 1.315 52 residues pruned to eliminate duplicates Z: 41 33.653 2.023 0.775 0.599 0.975 0.650 CB 1.382 41 residues pruned to eliminate duplicates Z: 6 4.896 1.570 0.356 0.440 0.800 0.800 O 1.368 6 residues pruned to eliminate duplicates Z: 47 27.492 1.921 0.570 0.571 0.870 0.674 CB 1.442 67 residues pruned to eliminate duplicates Z: 9 4.743 1.357 0.713 0.458 0.750 0.500 CB 1.004 9 residues pruned to eliminate duplicates Z: 8 7.394 1.666 0.653 0.378 0.857 0.429 CB 1.348 8 residues pruned to eliminate duplicates Z: 6 3.222 1.438 0.259 0.202 1.000 0.400 N 1.134 6 residues pruned to eliminate duplicates Z: 44 21.422 1.923 0.445 0.459 0.860 0.558 CB 1.425 44 residues pruned to eliminate duplicates Z: 42 25.169 1.969 0.535 0.517 0.902 0.634 CB 1.417 42 residues pruned to eliminate duplicates Z: 43 24.770 1.943 0.462 0.558 0.905 0.667 CB 1.405 43 residues pruned to eliminate duplicates Z: 31 21.906 1.942 0.432 0.564 0.967 0.633 CB 1.398 31 residues pruned to eliminate duplicates Z: 44 25.778 1.929 0.503 0.517 0.930 0.651 CB 1.433 44 residues pruned to eliminate duplicates Z: 39 22.360 1.929 0.418 0.529 0.921 0.763 CB 1.399 39 residues pruned to eliminate duplicates Z: 31 19.325 1.902 0.478 0.528 0.900 0.700 CB 1.356 31 residues pruned to eliminate duplicates Z: 40 22.221 1.889 0.437 0.519 0.846 0.564 CB 1.520 40 residues pruned to eliminate duplicates Z: 36 25.246 1.936 0.442 0.519 0.971 0.686 CB 1.544 36 residues pruned to eliminate duplicates Z: 45 23.768 1.958 0.486 0.481 0.932 0.659 CB 1.347 45 residues pruned to eliminate duplicates Z: 31 23.540 1.973 0.573 0.542 0.900 0.600 CB 1.476 31 residues pruned to eliminate duplicates Z: 46 23.918 1.927 0.469 0.509 0.911 0.667 CB 1.370 46 residues pruned to eliminate duplicates Z: 44 24.782 1.946 0.404 0.523 0.953 0.674 CB 1.419 44 residues pruned to eliminate duplicates Z: 44 25.482 1.943 0.516 0.508 0.907 0.605 CB 1.442 44 residues pruned to eliminate duplicates Z: 43 24.777 1.938 0.501 0.544 0.929 0.643 CB 1.355 43 residues pruned to eliminate duplicates Z: 42 24.895 1.954 0.549 0.521 0.878 0.585 CB 1.433 42 residues pruned to eliminate duplicates Z: 44 24.512 1.917 0.478 0.497 0.953 0.651 CB 1.387 44 residues pruned to eliminate duplicates Z: 37 22.841 1.926 0.586 0.502 0.917 0.722 CB 1.358 37 residues pruned to eliminate duplicates Z: 37 24.422 1.956 0.601 0.486 0.917 0.611 CB 1.439 37 residues pruned to eliminate duplicates Z: 34 24.567 1.933 0.579 0.516 0.970 0.606 CB 1.422 34 residues pruned to eliminate duplicates Z: 45 22.521 1.928 0.459 0.486 0.864 0.591 CB 1.417 45 residues pruned to eliminate duplicates Z: 20 14.781 1.719 0.521 0.619 0.947 0.632 CB 1.223 Z: 14 17.605 1.599 0.755 0.856 1.000 0.846 CA 1.283 14 residues pruned to eliminate duplicates Z: 18 15.060 1.793 0.477 0.680 0.941 0.706 CB 1.242 19 residues pruned to eliminate duplicates Z: 13 16.891 1.719 0.840 0.767 0.917 0.583 CA 1.327 17 residues pruned to eliminate duplicates Z: 11 14.992 1.785 0.741 0.886 1.000 0.800 CB 1.100 11 residues pruned to eliminate duplicates Z: 9 16.420 1.916 0.782 0.905 1.000 0.875 CA 1.210 9 residues pruned to eliminate duplicates Z: 8 10.202 1.790 0.871 0.774 0.857 0.857 CA 1.054 8 residues pruned to eliminate duplicates Z: 8 10.551 1.908 0.549 0.621 1.000 0.857 CB 1.203 8 residues pruned to eliminate duplicates Z: 11 6.324 1.878 0.210 0.600 0.900 0.600 CB 0.889 11 residues pruned to eliminate duplicates Z: 24 10.512 1.832 0.337 0.489 0.913 0.435 CB 0.991 28 residues pruned to eliminate duplicates Z: 7 4.765 1.351 0.475 0.540 0.833 0.833 O 1.126 7 residues pruned to eliminate duplicates Z: 11 7.060 1.750 0.335 0.356 0.900 0.500 CA 1.240 12 residues pruned to eliminate duplicates Z: 6 2.588 1.438 0.289 0.392 1.000 0.800 CA 0.701 6 residues pruned to eliminate duplicates Z: 12 14.106 1.833 0.807 0.507 0.909 0.545 CA 1.402 12 residues pruned to eliminate duplicates Z: 8 16.135 2.075 0.765 0.581 1.000 0.857 CA 1.540 8 residues pruned to eliminate duplicates Z: 12 9.370 1.827 0.528 0.428 1.000 0.545 CA 1.090 12 residues pruned to eliminate duplicates Z: 14 10.538 1.698 0.495 0.455 1.000 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 20 18.258 1.898 0.683 0.622 0.947 0.632 CB 1.233 20 residues pruned to eliminate duplicates Z: 12 9.396 1.818 0.723 0.466 0.909 0.818 CA 1.030 21 residues pruned to eliminate duplicates Z: 11 11.976 1.916 0.594 0.438 1.000 0.800 CA 1.322 11 residues pruned to eliminate duplicates Z: 12 7.363 1.805 0.379 0.439 0.909 0.636 CA 1.044 12 residues pruned to eliminate duplicates Z: 12 7.999 1.828 0.315 0.406 0.909 0.636 CA 1.219 12 residues pruned to eliminate duplicates Z: 13 8.784 1.801 0.472 0.309 1.000 0.583 CA 1.183 13 residues pruned to eliminate duplicates Z: 7 11.151 1.956 0.863 0.378 1.000 0.833 CA 1.423 9 residues pruned to eliminate duplicates Z: 6 2.590 1.412 0.779 0.287 0.800 0.400 N 0.733 6 residues pruned to eliminate duplicates Z: 16 7.426 1.761 0.471 0.256 0.933 0.400 CB 1.048 16 residues pruned to eliminate duplicates Z: 11 4.271 1.739 0.218 0.199 0.800 0.200 CA 1.140 11 residues pruned to eliminate duplicates Z: 14 5.962 1.653 0.499 0.258 0.769 0.462 CB 1.144 14 residues pruned to eliminate duplicates Z: 10 6.482 1.753 0.698 0.312 0.889 0.222 CB 1.006 10 residues pruned to eliminate duplicates Z: 11 8.248 1.664 0.663 0.405 0.800 0.400 CB 1.302 11 residues pruned to eliminate duplicates Z: 13 7.861 1.769 0.544 0.370 0.833 0.417 CB 1.146 13 residues pruned to eliminate duplicates Z: 36 20.117 1.864 0.547 0.474 0.971 0.657 CB 1.247 36 residues pruned to eliminate duplicates Z: 36 19.596 1.868 0.574 0.471 0.971 0.571 CB 1.194 38 residues pruned to eliminate duplicates Z: 15 9.635 1.672 0.423 0.647 0.929 0.714 CB 1.017 15 residues pruned to eliminate duplicates Z: 12 6.546 1.617 0.543 0.512 0.636 0.273 N 1.229 12 residues pruned to eliminate duplicates Z: 36 19.057 1.859 0.579 0.458 0.886 0.600 CB 1.293 36 residues pruned to eliminate duplicates Z: 12 6.810 1.758 0.276 0.590 0.727 0.364 CB 1.155 12 residues pruned to eliminate duplicates Z: 10 8.157 1.816 0.569 0.652 1.000 0.778 CB 0.829 10 residues pruned to eliminate duplicates Z: 16 13.012 1.851 0.621 0.491 1.000 0.733 CB 1.130 16 residues pruned to eliminate duplicates Z: 26 13.366 1.767 0.647 0.394 0.920 0.640 CB 1.117 26 residues pruned to eliminate duplicates Z: 38 19.921 1.832 0.666 0.466 0.946 0.568 CB 1.174 38 residues pruned to eliminate duplicates Z: 36 22.056 1.874 0.673 0.495 0.943 0.657 CB 1.267 36 residues pruned to eliminate duplicates Z: 6 4.726 1.728 0.345 0.310 1.000 0.600 CB 1.123 6 residues pruned to eliminate duplicates Z: 31 14.858 1.805 0.608 0.472 0.833 0.500 CB 1.154 31 residues pruned to eliminate duplicates Z: 36 19.664 1.865 0.578 0.481 0.914 0.543 CB 1.259 36 residues pruned to eliminate duplicates Z: 43 20.559 1.810 0.636 0.444 0.881 0.524 CB 1.288 43 residues pruned to eliminate duplicates Z: 36 15.142 1.795 0.548 0.404 0.857 0.457 CB 1.189 36 residues pruned to eliminate duplicates Z: 21 17.337 1.888 0.626 0.504 0.900 0.600 CB 1.397 21 residues pruned to eliminate duplicates Z: 29 16.359 1.840 0.634 0.463 0.857 0.536 CB 1.245 29 residues pruned to eliminate duplicates Z: 36 18.091 1.859 0.422 0.480 0.971 0.571 CB 1.216 36 residues pruned to eliminate duplicates Z: 25 15.945 1.843 0.461 0.445 0.958 0.625 CB 1.334 27 residues pruned to eliminate duplicates Z: 8 8.497 1.849 0.234 0.681 1.000 0.714 CB 1.191 8 residues pruned to eliminate duplicates Z: 36 19.337 1.873 0.482 0.481 0.914 0.514 CB 1.313 36 residues pruned to eliminate duplicates Z: 36 16.962 1.830 0.484 0.483 0.886 0.629 CB 1.214 36 residues pruned to eliminate duplicates Z: 16 14.465 1.795 0.535 0.534 1.000 0.533 CB 1.310 16 residues pruned to eliminate duplicates Z: 22 16.687 1.896 0.648 0.473 0.905 0.524 CB 1.324 22 residues pruned to eliminate duplicates Z: 38 17.550 1.789 0.579 0.461 0.892 0.595 CB 1.192 38 residues pruned to eliminate duplicates Z: 33 16.130 1.828 0.561 0.375 0.906 0.594 CB 1.260 33 residues pruned to eliminate duplicates Z: 21 19.310 1.911 0.618 0.493 0.950 0.700 CB 1.481 21 residues pruned to eliminate duplicates Z: 36 17.903 1.826 0.583 0.422 0.914 0.600 CB 1.242 36 residues pruned to eliminate duplicates Z: 34 19.050 1.845 0.664 0.412 0.909 0.545 CB 1.303 34 residues pruned to eliminate duplicates Z: 15 12.015 1.797 0.494 0.664 0.857 0.643 CA 1.199 Z: 23 19.755 1.898 0.280 0.894 1.000 0.955 CA 1.244 38 residues pruned to eliminate duplicates Z: 16 10.992 1.774 0.566 0.464 0.867 0.533 CA 1.223 Z: 24 24.099 1.921 0.466 0.848 1.000 0.739 CA 1.323 40 residues pruned to eliminate duplicates Z: 13 12.130 1.763 0.559 0.659 0.917 0.500 CB 1.199 Z: 23 23.461 1.927 0.405 0.859 1.000 0.818 CA 1.359 36 residues pruned to eliminate duplicates Z: 26 23.033 1.882 0.551 0.798 0.920 0.680 CA 1.322 26 residues pruned to eliminate duplicates Z: 27 22.265 1.863 0.527 0.750 0.923 0.731 CA 1.331 27 residues pruned to eliminate duplicates Z: 34 21.764 1.875 0.462 0.645 0.970 0.818 CA 1.245 34 residues pruned to eliminate duplicates Z: 23 26.798 1.927 0.691 0.857 0.955 0.727 CB 1.353 23 residues pruned to eliminate duplicates Z: 29 19.029 1.815 0.440 0.691 0.893 0.750 CB 1.294 29 residues pruned to eliminate duplicates Z: 24 24.203 1.866 0.717 0.807 0.913 0.696 CA 1.320 24 residues pruned to eliminate duplicates Z: 27 25.970 1.890 0.660 0.749 0.962 0.769 CB 1.351 27 residues pruned to eliminate duplicates Z: 28 28.804 1.974 0.600 0.774 1.000 0.852 CA 1.378 28 residues pruned to eliminate duplicates Z: 26 26.107 1.903 0.759 0.762 0.960 0.640 CA 1.287 26 residues pruned to eliminate duplicates Z: 31 25.288 1.940 0.623 0.728 0.967 0.800 CA 1.234 31 residues pruned to eliminate duplicates Z: 26 23.380 1.889 0.589 0.770 0.960 0.720 CA 1.278 26 residues pruned to eliminate duplicates Z: 32 19.817 1.869 0.334 0.693 0.968 0.742 CA 1.236 32 residues pruned to eliminate duplicates Z: 33 21.824 1.860 0.542 0.680 0.938 0.750 CA 1.216 33 residues pruned to eliminate duplicates Z: 33 24.956 1.909 0.542 0.705 0.969 0.781 CA 1.284 33 residues pruned to eliminate duplicates Z: 36 26.257 1.877 0.669 0.642 0.971 0.686 CA 1.276 36 residues pruned to eliminate duplicates Z: 32 24.450 1.888 0.536 0.702 0.968 0.581 CA 1.302 32 residues pruned to eliminate duplicates Z: 34 27.695 1.882 0.628 0.706 0.970 0.758 CA 1.345 34 residues pruned to eliminate duplicates Z: 35 26.438 1.888 0.592 0.691 1.000 0.706 CA 1.267 35 residues pruned to eliminate duplicates Z: 29 28.052 1.960 0.595 0.774 1.000 0.714 CA 1.331 29 residues pruned to eliminate duplicates Z: 8 8.911 1.956 0.555 0.475 0.857 0.571 CA 1.325 8 residues pruned to eliminate duplicates Z: 35 27.157 1.907 0.512 0.712 1.000 0.647 CA 1.333 35 residues pruned to eliminate duplicates Z: 32 27.364 1.917 0.741 0.749 0.968 0.710 CB 1.217 32 residues pruned to eliminate duplicates Z: 32 26.506 1.921 0.499 0.758 1.000 0.774 CA 1.314 32 residues pruned to eliminate duplicates Z: 44 24.973 1.956 0.572 0.483 0.907 0.721 CB 1.389 44 residues pruned to eliminate duplicates Z: 16 10.109 1.866 0.477 0.581 0.800 0.533 CB 1.095 16 residues pruned to eliminate duplicates Z: 45 25.070 1.926 0.586 0.496 0.909 0.614 CB 1.367 45 residues pruned to eliminate duplicates Z: 46 26.021 1.931 0.584 0.526 0.933 0.689 CB 1.325 46 residues pruned to eliminate duplicates Z: 43 26.257 1.949 0.553 0.545 0.929 0.714 CB 1.380 43 residues pruned to eliminate duplicates Z: 24 27.192 1.969 0.492 0.820 0.957 0.783 CB 1.529 24 residues pruned to eliminate duplicates Z: 33 24.231 1.883 0.419 0.687 0.938 0.750 CB 1.441 33 residues pruned to eliminate duplicates Z: 66 27.923 1.857 0.503 0.565 0.923 0.569 CB 1.263 73 residues pruned to eliminate duplicates Z: 24 25.677 1.927 0.490 0.814 0.957 0.609 CB 1.484 24 residues pruned to eliminate duplicates Z: 25 21.823 1.934 0.364 0.800 0.958 0.708 CA 1.355 25 residues pruned to eliminate duplicates Z: 27 22.488 1.935 0.381 0.745 0.923 0.654 CB 1.437 24 residues pruned to eliminate duplicates Z: 24 24.368 1.915 0.350 0.865 0.957 0.739 CA 1.504 27 residues pruned to eliminate duplicates Z: 22 24.143 2.005 0.636 0.839 0.810 0.667 CB 1.481 22 residues pruned to eliminate duplicates Z: 27 28.018 1.931 0.722 0.789 0.885 0.577 CB 1.450 25 residues pruned to eliminate duplicates Z: 24 25.936 1.955 0.549 0.812 0.913 0.652 CB 1.490 24 residues pruned to eliminate duplicates Z: 41 23.825 1.863 0.597 0.597 0.925 0.625 CB 1.248 65 residues pruned to eliminate duplicates Z: 23 30.257 2.008 0.805 0.835 0.909 0.545 CB 1.467 23 residues pruned to eliminate duplicates Z: 23 31.325 1.951 0.881 0.812 0.955 0.500 CB 1.454 23 residues pruned to eliminate duplicates Z: 26 27.560 1.951 0.693 0.809 0.960 0.560 CB 1.329 26 residues pruned to eliminate duplicates Z: 28 25.438 1.919 0.684 0.707 0.889 0.519 CB 1.412 28 residues pruned to eliminate duplicates Z: 27 27.221 1.928 0.596 0.805 0.923 0.692 CB 1.440 27 residues pruned to eliminate duplicates Z: 28 25.197 1.923 0.616 0.747 0.926 0.556 CB 1.351 28 residues pruned to eliminate duplicates Z: 30 23.674 1.895 0.511 0.710 0.931 0.586 CB 1.363 30 residues pruned to eliminate duplicates Z: 34 24.620 1.890 0.740 0.642 0.909 0.606 CB 1.255 34 residues pruned to eliminate duplicates Z: 29 24.955 1.927 0.694 0.702 0.893 0.536 CB 1.346 29 residues pruned to eliminate duplicates Z: 27 29.254 1.947 0.772 0.757 0.962 0.615 CB 1.376 27 residues pruned to eliminate duplicates Z: 29 24.532 1.832 0.661 0.745 0.929 0.500 CB 1.318 29 residues pruned to eliminate duplicates Z: 17 8.106 1.652 0.274 0.578 0.812 0.750 CB 1.099 Z: 11 9.691 1.858 0.095 0.794 0.900 0.800 CB 1.293 11 residues pruned to eliminate duplicates Z: 17 11.752 1.701 0.372 0.621 0.875 0.625 CB 1.283 17 residues pruned to eliminate duplicates Z: 11 10.429 1.824 0.248 0.876 0.800 0.800 CB 1.317 11 residues pruned to eliminate duplicates Z: 19 9.332 1.723 0.162 0.594 0.889 0.778 CB 1.130 19 residues pruned to eliminate duplicates Z: 12 13.929 1.779 0.278 0.863 1.000 0.818 CA 1.354 12 residues pruned to eliminate duplicates Z: 14 12.527 1.776 0.442 0.667 0.923 0.692 CB 1.259 14 residues pruned to eliminate duplicates Z: 13 12.154 1.822 0.330 0.703 0.917 0.667 CB 1.313 13 residues pruned to eliminate duplicates Z: 31 18.846 1.869 0.380 0.628 1.000 0.767 CB 1.183 29 residues pruned to eliminate duplicates Z: 10 13.166 1.845 0.614 0.865 0.889 0.778 CB 1.214 14 residues pruned to eliminate duplicates Z: 10 6.223 1.688 0.837 0.517 0.778 0.222 CB 0.846 10 residues pruned to eliminate duplicates Z: 20 11.250 1.740 0.761 0.615 0.842 0.316 CB 0.897 20 residues pruned to eliminate duplicates Z: 18 8.099 1.618 0.350 0.369 0.824 0.235 CB 1.256 14 residues pruned to eliminate duplicates Z: 9 14.258 1.842 0.867 0.661 0.875 0.500 CB 1.443 9 residues pruned to eliminate duplicates Z: 45 26.818 2.010 0.585 0.475 0.864 0.500 CB 1.507 45 residues pruned to eliminate duplicates Z: 38 41.437 2.134 0.868 0.551 0.973 0.649 CB 1.671 66 residues pruned to eliminate duplicates Z: 9 16.904 1.650 1.065 0.727 1.000 0.375 CA 1.429 9 residues pruned to eliminate duplicates Z: 42 36.033 2.094 0.797 0.491 0.951 0.634 CB 1.586 42 residues pruned to eliminate duplicates Z: 40 33.472 2.111 0.582 0.543 0.974 0.590 CB 1.579 38 residues pruned to eliminate duplicates Z: 10 7.963 1.741 0.559 0.435 0.889 0.444 CA 1.177 10 residues pruned to eliminate duplicates Z: 43 36.480 2.050 0.797 0.501 0.952 0.571 CA 1.603 43 residues pruned to eliminate duplicates Z: 7 4.299 1.656 0.534 0.329 0.667 0.167 CA 1.250 7 residues pruned to eliminate duplicates Z: 41 35.988 2.119 0.657 0.502 0.975 0.475 CB 1.658 41 residues pruned to eliminate duplicates Z: 42 39.128 2.094 0.842 0.494 0.976 0.561 CB 1.634 42 residues pruned to eliminate duplicates Z: 43 39.149 2.079 0.892 0.500 0.952 0.500 CB 1.611 43 residues pruned to eliminate duplicates Z: 43 32.417 2.110 0.804 0.487 0.857 0.429 CB 1.553 43 residues pruned to eliminate duplicates Z: 41 39.036 2.124 0.867 0.500 0.925 0.550 CB 1.683 41 residues pruned to eliminate duplicates Z: 39 38.017 2.127 0.838 0.545 0.947 0.500 CB 1.593 39 residues pruned to eliminate duplicates Z: 42 37.169 2.070 0.921 0.490 0.976 0.512 CB 1.512 42 residues pruned to eliminate duplicates Z: 41 34.184 2.055 0.758 0.489 0.925 0.475 CB 1.636 41 residues pruned to eliminate duplicates Z: 38 34.030 2.087 0.764 0.508 0.919 0.486 CB 1.640 38 residues pruned to eliminate duplicates Z: 40 34.364 2.069 0.681 0.504 0.949 0.538 CA 1.662 40 residues pruned to eliminate duplicates Z: 39 39.458 2.123 0.923 0.537 0.947 0.474 CB 1.596 39 residues pruned to eliminate duplicates Z: 39 34.953 2.122 0.782 0.515 0.921 0.526 CB 1.604 39 residues pruned to eliminate duplicates Z: 40 34.935 2.133 0.744 0.483 0.949 0.487 CB 1.613 40 residues pruned to eliminate duplicates Z: 41 40.741 2.115 0.928 0.509 0.950 0.475 CB 1.649 41 residues pruned to eliminate duplicates Z: 41 34.318 2.062 0.820 0.475 0.950 0.500 CB 1.562 41 residues pruned to eliminate duplicates Z: 42 35.070 2.097 0.780 0.474 0.951 0.439 CB 1.583 42 residues pruned to eliminate duplicates Z: 31 30.619 2.079 0.872 0.536 0.900 0.667 CB 1.540 31 residues pruned to eliminate duplicates Z: 32 27.153 2.049 0.771 0.491 0.903 0.548 CB 1.501 32 residues pruned to eliminate duplicates Z: 41 40.431 2.139 0.963 0.502 0.975 0.575 CB 1.558 42 residues pruned to eliminate duplicates Z: 16 22.046 2.053 0.675 0.733 0.933 0.667 CA 1.439 16 residues pruned to eliminate duplicates Z: 39 41.069 2.135 0.869 0.543 1.000 0.500 CB 1.600 39 residues pruned to eliminate duplicates Z: 7 6.036 1.588 0.693 0.428 1.000 0.333 CA 0.988 7 residues pruned to eliminate duplicates Z: 42 34.618 2.079 0.821 0.456 0.951 0.561 CB 1.571 42 residues pruned to eliminate duplicates Z: 39 34.994 2.112 0.814 0.512 0.947 0.500 CB 1.545 39 residues pruned to eliminate duplicates Z: 11 14.266 1.853 1.020 0.616 0.800 0.600 CB 1.349 10 residues pruned to eliminate duplicates Z: 9 7.114 1.553 0.538 0.636 1.000 0.375 CB 0.927 9 residues pruned to eliminate duplicates Z: 36 15.547 1.841 0.495 0.363 0.886 0.543 CB 1.249 36 residues pruned to eliminate duplicates Z: 35 16.020 1.800 0.484 0.363 0.941 0.529 CB 1.266 35 residues pruned to eliminate duplicates Z: 13 14.334 1.927 0.717 0.451 1.000 0.583 CB 1.315 13 residues pruned to eliminate duplicates Z: 10 14.479 1.692 0.764 0.627 1.000 0.778 CB 1.435 10 residues pruned to eliminate duplicates Z: 17 13.816 1.881 0.708 0.289 0.938 0.500 CB 1.453 17 residues pruned to eliminate duplicates Z: 29 13.405 1.836 0.441 0.372 0.893 0.429 CB 1.230 29 residues pruned to eliminate duplicates Z: 33 20.205 1.910 0.545 0.383 0.938 0.562 CB 1.463 33 residues pruned to eliminate duplicates Z: 38 20.295 1.863 0.612 0.416 0.892 0.514 CB 1.360 41 residues pruned to eliminate duplicates Z: 9 14.344 1.806 0.817 0.570 1.000 0.625 CA 1.444 9 residues pruned to eliminate duplicates Z: 34 21.809 1.925 0.614 0.443 0.939 0.636 CB 1.379 34 residues pruned to eliminate duplicates Z: 39 20.980 1.925 0.639 0.441 0.895 0.632 CB 1.281 39 residues pruned to eliminate duplicates Z: 38 17.746 1.873 0.634 0.390 0.838 0.568 CB 1.279 38 residues pruned to eliminate duplicates Z: 36 20.984 1.867 0.762 0.424 0.914 0.600 CB 1.276 36 residues pruned to eliminate duplicates Z: 38 17.548 1.890 0.506 0.376 0.892 0.595 CB 1.298 38 residues pruned to eliminate duplicates Z: 38 18.682 1.902 0.565 0.389 0.892 0.649 CB 1.301 38 residues pruned to eliminate duplicates Z: 34 21.806 1.921 0.656 0.428 0.970 0.697 CB 1.326 34 residues pruned to eliminate duplicates Z: 35 19.425 1.905 0.590 0.406 0.882 0.647 CB 1.376 35 residues pruned to eliminate duplicates Z: 35 21.693 1.958 0.563 0.427 0.941 0.588 CB 1.393 35 residues pruned to eliminate duplicates Z: 39 22.185 1.917 0.628 0.419 0.974 0.553 CB 1.289 38 residues pruned to eliminate duplicates Z: 9 10.333 1.836 0.425 0.619 1.000 0.500 CB 1.248 9 residues pruned to eliminate duplicates Z: 34 22.284 1.928 0.628 0.442 0.970 0.636 CB 1.353 34 residues pruned to eliminate duplicates Z: 34 19.588 1.913 0.594 0.436 0.909 0.606 CB 1.314 34 residues pruned to eliminate duplicates Z: 40 18.947 1.895 0.582 0.416 0.923 0.641 CB 1.197 40 residues pruned to eliminate duplicates Z: 40 14.616 1.867 0.495 0.357 0.872 0.538 CB 1.122 40 residues pruned to eliminate duplicates Z: 33 21.603 1.907 0.745 0.433 0.938 0.656 CB 1.312 33 residues pruned to eliminate duplicates Z: 16 8.270 1.898 0.330 0.329 0.867 0.267 CB 1.177 13 residues pruned to eliminate duplicates Z: 11 8.976 1.634 0.372 0.609 0.900 0.600 CB 1.268 11 residues pruned to eliminate duplicates Z: 35 19.303 1.909 0.575 0.414 0.882 0.647 CB 1.365 35 residues pruned to eliminate duplicates Z: 34 19.611 1.903 0.596 0.466 0.939 0.667 CB 1.238 34 residues pruned to eliminate duplicates Z: 39 20.267 1.894 0.544 0.426 0.947 0.579 CB 1.281 39 residues pruned to eliminate duplicates Z: 41 19.664 1.890 0.593 0.405 0.925 0.600 CB 1.234 41 residues pruned to eliminate duplicates Z: 38 20.326 1.915 0.623 0.428 0.946 0.541 CB 1.225 38 residues pruned to eliminate duplicates Z: 20 13.793 1.918 0.646 0.505 0.842 0.579 CB 1.184 20 residues pruned to eliminate duplicates Z: 10 5.092 1.918 0.278 0.354 1.000 0.333 CB 0.811 10 residues pruned to eliminate duplicates Z: 48 32.227 1.981 0.743 0.550 0.915 0.596 CB 1.417 48 residues pruned to eliminate duplicates Z: 48 31.422 1.997 0.681 0.544 0.915 0.596 CA 1.430 48 residues pruned to eliminate duplicates Z: 49 31.497 1.981 0.620 0.556 0.938 0.729 CA 1.431 49 residues pruned to eliminate duplicates Z: 48 29.325 1.988 0.606 0.538 0.915 0.617 CA 1.411 48 residues pruned to eliminate duplicates Z: 76 30.895 1.937 0.613 0.500 0.893 0.653 CB 1.278 76 residues pruned to eliminate duplicates Z: 45 31.002 2.004 0.695 0.555 0.932 0.568 CA 1.399 45 residues pruned to eliminate duplicates Z: 46 29.543 2.025 0.590 0.560 0.911 0.689 CA 1.416 46 residues pruned to eliminate duplicates Z: 49 26.122 1.956 0.610 0.518 0.854 0.521 CA 1.376 49 residues pruned to eliminate duplicates Z: 42 32.928 2.020 0.676 0.611 0.976 0.634 CB 1.402 41 residues pruned to eliminate duplicates Z: 6 3.994 1.704 0.674 0.220 0.800 0.400 CA 1.088 6 residues pruned to eliminate duplicates Z: 58 29.473 1.979 0.620 0.491 0.930 0.579 CB 1.321 58 residues pruned to eliminate duplicates Z: 36 32.598 2.075 0.815 0.568 0.943 0.771 CA 1.452 36 residues pruned to eliminate duplicates Z: 47 27.621 1.943 0.702 0.447 0.848 0.565 CA 1.533 47 residues pruned to eliminate duplicates Z: 41 30.945 2.055 0.619 0.599 0.925 0.675 CB 1.447 41 residues pruned to eliminate duplicates Z: 35 30.413 2.074 0.796 0.567 0.882 0.647 CA 1.487 35 residues pruned to eliminate duplicates Z: 43 32.218 2.036 0.713 0.556 0.952 0.643 CB 1.418 43 residues pruned to eliminate duplicates Z: 41 26.521 1.961 0.641 0.501 0.900 0.575 CB 1.446 41 residues pruned to eliminate duplicates Z: 46 35.264 2.032 0.758 0.567 0.956 0.622 CB 1.444 46 residues pruned to eliminate duplicates Z: 44 31.118 2.036 0.699 0.552 0.930 0.674 CB 1.401 44 residues pruned to eliminate duplicates Z: 35 33.117 2.079 0.872 0.547 0.941 0.647 CB 1.481 35 residues pruned to eliminate duplicates Z: 46 31.382 2.024 0.683 0.541 0.933 0.667 CA 1.413 46 residues pruned to eliminate duplicates Z: 39 30.106 2.023 0.807 0.509 0.921 0.658 CA 1.438 39 residues pruned to eliminate duplicates Z: 46 32.771 2.024 0.741 0.532 0.956 0.622 CB 1.406 46 residues pruned to eliminate duplicates Z: 44 31.651 2.039 0.661 0.566 0.930 0.651 CB 1.437 44 residues pruned to eliminate duplicates Z: 49 33.500 2.000 0.711 0.556 0.958 0.646 CB 1.396 49 residues pruned to eliminate duplicates Z: 44 33.088 2.052 0.726 0.559 0.907 0.698 CB 1.483 44 residues pruned to eliminate duplicates Z: 46 33.606 2.037 0.706 0.558 0.933 0.689 CA 1.461 46 residues pruned to eliminate duplicates Z: 44 29.517 1.996 0.695 0.558 0.907 0.628 CB 1.386 44 residues pruned to eliminate duplicates Z: 48 32.117 2.007 0.711 0.539 0.936 0.660 CA 1.402 48 residues pruned to eliminate duplicates Z: 48 32.730 2.016 0.706 0.527 0.936 0.596 CB 1.444 48 residues pruned to eliminate duplicates Z: 41 33.664 2.046 0.650 0.565 1.000 0.725 CB 1.480 41 residues pruned to eliminate duplicates Z: 46 29.799 2.011 0.615 0.556 0.956 0.622 CA 1.356 46 residues pruned to eliminate duplicates Z: 43 34.118 2.033 0.665 0.594 0.952 0.690 CA 1.493 43 residues pruned to eliminate duplicates Z: 36 29.891 2.031 0.655 0.548 0.971 0.714 CB 1.476 36 residues pruned to eliminate duplicates Z: 47 29.562 1.987 0.666 0.521 0.957 0.565 CB 1.349 47 residues pruned to eliminate duplicates Z: 42 29.333 1.978 0.584 0.527 0.976 0.537 CA 1.460 42 residues pruned to eliminate duplicates Z: 10 6.490 1.629 0.368 0.453 0.778 0.556 CB 1.310 10 residues pruned to eliminate duplicates Z: 7 4.091 1.419 0.644 0.429 0.833 0.333 CB 0.924 Z: 7 3.212 1.312 0.732 0.428 0.833 0.667 CA 0.746 5 residues pruned to eliminate duplicates Z: 7 4.329 1.357 0.231 0.491 1.000 0.333 CA 1.067 7 residues pruned to eliminate duplicates Z: 29 19.071 1.821 0.616 0.666 0.821 0.607 CB 1.279 37 residues pruned to eliminate duplicates Z: 10 9.836 1.558 0.466 0.869 0.889 0.444 CA 1.180 10 residues pruned to eliminate duplicates Z: 47 24.063 1.750 0.528 0.687 0.935 0.543 CB 1.196 48 residues pruned to eliminate duplicates Z: 11 9.667 1.443 0.645 0.849 0.900 0.600 N 1.061 11 residues pruned to eliminate duplicates Z: 8 7.111 1.722 0.498 0.612 0.714 0.429 CB 1.311 8 residues pruned to eliminate duplicates Z: 13 12.557 1.586 0.774 0.708 0.917 0.500 CB 1.163 13 residues pruned to eliminate duplicates Z: 14 12.315 1.552 0.727 0.771 0.923 0.692 CA 1.087 14 residues pruned to eliminate duplicates Z: 6 9.442 1.909 0.428 0.631 1.000 1.000 CB 1.370 6 residues pruned to eliminate duplicates Z: 29 21.052 1.799 0.561 0.592 0.964 0.643 CB 1.345 29 residues pruned to eliminate duplicates Z: 14 21.645 1.912 0.693 0.845 1.000 0.846 CB 1.379 14 residues pruned to eliminate duplicates Z: 34 19.298 1.809 0.510 0.583 0.909 0.697 CB 1.248 34 residues pruned to eliminate duplicates Z: 20 19.875 1.851 0.777 0.667 0.947 0.474 CB 1.253 20 residues pruned to eliminate duplicates Z: 27 22.167 1.841 0.625 0.653 0.923 0.538 CB 1.364 28 residues pruned to eliminate duplicates Z: 15 18.249 1.789 0.704 0.812 1.000 0.714 CB 1.220 15 residues pruned to eliminate duplicates Z: 20 21.033 1.873 0.890 0.625 0.947 0.684 CB 1.279 20 residues pruned to eliminate duplicates Z: 21 15.847 1.809 0.679 0.617 0.850 0.550 CB 1.229 21 residues pruned to eliminate duplicates Z: 28 22.959 1.871 0.607 0.695 0.926 0.667 CB 1.327 28 residues pruned to eliminate duplicates Z: 14 20.745 1.918 0.868 0.858 0.923 0.846 CB 1.281 14 residues pruned to eliminate duplicates Z: 26 25.135 1.871 0.731 0.705 0.960 0.520 CB 1.342 26 residues pruned to eliminate duplicates Z: 28 23.755 1.826 0.751 0.713 0.963 0.481 CB 1.224 28 residues pruned to eliminate duplicates Z: 19 19.421 1.947 0.844 0.607 0.889 0.500 CB 1.295 19 residues pruned to eliminate duplicates Z: 15 9.643 1.880 0.426 0.384 0.857 0.357 CA 1.268 15 residues pruned to eliminate duplicates Z: 34 17.830 1.851 0.477 0.400 0.939 0.576 CA 1.342 33 residues pruned to eliminate duplicates Z: 12 9.069 1.880 0.383 0.531 0.909 0.545 CA 1.123 12 residues pruned to eliminate duplicates Z: 33 17.032 1.905 0.355 0.382 0.938 0.594 CA 1.411 33 residues pruned to eliminate duplicates Z: 18 9.029 1.804 0.420 0.431 0.824 0.647 CA 1.115 18 residues pruned to eliminate duplicates Z: 12 8.249 1.577 0.312 0.671 0.909 0.455 CA 1.129 12 residues pruned to eliminate duplicates Z: 16 8.400 1.878 0.193 0.428 0.867 0.667 CA 1.204 16 residues pruned to eliminate duplicates Z: 15 8.284 1.880 0.094 0.483 0.857 0.571 CA 1.278 15 residues pruned to eliminate duplicates Z: 34 18.498 1.904 0.546 0.405 0.939 0.636 CB 1.287 34 residues pruned to eliminate duplicates Z: 21 13.580 1.893 0.491 0.368 0.900 0.700 CA 1.378 21 residues pruned to eliminate duplicates Z: 29 16.414 1.856 0.510 0.387 0.964 0.607 CB 1.294 29 residues pruned to eliminate duplicates Z: 9 6.415 1.763 0.800 0.291 0.750 0.250 CA 1.205 9 residues pruned to eliminate duplicates Z: 34 17.668 1.855 0.477 0.403 0.970 0.485 CB 1.282 34 residues pruned to eliminate duplicates Z: 9 7.422 1.479 0.488 0.525 1.000 0.500 CA 1.164 9 residues pruned to eliminate duplicates Z: 29 14.884 1.849 0.455 0.342 0.929 0.607 CA 1.337 29 residues pruned to eliminate duplicates Z: 6 3.414 1.404 0.743 0.389 0.600 0.600 N 1.169 6 residues pruned to eliminate duplicates Z: 18 6.528 1.704 0.514 0.250 0.824 0.412 CB 0.993 18 residues pruned to eliminate duplicates Z: 28 15.255 1.863 0.592 0.335 0.926 0.556 CA 1.280 28 residues pruned to eliminate duplicates Z: 27 15.018 1.887 0.528 0.341 0.923 0.538 CB 1.315 27 residues pruned to eliminate duplicates Z: 29 15.689 1.829 0.564 0.379 0.964 0.536 CA 1.223 29 residues pruned to eliminate duplicates Z: 8 6.829 1.792 0.570 0.487 0.714 0.571 CB 1.301 8 residues pruned to eliminate duplicates Z: 15 11.371 1.770 0.356 0.584 0.929 0.500 CA 1.258 15 residues pruned to eliminate duplicates Z: 14 8.541 1.762 0.673 0.420 0.846 0.385 CB 1.032 14 residues pruned to eliminate duplicates Z: 8 5.424 1.738 0.318 0.553 0.857 0.429 CB 0.992 8 residues pruned to eliminate duplicates Z: 8 5.261 1.877 0.337 0.271 0.857 0.286 CB 1.199 8 residues pruned to eliminate duplicates Z: 12 10.700 1.810 0.613 0.562 0.909 0.545 CA 1.145 12 residues pruned to eliminate duplicates Z: 14 11.033 1.771 0.512 0.553 0.923 0.385 CB 1.176 14 residues pruned to eliminate duplicates Z: 27 16.179 1.939 0.467 0.434 0.885 0.577 CB 1.350 27 residues pruned to eliminate duplicates Z: 27 11.701 1.944 0.348 0.404 0.808 0.577 CB 1.199 27 residues pruned to eliminate duplicates Z: 33 16.055 1.881 0.549 0.360 0.844 0.562 CB 1.341 69 residues pruned to eliminate duplicates Z: 20 17.765 1.938 0.674 0.423 0.947 0.632 CB 1.437 Z: 6 8.351 1.878 1.389 0.347 0.800 0.400 CB 1.228 6 residues pruned to eliminate duplicates Z: 47 20.829 1.888 0.509 0.460 0.891 0.522 CB 1.260 67 residues pruned to eliminate duplicates Z: 18 16.460 2.005 0.755 0.344 0.882 0.647 CB 1.523 Z: 6 8.412 1.703 0.823 0.480 1.000 0.800 CB 1.237 6 residues pruned to eliminate duplicates Z: 30 16.173 1.857 0.484 0.446 0.828 0.552 CB 1.392 18 residues pruned to eliminate duplicates Z: 7 3.916 1.446 0.284 0.497 0.833 0.500 CA 1.037 7 residues pruned to eliminate duplicates Z: 22 26.930 2.074 0.495 0.882 1.000 0.714 CB 1.372 22 residues pruned to eliminate duplicates Z: 33 21.943 1.940 0.632 0.493 0.938 0.500 CB 1.316 62 residues pruned to eliminate duplicates Z: 23 22.537 1.943 0.677 0.646 0.909 0.636 CA 1.415 21 residues pruned to eliminate duplicates Z: 23 31.176 2.082 0.514 0.907 1.000 0.955 CB 1.499 23 residues pruned to eliminate duplicates Z: 27 22.717 1.987 0.372 0.759 0.962 0.731 CA 1.350 26 residues pruned to eliminate duplicates Z: 22 30.392 2.095 0.713 0.881 0.952 0.810 CB 1.404 22 residues pruned to eliminate duplicates Z: 24 34.588 2.093 0.730 0.853 1.000 0.870 CA 1.472 26 residues pruned to eliminate duplicates Z: 23 31.970 2.087 0.680 0.900 1.000 0.864 CA 1.388 23 residues pruned to eliminate duplicates Z: 27 31.042 2.061 0.659 0.760 1.000 0.885 CB 1.413 26 residues pruned to eliminate duplicates Z: 23 29.692 2.090 0.542 0.875 1.000 0.773 CB 1.429 23 residues pruned to eliminate duplicates Z: 27 29.043 2.024 0.725 0.751 0.962 0.769 CB 1.356 27 residues pruned to eliminate duplicates Z: 27 30.527 2.002 0.764 0.736 1.000 0.769 CB 1.372 27 residues pruned to eliminate duplicates Z: 24 30.895 1.969 0.860 0.858 1.000 0.739 CA 1.296 24 residues pruned to eliminate duplicates Z: 37 25.360 1.964 0.708 0.599 0.944 0.611 CB 1.214 28 residues pruned to eliminate duplicates Z: 24 31.388 1.960 0.851 0.892 1.000 0.826 CA 1.296 24 residues pruned to eliminate duplicates Z: 38 27.241 1.943 0.814 0.690 0.946 0.568 CB 1.129 38 residues pruned to eliminate duplicates Z: 25 30.690 2.068 0.808 0.801 1.000 0.750 CB 1.288 25 residues pruned to eliminate duplicates Z: 27 29.000 2.050 0.750 0.752 0.962 0.846 CB 1.317 27 residues pruned to eliminate duplicates Z: 30 25.851 1.961 0.681 0.688 0.931 0.621 CB 1.317 30 residues pruned to eliminate duplicates Z: 35 28.289 1.966 0.843 0.643 0.912 0.676 CB 1.284 35 residues pruned to eliminate duplicates Z: 32 28.837 2.005 0.601 0.718 0.935 0.806 CB 1.416 32 residues pruned to eliminate duplicates Z: 10 9.678 1.948 0.836 0.550 0.778 0.444 CB 1.104 10 residues pruned to eliminate duplicates Z: 37 28.283 1.956 0.771 0.703 0.889 0.667 CB 1.273 37 residues pruned to eliminate duplicates Z: 31 32.863 2.063 0.732 0.752 0.967 0.767 CB 1.388 31 residues pruned to eliminate duplicates Z: 9 8.099 1.851 0.765 0.615 0.750 0.500 CB 1.048 9 residues pruned to eliminate duplicates Z: 31 36.427 2.065 0.872 0.753 1.000 0.700 CB 1.373 31 residues pruned to eliminate duplicates Z: 9 10.103 1.827 0.537 0.644 0.750 0.625 CA 1.483 9 residues pruned to eliminate duplicates 1084 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 7 D: 20 E: 41 F: 34 G: 41 H: 20 I: 32 J: 21 K: 42 L: 37 M: 7 N: 41 O: 55 P: 33 Q: 15 R: 21 S: 49 T: 100 U: 42 V: 41 W: 121 X: 9 Y: 91 Z: 41 Z: 34 Z: 29 Z: 46 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 36.30 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.513, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.602, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.727, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 0.748, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.765, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.772, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.778, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.780, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.782, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.782, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6146 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1405 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 32.074 2.085 0.752 0.874 0.955 0.682 CA 1.427 B: 30 22.655 1.951 0.853 0.493 0.897 0.552 CB 1.308 C: 6 7.057 1.673 0.243 0.825 1.000 1.000 CA 1.146 D: 13 25.376 1.990 0.932 0.880 1.000 0.833 CA 1.380 E: 14 19.274 1.985 0.500 0.857 1.000 0.923 CA 1.323 14 residues pruned to eliminate duplicates F: 14 25.829 2.038 1.147 0.846 0.923 0.692 CA 1.318 G: 12 20.459 1.995 0.671 0.853 1.000 0.818 CA 1.367 H: 22 37.880 2.051 0.981 0.880 1.000 0.429 CA 1.474 I: 13 24.153 2.012 1.006 0.845 1.000 0.667 CB 1.284 J: 13 13.674 1.849 0.548 0.559 0.917 0.333 N 1.420 13 residues pruned to eliminate duplicates K: 13 27.203 2.104 0.989 0.883 1.000 1.000 CA 1.356 14 residues pruned to eliminate duplicates L: 41 35.244 2.066 0.915 0.478 0.975 0.500 CB 1.477 13 residues pruned to eliminate duplicates M: 12 21.395 2.148 0.641 0.875 1.000 0.909 CA 1.331 12 residues pruned to eliminate duplicates N: 22 37.491 2.009 1.009 0.900 1.000 0.619 CB 1.447 22 residues pruned to eliminate duplicates O: 11 15.031 1.939 0.602 0.809 0.900 0.800 CB 1.299 P: 14 28.169 1.880 1.250 0.806 1.000 0.385 CA 1.414 14 residues pruned to eliminate duplicates Q: 12 34.006 2.185 1.415 0.890 1.000 0.727 CA 1.397 12 residues pruned to eliminate duplicates R: 14 21.462 1.810 0.947 0.880 1.000 0.923 CB 1.224 S: 14 23.330 1.871 1.194 0.902 1.000 1.000 CA 1.124 T: 14 25.636 2.033 0.700 0.808 1.000 0.769 CA 1.573 13 residues pruned to eliminate duplicates U: 13 22.308 2.012 0.779 0.876 1.000 0.667 CA 1.308 13 residues pruned to eliminate duplicates V: 13 26.480 2.075 1.159 0.844 0.917 0.583 CA 1.386 13 residues pruned to eliminate duplicates W: 11 17.156 1.888 0.461 0.904 1.000 1.000 CA 1.401 X: 13 19.154 1.932 0.709 0.921 1.000 0.833 CB 1.178 Y: 12 30.725 2.143 1.391 0.872 0.909 0.636 CA 1.450 12 residues pruned to eliminate duplicates Z: 12 25.107 2.111 0.912 0.897 1.000 1.000 CA 1.342 13 residues pruned to eliminate duplicates Z: 23 14.821 1.886 0.328 0.583 0.909 0.591 CB 1.281 18 residues pruned to eliminate duplicates Z: 15 23.257 1.834 1.007 0.836 1.000 0.857 CA 1.263 Z: 20 28.656 1.960 0.915 0.830 0.947 0.737 CB 1.390 20 residues pruned to eliminate duplicates Z: 12 22.433 2.052 0.720 0.900 1.000 1.000 CA 1.369 13 residues pruned to eliminate duplicates Z: 12 25.468 2.008 0.910 0.913 1.000 0.727 CB 1.417 12 residues pruned to eliminate duplicates Z: 18 16.511 1.943 0.677 0.454 0.941 0.588 CB 1.369 19 residues pruned to eliminate duplicates Z: 13 17.977 1.887 0.918 0.851 1.000 0.833 CB 1.062 13 residues pruned to eliminate duplicates Z: 12 21.264 2.032 0.895 0.852 0.909 0.818 CB 1.355 11 residues pruned to eliminate duplicates Z: 22 35.398 2.062 0.926 0.833 1.000 0.571 CB 1.459 22 residues pruned to eliminate duplicates Z: 14 22.470 2.000 0.675 0.839 1.000 0.923 CA 1.390 Z: 17 24.346 2.162 0.758 0.441 1.000 0.562 CA 1.702 Z: 23 30.024 2.067 0.755 0.882 0.955 0.682 CB 1.338 23 residues pruned to eliminate duplicates Z: 13 15.452 1.999 0.531 0.879 1.000 0.833 CA 1.058 13 residues pruned to eliminate duplicates Z: 15 16.935 1.865 0.668 0.534 1.000 0.571 CB 1.407 Z: 22 24.534 2.044 0.568 0.854 0.952 0.857 CA 1.295 Z: 13 20.809 1.907 0.973 0.901 0.917 0.750 CB 1.244 13 residues pruned to eliminate duplicates Z: 15 20.877 1.832 0.884 0.852 1.000 0.786 CB 1.196 Z: 15 15.945 1.846 0.403 0.801 0.929 0.786 CA 1.362 Z: 22 34.923 2.102 0.766 0.907 1.000 0.952 CA 1.460 22 residues pruned to eliminate duplicates Z: 11 19.618 1.906 0.625 0.862 1.000 0.900 CB 1.471 11 residues pruned to eliminate duplicates Z: 23 30.448 2.081 0.561 0.899 1.000 0.818 CA 1.428 23 residues pruned to eliminate duplicates Z: 8 8.573 1.867 0.400 0.720 0.714 0.571 CB 1.423 Z: 12 18.627 1.890 0.898 0.816 1.000 0.636 CB 1.190 13 residues pruned to eliminate duplicates Z: 15 24.168 1.935 1.077 0.758 0.929 0.643 CA 1.376 15 residues pruned to eliminate duplicates Z: 24 27.245 2.003 0.570 0.874 1.000 0.870 CA 1.315 24 residues pruned to eliminate duplicates Z: 13 23.223 2.015 1.009 0.845 1.000 0.917 CA 1.232 14 residues pruned to eliminate duplicates Z: 13 20.991 2.027 0.782 0.814 1.000 0.667 CA 1.277 13 residues pruned to eliminate duplicates Z: 14 22.999 1.996 0.740 0.825 1.000 0.769 CA 1.386 14 residues pruned to eliminate duplicates Z: 15 19.235 1.801 0.783 0.881 1.000 0.714 CB 1.159 15 residues pruned to eliminate duplicates Z: 43 19.094 1.857 0.566 0.477 0.881 0.595 CB 1.177 Z: 45 25.086 1.985 0.572 0.596 0.864 0.432 CA 1.280 22 residues pruned to eliminate duplicates Z: 23 31.294 2.056 0.803 0.841 1.000 0.864 CA 1.343 23 residues pruned to eliminate duplicates Z: 13 23.898 1.976 0.992 0.819 1.000 0.417 CA 1.329 14 residues pruned to eliminate duplicates Z: 22 29.798 2.047 0.608 0.884 1.000 0.667 CA 1.427 22 residues pruned to eliminate duplicates Z: 22 15.124 1.925 0.705 0.568 0.857 0.571 CB 1.098 Z: 6 5.937 1.911 0.098 0.635 1.000 0.800 CB 1.115 Z: 21 20.274 1.861 0.339 0.864 1.000 0.850 CB 1.334 Z: 32 18.946 1.879 0.618 0.431 0.871 0.613 CB 1.381 Z: 12 17.869 1.814 0.724 0.896 1.000 0.909 CB 1.234 Z: 11 16.016 1.904 0.400 0.899 0.900 0.900 CA 1.509 Z: 23 33.383 2.052 0.762 0.858 1.000 0.636 CA 1.449 37 residues pruned to eliminate duplicates Z: 16 17.148 2.046 0.823 0.519 0.933 0.467 CB 1.248 Z: 13 27.343 2.016 1.375 0.886 0.917 0.917 CA 1.298 13 residues pruned to eliminate duplicates Z: 12 24.452 2.104 0.937 0.914 1.000 0.909 CA 1.279 12 residues pruned to eliminate duplicates Z: 42 36.937 2.139 0.879 0.505 0.902 0.634 CB 1.582 20 residues pruned to eliminate duplicates Z: 25 23.723 1.998 0.374 0.827 0.958 0.833 CA 1.387 25 residues pruned to eliminate duplicates Z: 13 15.504 1.872 0.738 0.785 0.833 0.750 CB 1.284 13 residues pruned to eliminate duplicates Z: 12 16.095 1.865 0.910 0.837 0.909 0.818 CB 1.121 12 residues pruned to eliminate duplicates Z: 10 19.466 1.999 0.776 0.877 1.000 0.889 CB 1.327 10 residues pruned to eliminate duplicates Z: 8 5.895 1.647 0.712 0.476 0.714 0.571 CB 1.134 Z: 9 10.762 1.985 0.346 0.670 0.875 0.875 CA 1.391 Z: 23 35.548 2.097 0.803 0.887 1.000 0.818 CA 1.445 23 residues pruned to eliminate duplicates Z: 9 11.514 1.937 0.467 0.626 0.875 0.500 CA 1.455 9 residues pruned to eliminate duplicates Z: 13 28.439 2.027 0.930 0.895 1.000 0.583 CB 1.504 13 residues pruned to eliminate duplicates Z: 13 18.851 1.902 0.633 0.820 1.000 0.833 CB 1.328 11 residues pruned to eliminate duplicates Z: 6 8.901 2.000 0.401 0.868 1.000 1.000 CB 1.038 6 residues pruned to eliminate duplicates Z: 19 9.495 1.842 0.368 0.554 0.833 0.444 CB 1.010 10 residues pruned to eliminate duplicates Z: 26 15.871 1.831 0.693 0.420 0.880 0.440 CB 1.265 Z: 21 26.240 1.941 0.870 0.864 0.900 0.750 CB 1.317 26 residues pruned to eliminate duplicates Z: 41 26.246 2.034 0.533 0.528 0.900 0.600 CA 1.439 30 residues pruned to eliminate duplicates Z: 6 7.648 1.885 0.304 0.753 1.000 0.600 CB 1.111 Z: 13 20.782 1.962 0.729 0.835 1.000 0.750 CA 1.325 12 residues pruned to eliminate duplicates Z: 33 33.384 2.102 0.816 0.523 0.969 0.500 CB 1.560 24 residues pruned to eliminate duplicates Z: 14 22.839 1.916 0.962 0.838 1.000 0.769 CB 1.260 13 residues pruned to eliminate duplicates Z: 22 19.842 1.749 0.813 0.831 0.952 0.571 CB 1.077 Z: 13 22.174 1.828 0.633 0.847 1.000 0.833 CA 1.592 11 residues pruned to eliminate duplicates Z: 14 17.364 1.795 0.664 0.835 1.000 1.000 CA 1.208 Z: 6 5.889 1.962 0.503 0.233 0.800 0.400 CA 1.524 Z: 13 19.264 1.933 0.813 0.839 0.917 0.833 CA 1.293 13 residues pruned to eliminate duplicates Z: 11 28.911 2.068 1.018 0.882 1.000 0.800 CA 1.585 12 residues pruned to eliminate duplicates Z: 31 16.295 1.926 0.434 0.420 0.900 0.500 CB 1.301 Z: 14 25.263 1.962 0.764 0.867 1.000 0.846 CA 1.480 14 residues pruned to eliminate duplicates Z: 10 11.466 1.721 0.791 0.925 1.000 1.000 CB 0.870 Z: 12 17.785 2.038 0.463 0.914 0.909 0.727 CB 1.399 12 residues pruned to eliminate duplicates Z: 12 21.555 2.097 0.584 0.871 1.000 0.818 CA 1.427 12 residues pruned to eliminate duplicates Z: 11 13.276 1.939 0.848 0.479 0.900 0.600 CB 1.329 11 residues pruned to eliminate duplicates Z: 14 23.703 1.975 0.835 0.809 1.000 0.692 CA 1.385 14 residues pruned to eliminate duplicates Z: 23 29.544 2.110 0.561 0.851 1.000 0.727 CA 1.416 23 residues pruned to eliminate duplicates Z: 9 8.725 1.615 0.990 0.737 0.750 0.625 CA 1.035 9 residues pruned to eliminate duplicates Z: 22 30.751 2.071 0.609 0.911 1.000 0.952 CA 1.428 22 residues pruned to eliminate duplicates Z: 12 27.438 2.108 1.006 0.889 1.000 1.000 CA 1.408 12 residues pruned to eliminate duplicates Z: 35 22.217 1.997 0.636 0.522 0.912 0.588 CB 1.252 11 residues pruned to eliminate duplicates Z: 23 27.862 1.908 0.782 0.879 1.000 0.409 CB 1.268 20 residues pruned to eliminate duplicates Z: 14 23.718 1.978 0.670 0.842 1.000 0.692 CA 1.484 14 residues pruned to eliminate duplicates Z: 14 16.667 1.665 0.512 0.823 0.923 0.846 C 1.504 14 residues pruned to eliminate duplicates Z: 22 33.619 2.015 0.959 0.885 0.905 0.571 CB 1.483 22 residues pruned to eliminate duplicates Z: 13 22.296 1.921 0.507 0.922 1.000 1.000 CA 1.563 Z: 15 16.511 1.978 0.560 0.583 1.000 0.714 CB 1.321 15 residues pruned to eliminate duplicates Z: 14 15.709 1.823 0.398 0.882 0.923 0.846 CB 1.340 14 residues pruned to eliminate duplicates Z: 7 6.167 1.580 0.303 0.718 0.833 0.333 CB 1.205 Z: 12 19.420 1.804 0.867 0.918 1.000 0.909 CA 1.226 12 residues pruned to eliminate duplicates Z: 15 21.871 1.879 0.896 0.792 0.929 0.786 CA 1.368 15 residues pruned to eliminate duplicates Z: 37 21.860 1.924 0.658 0.454 0.917 0.694 CB 1.306 33 residues pruned to eliminate duplicates Z: 14 20.968 1.872 0.597 0.856 1.000 0.692 CA 1.434 14 residues pruned to eliminate duplicates Z: 13 24.151 1.996 0.823 0.898 1.000 0.917 CA 1.371 12 residues pruned to eliminate duplicates Z: 14 14.999 1.686 0.701 0.820 0.923 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 22 33.031 2.043 0.897 0.853 1.000 0.810 CB 1.375 23 residues pruned to eliminate duplicates Z: 42 40.340 2.159 0.893 0.506 0.951 0.561 CB 1.611 40 residues pruned to eliminate duplicates Z: 7 10.565 1.915 0.456 0.737 0.833 0.500 CA 1.501 6 residues pruned to eliminate duplicates Z: 29 16.472 1.946 0.401 0.512 0.929 0.571 CB 1.215 30 residues pruned to eliminate duplicates Z: 13 23.414 1.942 0.793 0.892 1.000 1.000 CA 1.394 12 residues pruned to eliminate duplicates Z: 20 18.212 2.048 0.454 0.460 0.947 0.579 CB 1.543 Z: 19 17.950 2.038 0.767 0.383 0.889 0.389 CB 1.497 19 residues pruned to eliminate duplicates Z: 6 8.661 1.867 0.615 0.580 1.000 0.800 CA 1.189 6 residues pruned to eliminate duplicates Z: 41 32.611 2.121 0.807 0.451 0.950 0.400 CB 1.489 41 residues pruned to eliminate duplicates Z: 28 30.287 2.105 0.911 0.530 0.926 0.481 CB 1.519 29 residues pruned to eliminate duplicates Z: 11 20.177 1.910 0.952 0.914 1.000 0.800 CB 1.210 11 residues pruned to eliminate duplicates Z: 13 22.055 1.793 1.225 0.856 0.917 0.750 CB 1.284 13 residues pruned to eliminate duplicates Z: 13 17.931 1.824 0.876 0.854 0.917 0.667 CA 1.219 13 residues pruned to eliminate duplicates Z: 37 20.208 1.936 0.541 0.462 0.889 0.528 CA 1.321 37 residues pruned to eliminate duplicates Z: 8 5.743 1.806 0.504 0.429 0.714 0.429 CB 1.205 8 residues pruned to eliminate duplicates Z: 22 25.441 2.066 0.562 0.833 0.905 0.667 CA 1.427 22 residues pruned to eliminate duplicates Z: 23 21.371 1.974 0.280 0.924 1.000 0.818 CA 1.267 23 residues pruned to eliminate duplicates Z: 17 15.765 1.878 0.596 0.605 0.938 0.562 CB 1.269 22 residues pruned to eliminate duplicates Z: 8 18.156 1.839 0.940 0.772 1.000 0.429 CB 1.512 8 residues pruned to eliminate duplicates Z: 12 22.127 2.122 0.760 0.862 1.000 0.909 CA 1.311 12 residues pruned to eliminate duplicates Z: 22 8.058 1.690 0.342 0.299 0.905 0.524 CB 1.073 Z: 12 15.387 1.960 0.707 0.910 0.909 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 22 25.771 1.985 0.727 0.846 1.000 0.810 CA 1.219 20 residues pruned to eliminate duplicates Z: 22 30.382 2.057 0.647 0.902 1.000 0.762 CA 1.396 22 residues pruned to eliminate duplicates Z: 12 22.630 2.091 0.748 0.873 1.000 0.909 CA 1.360 12 residues pruned to eliminate duplicates Z: 15 15.290 1.773 0.248 0.916 0.929 0.786 CB 1.405 13 residues pruned to eliminate duplicates Z: 13 15.895 2.010 0.272 0.843 1.000 0.833 CA 1.336 14 residues pruned to eliminate duplicates Z: 50 24.962 1.966 0.582 0.467 0.898 0.551 CB 1.321 21 residues pruned to eliminate duplicates Z: 28 9.303 1.799 0.465 0.385 0.667 0.370 CB 1.152 27 residues pruned to eliminate duplicates Z: 14 23.555 1.893 0.860 0.860 0.923 0.538 CA 1.478 14 residues pruned to eliminate duplicates Z: 48 26.129 1.937 0.750 0.440 0.894 0.468 CB 1.338 30 residues pruned to eliminate duplicates Z: 14 19.544 1.848 0.766 0.827 1.000 0.615 CB 1.252 14 residues pruned to eliminate duplicates Z: 23 32.120 2.059 0.844 0.878 0.955 0.818 CB 1.371 23 residues pruned to eliminate duplicates Z: 42 39.215 2.168 0.910 0.511 0.927 0.561 CB 1.578 42 residues pruned to eliminate duplicates Z: 11 16.510 1.921 0.780 0.900 0.900 0.800 CB 1.211 8 residues pruned to eliminate duplicates Z: 28 16.024 1.918 0.518 0.438 0.889 0.741 CB 1.270 28 residues pruned to eliminate duplicates Z: 9 4.081 1.544 0.167 0.390 0.750 0.250 N 1.199 Z: 19 18.994 1.700 0.483 0.783 0.944 0.667 CA 1.466 22 residues pruned to eliminate duplicates Z: 12 9.553 1.830 0.416 0.484 0.909 0.364 CB 1.243 Z: 14 22.394 1.871 0.781 0.891 1.000 0.538 CB 1.339 15 residues pruned to eliminate duplicates Z: 12 18.606 1.791 0.616 0.801 1.000 0.636 CA 1.490 10 residues pruned to eliminate duplicates Z: 13 27.867 2.038 0.980 0.852 1.000 0.583 CA 1.474 13 residues pruned to eliminate duplicates Z: 12 11.586 1.818 0.713 0.551 0.909 0.727 CA 1.174 Z: 14 17.098 1.659 0.591 0.898 1.000 0.846 CA 1.285 14 residues pruned to eliminate duplicates Z: 10 13.026 1.773 0.774 0.907 1.000 0.778 CA 0.981 10 residues pruned to eliminate duplicates Z: 13 25.459 2.068 1.216 0.880 1.000 1.000 CA 1.162 13 residues pruned to eliminate duplicates Z: 43 27.447 1.999 0.606 0.542 0.905 0.595 CB 1.399 41 residues pruned to eliminate duplicates Z: 10 8.595 1.705 0.446 0.609 0.889 0.667 CA 1.179 10 residues pruned to eliminate duplicates Z: 23 28.803 1.961 0.755 0.847 1.000 0.636 CA 1.325 23 residues pruned to eliminate duplicates Z: 36 19.926 1.892 0.671 0.485 0.886 0.514 CB 1.221 14 residues pruned to eliminate duplicates Z: 12 11.711 2.017 0.802 0.615 0.909 0.455 CB 0.958 12 residues pruned to eliminate duplicates Z: 10 17.174 1.919 0.825 0.925 1.000 0.889 CB 1.147 10 residues pruned to eliminate duplicates Z: 11 10.991 1.704 0.867 0.845 1.000 0.800 CB 0.812 Z: 75 35.422 2.000 0.644 0.592 0.892 0.635 CB 1.286 69 residues pruned to eliminate duplicates Z: 14 11.169 1.717 0.552 0.916 1.000 0.615 CB 0.821 17 residues pruned to eliminate duplicates Z: 23 29.594 1.987 0.735 0.883 1.000 0.636 CA 1.323 23 residues pruned to eliminate duplicates Z: 13 23.438 2.037 0.860 0.825 1.000 0.667 CA 1.348 13 residues pruned to eliminate duplicates Z: 12 20.285 1.942 0.778 0.918 1.000 0.727 CB 1.250 12 residues pruned to eliminate duplicates Z: 36 21.262 2.011 0.559 0.506 0.886 0.657 CB 1.287 36 residues pruned to eliminate duplicates Z: 33 25.408 1.933 0.657 0.594 0.938 0.688 CB 1.366 17 residues pruned to eliminate duplicates Z: 32 28.336 2.065 0.835 0.494 0.935 0.581 CB 1.444 32 residues pruned to eliminate duplicates Z: 23 22.557 1.982 0.401 0.846 0.909 0.773 CB 1.415 23 residues pruned to eliminate duplicates Z: 42 31.850 2.095 0.721 0.530 0.927 0.610 CB 1.445 42 residues pruned to eliminate duplicates Z: 17 13.965 1.815 0.445 0.695 0.938 0.688 CB 1.189 17 residues pruned to eliminate duplicates Z: 23 35.160 2.019 0.967 0.831 0.955 0.591 CA 1.485 22 residues pruned to eliminate duplicates Z: 22 27.361 2.001 0.716 0.841 0.952 0.619 CA 1.361 22 residues pruned to eliminate duplicates Z: 23 28.914 2.031 0.644 0.849 0.955 0.727 CA 1.433 23 residues pruned to eliminate duplicates Z: 8 10.403 2.102 0.167 0.574 1.000 0.714 CA 1.493 8 residues pruned to eliminate duplicates Z: 25 26.488 1.889 0.699 0.828 0.875 0.583 CB 1.449 25 residues pruned to eliminate duplicates Z: 14 19.372 1.868 0.581 0.843 1.000 0.846 CA 1.354 14 residues pruned to eliminate duplicates Z: 10 8.024 1.640 0.196 0.825 1.000 0.778 CB 1.029 10 residues pruned to eliminate duplicates Z: 23 28.299 1.995 0.430 0.885 1.000 0.909 CA 1.528 23 residues pruned to eliminate duplicates Z: 10 8.149 1.780 0.223 0.687 0.889 0.667 CA 1.182 10 residues pruned to eliminate duplicates Z: 42 37.283 2.133 0.937 0.472 0.927 0.463 CB 1.565 41 residues pruned to eliminate duplicates Z: 14 19.408 1.843 0.537 0.858 1.000 0.692 CA 1.399 14 residues pruned to eliminate duplicates Z: 13 23.809 1.910 0.808 0.903 1.000 0.667 CA 1.418 13 residues pruned to eliminate duplicates Z: 24 24.988 2.001 0.556 0.869 0.957 0.870 CA 1.278 24 residues pruned to eliminate duplicates Z: 13 17.935 1.718 0.643 0.854 0.917 0.833 CA 1.478 13 residues pruned to eliminate duplicates Z: 9 7.635 1.633 0.474 0.806 1.000 0.625 CB 0.858 9 residues pruned to eliminate duplicates Z: 23 24.715 1.978 0.533 0.847 1.000 0.773 CA 1.291 23 residues pruned to eliminate duplicates Z: 33 17.900 2.013 0.509 0.437 0.844 0.531 CB 1.318 33 residues pruned to eliminate duplicates Z: 14 16.047 1.783 0.507 0.822 1.000 0.846 CA 1.253 14 residues pruned to eliminate duplicates Z: 24 27.439 2.018 0.559 0.869 0.957 0.826 CA 1.389 24 residues pruned to eliminate duplicates Z: 12 25.616 2.136 0.811 0.862 1.000 0.636 CA 1.466 12 residues pruned to eliminate duplicates Z: 37 22.065 1.938 0.538 0.478 0.972 0.667 CB 1.298 37 residues pruned to eliminate duplicates Z: 42 26.974 1.905 0.762 0.532 0.902 0.610 CB 1.347 43 residues pruned to eliminate duplicates Z: 22 23.084 1.988 0.476 0.878 0.952 0.762 CA 1.308 22 residues pruned to eliminate duplicates Z: 18 20.338 1.720 0.707 0.850 0.882 0.706 CB 1.410 18 residues pruned to eliminate duplicates Z: 9 19.154 1.857 1.060 0.843 1.000 0.750 CB 1.318 9 residues pruned to eliminate duplicates Z: 7 4.605 1.797 -0.032 0.631 1.000 0.833 CB 0.956 7 residues pruned to eliminate duplicates Z: 30 24.674 1.997 0.612 0.619 0.966 0.690 CB 1.318 30 residues pruned to eliminate duplicates Z: 22 31.417 2.055 0.813 0.890 0.952 0.619 CB 1.391 22 residues pruned to eliminate duplicates Z: 23 12.467 1.799 0.312 0.491 0.864 0.727 CB 1.316 Z: 11 15.594 1.857 0.511 0.795 0.900 0.700 CA 1.508 11 residues pruned to eliminate duplicates Z: 22 19.542 1.753 0.543 0.849 0.952 0.714 CB 1.227 22 residues pruned to eliminate duplicates Z: 13 17.841 2.029 0.619 0.894 0.833 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 13 19.449 1.812 0.761 0.847 1.000 0.917 CB 1.307 13 residues pruned to eliminate duplicates Z: 44 39.609 2.121 0.945 0.533 0.930 0.605 CB 1.523 42 residues pruned to eliminate duplicates Z: 27 12.099 1.731 0.424 0.441 0.885 0.577 CB 1.156 Z: 15 18.785 1.759 0.610 0.865 0.929 0.857 CA 1.400 15 residues pruned to eliminate duplicates Z: 20 14.251 1.918 0.489 0.438 0.895 0.579 CA 1.365 Z: 40 15.039 1.871 0.611 0.389 0.846 0.513 CB 1.062 40 residues pruned to eliminate duplicates Z: 8 7.747 1.682 0.684 0.353 1.000 0.429 CB 1.212 8 residues pruned to eliminate duplicates Z: 41 17.474 1.805 0.678 0.550 0.875 0.575 CB 0.993 11 residues pruned to eliminate duplicates Z: 11 22.808 1.998 0.971 0.929 1.000 0.800 CB 1.282 11 residues pruned to eliminate duplicates Z: 38 17.687 1.901 0.432 0.458 0.865 0.541 CB 1.290 38 residues pruned to eliminate duplicates Z: 33 28.760 2.014 0.837 0.524 0.906 0.406 CB 1.481 14 residues pruned to eliminate duplicates Z: 45 27.443 1.987 0.858 0.438 0.864 0.500 CB 1.384 41 residues pruned to eliminate duplicates Z: 54 29.823 2.008 0.621 0.548 0.868 0.642 CB 1.384 52 residues pruned to eliminate duplicates Z: 25 27.432 1.944 0.612 0.811 0.958 0.667 CA 1.422 25 residues pruned to eliminate duplicates Z: 24 25.881 1.961 0.524 0.839 1.000 0.870 CA 1.348 24 residues pruned to eliminate duplicates Z: 16 11.269 1.867 0.593 0.497 0.800 0.733 CB 1.226 Z: 23 28.211 1.944 0.652 0.875 0.955 0.818 CA 1.427 23 residues pruned to eliminate duplicates Z: 7 8.228 1.790 0.211 0.786 0.833 0.667 CA 1.447 7 residues pruned to eliminate duplicates Z: 11 8.204 1.685 0.579 0.859 1.000 0.800 CB 0.718 10 residues pruned to eliminate duplicates Z: 41 32.932 2.094 0.816 0.534 0.975 0.400 CB 1.358 49 residues pruned to eliminate duplicates Z: 22 31.206 2.067 0.746 0.813 1.000 0.714 CB 1.437 22 residues pruned to eliminate duplicates Z: 41 22.178 1.935 0.572 0.445 0.925 0.625 CB 1.319 40 residues pruned to eliminate duplicates Z: 44 32.356 2.017 0.748 0.508 1.000 0.628 CB 1.388 44 residues pruned to eliminate duplicates Z: 10 10.578 1.872 0.231 0.923 1.000 1.000 CB 1.075 10 residues pruned to eliminate duplicates Z: 22 32.383 2.054 0.693 0.911 1.000 0.762 CA 1.441 22 residues pruned to eliminate duplicates Z: 14 20.836 1.773 0.777 0.889 1.000 0.846 CA 1.321 14 residues pruned to eliminate duplicates Z: 15 10.811 1.973 0.455 0.395 0.786 0.500 N 1.432 15 residues pruned to eliminate duplicates Z: 12 16.609 2.082 0.439 0.810 1.000 0.727 CA 1.276 12 residues pruned to eliminate duplicates Z: 6 2.809 1.647 0.455 0.314 0.800 0.400 CB 0.805 6 residues pruned to eliminate duplicates Z: 35 21.528 2.014 0.465 0.486 0.882 0.618 CB 1.437 35 residues pruned to eliminate duplicates Z: 37 20.971 1.834 0.728 0.455 0.944 0.639 CB 1.223 36 residues pruned to eliminate duplicates Z: 12 26.310 2.154 1.021 0.862 1.000 0.909 CA 1.338 12 residues pruned to eliminate duplicates Z: 15 6.004 1.660 0.665 0.455 0.643 0.357 CB 0.946 Z: 14 18.534 1.802 0.516 0.925 0.923 0.538 CA 1.431 14 residues pruned to eliminate duplicates Z: 35 24.289 2.023 0.537 0.501 0.971 0.647 CA 1.379 35 residues pruned to eliminate duplicates Z: 7 12.786 1.819 0.740 0.876 1.000 0.667 CB 1.199 7 residues pruned to eliminate duplicates Z: 19 23.040 1.836 0.890 0.804 0.889 0.500 CB 1.350 19 residues pruned to eliminate duplicates Z: 9 15.702 2.003 0.343 0.899 1.000 1.000 CA 1.475 10 residues pruned to eliminate duplicates Z: 11 12.973 1.811 0.431 0.807 1.000 0.700 CB 1.211 Z: 24 24.111 1.981 0.659 0.799 0.870 0.652 CB 1.354 24 residues pruned to eliminate duplicates Z: 10 11.610 1.749 0.268 0.848 1.000 0.778 CA 1.294 9 residues pruned to eliminate duplicates Z: 6 15.751 2.079 0.752 0.690 1.000 0.600 CA 1.625 6 residues pruned to eliminate duplicates Z: 12 20.229 2.051 0.779 0.832 0.909 0.636 CB 1.381 12 residues pruned to eliminate duplicates Z: 37 31.984 2.017 0.853 0.601 0.917 0.722 CB 1.414 40 residues pruned to eliminate duplicates Z: 11 12.630 1.808 0.745 0.921 1.000 0.900 CB 0.891 11 residues pruned to eliminate duplicates Z: 16 13.805 1.862 0.924 0.418 0.800 0.533 CB 1.354 16 residues pruned to eliminate duplicates Z: 6 9.873 1.860 0.416 0.879 1.000 0.800 CB 1.216 6 residues pruned to eliminate duplicates Z: 49 24.615 1.842 0.562 0.554 0.896 0.646 CB 1.308 37 residues pruned to eliminate duplicates Z: 24 24.256 1.985 0.329 0.873 0.957 0.826 CB 1.459 24 residues pruned to eliminate duplicates Z: 23 24.987 1.996 0.481 0.903 1.000 1.000 CA 1.284 23 residues pruned to eliminate duplicates Z: 22 23.050 2.036 0.487 0.877 0.952 0.905 CA 1.267 22 residues pruned to eliminate duplicates Z: 43 32.701 2.090 0.767 0.510 0.952 0.452 CB 1.421 43 residues pruned to eliminate duplicates 6 0.253 1.417 0.436 0.299 0.600 0.400 CB 0.116 ? Z: 8 10.886 1.812 0.764 0.726 0.714 0.429 CA 1.470 8 residues pruned to eliminate duplicates Z: 21 22.128 2.039 0.323 0.889 1.000 0.850 CA 1.320 21 residues pruned to eliminate duplicates Z: 13 16.284 1.977 0.365 0.862 1.000 1.000 CA 1.279 13 residues pruned to eliminate duplicates Z: 16 16.768 1.845 0.430 0.728 0.867 0.533 CA 1.542 16 residues pruned to eliminate duplicates Z: 35 14.861 1.913 0.304 0.338 0.853 0.618 CA 1.430 29 residues pruned to eliminate duplicates Z: 23 12.881 1.803 0.284 0.628 0.864 0.591 CB 1.217 12 residues pruned to eliminate duplicates Z: 15 19.136 1.770 0.683 0.846 1.000 0.643 CB 1.275 17 residues pruned to eliminate duplicates Z: 23 8.336 1.682 0.517 0.266 0.818 0.409 CB 1.112 20 residues pruned to eliminate duplicates Z: 22 28.908 1.972 0.666 0.878 0.952 0.667 CB 1.463 22 residues pruned to eliminate duplicates Z: 16 15.950 1.887 0.552 0.690 0.800 0.467 CA 1.477 13 residues pruned to eliminate duplicates Z: 12 20.428 1.986 1.208 0.907 0.909 0.818 CB 1.098 13 residues pruned to eliminate duplicates Z: 14 20.713 1.877 0.667 0.815 1.000 0.846 CA 1.396 14 residues pruned to eliminate duplicates Z: 42 24.432 1.909 0.575 0.557 0.902 0.732 CB 1.330 42 residues pruned to eliminate duplicates Z: 23 31.256 2.046 0.894 0.877 0.955 0.682 CA 1.309 23 residues pruned to eliminate duplicates Z: 12 28.857 2.040 0.932 0.916 1.000 0.909 CB 1.559 12 residues pruned to eliminate duplicates Z: 7 4.969 1.846 0.045 0.440 1.000 0.500 CB 1.118 Z: 11 8.993 1.851 0.506 0.588 0.900 0.700 CB 1.041 11 residues pruned to eliminate duplicates Z: 12 23.319 2.041 0.740 0.887 1.000 0.909 CA 1.428 13 residues pruned to eliminate duplicates Z: 35 37.645 2.042 0.810 0.703 0.941 0.618 CB 1.543 62 residues pruned to eliminate duplicates Z: 8 7.345 1.752 1.023 0.333 0.714 0.714 CB 1.316 8 residues pruned to eliminate duplicates Z: 13 17.808 1.681 0.548 0.890 1.000 0.833 CA 1.422 12 residues pruned to eliminate duplicates Z: 12 7.376 1.669 0.252 0.361 0.909 0.364 O 1.360 Z: 13 17.356 1.949 0.458 0.909 1.000 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 13 18.926 1.967 0.780 0.820 0.917 0.833 CB 1.289 13 residues pruned to eliminate duplicates Z: 37 20.665 1.850 0.457 0.535 0.917 0.667 CA 1.346 31 residues pruned to eliminate duplicates Z: 24 32.265 2.001 0.895 0.839 0.957 0.478 CB 1.385 24 residues pruned to eliminate duplicates Z: 32 31.330 1.950 0.776 0.732 0.935 0.613 CA 1.409 29 residues pruned to eliminate duplicates Z: 17 11.340 1.847 0.580 0.465 0.812 0.750 CB 1.238 16 residues pruned to eliminate duplicates Z: 9 7.647 1.791 0.361 0.658 0.750 0.625 CB 1.277 9 residues pruned to eliminate duplicates Z: 11 22.314 1.990 0.953 0.918 1.000 0.400 CB 1.281 11 residues pruned to eliminate duplicates Z: 26 15.131 1.915 0.648 0.484 0.760 0.400 CB 1.282 26 residues pruned to eliminate duplicates Z: 12 10.464 1.798 0.386 0.565 1.000 0.636 CB 1.188 12 residues pruned to eliminate duplicates Z: 6 3.824 1.305 0.610 0.661 0.800 0.800 O 0.877 6 residues pruned to eliminate duplicates Z: 32 12.418 1.749 0.382 0.380 0.806 0.548 CB 1.300 32 residues pruned to eliminate duplicates Z: 6 7.620 1.818 0.375 0.739 0.800 0.800 CB 1.375 Z: 9 11.869 1.758 0.781 0.539 0.875 0.875 CB 1.474 9 residues pruned to eliminate duplicates Z: 6 2.309 1.387 -0.082 0.546 0.800 0.400 C 0.969 Z: 12 19.169 1.775 0.628 0.888 0.909 0.727 CA 1.585 12 residues pruned to eliminate duplicates Z: 13 12.360 1.786 0.387 0.822 0.833 0.750 CB 1.308 13 residues pruned to eliminate duplicates Z: 7 12.678 1.919 0.636 0.697 1.000 0.500 CA 1.378 7 residues pruned to eliminate duplicates Z: 13 22.703 1.965 0.764 0.899 1.000 0.667 CA 1.352 13 residues pruned to eliminate duplicates Z: 34 23.821 2.072 0.654 0.512 0.879 0.697 CB 1.360 35 residues pruned to eliminate duplicates Z: 14 21.760 1.805 0.679 0.904 1.000 0.769 CA 1.418 14 residues pruned to eliminate duplicates Z: 7 5.221 1.634 0.580 0.419 0.833 0.500 CA 1.078 Z: 13 19.672 2.003 0.479 0.847 1.000 1.000 CA 1.423 13 residues pruned to eliminate duplicates Z: 43 28.817 2.034 0.615 0.552 0.929 0.643 CA 1.385 42 residues pruned to eliminate duplicates Z: 40 22.809 1.942 0.810 0.439 0.846 0.462 CB 1.308 40 residues pruned to eliminate duplicates Z: 21 24.419 2.075 0.338 0.893 1.000 0.800 CA 1.412 21 residues pruned to eliminate duplicates Z: 12 9.054 1.782 0.426 0.440 1.000 0.636 CB 1.143 Z: 16 16.898 1.742 0.661 0.799 0.933 0.667 CB 1.244 16 residues pruned to eliminate duplicates Z: 6 9.945 1.883 0.521 0.693 1.000 0.800 CB 1.302 Z: 19 28.937 2.065 0.966 0.882 0.833 0.444 CA 1.459 19 residues pruned to eliminate duplicates Z: 22 25.454 2.086 0.520 0.852 0.952 0.762 CA 1.361 22 residues pruned to eliminate duplicates Z: 24 21.594 2.135 0.694 0.347 0.957 0.522 CB 1.537 24 residues pruned to eliminate duplicates Z: 24 25.107 1.969 0.550 0.877 0.957 0.826 CA 1.301 24 residues pruned to eliminate duplicates Z: 47 21.528 1.947 0.413 0.529 0.870 0.609 CB 1.290 47 residues pruned to eliminate duplicates Z: 9 7.466 1.966 0.084 0.540 0.875 0.625 CA 1.360 9 residues pruned to eliminate duplicates Z: 23 22.300 1.920 0.648 0.843 0.955 0.727 CB 1.172 23 residues pruned to eliminate duplicates Z: 9 6.245 1.562 0.747 0.450 1.000 0.750 CB 0.852 Z: 14 19.791 1.801 0.948 0.871 0.923 0.692 CA 1.236 14 residues pruned to eliminate duplicates Z: 12 7.694 1.633 0.369 0.602 0.727 0.364 CB 1.295 Z: 23 20.496 1.751 0.717 0.854 0.955 0.545 CB 1.124 33 residues pruned to eliminate duplicates Z: 45 14.123 1.780 0.465 0.363 0.841 0.500 CB 1.125 45 residues pruned to eliminate duplicates Z: 14 9.914 1.755 0.539 0.413 0.846 0.615 CA 1.317 13 residues pruned to eliminate duplicates Z: 14 23.896 1.938 0.822 0.892 1.000 0.846 CA 1.348 14 residues pruned to eliminate duplicates Z: 34 18.331 1.883 0.714 0.493 0.818 0.545 CB 1.217 31 residues pruned to eliminate duplicates Z: 12 28.092 2.003 1.165 0.886 1.000 0.727 CA 1.409 12 residues pruned to eliminate duplicates Z: 11 8.550 1.558 0.631 0.790 0.900 0.800 CB 0.916 10 residues pruned to eliminate duplicates Z: 9 6.343 1.498 0.666 0.631 0.750 0.500 CB 1.059 9 residues pruned to eliminate duplicates Z: 16 6.905 1.721 0.315 0.443 0.800 0.467 CB 1.045 16 residues pruned to eliminate duplicates Z: 26 15.704 1.998 0.420 0.493 0.880 0.480 CB 1.268 26 residues pruned to eliminate duplicates Z: 14 9.143 1.790 0.688 0.422 0.846 0.692 CB 1.076 14 residues pruned to eliminate duplicates Z: 13 27.088 2.004 1.257 0.829 1.000 0.583 CA 1.301 13 residues pruned to eliminate duplicates Z: 26 17.437 1.950 0.670 0.483 0.960 0.640 CB 1.135 17 residues pruned to eliminate duplicates Z: 22 25.159 2.048 0.433 0.905 1.000 0.952 CA 1.331 22 residues pruned to eliminate duplicates Z: 21 18.427 2.091 0.712 0.343 0.900 0.450 CB 1.517 21 residues pruned to eliminate duplicates Z: 15 6.571 1.644 0.428 0.459 0.714 0.571 CB 1.092 15 residues pruned to eliminate duplicates Z: 8 9.454 1.807 0.212 0.805 1.000 0.429 CA 1.250 8 residues pruned to eliminate duplicates Z: 23 26.499 2.048 0.583 0.873 0.955 0.909 CA 1.330 23 residues pruned to eliminate duplicates Z: 6 3.825 1.635 0.546 0.459 0.800 0.600 CB 0.882 6 residues pruned to eliminate duplicates Z: 20 18.085 2.103 0.719 0.403 0.895 0.474 CB 1.420 20 residues pruned to eliminate duplicates Z: 6 4.607 1.750 -0.070 0.799 1.000 0.800 CB 0.975 6 residues pruned to eliminate duplicates Z: 14 21.774 1.762 1.135 0.850 1.000 0.846 CB 1.189 14 residues pruned to eliminate duplicates Z: 44 29.737 2.053 0.602 0.535 0.930 0.558 CB 1.431 44 residues pruned to eliminate duplicates Z: 6 3.939 1.645 -0.050 0.495 1.000 0.800 CB 1.133 Z: 23 29.874 1.996 0.869 0.846 0.955 0.636 CB 1.329 23 residues pruned to eliminate duplicates Z: 32 13.907 1.806 0.482 0.386 0.903 0.290 CB 1.166 32 residues pruned to eliminate duplicates Z: 7 8.008 1.664 0.849 0.714 0.667 0.500 CB 1.313 7 residues pruned to eliminate duplicates Z: 22 27.780 2.007 0.805 0.851 0.952 0.810 CB 1.301 22 residues pruned to eliminate duplicates Z: 48 31.761 1.976 0.688 0.634 0.915 0.596 CB 1.339 43 residues pruned to eliminate duplicates Z: 15 15.468 1.808 0.465 0.845 0.929 0.714 CA 1.250 15 residues pruned to eliminate duplicates Z: 20 13.484 1.824 0.689 0.351 0.895 0.474 CA 1.319 22 residues pruned to eliminate duplicates Z: 25 15.194 1.915 0.545 0.465 0.833 0.625 CB 1.303 25 residues pruned to eliminate duplicates Z: 19 23.656 2.002 0.573 0.910 0.944 0.889 CA 1.329 19 residues pruned to eliminate duplicates Z: 22 26.396 2.057 0.674 0.855 0.905 0.667 CA 1.365 22 residues pruned to eliminate duplicates Z: 11 10.720 1.738 0.711 0.816 0.900 0.800 CB 0.962 Z: 38 25.161 2.000 0.524 0.573 0.892 0.703 CB 1.418 38 residues pruned to eliminate duplicates Z: 13 22.607 1.904 0.709 0.865 1.000 0.583 CA 1.470 13 residues pruned to eliminate duplicates Z: 13 19.580 1.949 0.619 0.905 1.000 0.833 CA 1.275 13 residues pruned to eliminate duplicates Z: 6 4.695 1.309 0.923 0.527 1.000 0.600 CA 0.812 Z: 13 23.369 2.092 1.035 0.879 1.000 0.917 CA 1.149 13 residues pruned to eliminate duplicates Z: 11 4.615 1.454 0.381 0.248 0.900 0.200 CA 1.080 11 residues pruned to eliminate duplicates Z: 22 20.277 1.988 0.830 0.591 0.905 0.524 CB 1.232 13 residues pruned to eliminate duplicates Z: 7 8.974 2.011 0.563 0.631 0.833 0.667 CB 1.237 7 residues pruned to eliminate duplicates Z: 11 13.729 1.832 0.584 0.907 1.000 1.000 CB 1.063 11 residues pruned to eliminate duplicates Z: 24 11.605 1.781 0.373 0.408 0.870 0.609 CB 1.253 25 residues pruned to eliminate duplicates Z: 9 9.300 1.692 0.433 0.765 1.000 0.625 CA 1.072 9 residues pruned to eliminate duplicates Z: 42 26.193 1.961 0.733 0.458 0.951 0.463 CB 1.320 42 residues pruned to eliminate duplicates Z: 13 9.477 1.743 0.724 0.413 0.750 0.667 CB 1.331 13 residues pruned to eliminate duplicates Z: 7 10.541 1.910 0.380 0.889 1.000 1.000 CB 1.175 7 residues pruned to eliminate duplicates Z: 14 5.371 1.565 0.402 0.215 0.769 0.538 CB 1.234 14 residues pruned to eliminate duplicates Z: 9 5.982 1.525 0.563 0.550 0.875 0.500 N 0.966 9 residues pruned to eliminate duplicates Z: 10 8.525 1.668 0.688 0.900 1.000 0.667 CB 0.721 10 residues pruned to eliminate duplicates Z: 41 25.752 1.926 0.532 0.549 0.925 0.725 CA 1.422 39 residues pruned to eliminate duplicates Z: 19 18.136 2.061 0.655 0.412 0.944 0.500 CB 1.455 19 residues pruned to eliminate duplicates Z: 6 8.282 1.784 0.501 0.809 0.800 0.600 CA 1.321 6 residues pruned to eliminate duplicates Z: 29 16.555 1.868 0.434 0.421 0.929 0.607 CB 1.366 29 residues pruned to eliminate duplicates Z: 14 16.654 1.884 0.532 0.830 1.000 0.615 CB 1.204 14 residues pruned to eliminate duplicates Z: 6 4.422 1.821 -0.072 0.450 1.000 0.600 CB 1.232 6 residues pruned to eliminate duplicates Z: 46 20.043 1.796 0.609 0.509 0.889 0.622 CB 1.153 44 residues pruned to eliminate duplicates Z: 23 26.767 1.902 0.712 0.881 1.000 0.909 CA 1.269 23 residues pruned to eliminate duplicates Z: 12 19.788 1.850 0.651 0.885 1.000 0.727 CA 1.410 12 residues pruned to eliminate duplicates Z: 27 20.014 1.977 0.528 0.610 0.923 0.654 CB 1.268 27 residues pruned to eliminate duplicates Z: 11 12.568 1.832 0.268 0.841 1.000 0.900 CB 1.276 11 residues pruned to eliminate duplicates Z: 17 18.865 1.956 0.868 0.651 0.875 0.875 CB 1.281 17 residues pruned to eliminate duplicates Z: 41 35.269 2.153 0.696 0.490 0.975 0.550 CB 1.582 41 residues pruned to eliminate duplicates Z: 18 29.884 2.120 0.810 0.897 0.941 0.647 CA 1.436 18 residues pruned to eliminate duplicates Z: 13 20.855 1.950 0.724 0.875 1.000 0.917 CA 1.302 13 residues pruned to eliminate duplicates Z: 8 7.934 1.601 0.707 0.547 1.000 0.714 CB 1.048 9 residues pruned to eliminate duplicates Z: 6 7.662 1.918 0.080 0.731 1.000 0.800 CA 1.344 6 residues pruned to eliminate duplicates Z: 6 9.770 1.756 0.536 0.849 1.000 1.000 CB 1.201 6 residues pruned to eliminate duplicates Z: 6 5.767 1.646 0.604 0.695 1.000 0.600 CB 0.818 6 residues pruned to eliminate duplicates Z: 12 20.233 1.984 0.628 0.840 1.000 0.909 CA 1.410 12 residues pruned to eliminate duplicates Z: 22 37.976 2.093 0.936 0.878 1.000 0.429 CA 1.485 22 residues pruned to eliminate duplicates Z: 7 7.405 1.736 0.424 0.606 0.833 0.500 CB 1.327 Z: 42 31.504 2.051 0.943 0.476 0.902 0.561 CB 1.402 42 residues pruned to eliminate duplicates Z: 22 15.076 1.917 0.477 0.514 0.905 0.619 CB 1.266 22 residues pruned to eliminate duplicates Z: 30 18.524 1.916 0.430 0.619 0.897 0.621 CB 1.252 30 residues pruned to eliminate duplicates Z: 7 5.207 1.707 0.277 0.634 1.000 0.833 CB 0.860 Z: 14 18.651 1.828 0.724 0.852 1.000 0.769 CA 1.214 14 residues pruned to eliminate duplicates Z: 17 24.534 1.979 1.044 0.662 1.000 0.812 CB 1.305 17 residues pruned to eliminate duplicates Z: 23 30.794 1.994 0.855 0.842 1.000 0.500 CB 1.323 23 residues pruned to eliminate duplicates Z: 6 10.312 1.777 0.555 0.826 1.000 0.400 CA 1.258 6 residues pruned to eliminate duplicates Z: 8 5.168 1.642 0.401 0.474 0.714 0.571 N 1.220 8 residues pruned to eliminate duplicates Z: 40 35.437 2.102 0.848 0.576 0.923 0.513 CB 1.470 41 residues pruned to eliminate duplicates Z: 34 23.701 2.027 0.662 0.513 0.879 0.576 CA 1.375 34 residues pruned to eliminate duplicates Z: 13 11.445 1.814 1.023 0.517 0.833 0.583 CB 1.063 Z: 36 26.925 2.007 0.745 0.535 0.886 0.543 CB 1.418 36 residues pruned to eliminate duplicates Z: 57 30.465 1.918 0.468 0.608 0.946 0.571 CB 1.378 62 residues pruned to eliminate duplicates Z: 6 5.924 1.937 0.265 0.764 0.800 0.600 CB 1.068 6 residues pruned to eliminate duplicates Z: 39 25.351 1.939 0.674 0.511 0.947 0.605 CB 1.323 38 residues pruned to eliminate duplicates Z: 21 20.597 1.760 0.574 0.867 1.000 0.750 CA 1.216 21 residues pruned to eliminate duplicates Z: 13 20.508 1.894 0.567 0.859 1.000 0.667 CB 1.468 13 residues pruned to eliminate duplicates Z: 9 7.493 1.651 0.296 0.627 0.875 0.375 N 1.255 9 residues pruned to eliminate duplicates Z: 13 16.983 1.775 1.017 0.812 0.917 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 6 6.903 1.766 0.399 0.639 0.800 0.600 CA 1.371 4 residues pruned to eliminate duplicates Z: 8 7.663 1.739 0.786 0.482 0.857 0.571 CB 1.109 10 residues pruned to eliminate duplicates Z: 7 5.492 1.640 0.087 0.605 1.000 0.667 CB 1.138 Z: 19 14.889 1.706 0.661 0.551 0.889 0.500 CB 1.327 18 residues pruned to eliminate duplicates Z: 9 10.081 1.712 0.916 0.628 0.750 0.500 CA 1.284 9 residues pruned to eliminate duplicates Z: 21 18.672 2.035 0.746 0.402 0.950 0.550 CB 1.372 21 residues pruned to eliminate duplicates Z: 6 3.219 1.363 0.962 0.521 1.000 0.600 CB 0.527 Z: 39 29.242 1.962 0.868 0.585 0.895 0.474 CB 1.334 39 residues pruned to eliminate duplicates Z: 11 6.972 1.620 0.651 0.548 0.700 0.700 CB 1.125 11 residues pruned to eliminate duplicates Z: 10 12.539 1.742 0.453 0.742 1.000 0.778 CA 1.329 10 residues pruned to eliminate duplicates Z: 42 28.459 2.001 0.857 0.475 0.902 0.463 CB 1.359 42 residues pruned to eliminate duplicates Z: 14 8.006 1.797 0.359 0.432 0.769 0.538 CB 1.268 14 residues pruned to eliminate duplicates Z: 15 16.681 1.834 0.725 0.830 0.929 0.786 CA 1.141 15 residues pruned to eliminate duplicates Z: 10 6.707 1.697 0.247 0.556 0.778 0.556 CA 1.287 Z: 8 5.990 1.754 0.311 0.718 0.857 0.857 CB 0.943 Z: 41 33.327 2.032 0.980 0.494 0.900 0.500 CB 1.463 45 residues pruned to eliminate duplicates Z: 35 20.320 1.819 0.587 0.574 0.853 0.618 CB 1.318 35 residues pruned to eliminate duplicates Z: 10 8.084 1.785 0.168 0.687 0.889 0.667 N 1.225 10 residues pruned to eliminate duplicates Z: 14 14.003 1.839 0.319 0.875 1.000 0.923 CA 1.164 14 residues pruned to eliminate duplicates Z: 24 23.384 1.967 0.652 0.783 0.957 0.652 CB 1.223 24 residues pruned to eliminate duplicates Z: 6 6.147 1.742 0.511 0.497 1.000 0.400 CB 1.047 6 residues pruned to eliminate duplicates Z: 8 8.869 1.751 0.439 0.549 1.000 0.714 CB 1.269 Z: 12 15.384 1.983 0.551 0.840 0.818 0.545 CA 1.376 12 residues pruned to eliminate duplicates Z: 14 16.323 1.828 0.435 0.872 0.923 0.692 CA 1.363 14 residues pruned to eliminate duplicates Z: 7 4.470 1.616 0.331 0.720 1.000 0.667 CB 0.695 Z: 32 21.339 1.792 0.440 0.729 1.000 0.742 CA 1.209 29 residues pruned to eliminate duplicates Z: 23 18.417 1.716 0.491 0.876 0.955 0.636 CB 1.168 23 residues pruned to eliminate duplicates Z: 11 13.098 1.757 0.487 0.822 0.900 0.800 CA 1.333 11 residues pruned to eliminate duplicates Z: 21 10.556 1.852 0.382 0.333 0.850 0.350 CB 1.302 27 residues pruned to eliminate duplicates Z: 14 8.751 1.713 0.559 0.485 0.769 0.462 CA 1.200 14 residues pruned to eliminate duplicates Z: 42 25.551 1.981 0.675 0.511 0.878 0.488 CB 1.355 42 residues pruned to eliminate duplicates Z: 12 14.048 2.019 0.238 0.818 0.909 0.909 CA 1.414 12 residues pruned to eliminate duplicates Z: 21 19.733 2.108 0.598 0.412 0.900 0.400 CB 1.596 23 residues pruned to eliminate duplicates Z: 8 9.824 1.784 0.587 0.626 0.857 0.571 CB 1.358 8 residues pruned to eliminate duplicates Z: 23 31.327 2.061 0.827 0.826 0.909 0.682 CA 1.471 23 residues pruned to eliminate duplicates Z: 8 5.846 1.623 0.318 0.497 0.857 0.714 CB 1.209 8 residues pruned to eliminate duplicates Z: 11 16.183 1.807 0.617 0.886 1.000 0.800 CA 1.263 11 residues pruned to eliminate duplicates Z: 33 18.569 1.892 0.383 0.527 0.875 0.562 CA 1.395 33 residues pruned to eliminate duplicates Z: 7 2.223 1.515 0.225 0.381 0.667 0.333 CB 0.832 Z: 12 17.607 1.782 1.129 0.927 1.000 0.727 CB 0.980 11 residues pruned to eliminate duplicates Z: 13 15.805 1.984 0.499 0.843 1.000 0.917 CA 1.142 13 residues pruned to eliminate duplicates Z: 13 10.329 1.833 0.543 0.355 0.917 0.500 CA 1.346 Z: 6 5.235 1.665 0.186 0.527 0.800 0.800 CA 1.443 6 residues pruned to eliminate duplicates Z: 41 28.483 1.984 0.633 0.516 0.925 0.625 CA 1.479 41 residues pruned to eliminate duplicates Z: 6 3.345 1.536 0.823 0.432 0.600 0.400 CA 0.956 7 residues pruned to eliminate duplicates Z: 42 35.225 2.067 0.918 0.537 0.951 0.439 CB 1.406 42 residues pruned to eliminate duplicates Z: 8 4.342 1.231 0.436 0.788 1.000 0.571 CA 0.721 8 residues pruned to eliminate duplicates Z: 18 16.427 1.920 0.792 0.635 0.882 0.647 CB 1.157 18 residues pruned to eliminate duplicates Z: 9 4.090 1.703 0.092 0.501 1.000 0.875 CB 0.777 Z: 11 5.207 1.655 0.031 0.493 0.800 0.400 CB 1.214 10 residues pruned to eliminate duplicates Z: 42 32.349 1.957 0.878 0.493 0.927 0.585 CB 1.494 42 residues pruned to eliminate duplicates Z: 8 6.178 1.705 0.409 0.710 0.714 0.571 CB 1.124 8 residues pruned to eliminate duplicates Z: 6 5.449 1.585 0.440 0.578 1.000 0.800 CB 0.991 Z: 6 8.244 1.761 0.381 0.718 1.000 0.800 CA 1.245 5 residues pruned to eliminate duplicates Z: 38 24.597 1.995 0.647 0.549 0.919 0.622 CB 1.277 38 residues pruned to eliminate duplicates Z: 27 15.577 1.977 0.453 0.436 0.885 0.769 CA 1.284 44 residues pruned to eliminate duplicates Z: 28 18.429 1.901 0.594 0.435 0.926 0.667 CA 1.352 28 residues pruned to eliminate duplicates Z: 10 5.641 1.583 0.493 0.568 1.000 0.889 CB 0.745 Z: 9 8.099 1.477 0.849 0.762 0.875 0.500 CB 0.950 9 residues pruned to eliminate duplicates Z: 20 24.414 2.076 0.441 0.938 1.000 1.000 CA 1.302 20 residues pruned to eliminate duplicates Z: 40 26.274 1.891 0.597 0.605 0.949 0.590 CB 1.330 41 residues pruned to eliminate duplicates Z: 13 16.541 1.706 0.682 0.867 1.000 0.750 CA 1.217 13 residues pruned to eliminate duplicates Z: 33 22.460 1.925 0.591 0.493 0.906 0.656 CA 1.440 33 residues pruned to eliminate duplicates Z: 6 2.017 1.714 0.386 0.487 0.600 0.400 CB 0.641 Z: 32 23.079 1.982 0.685 0.481 0.903 0.548 CB 1.400 27 residues pruned to eliminate duplicates Z: 16 13.225 1.770 0.736 0.494 0.867 0.600 CB 1.290 16 residues pruned to eliminate duplicates Z: 35 25.867 2.004 0.571 0.579 0.912 0.559 CA 1.432 35 residues pruned to eliminate duplicates Z: 40 21.791 1.935 0.639 0.459 0.923 0.718 CB 1.243 40 residues pruned to eliminate duplicates Z: 24 25.952 1.957 0.691 0.856 0.870 0.609 CB 1.386 24 residues pruned to eliminate duplicates Z: 23 29.334 2.005 0.645 0.863 1.000 0.864 CA 1.391 23 residues pruned to eliminate duplicates Z: 12 12.674 1.618 0.286 0.908 1.000 1.000 CA 1.305 12 residues pruned to eliminate duplicates Z: 10 10.927 1.702 0.439 0.775 0.889 0.778 CB 1.313 12 residues pruned to eliminate duplicates Z: 7 8.149 1.559 0.841 0.441 1.000 0.333 CA 1.232 17 residues pruned to eliminate duplicates Z: 19 7.739 1.760 0.410 0.282 0.778 0.444 CB 1.209 11 residues pruned to eliminate duplicates Z: 41 22.577 1.907 0.727 0.490 0.825 0.550 CB 1.327 41 residues pruned to eliminate duplicates Z: 35 23.022 1.952 0.672 0.463 0.912 0.765 CB 1.378 35 residues pruned to eliminate duplicates Z: 14 20.520 1.891 0.764 0.723 1.000 0.538 CB 1.395 18 residues pruned to eliminate duplicates Z: 20 9.938 1.730 0.554 0.420 0.789 0.579 CB 1.168 31 residues pruned to eliminate duplicates Z: 36 20.875 1.884 0.736 0.494 0.886 0.514 CB 1.226 34 residues pruned to eliminate duplicates Z: 23 26.947 2.037 0.670 0.810 0.955 0.727 CA 1.350 23 residues pruned to eliminate duplicates Z: 22 15.071 1.845 0.718 0.646 0.857 0.714 CB 1.056 13 residues pruned to eliminate duplicates Z: 42 39.566 2.129 0.922 0.513 0.951 0.585 CB 1.566 42 residues pruned to eliminate duplicates Z: 21 21.576 2.024 0.339 0.881 1.000 0.850 CA 1.288 21 residues pruned to eliminate duplicates Z: 15 12.845 1.938 0.419 0.568 0.857 0.643 CB 1.364 15 residues pruned to eliminate duplicates Z: 19 28.219 1.959 0.884 0.908 1.000 0.722 CB 1.280 19 residues pruned to eliminate duplicates Z: 31 23.040 1.950 0.689 0.536 0.900 0.633 CB 1.369 31 residues pruned to eliminate duplicates Z: 34 26.722 2.040 0.888 0.416 0.909 0.394 CB 1.451 34 residues pruned to eliminate duplicates Z: 20 7.921 1.728 0.485 0.324 0.895 0.368 CB 0.961 20 residues pruned to eliminate duplicates Z: 27 15.859 1.775 0.758 0.413 0.846 0.577 CB 1.290 26 residues pruned to eliminate duplicates Z: 22 26.677 2.003 0.604 0.820 1.000 0.810 CA 1.373 22 residues pruned to eliminate duplicates Z: 8 12.061 1.845 0.569 0.700 1.000 0.857 CB 1.312 7 residues pruned to eliminate duplicates Z: 21 13.451 1.935 0.496 0.419 0.850 0.650 CB 1.330 21 residues pruned to eliminate duplicates Z: 43 32.325 2.065 0.685 0.529 0.929 0.476 CB 1.501 43 residues pruned to eliminate duplicates Z: 31 20.899 1.956 0.616 0.404 0.933 0.433 CA 1.431 31 residues pruned to eliminate duplicates Z: 6 2.450 1.791 -0.161 0.296 0.600 0.600 N 1.527 Z: 13 13.173 1.780 0.833 0.833 0.833 0.417 CB 1.049 13 residues pruned to eliminate duplicates Z: 10 9.395 1.718 0.495 0.571 1.000 0.667 CA 1.138 10 residues pruned to eliminate duplicates Z: 17 14.355 1.842 0.861 0.405 0.938 0.500 CB 1.233 17 residues pruned to eliminate duplicates Z: 9 5.045 1.559 0.324 0.519 0.750 0.625 N 1.130 9 residues pruned to eliminate duplicates Z: 21 7.230 1.603 0.573 0.236 0.750 0.400 CB 1.162 21 residues pruned to eliminate duplicates Z: 26 12.064 1.857 0.625 0.424 0.800 0.600 CB 1.082 26 residues pruned to eliminate duplicates Z: 8 9.526 1.700 0.593 0.847 1.000 0.714 CA 0.987 8 residues pruned to eliminate duplicates Z: 18 13.150 1.929 1.006 0.360 0.765 0.471 CB 1.253 18 residues pruned to eliminate duplicates Z: 10 10.181 1.710 0.883 0.391 0.889 0.333 CA 1.330 9 residues pruned to eliminate duplicates Z: 8 13.501 1.725 0.883 0.877 1.000 1.000 CA 1.140 8 residues pruned to eliminate duplicates Z: 8 9.110 1.835 0.330 0.704 1.000 0.857 CB 1.172 8 residues pruned to eliminate duplicates Z: 23 28.019 1.991 0.714 0.844 1.000 0.682 CA 1.303 23 residues pruned to eliminate duplicates Z: 8 8.849 1.636 0.378 0.813 1.000 0.857 CA 1.130 8 residues pruned to eliminate duplicates Z: 30 19.169 1.945 0.620 0.436 0.897 0.517 CA 1.346 30 residues pruned to eliminate duplicates Z: 7 7.087 1.604 0.558 0.746 0.833 0.667 CB 1.115 7 residues pruned to eliminate duplicates 7 1.714 1.403 0.422 0.469 0.833 0.667 CB 0.435 ? Z: 67 40.355 1.994 0.764 0.525 0.924 0.545 CB 1.491 62 residues pruned to eliminate duplicates Z: 14 20.146 1.911 0.671 0.812 0.923 0.769 CB 1.444 14 residues pruned to eliminate duplicates Z: 19 10.243 1.839 0.764 0.273 0.667 0.278 CB 1.444 19 residues pruned to eliminate duplicates Z: 10 7.779 1.869 0.366 0.508 0.778 0.556 CB 1.295 10 residues pruned to eliminate duplicates Z: 15 16.117 1.803 0.593 0.853 1.000 0.714 CB 1.108 15 residues pruned to eliminate duplicates Z: 31 19.995 2.034 0.557 0.473 0.833 0.533 CB 1.422 31 residues pruned to eliminate duplicates Z: 7 2.925 1.543 0.134 0.239 0.833 0.500 CA 1.108 6 residues pruned to eliminate duplicates Z: 6 10.586 1.816 0.659 0.819 1.000 0.400 CA 1.192 6 residues pruned to eliminate duplicates Z: 8 5.126 1.569 0.534 0.868 0.857 0.714 CB 0.686 8 residues pruned to eliminate duplicates Z: 9 3.219 1.397 0.490 0.178 0.750 0.500 CA 1.076 Z: 41 25.418 1.894 0.491 0.658 0.900 0.725 CA 1.365 41 residues pruned to eliminate duplicates Z: 7 6.289 1.649 0.261 0.676 0.833 0.833 CA 1.260 Z: 43 23.908 1.897 0.517 0.517 0.929 0.548 CB 1.357 42 residues pruned to eliminate duplicates Z: 25 17.389 1.798 0.587 0.544 0.917 0.458 CB 1.299 29 residues pruned to eliminate duplicates Z: 37 19.240 1.874 0.575 0.457 0.917 0.639 CB 1.239 45 residues pruned to eliminate duplicates Z: 31 27.452 1.952 0.678 0.710 1.000 0.733 CB 1.265 29 residues pruned to eliminate duplicates Z: 14 10.005 1.702 0.482 0.570 0.923 0.385 CB 1.115 14 residues pruned to eliminate duplicates Z: 15 7.670 1.626 0.492 0.513 0.786 0.429 CB 1.062 15 residues pruned to eliminate duplicates Z: 7 10.502 1.704 0.756 0.793 1.000 0.833 CA 1.108 10 residues pruned to eliminate duplicates Z: 20 13.940 1.785 0.631 0.661 0.842 0.474 CB 1.124 20 residues pruned to eliminate duplicates Z: 11 4.168 1.556 0.265 0.289 0.800 0.400 N 1.061 Z: 7 9.367 1.906 0.271 0.895 1.000 0.833 CB 1.132 7 residues pruned to eliminate duplicates Z: 12 11.394 1.916 0.689 0.524 0.818 0.364 N 1.267 12 residues pruned to eliminate duplicates Z: 23 21.399 1.946 0.702 0.729 0.818 0.727 CB 1.370 23 residues pruned to eliminate duplicates Z: 23 33.871 1.982 0.740 0.880 1.000 0.727 CB 1.518 23 residues pruned to eliminate duplicates Z: 17 9.791 1.776 0.705 0.337 0.750 0.438 CA 1.286 17 residues pruned to eliminate duplicates Z: 23 29.228 2.055 0.602 0.842 1.000 0.682 CA 1.411 23 residues pruned to eliminate duplicates Z: 22 27.635 2.065 0.558 0.926 0.952 0.857 CA 1.380 22 residues pruned to eliminate duplicates Z: 7 3.608 1.454 0.134 0.546 0.833 0.667 CB 1.025 7 residues pruned to eliminate duplicates Z: 20 17.630 1.914 0.557 0.616 0.947 0.789 CA 1.284 20 residues pruned to eliminate duplicates Z: 13 14.434 1.692 0.856 0.854 1.000 0.750 CB 0.980 13 residues pruned to eliminate duplicates Z: 10 12.615 1.558 0.882 0.849 1.000 0.667 CB 1.063 12 residues pruned to eliminate duplicates Z: 23 30.750 2.016 0.654 0.896 1.000 0.727 CA 1.408 22 residues pruned to eliminate duplicates Z: 12 8.632 1.819 0.845 0.653 0.727 0.455 CB 0.924 12 residues pruned to eliminate duplicates Z: 33 24.447 2.034 0.741 0.462 0.938 0.531 CB 1.353 33 residues pruned to eliminate duplicates Z: 14 11.873 1.728 0.558 0.577 0.923 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 12 15.551 1.750 0.337 0.866 1.000 0.545 CB 1.467 12 residues pruned to eliminate duplicates Z: 7 4.057 1.159 0.620 0.599 1.000 0.667 N 0.803 5 residues pruned to eliminate duplicates Z: 15 22.330 1.804 0.883 0.812 1.000 0.714 CA 1.339 15 residues pruned to eliminate duplicates Z: 11 3.645 1.486 0.348 0.432 0.800 0.300 CB 0.771 Z: 7 7.271 1.545 0.533 0.835 0.833 0.667 CA 1.127 7 residues pruned to eliminate duplicates Z: 6 2.796 1.734 0.173 0.413 0.800 0.600 CB 0.842 Z: 31 28.652 2.001 0.701 0.663 0.967 0.567 CB 1.368 30 residues pruned to eliminate duplicates Z: 42 39.224 2.146 0.809 0.492 1.000 0.463 CA 1.591 42 residues pruned to eliminate duplicates Z: 8 2.746 1.462 0.050 0.469 0.714 0.571 O 0.977 6 -0.363 1.492 1.058 0.874 1.000 1.000 CB-0.038 ? Z: 6 2.748 1.267 0.178 0.479 0.800 0.600 O 1.052 Z: 13 7.350 1.728 0.610 0.304 0.833 0.333 CA 1.139 13 residues pruned to eliminate duplicates Z: 32 33.958 2.120 0.799 0.596 0.935 0.645 CA 1.560 32 residues pruned to eliminate duplicates 6 1.401 1.489 0.610 0.287 0.800 0.800 CB 0.415 ? Z: 50 28.768 1.904 0.726 0.607 0.857 0.490 CB 1.318 56 residues pruned to eliminate duplicates Z: 21 16.888 2.118 0.810 0.250 0.850 0.350 CB 1.545 21 residues pruned to eliminate duplicates Z: 8 2.504 1.663 0.040 0.328 0.714 0.286 CB 0.926 Z: 9 6.059 1.577 0.880 0.276 0.875 0.500 CB 1.064 Z: 33 22.629 1.991 0.633 0.482 0.906 0.625 CB 1.382 33 residues pruned to eliminate duplicates Z: 23 25.215 1.925 0.598 0.890 1.000 0.727 CB 1.257 23 residues pruned to eliminate duplicates Z: 9 3.986 1.776 0.443 0.879 0.875 0.625 CB 0.456 Z: 20 12.329 1.800 0.610 0.438 0.895 0.632 CB 1.163 20 residues pruned to eliminate duplicates Z: 12 22.451 1.970 0.954 0.880 1.000 0.909 CB 1.275 12 residues pruned to eliminate duplicates Z: 13 15.020 1.888 0.607 0.812 0.917 0.750 CA 1.188 13 residues pruned to eliminate duplicates Z: 16 11.665 1.773 0.537 0.453 0.933 0.467 CB 1.242 15 residues pruned to eliminate duplicates Z: 23 28.277 1.998 0.458 0.877 1.000 0.773 CA 1.504 25 residues pruned to eliminate duplicates Z: 11 18.933 1.950 0.679 0.923 1.000 0.600 CB 1.285 11 residues pruned to eliminate duplicates Z: 30 16.949 1.968 0.476 0.453 0.862 0.655 CB 1.318 30 residues pruned to eliminate duplicates Z: 42 21.613 1.867 0.434 0.599 0.854 0.610 CB 1.344 42 residues pruned to eliminate duplicates Z: 16 12.054 1.768 0.589 0.659 0.800 0.533 CB 1.194 16 residues pruned to eliminate duplicates Z: 8 5.438 1.429 0.285 0.768 0.857 0.714 CA 1.030 8 residues pruned to eliminate duplicates Z: 8 3.567 1.495 0.257 0.340 0.714 0.571 CA 1.194 8 residues pruned to eliminate duplicates Z: 13 19.793 1.982 0.885 0.817 0.917 0.750 CB 1.267 13 residues pruned to eliminate duplicates Z: 26 18.434 1.856 0.758 0.551 0.840 0.680 CB 1.280 26 residues pruned to eliminate duplicates Z: 14 22.479 1.970 0.744 0.861 1.000 0.846 CA 1.333 14 residues pruned to eliminate duplicates Z: 12 8.457 1.583 -0.034 0.820 1.000 0.727 CA 1.263 11 residues pruned to eliminate duplicates Z: 14 12.514 1.658 0.912 0.521 0.846 0.615 CB 1.267 Z: 8 4.823 1.525 0.670 0.547 0.857 0.571 CB 0.798 7 residues pruned to eliminate duplicates Z: 30 28.945 2.021 0.682 0.616 0.931 0.690 CA 1.522 30 residues pruned to eliminate duplicates Z: 13 11.137 1.573 0.229 0.861 1.000 0.917 CA 1.222 11 residues pruned to eliminate duplicates Z: 12 7.399 1.710 0.715 0.399 0.818 0.545 CB 1.035 Z: 23 29.085 1.980 0.900 0.866 0.955 0.636 CB 1.264 23 residues pruned to eliminate duplicates Z: 36 20.710 1.838 0.506 0.533 0.943 0.629 CB 1.299 36 residues pruned to eliminate duplicates Z: 37 25.730 2.023 0.884 0.452 0.861 0.528 CB 1.373 37 residues pruned to eliminate duplicates Z: 41 19.538 1.880 0.683 0.385 0.850 0.425 CB 1.297 41 residues pruned to eliminate duplicates Z: 24 22.617 2.006 0.514 0.601 0.913 0.652 CB 1.544 24 residues pruned to eliminate duplicates Z: 6 8.721 1.678 0.570 0.643 1.000 1.000 CB 1.295 Z: 24 15.110 1.803 0.511 0.571 0.870 0.565 CB 1.241 24 residues pruned to eliminate duplicates Z: 13 30.346 2.085 1.336 0.899 1.000 0.833 CA 1.285 13 residues pruned to eliminate duplicates Z: 13 14.005 1.966 0.234 0.805 1.000 0.833 CA 1.276 13 residues pruned to eliminate duplicates Z: 12 8.310 1.792 0.262 0.444 0.909 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 12 4.886 1.506 0.224 0.350 0.909 0.455 CB 1.033 Z: 23 28.268 1.935 0.664 0.864 0.909 0.727 CA 1.509 23 residues pruned to eliminate duplicates Z: 17 11.299 1.713 0.372 0.607 0.938 0.438 CB 1.158 17 residues pruned to eliminate duplicates Z: 24 29.943 2.036 0.652 0.874 1.000 0.826 CA 1.351 24 residues pruned to eliminate duplicates Z: 21 15.908 1.886 0.767 0.447 0.900 0.450 CB 1.253 21 residues pruned to eliminate duplicates 6 1.635 1.131 0.008 0.546 1.000 0.400 CB 0.613 ? Z: 39 23.561 1.921 0.581 0.574 0.921 0.658 CA 1.272 39 residues pruned to eliminate duplicates Z: 13 5.031 1.605 0.366 0.201 0.917 0.333 CB 1.031 13 residues pruned to eliminate duplicates Z: 31 24.700 1.891 0.452 0.648 1.000 0.700 CB 1.430 31 residues pruned to eliminate duplicates Z: 14 11.949 1.484 0.670 0.875 1.000 0.692 N 0.973 14 residues pruned to eliminate duplicates Z: 38 23.354 1.971 0.608 0.571 0.865 0.622 CB 1.309 38 residues pruned to eliminate duplicates Z: 9 6.205 1.590 0.495 0.393 0.750 0.750 CA 1.378 Z: 27 28.610 2.025 0.987 0.591 0.885 0.654 CB 1.445 27 residues pruned to eliminate duplicates Z: 11 2.510 1.678 0.156 0.324 0.700 0.400 CB 0.709 11 residues pruned to eliminate duplicates Z: 7 2.105 1.453 0.311 0.239 0.667 0.333 CA 0.915 Z: 10 11.238 1.770 0.460 0.841 1.000 0.667 CB 1.081 10 residues pruned to eliminate duplicates Z: 33 30.861 2.056 0.884 0.693 0.906 0.562 CB 1.303 33 residues pruned to eliminate duplicates Z: 16 10.090 1.738 0.324 0.577 0.733 0.467 CA 1.433 22 residues pruned to eliminate duplicates Z: 18 8.982 1.794 0.322 0.436 0.941 0.588 CB 1.042 18 residues pruned to eliminate duplicates Z: 42 20.505 1.799 0.510 0.510 0.878 0.659 CB 1.329 42 residues pruned to eliminate duplicates Z: 8 4.507 1.415 0.755 0.432 0.714 0.286 CB 1.031 Z: 6 3.143 1.400 0.498 0.435 0.800 0.400 CB 0.896 Z: 7 2.794 1.709 -0.429 0.477 1.000 0.667 CB 1.197 Z: 8 10.803 1.670 0.731 0.878 1.000 0.857 CA 1.025 8 residues pruned to eliminate duplicates Z: 12 23.259 1.918 1.049 0.861 1.000 0.818 CA 1.311 12 residues pruned to eliminate duplicates Z: 12 12.700 1.621 0.497 0.804 1.000 0.727 CB 1.210 12 residues pruned to eliminate duplicates Z: 7 3.405 1.619 0.500 0.703 0.833 0.833 CB 0.571 Z: 22 8.648 1.714 0.412 0.255 0.810 0.476 CB 1.276 22 residues pruned to eliminate duplicates Z: 23 25.455 1.877 0.609 0.858 0.955 0.591 CB 1.386 23 residues pruned to eliminate duplicates Z: 30 15.335 1.871 0.510 0.522 0.897 0.414 CB 1.100 30 residues pruned to eliminate duplicates Z: 23 15.984 1.736 0.415 0.883 0.864 0.773 CB 1.162 23 residues pruned to eliminate duplicates Z: 41 22.272 1.924 0.592 0.465 0.875 0.525 CB 1.362 41 residues pruned to eliminate duplicates Z: 10 10.161 1.899 0.583 0.564 0.889 0.778 CB 1.191 10 residues pruned to eliminate duplicates Z: 24 12.647 1.861 0.540 0.418 0.913 0.565 CB 1.097 24 residues pruned to eliminate duplicates Z: 10 14.011 1.857 0.418 0.831 1.000 0.444 CB 1.332 10 residues pruned to eliminate duplicates Z: 14 16.474 1.636 0.943 0.823 0.846 0.462 CB 1.284 14 residues pruned to eliminate duplicates Z: 56 30.274 2.014 0.570 0.514 0.927 0.564 CA 1.373 57 residues pruned to eliminate duplicates Z: 23 7.110 1.761 0.617 0.336 0.773 0.409 CB 0.824 23 residues pruned to eliminate duplicates Z: 9 3.368 1.453 0.790 0.211 0.750 0.500 CB 0.859 9 residues pruned to eliminate duplicates Z: 11 7.802 1.864 0.387 0.747 0.700 0.600 CA 1.093 11 residues pruned to eliminate duplicates Z: 8 9.059 1.818 0.347 0.769 0.857 0.714 CB 1.285 8 residues pruned to eliminate duplicates Z: 20 20.610 2.006 0.311 0.865 1.000 0.895 CB 1.317 20 residues pruned to eliminate duplicates Z: 6 6.500 1.729 0.941 0.466 0.800 0.800 CB 1.121 Z: 6 3.550 1.550 0.404 0.310 0.800 0.400 CB 1.126 Z: 7 6.845 1.351 0.961 0.433 1.000 0.667 CA 1.131 Z: 23 31.707 2.076 0.808 0.864 0.909 0.636 CB 1.453 23 residues pruned to eliminate duplicates Z: 19 9.769 1.798 0.488 0.394 0.722 0.722 CA 1.332 19 residues pruned to eliminate duplicates Z: 9 3.936 1.766 0.128 0.361 0.875 0.375 CB 0.927 9 residues pruned to eliminate duplicates Z: 12 14.642 1.677 1.001 0.814 1.000 0.727 CA 1.001 12 residues pruned to eliminate duplicates Z: 42 34.302 1.969 0.855 0.556 0.976 0.488 CB 1.423 43 residues pruned to eliminate duplicates Z: 13 15.642 1.929 0.379 0.877 1.000 0.917 CB 1.232 13 residues pruned to eliminate duplicates Z: 9 6.385 1.613 0.532 0.413 0.875 0.625 CA 1.143 9 residues pruned to eliminate duplicates Z: 13 21.954 2.050 0.614 0.857 1.000 0.667 CA 1.411 13 residues pruned to eliminate duplicates Z: 34 15.901 1.810 0.529 0.389 0.909 0.545 CB 1.238 34 residues pruned to eliminate duplicates Z: 7 3.213 1.458 0.466 0.344 0.667 0.500 CA 1.091 Z: 6 4.147 1.444 0.073 0.644 1.000 0.800 N 1.046 Z: 12 5.801 1.417 0.926 0.310 0.818 0.455 CA 0.967 Z: 15 11.861 1.750 0.519 0.690 0.929 0.643 CB 1.079 15 residues pruned to eliminate duplicates Z: 85 45.212 1.969 0.816 0.574 0.952 0.571 CB 1.349 67 residues pruned to eliminate duplicates Z: 8 9.497 1.711 0.539 0.884 1.000 0.714 CA 0.985 8 residues pruned to eliminate duplicates Z: 23 29.101 1.932 0.690 0.886 0.909 0.636 CB 1.508 23 residues pruned to eliminate duplicates 6 1.556 1.333 -0.138 0.300 0.800 0.600 CB 0.947 ? Z: 40 27.169 1.986 0.636 0.603 0.923 0.692 CB 1.315 40 residues pruned to eliminate duplicates Z: 33 21.846 1.919 0.845 0.533 0.844 0.625 CB 1.251 33 residues pruned to eliminate duplicates Z: 16 9.631 1.775 0.507 0.264 0.933 0.600 CA 1.304 18 residues pruned to eliminate duplicates Z: 16 5.118 1.448 1.000 0.334 0.533 0.267 CB 1.025 16 residues pruned to eliminate duplicates Z: 18 22.300 1.969 0.562 0.926 1.000 0.882 CA 1.233 18 residues pruned to eliminate duplicates Z: 16 9.728 1.796 0.449 0.344 0.867 0.467 CB 1.320 17 residues pruned to eliminate duplicates Z: 33 26.027 2.030 0.675 0.589 0.906 0.594 CA 1.370 33 residues pruned to eliminate duplicates Z: 26 15.060 1.852 0.554 0.488 0.880 0.480 CB 1.203 34 residues pruned to eliminate duplicates Z: 14 12.016 1.729 0.327 0.805 1.000 0.846 CB 1.113 14 residues pruned to eliminate duplicates Z: 41 35.341 2.105 0.911 0.512 0.925 0.550 CB 1.484 41 residues pruned to eliminate duplicates Z: 14 9.276 1.470 0.426 0.790 0.923 0.538 CB 1.030 13 residues pruned to eliminate duplicates Z: 6 3.281 1.681 0.073 0.264 0.800 0.600 CA 1.331 6 residues pruned to eliminate duplicates Z: 42 32.496 2.109 0.704 0.531 0.878 0.585 CB 1.560 42 residues pruned to eliminate duplicates Z: 41 30.940 2.110 0.758 0.552 0.900 0.500 CB 1.393 41 residues pruned to eliminate duplicates Z: 25 21.019 2.050 0.440 0.586 1.000 0.750 CB 1.338 25 residues pruned to eliminate duplicates Z: 19 8.418 1.731 0.633 0.241 0.833 0.500 CB 1.137 20 residues pruned to eliminate duplicates Z: 42 37.611 2.091 0.934 0.517 0.951 0.585 CB 1.501 42 residues pruned to eliminate duplicates Z: 16 15.578 1.922 0.508 0.545 0.933 0.800 CB 1.422 16 residues pruned to eliminate duplicates Z: 34 26.274 1.976 0.721 0.520 0.909 0.606 CB 1.451 35 residues pruned to eliminate duplicates Z: 43 36.148 2.067 0.909 0.529 0.905 0.548 CB 1.519 43 residues pruned to eliminate duplicates Z: 8 10.969 1.795 0.521 0.865 1.000 0.857 CB 1.112 8 residues pruned to eliminate duplicates Z: 22 13.902 1.806 0.465 0.510 0.810 0.524 CB 1.402 22 residues pruned to eliminate duplicates Z: 24 28.325 2.062 0.657 0.855 0.957 0.826 CA 1.334 24 residues pruned to eliminate duplicates Z: 43 27.695 1.962 0.751 0.490 0.881 0.619 CA 1.426 44 residues pruned to eliminate duplicates Z: 12 15.390 1.739 0.770 0.904 1.000 0.727 CB 1.074 9 residues pruned to eliminate duplicates Z: 8 10.054 1.712 0.562 0.757 0.857 0.429 CA 1.319 8 residues pruned to eliminate duplicates Z: 36 19.301 1.885 0.767 0.500 0.886 0.571 CB 1.106 36 residues pruned to eliminate duplicates Z: 8 12.193 1.721 0.607 0.887 1.000 0.571 CB 1.201 8 residues pruned to eliminate duplicates Z: 11 25.141 2.026 1.212 0.925 1.000 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 11 14.706 1.720 0.576 0.892 0.900 0.500 N 1.370 12 residues pruned to eliminate duplicates Z: 9 4.724 1.684 -0.063 0.467 0.875 0.750 N 1.251 7 residues pruned to eliminate duplicates Z: 7 3.799 1.667 -0.067 0.311 1.000 0.667 CA 1.229 7 residues pruned to eliminate duplicates Z: 11 9.752 1.663 0.529 0.899 1.000 0.900 CB 0.867 11 residues pruned to eliminate duplicates Z: 8 8.122 1.748 0.615 0.640 0.714 0.571 O 1.336 8 residues pruned to eliminate duplicates Z: 7 10.024 1.568 0.723 0.882 1.000 0.667 CB 1.096 7 residues pruned to eliminate duplicates Z: 44 15.588 1.780 0.487 0.326 0.814 0.349 CB 1.336 35 residues pruned to eliminate duplicates Z: 31 18.743 1.880 0.755 0.492 0.867 0.333 CB 1.206 31 residues pruned to eliminate duplicates Z: 8 2.682 1.507 0.346 0.326 0.714 0.571 N 0.847 Z: 6 3.180 1.487 0.316 0.514 0.800 0.400 CB 0.896 Z: 36 22.147 1.940 0.755 0.589 0.886 0.571 CB 1.140 40 residues pruned to eliminate duplicates Z: 17 14.804 1.839 0.777 0.485 0.875 0.500 CB 1.314 17 residues pruned to eliminate duplicates Z: 6 6.367 1.704 0.326 0.715 0.800 0.800 CB 1.296 4 residues pruned to eliminate duplicates Z: 45 16.365 1.779 0.517 0.445 0.773 0.523 CB 1.251 45 residues pruned to eliminate duplicates Z: 18 7.736 1.580 0.421 0.400 0.882 0.706 CB 1.052 18 residues pruned to eliminate duplicates Z: 19 11.877 1.787 0.459 0.495 0.944 0.500 CB 1.142 19 residues pruned to eliminate duplicates Z: 23 11.388 1.887 0.393 0.275 0.909 0.500 CA 1.310 23 residues pruned to eliminate duplicates Z: 14 26.715 1.958 0.788 0.879 1.000 0.692 CA 1.535 14 residues pruned to eliminate duplicates Z: 14 6.889 1.474 0.848 0.444 0.769 0.462 CB 0.966 13 residues pruned to eliminate duplicates Z: 42 19.354 1.841 0.386 0.542 0.854 0.634 CB 1.331 42 residues pruned to eliminate duplicates Z: 22 34.603 2.041 0.952 0.855 0.952 0.571 CA 1.469 22 residues pruned to eliminate duplicates Z: 6 4.412 1.641 0.383 0.764 0.600 0.600 CB 1.146 6 residues pruned to eliminate duplicates Z: 22 16.807 1.764 0.477 0.812 0.905 0.667 CB 1.186 22 residues pruned to eliminate duplicates Z: 14 7.823 1.736 0.784 0.293 0.846 0.385 CB 1.045 14 residues pruned to eliminate duplicates Z: 37 22.894 1.947 0.709 0.411 0.917 0.611 CB 1.373 37 residues pruned to eliminate duplicates Z: 28 17.407 1.916 0.579 0.451 0.852 0.481 CB 1.368 28 residues pruned to eliminate duplicates Z: 7 9.300 1.707 0.735 0.832 0.833 0.833 CA 1.155 7 residues pruned to eliminate duplicates Z: 9 3.228 1.497 0.164 0.277 0.750 0.375 N 1.124 Z: 6 5.606 1.918 0.521 0.878 1.000 1.000 CB 0.624 6 residues pruned to eliminate duplicates Z: 22 9.951 1.749 0.516 0.360 0.762 0.429 CB 1.250 Z: 35 19.868 1.868 0.348 0.620 0.912 0.676 CA 1.325 35 residues pruned to eliminate duplicates Z: 6 2.396 1.473 0.506 0.477 0.800 0.600 CB 0.618 Z: 7 3.728 1.585 0.490 0.598 1.000 0.667 CB 0.587 7 residues pruned to eliminate duplicates Z: 8 7.268 1.774 0.417 0.586 1.000 0.857 CB 1.006 8 residues pruned to eliminate duplicates Z: 31 15.700 1.928 0.583 0.512 0.900 0.633 CB 1.031 31 residues pruned to eliminate duplicates Z: 28 28.287 2.015 0.827 0.595 0.926 0.667 CB 1.459 28 residues pruned to eliminate duplicates Z: 14 14.667 1.739 0.435 0.754 0.923 0.538 CB 1.409 14 residues pruned to eliminate duplicates Z: 6 2.710 1.459 0.405 0.426 0.800 0.400 CB 0.798 Z: 6 4.249 1.620 1.034 0.479 0.600 0.600 N 0.982 6 residues pruned to eliminate duplicates Z: 7 5.708 1.518 0.255 0.743 1.000 0.667 CA 0.984 7 residues pruned to eliminate duplicates Z: 22 34.785 2.063 0.792 0.899 1.000 0.476 CA 1.468 22 residues pruned to eliminate duplicates Z: 6 6.105 1.348 1.222 0.756 1.000 0.800 N 0.726 6 residues pruned to eliminate duplicates Z: 6 4.376 1.777 -0.045 0.818 0.800 0.600 CA 1.094 5 residues pruned to eliminate duplicates Z: 23 18.941 1.751 0.512 0.850 1.000 0.727 CB 1.130 23 residues pruned to eliminate duplicates Z: 10 13.107 1.819 0.449 0.907 1.000 1.000 CA 1.178 10 residues pruned to eliminate duplicates Z: 12 22.585 2.040 0.766 0.828 1.000 0.727 CB 1.423 12 residues pruned to eliminate duplicates Z: 52 29.143 2.006 0.604 0.548 0.882 0.588 CB 1.371 52 residues pruned to eliminate duplicates Z: 54 25.250 1.900 0.676 0.536 0.925 0.547 CB 1.138 53 residues pruned to eliminate duplicates Z: 6 9.385 1.717 1.070 0.486 1.000 0.600 CB 1.197 6 residues pruned to eliminate duplicates Z: 15 20.468 1.868 0.791 0.793 0.929 0.714 CB 1.362 15 residues pruned to eliminate duplicates Z: 6 2.532 1.413 0.169 0.682 0.800 0.800 CB 0.725 6 1.451 1.256 0.165 0.398 0.600 0.400 CB 0.823 ? Z: 14 8.771 1.654 0.375 0.521 0.846 0.769 CB 1.238 20 residues pruned to eliminate duplicates Z: 9 8.481 1.885 0.192 0.728 0.875 0.875 CB 1.242 9 residues pruned to eliminate duplicates Z: 13 23.642 1.933 0.774 0.927 1.000 0.917 CA 1.395 13 residues pruned to eliminate duplicates Z: 12 12.333 1.560 0.568 0.861 1.000 0.636 N 1.117 12 residues pruned to eliminate duplicates Z: 12 10.642 1.648 0.359 0.799 0.909 0.727 CA 1.213 12 residues pruned to eliminate duplicates Z: 22 26.176 2.047 0.567 0.876 1.000 0.857 CA 1.294 22 residues pruned to eliminate duplicates Z: 40 35.904 2.062 0.954 0.512 0.949 0.487 CB 1.487 40 residues pruned to eliminate duplicates Z: 12 8.072 1.673 0.334 0.426 1.000 0.727 CA 1.178 12 residues pruned to eliminate duplicates Z: 10 6.748 1.541 0.399 0.558 0.889 0.667 N 1.110 Z: 21 15.649 1.749 0.390 0.874 1.000 0.850 CA 1.048 21 residues pruned to eliminate duplicates Z: 6 5.994 1.698 0.446 0.555 0.800 0.400 CB 1.294 Z: 38 19.237 1.886 0.619 0.400 0.892 0.459 CB 1.289 38 residues pruned to eliminate duplicates Z: 20 14.676 1.794 0.308 0.685 1.000 0.737 CB 1.210 20 residues pruned to eliminate duplicates Z: 6 4.630 1.539 0.296 0.785 0.800 0.600 CB 1.010 6 residues pruned to eliminate duplicates Z: 8 4.461 1.642 0.341 0.257 0.857 0.429 CB 1.179 Z: 23 13.695 1.841 0.699 0.335 0.864 0.455 CA 1.294 22 residues pruned to eliminate duplicates Z: 11 5.319 1.739 0.381 0.398 0.800 0.600 CB 0.975 Z: 13 19.253 1.648 0.882 0.777 1.000 0.750 CA 1.403 13 residues pruned to eliminate duplicates Z: 7 3.127 1.818 0.033 0.350 0.833 0.333 CB 0.960 Z: 36 33.875 2.154 0.936 0.437 0.943 0.343 CB 1.555 36 residues pruned to eliminate duplicates Z: 39 21.068 1.882 0.430 0.557 0.895 0.737 CA 1.343 39 residues pruned to eliminate duplicates Z: 10 8.914 1.626 0.173 0.833 0.889 0.667 N 1.314 11 residues pruned to eliminate duplicates Z: 6 4.886 1.632 0.189 0.454 1.000 0.400 CA 1.181 Z: 7 9.409 1.849 0.171 0.752 1.000 1.000 CA 1.417 7 residues pruned to eliminate duplicates Z: 11 17.867 1.871 0.555 0.851 1.000 0.700 CB 1.437 11 residues pruned to eliminate duplicates Z: 14 11.274 1.602 0.592 0.837 1.000 1.000 CA 0.917 14 residues pruned to eliminate duplicates Z: 6 2.252 1.594 0.349 0.583 0.800 0.800 CB 0.540 6 residues pruned to eliminate duplicates Z: 7 3.979 1.638 0.138 0.397 0.833 0.333 O 1.165 Z: 18 23.025 1.924 0.801 0.819 0.941 0.471 CA 1.298 18 residues pruned to eliminate duplicates Z: 31 23.272 1.882 0.884 0.531 0.933 0.700 CB 1.245 32 residues pruned to eliminate duplicates Z: 41 25.240 1.921 0.556 0.599 0.900 0.750 CB 1.350 43 residues pruned to eliminate duplicates Z: 11 7.737 1.614 0.357 0.459 0.900 0.500 N 1.295 Z: 6 3.976 1.498 0.876 0.708 1.000 0.600 CB 0.524 Z: 12 15.146 1.714 0.635 0.837 0.909 0.818 CB 1.341 12 residues pruned to eliminate duplicates Z: 23 22.712 1.997 0.546 0.795 1.000 0.727 CA 1.211 23 residues pruned to eliminate duplicates Z: 6 3.824 1.622 0.396 0.434 0.800 0.600 CB 1.011 Z: 15 12.234 1.831 0.450 0.565 0.857 0.429 CA 1.349 15 residues pruned to eliminate duplicates Z: 27 19.936 1.987 0.838 0.354 0.885 0.500 CB 1.417 27 residues pruned to eliminate duplicates Z: 8 2.937 1.442 0.548 0.325 0.857 0.714 CB 0.703 Z: 8 3.346 1.459 0.483 0.166 0.857 0.143 CB 1.023 Z: 23 30.828 2.023 0.797 0.860 1.000 0.682 CA 1.329 23 residues pruned to eliminate duplicates Z: 9 8.730 1.702 0.326 0.573 1.000 0.625 CB 1.275 8 residues pruned to eliminate duplicates Z: 25 24.234 1.951 0.796 0.705 0.917 0.750 CB 1.278 25 residues pruned to eliminate duplicates Z: 42 33.336 2.064 0.718 0.587 0.902 0.683 CA 1.496 43 residues pruned to eliminate duplicates 6 0.470 1.540 0.414 0.760 0.600 0.600 CB 0.128 ? Z: 7 3.955 1.392 0.394 0.437 0.833 0.500 O 1.065 Z: 6 3.886 1.656 0.195 0.353 1.000 0.600 CB 1.030 6 residues pruned to eliminate duplicates Z: 10 5.065 1.372 0.703 0.392 0.778 0.556 CB 1.042 Z: 23 17.993 1.729 0.536 0.860 1.000 0.682 CB 1.062 23 residues pruned to eliminate duplicates Z: 25 11.500 1.845 0.506 0.393 0.875 0.667 CB 1.081 25 residues pruned to eliminate duplicates Z: 11 4.712 1.618 -0.040 0.475 0.900 0.500 CB 1.094 9 residues pruned to eliminate duplicates Z: 9 8.084 1.670 0.787 0.647 0.750 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 39 29.132 1.982 0.803 0.462 0.947 0.474 CB 1.451 39 residues pruned to eliminate duplicates Z: 9 7.294 1.748 0.233 0.600 1.000 0.625 CB 1.087 9 residues pruned to eliminate duplicates Z: 12 4.963 1.597 0.161 0.473 0.818 0.545 CB 1.014 12 residues pruned to eliminate duplicates Z: 6 4.812 1.756 0.413 0.734 0.600 0.400 CA 1.171 Z: 42 37.876 2.062 0.846 0.575 1.000 0.561 CB 1.446 42 residues pruned to eliminate duplicates Z: 11 4.614 1.689 0.364 0.376 0.700 0.400 CB 1.033 Z: 12 16.424 1.834 0.825 0.845 0.909 0.909 CB 1.210 12 residues pruned to eliminate duplicates Z: 8 10.075 1.691 0.450 0.894 1.000 1.000 CA 1.114 8 residues pruned to eliminate duplicates Z: 30 19.965 1.861 0.724 0.407 0.897 0.345 CA 1.420 30 residues pruned to eliminate duplicates Z: 10 5.460 1.691 0.473 0.522 0.778 0.556 CB 0.919 10 residues pruned to eliminate duplicates Z: 15 7.380 1.769 0.234 0.318 0.786 0.571 CB 1.407 15 residues pruned to eliminate duplicates Z: 13 11.059 1.591 0.335 0.777 0.917 0.667 CA 1.284 13 residues pruned to eliminate duplicates 6 1.480 1.367 -0.113 0.404 0.800 0.400 CB 0.754 ? Z: 27 26.605 2.013 0.567 0.792 0.962 0.692 CA 1.331 27 residues pruned to eliminate duplicates Z: 6 2.923 1.583 -0.059 0.483 0.800 0.600 N 1.117 Z: 18 19.016 2.028 0.690 0.514 1.000 0.765 CA 1.327 18 residues pruned to eliminate duplicates Z: 6 3.243 1.627 0.332 0.680 0.800 0.800 CB 0.709 7 residues pruned to eliminate duplicates Z: 7 8.668 1.777 0.202 0.799 1.000 0.833 CB 1.274 Z: 27 16.834 2.024 0.494 0.422 0.885 0.615 CB 1.338 27 residues pruned to eliminate duplicates Z: 23 17.036 1.786 0.367 0.861 1.000 0.864 CA 1.093 23 residues pruned to eliminate duplicates Z: 18 8.538 1.597 0.454 0.528 0.824 0.588 CA 1.054 18 residues pruned to eliminate duplicates Z: 14 19.606 1.958 0.754 0.703 1.000 1.000 CA 1.316 14 residues pruned to eliminate duplicates Z: 44 23.583 1.906 0.620 0.536 0.860 0.628 CB 1.307 44 residues pruned to eliminate duplicates Z: 13 21.858 1.856 1.044 0.791 0.917 0.333 CA 1.406 13 residues pruned to eliminate duplicates Z: 8 3.018 1.595 0.416 0.332 0.571 0.429 CB 1.063 4 residues pruned to eliminate duplicates Z: 9 5.763 1.652 0.282 0.449 0.875 0.750 CB 1.159 6 1.530 1.388 0.287 0.293 0.600 0.400 CA 0.806 ? Z: 31 21.234 1.876 0.462 0.588 0.900 0.667 CB 1.443 38 residues pruned to eliminate duplicates Z: 12 2.690 1.413 0.650 0.168 0.636 0.273 CB 0.818 6 residues pruned to eliminate duplicates Z: 11 12.537 1.504 1.167 0.910 1.000 0.400 CB 0.863 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 26 21.368 2.021 0.841 0.606 0.920 0.640 CB 1.129 26 residues pruned to eliminate duplicates Z: 16 21.667 1.988 0.739 0.772 1.000 0.800 CB 1.272 24 residues pruned to eliminate duplicates Z: 14 19.731 1.972 1.007 0.720 0.923 0.846 CB 1.228 14 residues pruned to eliminate duplicates Z: 33 23.296 1.973 0.745 0.537 0.906 0.500 CB 1.273 25 residues pruned to eliminate duplicates Z: 13 18.909 1.982 0.838 0.906 0.917 0.750 CB 1.162 13 residues pruned to eliminate duplicates Z: 41 22.167 1.855 0.789 0.506 0.900 0.600 CB 1.166 33 residues pruned to eliminate duplicates Z: 15 22.088 1.859 0.988 0.825 1.000 0.714 CB 1.206 15 residues pruned to eliminate duplicates Z: 34 20.689 1.877 0.746 0.504 0.939 0.515 CB 1.165 34 residues pruned to eliminate duplicates Z: 25 20.499 2.040 0.859 0.578 0.917 0.708 CB 1.116 25 residues pruned to eliminate duplicates Z: 29 19.017 2.003 0.626 0.502 0.929 0.750 CB 1.185 29 residues pruned to eliminate duplicates Z: 26 19.427 1.987 0.802 0.540 0.920 0.720 CB 1.135 26 residues pruned to eliminate duplicates Z: 33 22.356 1.953 0.779 0.533 0.906 0.594 CB 1.215 33 residues pruned to eliminate duplicates Z: 28 23.191 1.955 0.811 0.554 0.963 0.704 CB 1.242 28 residues pruned to eliminate duplicates Z: 8 14.742 1.901 0.747 0.645 1.000 0.429 CA 1.465 8 residues pruned to eliminate duplicates Z: 25 16.912 1.864 0.748 0.430 0.875 0.458 CB 1.302 21 residues pruned to eliminate duplicates Z: 7 9.511 1.816 0.598 0.783 1.000 0.667 CA 1.043 7 residues pruned to eliminate duplicates Z: 44 35.403 2.037 0.714 0.563 1.000 0.605 CB 1.454 48 residues pruned to eliminate duplicates Z: 7 10.808 1.815 0.628 0.774 1.000 0.500 CA 1.172 7 residues pruned to eliminate duplicates Z: 57 28.432 1.876 0.865 0.444 0.839 0.375 CB 1.372 83 residues pruned to eliminate duplicates Z: 9 11.667 1.856 0.883 0.512 0.875 0.625 CB 1.333 9 residues pruned to eliminate duplicates Z: 41 38.177 2.131 0.819 0.579 0.950 0.600 CB 1.519 41 residues pruned to eliminate duplicates Z: 6 4.208 1.590 1.073 0.226 0.800 0.400 CA 0.983 6 residues pruned to eliminate duplicates Z: 41 35.355 2.057 0.776 0.541 0.950 0.675 CB 1.546 42 residues pruned to eliminate duplicates Z: 13 24.796 2.168 1.010 0.777 0.917 0.667 CB 1.403 Z: 13 18.337 2.082 0.560 0.765 1.000 0.500 CB 1.288 14 residues pruned to eliminate duplicates Z: 13 20.760 2.041 0.613 0.838 1.000 0.833 CA 1.361 13 residues pruned to eliminate duplicates Z: 13 17.924 1.934 0.669 0.830 0.917 0.750 CB 1.315 13 residues pruned to eliminate duplicates Z: 13 24.862 2.051 1.011 0.837 0.917 0.583 CB 1.420 13 residues pruned to eliminate duplicates Z: 34 27.460 2.045 0.867 0.482 0.909 0.455 CB 1.402 46 residues pruned to eliminate duplicates Z: 41 36.319 2.098 0.863 0.527 1.000 0.475 CB 1.431 40 residues pruned to eliminate duplicates Z: 13 25.741 2.028 1.035 0.856 1.000 0.417 CB 1.327 Z: 12 25.650 2.056 0.972 0.855 1.000 0.818 CA 1.408 12 residues pruned to eliminate duplicates Z: 43 33.288 2.032 0.855 0.517 0.952 0.500 CB 1.408 56 residues pruned to eliminate duplicates Z: 14 23.984 1.940 1.118 0.813 1.000 0.538 CB 1.234 Z: 16 24.145 2.031 0.809 0.733 1.000 0.667 CB 1.376 14 residues pruned to eliminate duplicates Z: 16 29.161 2.015 1.117 0.765 1.000 0.600 CB 1.395 16 residues pruned to eliminate duplicates Z: 6 5.910 1.870 0.863 0.292 1.000 0.200 CB 0.958 4 residues pruned to eliminate duplicates Z: 6 4.487 1.498 0.597 0.361 0.800 0.600 O 1.218 Z: 6 3.181 1.625 0.665 0.298 1.000 0.600 CB 0.659 6 residues pruned to eliminate duplicates Z: 34 26.069 2.053 0.675 0.529 0.970 0.697 CB 1.323 34 residues pruned to eliminate duplicates Z: 37 23.128 1.984 0.619 0.479 0.917 0.667 CB 1.337 37 residues pruned to eliminate duplicates Z: 35 25.254 2.056 0.551 0.547 0.941 0.618 CB 1.378 35 residues pruned to eliminate duplicates Z: 36 22.629 2.046 0.565 0.508 0.886 0.571 CB 1.338 43 residues pruned to eliminate duplicates Z: 6 9.223 2.120 0.340 0.494 1.000 0.200 CA 1.461 6 residues pruned to eliminate duplicates Z: 35 25.132 2.042 0.580 0.526 0.941 0.676 CA 1.383 35 residues pruned to eliminate duplicates Z: 22 13.528 1.976 0.477 0.355 0.905 0.571 CB 1.308 22 residues pruned to eliminate duplicates Z: 33 24.257 2.062 0.624 0.477 0.938 0.719 CB 1.399 33 residues pruned to eliminate duplicates Z: 34 25.878 2.068 0.655 0.539 0.939 0.667 CB 1.348 34 residues pruned to eliminate duplicates Z: 38 23.799 2.005 0.578 0.537 0.919 0.622 CB 1.299 38 residues pruned to eliminate duplicates Z: 37 23.435 1.983 0.509 0.518 0.944 0.583 CA 1.357 37 residues pruned to eliminate duplicates Z: 18 20.354 2.041 0.712 0.671 0.941 0.706 CB 1.282 18 residues pruned to eliminate duplicates Z: 25 17.749 1.984 0.573 0.506 0.875 0.542 CB 1.319 25 residues pruned to eliminate duplicates Z: 18 20.651 2.003 0.777 0.704 0.941 0.824 CB 1.241 18 residues pruned to eliminate duplicates Z: 19 19.282 2.014 0.734 0.726 0.889 0.722 CA 1.193 19 residues pruned to eliminate duplicates Z: 16 17.618 1.949 0.933 0.643 0.867 0.667 CB 1.219 16 residues pruned to eliminate duplicates Z: 35 23.822 2.040 0.622 0.549 0.912 0.588 CB 1.291 35 residues pruned to eliminate duplicates Z: 18 18.802 2.046 0.784 0.671 0.941 0.412 CB 1.133 18 residues pruned to eliminate duplicates Z: 37 27.566 2.028 0.650 0.618 0.972 0.667 CB 1.263 37 residues pruned to eliminate duplicates Z: 40 22.687 1.984 0.676 0.513 0.872 0.487 CB 1.237 40 residues pruned to eliminate duplicates Z: 20 21.123 2.061 0.759 0.626 0.947 0.579 CB 1.253 20 residues pruned to eliminate duplicates Z: 6 5.531 1.456 0.752 0.392 1.000 0.800 CB 1.087 6 residues pruned to eliminate duplicates Z: 19 17.917 1.948 0.900 0.645 0.944 0.500 CB 1.055 19 residues pruned to eliminate duplicates Z: 15 11.390 1.750 0.644 0.559 0.929 0.643 CB 1.076 15 residues pruned to eliminate duplicates Z: 17 16.164 1.960 0.702 0.565 0.938 0.500 CB 1.213 17 residues pruned to eliminate duplicates Z: 16 12.576 1.993 0.768 0.498 0.733 0.333 CB 1.259 16 residues pruned to eliminate duplicates Z: 18 14.619 1.993 0.733 0.526 0.824 0.353 CB 1.215 18 residues pruned to eliminate duplicates Z: 16 17.147 2.042 0.774 0.546 0.933 0.600 CB 1.251 16 residues pruned to eliminate duplicates Z: 19 14.072 1.889 0.716 0.545 0.889 0.444 CB 1.102 19 residues pruned to eliminate duplicates Z: 41 32.875 2.081 0.708 0.562 0.900 0.625 CB 1.530 41 residues pruned to eliminate duplicates Z: 7 5.398 1.815 0.417 0.541 0.667 0.333 CB 1.235 7 residues pruned to eliminate duplicates Z: 16 15.744 1.981 0.614 0.487 0.933 0.533 CB 1.381 16 residues pruned to eliminate duplicates Z: 43 31.348 2.018 0.833 0.505 0.929 0.548 CB 1.400 43 residues pruned to eliminate duplicates Z: 40 33.505 2.089 0.728 0.552 0.897 0.615 CB 1.574 40 residues pruned to eliminate duplicates Z: 16 12.100 2.012 0.641 0.487 0.867 0.333 CB 1.106 16 residues pruned to eliminate duplicates Z: 40 41.088 2.097 0.959 0.574 0.949 0.564 CB 1.571 40 residues pruned to eliminate duplicates Z: 7 3.131 1.268 0.332 0.355 0.833 0.500 O 1.063 7 residues pruned to eliminate duplicates Z: 17 19.657 1.988 0.869 0.460 0.938 0.500 CB 1.471 17 residues pruned to eliminate duplicates Z: 40 35.972 2.107 0.806 0.533 0.974 0.513 CB 1.504 40 residues pruned to eliminate duplicates Z: 42 37.163 2.110 0.823 0.540 0.951 0.488 CB 1.525 41 residues pruned to eliminate duplicates Z: 13 30.467 2.213 1.060 0.755 0.917 0.833 CA 1.676 13 residues pruned to eliminate duplicates Z: 40 36.205 2.123 0.829 0.548 0.897 0.590 CB 1.587 40 residues pruned to eliminate duplicates Z: 40 38.025 2.093 0.951 0.523 0.949 0.590 CB 1.536 40 residues pruned to eliminate duplicates Z: 12 24.839 2.107 1.016 0.815 0.909 0.818 CA 1.475 12 residues pruned to eliminate duplicates Z: 30 34.467 2.072 0.880 0.564 1.000 0.828 CA 1.545 30 residues pruned to eliminate duplicates Z: 14 25.042 1.958 0.984 0.783 1.000 0.692 CA 1.393 14 residues pruned to eliminate duplicates Z: 42 34.728 2.093 0.883 0.538 0.878 0.659 CB 1.509 42 residues pruned to eliminate duplicates Z: 43 37.709 2.086 0.873 0.551 0.952 0.595 CB 1.489 43 residues pruned to eliminate duplicates Z: 41 36.704 2.099 0.876 0.533 0.975 0.550 CB 1.463 41 residues pruned to eliminate duplicates Z: 43 36.559 2.078 0.889 0.539 0.952 0.595 CB 1.452 43 residues pruned to eliminate duplicates Z: 40 40.116 2.108 0.990 0.531 0.949 0.641 CB 1.565 40 residues pruned to eliminate duplicates Z: 40 36.679 2.089 0.973 0.533 0.949 0.487 CB 1.455 40 residues pruned to eliminate duplicates Z: 40 36.132 2.092 0.966 0.505 0.949 0.436 CB 1.476 40 residues pruned to eliminate duplicates Z: 40 39.385 2.115 0.955 0.529 0.974 0.564 CB 1.521 40 residues pruned to eliminate duplicates Z: 25 37.422 2.133 1.062 0.632 1.000 0.542 CA 1.535 25 residues pruned to eliminate duplicates Z: 41 40.107 2.089 0.966 0.563 0.925 0.425 CB 1.570 42 residues pruned to eliminate duplicates Z: 11 14.232 1.872 0.547 0.914 1.000 0.800 CB 1.099 11 residues pruned to eliminate duplicates Z: 14 13.920 1.741 0.871 0.784 0.923 0.769 CB 1.000 14 residues pruned to eliminate duplicates Z: 10 14.097 1.912 0.696 0.898 1.000 0.889 CB 1.036 10 residues pruned to eliminate duplicates Z: 11 17.566 1.892 0.793 0.913 1.000 1.000 CB 1.159 11 residues pruned to eliminate duplicates Z: 10 16.776 1.935 0.909 0.903 1.000 0.889 CB 1.079 10 residues pruned to eliminate duplicates Z: 12 17.090 1.878 0.848 0.930 1.000 0.909 CB 1.039 12 residues pruned to eliminate duplicates Z: 23 19.970 1.841 0.905 0.640 0.955 0.727 CB 1.116 22 residues pruned to eliminate duplicates Z: 11 19.591 1.892 1.057 0.920 1.000 1.000 CB 1.121 11 residues pruned to eliminate duplicates Z: 23 19.526 1.879 0.844 0.683 0.909 0.682 CB 1.117 23 residues pruned to eliminate duplicates Z: 12 17.263 1.899 0.998 0.932 1.000 1.000 CB 0.958 12 residues pruned to eliminate duplicates Z: 13 11.452 1.848 0.736 0.441 0.917 0.667 CA 1.195 12 residues pruned to eliminate duplicates Z: 6 2.079 1.479 0.539 0.438 0.400 0.200 N 1.089 6 residues pruned to eliminate duplicates Z: 24 14.848 1.713 0.742 0.373 0.870 0.696 CA 1.366 38 residues pruned to eliminate duplicates Z: 6 5.190 1.468 0.862 0.416 1.000 0.600 CA 0.927 Z: 6 3.421 1.590 0.495 0.371 1.000 0.400 CA 0.739 12 residues pruned to eliminate duplicates Z: 38 23.658 1.934 0.522 0.642 0.892 0.676 CB 1.296 38 residues pruned to eliminate duplicates Z: 28 23.005 1.985 0.525 0.751 0.926 0.852 CA 1.262 28 residues pruned to eliminate duplicates Z: 33 24.211 1.992 0.540 0.679 0.938 0.875 CA 1.262 33 residues pruned to eliminate duplicates Z: 21 18.550 1.931 0.308 0.764 0.950 0.900 CA 1.368 21 residues pruned to eliminate duplicates Z: 34 25.375 1.975 0.466 0.710 0.970 0.848 CA 1.300 34 residues pruned to eliminate duplicates Z: 34 23.417 1.866 0.544 0.645 0.909 0.667 CA 1.359 34 residues pruned to eliminate duplicates Z: 30 27.334 1.958 0.673 0.690 0.966 0.724 CA 1.349 30 residues pruned to eliminate duplicates Z: 26 32.544 2.054 0.768 0.806 0.960 0.840 CA 1.430 26 residues pruned to eliminate duplicates Z: 29 28.607 1.955 0.750 0.714 0.964 0.750 CA 1.350 29 residues pruned to eliminate duplicates Z: 26 31.033 2.043 0.682 0.785 1.000 0.840 CA 1.406 26 residues pruned to eliminate duplicates Z: 25 38.827 2.085 1.014 0.815 0.958 0.750 CA 1.498 28 residues pruned to eliminate duplicates Z: 22 35.094 2.071 0.808 0.875 1.000 0.524 CA 1.487 22 residues pruned to eliminate duplicates Z: 27 33.864 2.025 0.899 0.781 0.962 0.769 CA 1.402 27 residues pruned to eliminate duplicates Z: 39 30.096 1.942 0.781 0.632 0.921 0.737 CB 1.354 30 residues pruned to eliminate duplicates Z: 22 35.363 2.079 0.876 0.894 0.952 0.619 CA 1.490 22 residues pruned to eliminate duplicates Z: 30 29.911 2.002 0.744 0.692 0.931 0.621 CA 1.434 30 residues pruned to eliminate duplicates Z: 45 36.547 1.926 0.720 0.691 0.977 0.591 CA 1.428 45 residues pruned to eliminate duplicates Z: 38 31.938 1.964 0.838 0.625 0.919 0.676 CB 1.406 38 residues pruned to eliminate duplicates Z: 25 39.397 2.086 1.004 0.837 0.958 0.833 CB 1.501 34 residues pruned to eliminate duplicates Z: 22 31.974 2.006 0.876 0.894 0.952 0.714 CA 1.396 22 residues pruned to eliminate duplicates Z: 34 32.659 2.001 0.711 0.691 0.970 0.636 CB 1.438 34 residues pruned to eliminate duplicates Z: 23 35.276 2.012 0.957 0.886 1.000 0.591 CA 1.378 23 residues pruned to eliminate duplicates Z: 43 32.139 1.954 0.633 0.640 0.952 0.476 CA 1.432 43 residues pruned to eliminate duplicates Z: 43 35.731 1.954 0.870 0.652 0.929 0.405 CB 1.411 43 residues pruned to eliminate duplicates Z: 33 34.307 2.012 0.837 0.699 0.938 0.594 CB 1.459 33 residues pruned to eliminate duplicates Z: 32 34.557 2.042 0.841 0.748 0.968 0.548 CA 1.367 32 residues pruned to eliminate duplicates Z: 37 26.935 1.979 0.638 0.632 0.889 0.556 CB 1.376 37 residues pruned to eliminate duplicates Z: 33 35.976 2.046 0.795 0.728 1.000 0.688 CB 1.410 33 residues pruned to eliminate duplicates Z: 7 4.673 1.516 0.409 0.536 0.833 0.667 CA 1.034 Z: 6 4.500 1.814 0.982 0.287 0.800 0.200 CA 0.890 6 residues pruned to eliminate duplicates Z: 20 15.489 1.924 0.887 0.406 0.842 0.579 CB 1.283 20 residues pruned to eliminate duplicates Z: 30 14.014 1.734 0.777 0.346 0.828 0.379 CA 1.206 30 residues pruned to eliminate duplicates Z: 40 23.477 1.892 0.611 0.521 0.897 0.641 CB 1.346 40 residues pruned to eliminate duplicates Z: 41 23.299 1.913 0.692 0.449 0.900 0.625 CB 1.333 41 residues pruned to eliminate duplicates Z: 40 27.873 1.932 0.735 0.534 0.949 0.692 CB 1.358 40 residues pruned to eliminate duplicates Z: 40 20.026 1.819 0.756 0.513 0.872 0.615 CB 1.137 40 residues pruned to eliminate duplicates Z: 41 22.489 1.913 0.681 0.490 0.825 0.650 CB 1.354 41 residues pruned to eliminate duplicates Z: 12 13.945 1.742 0.781 0.807 0.909 0.636 CB 1.141 12 residues pruned to eliminate duplicates Z: 16 18.769 2.026 0.765 0.681 0.933 0.667 CA 1.230 16 residues pruned to eliminate duplicates Z: 41 25.865 1.922 0.802 0.527 0.900 0.650 CB 1.277 42 residues pruned to eliminate duplicates Z: 12 15.517 1.812 1.112 0.633 1.000 0.636 CA 1.079 12 residues pruned to eliminate duplicates Z: 17 25.394 2.033 1.000 0.737 1.000 0.875 CB 1.262 17 residues pruned to eliminate duplicates Z: 35 23.116 1.976 0.747 0.524 0.853 0.676 CB 1.315 35 residues pruned to eliminate duplicates Z: 42 27.107 1.919 0.826 0.480 0.878 0.610 CB 1.404 42 residues pruned to eliminate duplicates Z: 18 19.878 1.897 0.859 0.671 0.941 0.706 CB 1.240 18 residues pruned to eliminate duplicates Z: 36 22.567 1.920 0.767 0.495 0.857 0.629 CB 1.318 36 residues pruned to eliminate duplicates Z: 14 25.620 2.125 0.827 0.693 1.000 0.846 CA 1.535 14 residues pruned to eliminate duplicates Z: 17 21.645 1.987 0.863 0.669 0.938 0.625 CA 1.334 17 residues pruned to eliminate duplicates Z: 22 15.198 1.870 0.863 0.360 0.857 0.333 CB 1.291 18 residues pruned to eliminate duplicates Z: 8 13.665 1.881 0.911 0.572 1.000 0.429 CB 1.340 12 residues pruned to eliminate duplicates Z: 10 12.137 1.608 0.955 0.640 0.889 0.444 CB 1.270 10 residues pruned to eliminate duplicates Z: 12 13.800 2.029 1.118 0.348 0.818 0.273 CB 1.395 10 residues pruned to eliminate duplicates Z: 8 11.470 1.847 0.710 0.687 0.857 0.286 CA 1.349 8 residues pruned to eliminate duplicates Z: 41 34.091 2.052 0.882 0.517 0.925 0.625 CB 1.484 41 residues pruned to eliminate duplicates Z: 43 31.779 2.010 0.895 0.501 0.881 0.643 CB 1.460 43 residues pruned to eliminate duplicates Z: 40 37.323 2.061 0.993 0.537 0.949 0.641 CB 1.479 40 residues pruned to eliminate duplicates Z: 7 4.651 1.188 0.754 0.462 1.000 0.833 O 0.948 7 residues pruned to eliminate duplicates Z: 40 29.472 2.068 0.770 0.475 0.897 0.615 CB 1.472 40 residues pruned to eliminate duplicates Z: 41 28.826 2.002 0.677 0.447 0.950 0.600 CA 1.509 41 residues pruned to eliminate duplicates Z: 40 31.642 2.046 0.764 0.484 0.949 0.615 CB 1.504 40 residues pruned to eliminate duplicates Z: 34 27.245 1.966 0.709 0.522 0.970 0.606 CB 1.425 34 residues pruned to eliminate duplicates Z: 40 32.344 2.035 0.803 0.504 0.923 0.513 CB 1.523 40 residues pruned to eliminate duplicates Z: 41 33.279 2.076 0.782 0.468 0.950 0.600 CB 1.546 41 residues pruned to eliminate duplicates Z: 44 29.641 2.029 0.775 0.450 0.884 0.558 CB 1.494 44 residues pruned to eliminate duplicates Z: 27 29.122 2.024 0.894 0.559 0.962 0.654 CB 1.463 27 residues pruned to eliminate duplicates Z: 41 31.138 2.057 0.819 0.508 0.925 0.625 CB 1.411 41 residues pruned to eliminate duplicates Z: 39 26.944 2.032 0.758 0.417 0.921 0.526 CB 1.448 39 residues pruned to eliminate duplicates Z: 29 27.227 2.000 0.814 0.544 0.929 0.643 CB 1.463 29 residues pruned to eliminate duplicates Z: 23 29.419 2.039 0.994 0.637 0.909 0.545 CB 1.492 23 residues pruned to eliminate duplicates Z: 41 33.746 2.040 0.894 0.481 0.950 0.525 CB 1.482 41 residues pruned to eliminate duplicates Z: 41 28.977 2.055 0.884 0.491 0.850 0.525 CB 1.404 41 residues pruned to eliminate duplicates Z: 15 23.227 2.067 0.770 0.622 1.000 0.571 CB 1.513 15 residues pruned to eliminate duplicates Z: 16 26.696 2.056 0.725 0.772 1.000 0.733 CA 1.528 16 residues pruned to eliminate duplicates Z: 40 33.602 2.057 0.854 0.502 0.974 0.462 CB 1.445 40 residues pruned to eliminate duplicates Z: 44 33.424 2.021 0.982 0.478 0.907 0.488 CB 1.435 44 residues pruned to eliminate duplicates Z: 8 7.139 1.627 0.792 0.492 0.714 0.286 CB 1.305 8 residues pruned to eliminate duplicates Z: 42 31.385 2.020 0.941 0.473 0.902 0.439 CB 1.424 42 residues pruned to eliminate duplicates Z: 6 5.477 1.569 0.711 0.476 1.000 0.800 CA 0.934 6 residues pruned to eliminate duplicates Z: 44 31.137 2.000 0.886 0.460 0.884 0.581 CB 1.483 44 residues pruned to eliminate duplicates Z: 45 30.989 1.982 0.914 0.450 0.886 0.364 CB 1.464 45 residues pruned to eliminate duplicates Z: 42 33.999 2.031 0.997 0.473 0.927 0.439 CB 1.452 42 residues pruned to eliminate duplicates Z: 7 7.784 1.920 0.471 0.548 1.000 0.500 CB 1.073 7 residues pruned to eliminate duplicates Z: 7 6.009 1.717 0.626 0.408 1.000 0.333 CB 0.968 7 residues pruned to eliminate duplicates Z: 47 19.919 1.826 0.618 0.422 0.870 0.500 CB 1.240 47 residues pruned to eliminate duplicates Z: 30 23.116 2.022 0.625 0.567 0.931 0.724 CB 1.315 30 residues pruned to eliminate duplicates Z: 7 6.346 1.890 0.236 0.573 1.000 0.667 CB 1.033 7 residues pruned to eliminate duplicates Z: 31 22.058 1.921 0.780 0.543 0.900 0.600 CB 1.254 31 residues pruned to eliminate duplicates Z: 37 16.091 1.866 0.600 0.449 0.861 0.528 CB 1.099 37 residues pruned to eliminate duplicates Z: 41 24.047 1.868 0.865 0.523 0.925 0.575 CB 1.154 41 residues pruned to eliminate duplicates Z: 14 14.067 1.944 0.627 0.418 0.923 0.615 CB 1.456 14 residues pruned to eliminate duplicates Z: 30 22.200 1.977 0.704 0.550 0.966 0.655 CB 1.207 30 residues pruned to eliminate duplicates Z: 35 18.299 1.914 0.640 0.501 0.912 0.471 CB 1.096 35 residues pruned to eliminate duplicates Z: 34 19.262 1.926 0.639 0.506 0.848 0.515 CB 1.245 34 residues pruned to eliminate duplicates Z: 56 22.926 1.896 0.658 0.463 0.836 0.455 CB 1.221 56 residues pruned to eliminate duplicates Z: 31 22.041 1.976 0.711 0.550 0.900 0.467 CB 1.260 31 residues pruned to eliminate duplicates Z: 36 22.887 1.932 0.836 0.487 0.914 0.429 CB 1.209 36 residues pruned to eliminate duplicates Z: 19 17.258 1.884 0.884 0.592 0.944 0.556 CB 1.111 19 residues pruned to eliminate duplicates Z: 24 10.516 1.803 0.506 0.342 0.826 0.304 CB 1.161 24 residues pruned to eliminate duplicates Z: 19 18.304 1.974 0.957 0.613 0.889 0.500 CB 1.129 19 residues pruned to eliminate duplicates Z: 26 17.720 1.971 0.723 0.527 0.800 0.600 CB 1.271 26 residues pruned to eliminate duplicates Z: 26 23.371 2.022 0.814 0.593 0.880 0.560 CB 1.326 26 residues pruned to eliminate duplicates Z: 30 22.517 1.909 0.930 0.543 0.931 0.552 CB 1.169 30 residues pruned to eliminate duplicates Z: 44 24.492 1.877 0.829 0.536 0.907 0.605 CB 1.158 44 residues pruned to eliminate duplicates Z: 24 14.002 1.817 0.887 0.478 0.826 0.652 CB 1.055 24 residues pruned to eliminate duplicates Z: 17 19.990 2.001 0.931 0.627 0.875 0.625 CB 1.311 17 residues pruned to eliminate duplicates Z: 30 23.093 1.992 0.688 0.541 0.966 0.655 CB 1.269 30 residues pruned to eliminate duplicates Z: 33 23.950 1.894 0.823 0.590 0.938 0.562 CB 1.200 33 residues pruned to eliminate duplicates Z: 26 22.377 2.021 0.691 0.606 0.920 0.680 CB 1.286 26 residues pruned to eliminate duplicates Z: 28 14.080 1.891 0.591 0.491 0.852 0.556 CB 1.066 28 residues pruned to eliminate duplicates Z: 40 24.002 1.869 0.847 0.573 0.872 0.487 CB 1.190 40 residues pruned to eliminate duplicates Z: 49 29.833 1.973 0.832 0.516 0.917 0.500 CB 1.279 49 residues pruned to eliminate duplicates Z: 6 6.405 1.684 1.017 0.441 1.000 0.600 CA 0.896 6 residues pruned to eliminate duplicates Z: 12 12.672 1.722 1.141 0.548 0.909 0.818 CB 1.088 12 residues pruned to eliminate duplicates Z: 7 8.559 1.964 0.481 0.579 1.000 0.500 CB 1.113 7 residues pruned to eliminate duplicates Z: 8 9.096 1.825 0.436 0.588 1.000 0.571 CB 1.205 8 residues pruned to eliminate duplicates Z: 26 17.654 2.076 0.637 0.356 0.880 0.480 CB 1.380 26 residues pruned to eliminate duplicates Z: 10 7.155 1.657 0.499 0.413 0.889 0.778 CB 1.184 10 residues pruned to eliminate duplicates Z: 9 3.490 1.391 0.876 0.265 0.875 0.375 CB 0.707 9 residues pruned to eliminate duplicates Z: 22 14.792 1.968 0.483 0.323 0.905 0.476 CB 1.486 22 residues pruned to eliminate duplicates Z: 27 18.965 1.957 0.586 0.384 0.923 0.462 CB 1.469 27 residues pruned to eliminate duplicates Z: 10 17.938 2.024 1.073 0.630 0.889 0.556 CB 1.419 10 residues pruned to eliminate duplicates Z: 41 34.206 2.120 0.884 0.498 0.925 0.600 CB 1.467 41 residues pruned to eliminate duplicates Z: 9 11.881 1.753 0.554 0.777 1.000 0.250 CB 1.208 9 residues pruned to eliminate duplicates Z: 19 17.420 2.152 0.635 0.311 0.889 0.389 CB 1.620 19 residues pruned to eliminate duplicates Z: 18 14.278 2.137 0.639 0.269 0.824 0.412 CB 1.562 18 residues pruned to eliminate duplicates Z: 20 18.016 2.038 0.824 0.298 0.895 0.421 CB 1.557 20 residues pruned to eliminate duplicates Z: 41 38.770 2.153 0.907 0.504 0.950 0.600 CB 1.566 41 residues pruned to eliminate duplicates Z: 6 5.418 1.692 0.914 0.191 0.800 0.600 CA 1.353 6 residues pruned to eliminate duplicates Z: 19 19.312 2.184 0.628 0.369 0.889 0.444 CB 1.657 19 residues pruned to eliminate duplicates Z: 42 38.899 2.106 0.843 0.531 0.976 0.585 CB 1.556 41 residues pruned to eliminate duplicates Z: 6 4.031 1.547 0.141 0.290 1.000 0.600 N 1.292 6 residues pruned to eliminate duplicates Z: 41 34.348 2.173 0.818 0.490 0.875 0.650 CB 1.588 41 residues pruned to eliminate duplicates Z: 42 36.020 2.140 0.835 0.490 0.927 0.659 CB 1.561 42 residues pruned to eliminate duplicates Z: 42 35.538 2.118 0.887 0.480 0.878 0.634 CA 1.614 42 residues pruned to eliminate duplicates Z: 40 38.233 2.109 0.892 0.510 0.974 0.564 CA 1.559 40 residues pruned to eliminate duplicates Z: 12 22.337 2.100 0.766 0.863 1.000 0.909 CA 1.331 12 residues pruned to eliminate duplicates Z: 40 33.828 2.116 0.783 0.479 0.949 0.538 CB 1.546 40 residues pruned to eliminate duplicates Z: 41 40.435 2.192 0.877 0.489 0.975 0.575 CB 1.612 41 residues pruned to eliminate duplicates Z: 42 37.995 2.145 0.964 0.450 0.951 0.512 CA 1.558 42 residues pruned to eliminate duplicates Z: 26 30.015 2.078 0.861 0.581 0.920 0.560 CB 1.561 26 residues pruned to eliminate duplicates Z: 42 33.500 2.091 0.908 0.492 0.878 0.634 CB 1.506 42 residues pruned to eliminate duplicates Z: 30 30.092 2.065 0.974 0.532 0.897 0.690 CA 1.482 30 residues pruned to eliminate duplicates Z: 40 42.562 2.113 1.063 0.530 0.974 0.615 CA 1.558 40 residues pruned to eliminate duplicates Z: 16 23.757 1.980 0.884 0.714 1.000 0.533 CA 1.355 16 residues pruned to eliminate duplicates Z: 41 39.562 2.186 0.945 0.498 0.925 0.550 CB 1.595 42 residues pruned to eliminate duplicates Z: 8 3.915 1.167 0.859 0.501 0.714 0.286 N 0.953 8 residues pruned to eliminate duplicates Z: 42 33.861 2.120 0.897 0.455 0.902 0.537 CB 1.525 42 residues pruned to eliminate duplicates Z: 41 39.058 2.150 1.009 0.486 0.925 0.475 CB 1.566 41 residues pruned to eliminate duplicates Z: 27 29.290 2.012 1.069 0.565 0.923 0.500 CB 1.403 27 residues pruned to eliminate duplicates Z: 42 34.719 2.109 0.959 0.478 0.902 0.488 CB 1.488 42 residues pruned to eliminate duplicates Z: 25 32.847 2.141 1.063 0.576 0.917 0.583 CB 1.539 25 residues pruned to eliminate duplicates Z: 28 28.459 2.108 0.844 0.513 0.889 0.519 CA 1.565 28 residues pruned to eliminate duplicates Z: 15 20.636 1.769 0.650 0.747 1.000 0.786 CA 1.515 15 residues pruned to eliminate duplicates Z: 15 18.384 1.831 0.575 0.737 0.929 0.714 CA 1.483 15 residues pruned to eliminate duplicates Z: 22 13.054 1.780 0.472 0.470 0.857 0.571 CA 1.307 22 residues pruned to eliminate duplicates Z: 11 13.088 1.883 0.407 0.728 0.800 0.700 CA 1.589 11 residues pruned to eliminate duplicates Z: 15 21.003 1.921 0.599 0.728 1.000 0.643 CA 1.488 15 residues pruned to eliminate duplicates Z: 15 18.332 1.800 0.503 0.733 1.000 0.500 CA 1.468 15 residues pruned to eliminate duplicates Z: 12 18.140 1.948 0.625 0.721 0.909 0.455 CA 1.557 12 residues pruned to eliminate duplicates Z: 15 17.695 1.846 0.612 0.675 0.929 0.571 CA 1.457 15 residues pruned to eliminate duplicates Z: 16 19.930 1.871 0.536 0.749 1.000 0.733 CA 1.433 16 residues pruned to eliminate duplicates Z: 16 16.466 1.742 0.513 0.633 1.000 0.733 CB 1.424 16 residues pruned to eliminate duplicates Z: 17 15.818 1.803 0.510 0.593 0.875 0.562 CB 1.518 17 residues pruned to eliminate duplicates Z: 25 15.670 1.684 0.399 0.588 0.875 0.583 CA 1.426 25 residues pruned to eliminate duplicates Z: 17 22.138 1.795 0.662 0.785 0.938 0.688 CA 1.541 17 residues pruned to eliminate duplicates Z: 53 33.872 1.917 0.684 0.615 0.904 0.615 CA 1.443 53 residues pruned to eliminate duplicates Z: 20 13.680 1.748 0.642 0.432 0.895 0.316 CB 1.312 20 residues pruned to eliminate duplicates Z: 43 27.508 1.939 0.641 0.546 0.929 0.667 CB 1.373 43 residues pruned to eliminate duplicates Z: 18 15.037 1.827 0.749 0.534 0.882 0.471 CB 1.251 18 residues pruned to eliminate duplicates Z: 39 26.852 1.973 0.691 0.533 0.895 0.658 CA 1.413 39 residues pruned to eliminate duplicates Z: 40 24.411 1.954 0.547 0.545 0.949 0.590 CB 1.305 40 residues pruned to eliminate duplicates Z: 21 17.399 1.786 0.716 0.490 1.000 0.550 CB 1.283 21 residues pruned to eliminate duplicates Z: 31 25.293 1.889 0.844 0.518 0.900 0.567 CA 1.447 31 residues pruned to eliminate duplicates Z: 40 29.079 1.976 0.833 0.508 0.923 0.590 CB 1.382 40 residues pruned to eliminate duplicates Z: 40 24.522 1.937 0.432 0.519 0.974 0.641 CB 1.426 40 residues pruned to eliminate duplicates Z: 31 23.231 1.980 0.627 0.557 0.900 0.533 CB 1.383 31 residues pruned to eliminate duplicates Z: 19 11.472 1.870 0.583 0.359 0.778 0.389 CA 1.368 19 residues pruned to eliminate duplicates Z: 21 14.971 1.872 0.640 0.412 0.900 0.500 CB 1.328 21 residues pruned to eliminate duplicates Z: 42 29.016 1.964 0.634 0.516 0.951 0.659 CB 1.461 42 residues pruned to eliminate duplicates Z: 30 27.125 1.994 0.750 0.518 0.966 0.621 CB 1.469 30 residues pruned to eliminate duplicates Z: 25 23.979 1.976 0.948 0.609 0.875 0.708 CB 1.311 25 residues pruned to eliminate duplicates Z: 43 29.102 1.954 0.670 0.509 1.000 0.619 CB 1.364 43 residues pruned to eliminate duplicates Z: 41 27.269 1.949 0.769 0.536 0.875 0.525 CB 1.380 41 residues pruned to eliminate duplicates Z: 45 28.493 1.885 0.794 0.478 0.955 0.591 CB 1.361 42 residues pruned to eliminate duplicates Z: 13 14.780 1.955 0.583 0.818 1.000 0.667 CB 1.046 13 residues pruned to eliminate duplicates Z: 44 28.407 1.865 0.796 0.516 0.930 0.628 CB 1.369 45 residues pruned to eliminate duplicates Z: 13 20.272 1.952 0.851 0.792 0.917 0.500 CB 1.368 13 residues pruned to eliminate duplicates Z: 25 23.621 1.971 0.926 0.621 0.958 0.708 CB 1.183 25 residues pruned to eliminate duplicates Z: 42 29.194 1.965 0.802 0.504 0.976 0.488 CB 1.315 42 residues pruned to eliminate duplicates Z: 42 30.057 1.929 0.784 0.504 0.976 0.415 CB 1.392 42 residues pruned to eliminate duplicates Z: 25 18.804 1.875 0.811 0.607 0.875 0.375 CB 1.167 25 residues pruned to eliminate duplicates Z: 41 29.733 1.966 0.803 0.529 0.950 0.550 CB 1.357 41 residues pruned to eliminate duplicates Z: 43 27.996 1.926 0.856 0.502 0.905 0.476 CB 1.333 43 residues pruned to eliminate duplicates Z: 29 21.671 1.862 0.852 0.553 0.893 0.429 CB 1.264 29 residues pruned to eliminate duplicates Z: 29 21.930 1.882 0.780 0.563 0.929 0.536 CB 1.254 29 residues pruned to eliminate duplicates Z: 42 29.947 1.924 0.790 0.529 0.976 0.512 CB 1.353 42 residues pruned to eliminate duplicates Z: 6 6.948 1.389 1.002 0.515 1.000 0.600 N 1.101 6 residues pruned to eliminate duplicates Z: 51 22.565 1.854 0.598 0.437 0.880 0.560 CB 1.306 51 residues pruned to eliminate duplicates Z: 26 25.411 1.952 0.998 0.582 0.960 0.480 CB 1.254 27 residues pruned to eliminate duplicates Z: 13 7.516 1.730 0.343 0.517 0.750 0.583 CB 1.224 13 residues pruned to eliminate duplicates Z: 12 8.326 1.626 0.610 0.524 0.909 0.545 CB 1.030 45 residues pruned to eliminate duplicates Z: 25 18.596 2.083 0.490 0.367 0.917 0.667 CB 1.538 Z: 7 8.668 1.669 0.281 0.773 1.000 0.667 C 1.300 7 residues pruned to eliminate duplicates Z: 39 22.146 1.939 0.554 0.449 0.947 0.632 CB 1.326 31 residues pruned to eliminate duplicates Z: 15 14.317 1.999 0.310 0.657 0.929 0.571 CA 1.360 15 residues pruned to eliminate duplicates Z: 33 22.751 1.999 0.611 0.477 0.906 0.594 CA 1.410 33 residues pruned to eliminate duplicates Z: 31 21.467 1.993 0.503 0.463 0.967 0.667 CA 1.406 31 residues pruned to eliminate duplicates Z: 28 24.175 2.048 0.693 0.445 0.963 0.704 CA 1.474 28 residues pruned to eliminate duplicates Z: 17 10.922 1.875 0.237 0.628 0.938 0.438 CB 1.113 17 residues pruned to eliminate duplicates Z: 32 24.421 2.008 0.724 0.469 0.935 0.613 CA 1.397 32 residues pruned to eliminate duplicates Z: 51 22.911 1.923 0.576 0.432 0.900 0.600 CB 1.275 52 residues pruned to eliminate duplicates Z: 11 15.011 1.922 0.889 0.568 1.000 0.600 CA 1.224 11 residues pruned to eliminate duplicates Z: 31 22.260 2.006 0.450 0.475 0.967 0.800 CB 1.481 31 residues pruned to eliminate duplicates Z: 80 40.457 2.044 0.783 0.476 0.899 0.620 CB 1.423 80 residues pruned to eliminate duplicates Z: 45 24.129 1.917 0.564 0.441 0.955 0.591 CB 1.351 45 residues pruned to eliminate duplicates Z: 44 21.364 1.920 0.511 0.431 0.907 0.535 CB 1.330 44 residues pruned to eliminate duplicates Z: 38 24.002 1.926 0.556 0.481 0.946 0.676 CB 1.419 38 residues pruned to eliminate duplicates Z: 32 23.015 1.986 0.635 0.459 0.935 0.645 CA 1.419 32 residues pruned to eliminate duplicates Z: 74 35.833 1.991 0.695 0.456 0.945 0.603 CB 1.375 74 residues pruned to eliminate duplicates Z: 43 22.225 1.882 0.616 0.444 0.905 0.571 CB 1.319 43 residues pruned to eliminate duplicates Z: 31 24.461 2.018 0.705 0.472 0.933 0.633 CA 1.430 31 residues pruned to eliminate duplicates Z: 32 21.666 1.994 0.637 0.482 0.871 0.645 CA 1.395 32 residues pruned to eliminate duplicates Z: 38 21.421 1.931 0.561 0.439 0.892 0.622 CA 1.395 38 residues pruned to eliminate duplicates Z: 32 27.010 2.027 0.892 0.492 0.935 0.613 CA 1.364 32 residues pruned to eliminate duplicates Z: 32 25.146 2.039 0.725 0.500 0.903 0.645 CA 1.421 32 residues pruned to eliminate duplicates Z: 45 22.524 1.924 0.729 0.407 0.909 0.614 CB 1.239 45 residues pruned to eliminate duplicates Z: 10 10.184 1.835 0.556 0.609 0.889 0.667 CA 1.206 10 residues pruned to eliminate duplicates Z: 33 24.453 2.022 0.619 0.472 0.938 0.688 CA 1.449 33 residues pruned to eliminate duplicates Z: 25 14.315 1.767 0.826 0.408 0.958 0.583 CB 1.041 25 residues pruned to eliminate duplicates Z: 31 24.633 2.032 0.714 0.442 0.933 0.600 CA 1.469 31 residues pruned to eliminate duplicates Z: 15 19.673 1.897 0.752 0.715 0.929 0.643 CA 1.402 15 residues pruned to eliminate duplicates Z: 17 15.580 1.862 0.470 0.650 0.875 0.438 CA 1.414 17 residues pruned to eliminate duplicates Z: 17 14.322 1.805 0.428 0.613 1.000 0.562 CB 1.248 17 residues pruned to eliminate duplicates Z: 16 16.113 1.862 0.653 0.661 0.867 0.533 CA 1.344 16 residues pruned to eliminate duplicates Z: 56 28.908 1.954 0.467 0.635 0.909 0.600 CB 1.318 56 residues pruned to eliminate duplicates Z: 18 17.716 1.846 0.598 0.594 0.882 0.588 CA 1.509 14 residues pruned to eliminate duplicates Z: 12 18.102 1.818 0.660 0.872 1.000 0.727 CB 1.318 12 residues pruned to eliminate duplicates Z: 20 12.924 1.799 0.385 0.553 0.895 0.474 CA 1.262 20 residues pruned to eliminate duplicates Z: 18 19.081 1.870 0.529 0.731 0.941 0.647 CB 1.397 18 residues pruned to eliminate duplicates Z: 18 16.908 1.840 0.570 0.627 0.941 0.647 CB 1.338 18 residues pruned to eliminate duplicates Z: 16 16.643 1.851 0.642 0.728 0.933 0.667 CB 1.234 16 residues pruned to eliminate duplicates Z: 17 17.088 1.864 0.614 0.651 0.938 0.688 CB 1.315 17 residues pruned to eliminate duplicates Z: 16 6.012 1.541 0.313 0.339 0.933 0.333 CB 0.980 16 residues pruned to eliminate duplicates Z: 6 2.884 1.540 0.123 0.367 0.800 0.800 N 1.075 6 residues pruned to eliminate duplicates Z: 10 7.928 1.922 0.365 0.331 0.889 0.667 CB 1.363 10 residues pruned to eliminate duplicates Z: 26 11.822 1.698 0.423 0.420 0.920 0.440 CB 1.156 26 residues pruned to eliminate duplicates Z: 21 6.925 1.713 0.369 0.354 0.700 0.500 CB 1.106 21 residues pruned to eliminate duplicates Z: 8 8.644 1.925 0.332 0.377 1.000 0.571 CA 1.454 8 residues pruned to eliminate duplicates Z: 9 8.251 1.866 0.488 0.279 1.000 0.625 CA 1.349 9 residues pruned to eliminate duplicates Z: 23 7.948 1.638 0.472 0.350 0.727 0.455 CB 1.138 13 residues pruned to eliminate duplicates Z: 6 3.264 1.567 0.274 0.313 1.000 0.600 CB 0.899 6 residues pruned to eliminate duplicates Z: 35 12.933 1.720 0.327 0.412 0.882 0.441 CB 1.207 41 residues pruned to eliminate duplicates Z: 10 7.118 1.519 0.504 0.677 1.000 0.556 CA 0.882 10 residues pruned to eliminate duplicates Z: 13 8.337 1.702 0.372 0.581 0.917 0.667 CA 1.039 13 residues pruned to eliminate duplicates Z: 11 7.509 1.668 0.520 0.553 0.800 0.500 CA 1.112 11 residues pruned to eliminate duplicates Z: 21 9.164 1.690 0.456 0.425 0.850 0.450 CA 1.059 21 residues pruned to eliminate duplicates Z: 14 7.576 1.635 0.436 0.557 0.769 0.538 CA 1.100 14 residues pruned to eliminate duplicates Z: 12 8.510 1.762 0.255 0.603 0.909 0.545 CA 1.156 12 residues pruned to eliminate duplicates Z: 20 10.695 1.855 0.265 0.428 0.895 0.579 CA 1.258 20 residues pruned to eliminate duplicates Z: 10 5.467 1.785 0.403 0.133 0.889 0.556 CB 1.292 10 residues pruned to eliminate duplicates Z: 8 15.107 1.920 1.013 0.579 1.000 0.857 CB 1.369 8 residues pruned to eliminate duplicates Z: 9 11.576 1.862 0.859 0.507 0.875 0.750 CB 1.342 Z: 6 3.161 1.650 0.439 0.320 0.800 0.600 CA 0.907 6 residues pruned to eliminate duplicates Z: 9 9.954 1.843 0.547 0.530 0.875 0.750 CB 1.369 9 residues pruned to eliminate duplicates Z: 9 9.898 1.866 0.417 0.510 0.875 0.625 CA 1.498 18 residues pruned to eliminate duplicates Z: 9 10.060 1.808 0.499 0.492 0.875 0.625 O 1.512 Z: 10 4.215 1.674 0.119 0.570 0.889 0.556 CB 0.788 26 residues pruned to eliminate duplicates Z: 7 2.827 1.492 0.266 0.400 0.667 0.000 CA 1.018 7 residues pruned to eliminate duplicates Z: 44 18.587 1.823 0.552 0.476 0.884 0.651 CB 1.162 44 residues pruned to eliminate duplicates Z: 33 17.812 1.898 0.612 0.418 0.906 0.469 CB 1.237 32 residues pruned to eliminate duplicates Z: 9 5.975 1.491 0.847 0.573 0.750 0.250 CB 0.953 9 residues pruned to eliminate duplicates Z: 33 15.003 1.851 0.450 0.462 0.844 0.531 CB 1.217 33 residues pruned to eliminate duplicates Z: 42 18.039 1.851 0.577 0.421 0.878 0.585 CB 1.193 42 residues pruned to eliminate duplicates Z: 11 9.175 1.817 0.672 0.590 0.800 0.700 CB 1.096 11 residues pruned to eliminate duplicates Z: 39 16.866 1.806 0.667 0.419 0.868 0.474 CB 1.139 39 residues pruned to eliminate duplicates Z: 11 10.368 1.860 0.620 0.498 1.000 0.500 CB 1.090 11 residues pruned to eliminate duplicates Z: 40 17.569 1.872 0.561 0.453 0.923 0.513 CB 1.095 40 residues pruned to eliminate duplicates Z: 50 19.018 1.833 0.623 0.433 0.837 0.469 CB 1.171 50 residues pruned to eliminate duplicates Z: 37 17.864 1.867 0.591 0.504 0.861 0.583 CB 1.160 37 residues pruned to eliminate duplicates Z: 36 17.961 1.913 0.626 0.508 0.857 0.600 CB 1.129 36 residues pruned to eliminate duplicates Z: 35 16.844 1.902 0.612 0.449 0.912 0.471 CB 1.090 35 residues pruned to eliminate duplicates Z: 29 15.438 1.824 0.641 0.398 0.893 0.679 CB 1.216 29 residues pruned to eliminate duplicates Z: 8 8.034 1.605 0.772 0.446 0.857 0.429 CA 1.316 8 residues pruned to eliminate duplicates Z: 30 14.973 1.902 0.686 0.385 0.862 0.586 CB 1.137 30 residues pruned to eliminate duplicates Z: 32 15.855 1.883 0.584 0.394 0.871 0.484 CB 1.226 32 residues pruned to eliminate duplicates Z: 36 16.210 1.872 0.750 0.379 0.857 0.429 CB 1.110 36 residues pruned to eliminate duplicates Z: 36 18.381 1.883 0.702 0.459 0.886 0.571 CB 1.141 36 residues pruned to eliminate duplicates Z: 41 17.343 1.840 0.673 0.442 0.875 0.525 CB 1.081 41 residues pruned to eliminate duplicates Z: 26 12.917 1.795 0.704 0.417 0.800 0.640 CB 1.151 26 residues pruned to eliminate duplicates Z: 30 16.650 1.914 0.766 0.400 0.793 0.483 CB 1.281 30 residues pruned to eliminate duplicates Z: 36 15.325 1.811 0.609 0.348 0.857 0.571 CB 1.222 36 residues pruned to eliminate duplicates Z: 16 10.958 1.836 0.371 0.632 0.867 0.667 CB 1.146 16 residues pruned to eliminate duplicates Z: 34 20.743 1.887 0.756 0.423 0.909 0.545 CB 1.299 34 residues pruned to eliminate duplicates Z: 28 16.534 1.888 0.564 0.436 0.852 0.556 CB 1.352 28 residues pruned to eliminate duplicates Z: 39 19.334 1.918 0.670 0.421 0.895 0.553 CB 1.189 41 residues pruned to eliminate duplicates Z: 8 10.502 1.730 0.552 0.873 0.857 0.286 CB 1.256 8 residues pruned to eliminate duplicates Z: 28 17.101 1.897 0.673 0.398 0.889 0.519 CB 1.298 28 residues pruned to eliminate duplicates Z: 39 13.586 1.803 0.544 0.345 0.868 0.421 CB 1.078 39 residues pruned to eliminate duplicates Z: 41 18.014 1.879 0.498 0.448 0.925 0.575 CB 1.154 41 residues pruned to eliminate duplicates Z: 41 20.064 1.910 0.576 0.443 0.925 0.600 CB 1.208 41 residues pruned to eliminate duplicates Z: 27 17.781 1.903 0.662 0.448 0.885 0.654 CB 1.314 27 residues pruned to eliminate duplicates Z: 36 17.113 1.865 0.622 0.396 0.857 0.514 CB 1.246 36 residues pruned to eliminate duplicates Z: 7 4.591 1.810 0.348 0.449 0.833 0.667 CB 0.971 7 residues pruned to eliminate duplicates Z: 40 18.200 1.873 0.610 0.451 0.897 0.564 CB 1.133 40 residues pruned to eliminate duplicates Z: 40 14.884 1.855 0.543 0.401 0.897 0.564 CB 1.030 40 residues pruned to eliminate duplicates Z: 18 11.416 1.816 0.232 0.589 0.882 0.647 CB 1.288 18 residues pruned to eliminate duplicates Z: 13 12.892 1.741 0.479 0.731 0.917 0.583 CB 1.281 13 residues pruned to eliminate duplicates Z: 18 11.801 1.759 0.260 0.605 0.824 0.529 CB 1.419 18 residues pruned to eliminate duplicates Z: 15 12.418 1.767 0.451 0.721 0.929 0.643 CB 1.142 15 residues pruned to eliminate duplicates Z: 39 27.677 1.914 0.637 0.609 0.974 0.658 CB 1.327 39 residues pruned to eliminate duplicates Z: 43 27.670 1.922 0.481 0.651 0.905 0.595 CB 1.441 43 residues pruned to eliminate duplicates Z: 12 16.736 1.660 0.790 0.823 1.000 0.636 CA 1.284 12 residues pruned to eliminate duplicates Z: 15 12.463 1.771 0.529 0.693 0.857 0.571 CB 1.202 16 residues pruned to eliminate duplicates Z: 13 10.341 1.660 0.387 0.773 0.917 0.667 CB 1.111 13 residues pruned to eliminate duplicates Z: 51 33.008 1.964 0.712 0.655 0.900 0.520 CB 1.336 51 residues pruned to eliminate duplicates Z: 25 10.645 1.780 0.588 0.458 0.875 0.500 CB 0.917 25 residues pruned to eliminate duplicates Z: 19 14.658 1.784 0.386 0.689 1.000 0.778 CB 1.175 19 residues pruned to eliminate duplicates Z: 43 25.835 1.869 0.667 0.604 0.929 0.643 CB 1.249 43 residues pruned to eliminate duplicates Z: 40 24.176 1.879 0.565 0.640 0.949 0.692 CB 1.217 38 residues pruned to eliminate duplicates Z: 14 9.638 1.725 0.243 0.616 0.923 0.769 CA 1.211 14 residues pruned to eliminate duplicates Z: 40 24.202 1.894 0.567 0.599 0.974 0.667 CB 1.220 40 residues pruned to eliminate duplicates Z: 59 28.512 1.881 0.695 0.540 0.845 0.534 CB 1.337 58 residues pruned to eliminate duplicates Z: 26 24.101 1.965 0.708 0.750 0.960 0.600 CA 1.197 26 residues pruned to eliminate duplicates Z: 37 19.507 1.842 0.580 0.485 0.889 0.528 CB 1.275 37 residues pruned to eliminate duplicates Z: 47 33.307 1.958 0.723 0.689 0.957 0.630 CB 1.280 47 residues pruned to eliminate duplicates Z: 33 23.787 1.914 0.559 0.613 0.906 0.688 CA 1.397 33 residues pruned to eliminate duplicates Z: 29 27.844 2.003 0.668 0.653 0.964 0.643 CA 1.417 29 residues pruned to eliminate duplicates Z: 25 19.344 1.959 0.610 0.528 0.917 0.625 CB 1.329 25 residues pruned to eliminate duplicates Z: 59 28.519 1.895 0.645 0.644 0.897 0.655 CB 1.171 59 residues pruned to eliminate duplicates Z: 29 29.086 2.063 0.714 0.718 0.929 0.607 CA 1.375 29 residues pruned to eliminate duplicates Z: 23 18.891 1.948 0.734 0.587 0.909 0.455 CB 1.207 23 residues pruned to eliminate duplicates Z: 41 29.226 2.033 0.612 0.655 0.925 0.525 CB 1.320 41 residues pruned to eliminate duplicates Z: 37 28.450 2.031 0.554 0.659 0.972 0.667 CB 1.333 37 residues pruned to eliminate duplicates Z: 45 33.351 1.972 0.742 0.698 0.955 0.659 CB 1.280 62 residues pruned to eliminate duplicates Z: 23 30.781 2.031 0.841 0.855 0.909 0.591 CA 1.425 23 residues pruned to eliminate duplicates Z: 40 29.011 2.041 0.573 0.657 0.974 0.538 CB 1.284 40 residues pruned to eliminate duplicates Z: 34 29.888 1.996 0.724 0.618 0.909 0.606 CB 1.487 34 residues pruned to eliminate duplicates Z: 41 28.488 2.005 0.666 0.657 0.900 0.600 CB 1.295 41 residues pruned to eliminate duplicates Z: 29 30.701 2.033 0.691 0.689 0.964 0.536 CB 1.472 29 residues pruned to eliminate duplicates Z: 30 28.407 2.051 0.705 0.680 0.931 0.448 CA 1.373 30 residues pruned to eliminate duplicates Z: 26 29.535 2.094 0.645 0.773 0.960 0.760 CA 1.404 26 residues pruned to eliminate duplicates Z: 97 38.053 1.966 0.648 0.606 0.896 0.604 CB 1.209 97 residues pruned to eliminate duplicates Z: 79 38.486 2.001 0.688 0.547 0.962 0.500 CB 1.282 79 residues pruned to eliminate duplicates Z: 53 27.638 1.958 0.550 0.621 0.885 0.538 CB 1.274 53 residues pruned to eliminate duplicates Z: 39 27.998 1.951 0.664 0.677 0.947 0.579 CA 1.255 39 residues pruned to eliminate duplicates Z: 83 36.005 2.023 0.572 0.554 0.902 0.524 CB 1.315 83 residues pruned to eliminate duplicates Z: 85 39.756 2.004 0.686 0.605 0.917 0.571 CB 1.267 85 residues pruned to eliminate duplicates Z: 86 36.198 1.994 0.570 0.607 0.882 0.600 CB 1.284 82 residues pruned to eliminate duplicates Z: 6 2.913 1.722 0.416 0.251 0.800 0.400 CA 0.889 6 residues pruned to eliminate duplicates Z: 77 42.983 2.033 0.721 0.610 0.921 0.592 CB 1.378 77 residues pruned to eliminate duplicates Z: 42 24.736 1.998 0.491 0.536 0.902 0.659 CB 1.387 42 residues pruned to eliminate duplicates Z: 23 17.371 2.032 0.438 0.455 0.864 0.636 CB 1.536 23 residues pruned to eliminate duplicates Z: 41 27.756 1.971 0.572 0.537 0.925 0.625 CB 1.477 41 residues pruned to eliminate duplicates Z: 45 24.571 1.986 0.490 0.530 0.909 0.614 CB 1.337 45 residues pruned to eliminate duplicates Z: 45 27.081 1.991 0.586 0.568 0.886 0.614 CB 1.366 45 residues pruned to eliminate duplicates Z: 41 24.849 1.998 0.648 0.494 0.825 0.625 CB 1.455 41 residues pruned to eliminate duplicates Z: 6 2.908 1.546 0.746 0.340 0.600 0.400 N 0.955 6 residues pruned to eliminate duplicates Z: 82 32.167 1.974 0.525 0.530 0.889 0.531 CB 1.297 82 residues pruned to eliminate duplicates Z: 61 26.846 1.914 0.612 0.481 0.900 0.633 CB 1.272 61 residues pruned to eliminate duplicates Z: 28 20.348 1.931 0.702 0.504 0.852 0.556 CB 1.394 28 residues pruned to eliminate duplicates Z: 36 29.951 2.060 0.712 0.583 0.914 0.686 CB 1.450 36 residues pruned to eliminate duplicates Z: 38 27.740 2.035 0.610 0.585 0.919 0.622 CB 1.397 38 residues pruned to eliminate duplicates Z: 41 24.220 1.952 0.564 0.501 0.925 0.625 CB 1.355 41 residues pruned to eliminate duplicates Z: 40 23.062 1.957 0.554 0.551 0.897 0.615 CB 1.288 40 residues pruned to eliminate duplicates Z: 40 25.998 1.940 0.654 0.548 0.923 0.615 CB 1.341 40 residues pruned to eliminate duplicates Z: 39 23.010 2.008 0.663 0.524 0.868 0.605 CB 1.256 39 residues pruned to eliminate duplicates Z: 37 28.100 2.006 0.623 0.558 0.944 0.694 CB 1.440 37 residues pruned to eliminate duplicates Z: 34 19.031 1.968 0.509 0.507 0.818 0.636 CB 1.354 34 residues pruned to eliminate duplicates Z: 82 39.944 2.021 0.645 0.576 0.926 0.642 CB 1.340 82 residues pruned to eliminate duplicates Z: 44 30.261 2.008 0.731 0.553 0.907 0.698 CB 1.390 44 residues pruned to eliminate duplicates Z: 53 24.747 1.973 0.610 0.527 0.865 0.596 CB 1.215 53 residues pruned to eliminate duplicates Z: 44 27.687 2.017 0.650 0.502 0.907 0.628 CB 1.395 44 residues pruned to eliminate duplicates Z: 86 39.411 1.995 0.688 0.569 0.906 0.529 CB 1.311 86 residues pruned to eliminate duplicates Z: 93 33.696 1.919 0.608 0.540 0.880 0.587 CB 1.244 93 residues pruned to eliminate duplicates Z: 21 23.253 2.017 0.772 0.719 0.950 0.750 CB 1.256 21 residues pruned to eliminate duplicates Z: 21 25.115 2.033 0.871 0.721 0.950 0.700 CB 1.272 21 residues pruned to eliminate duplicates Z: 25 18.007 1.902 0.849 0.711 0.875 0.625 CB 0.986 25 residues pruned to eliminate duplicates Z: 36 21.522 1.928 0.612 0.500 0.886 0.571 CB 1.322 36 residues pruned to eliminate duplicates Z: 45 24.088 1.975 0.490 0.484 0.932 0.636 CA 1.347 45 residues pruned to eliminate duplicates Z: 43 26.412 1.976 0.690 0.552 0.905 0.643 CB 1.282 43 residues pruned to eliminate duplicates Z: 100 39.990 1.960 0.687 0.591 0.909 0.606 CB 1.226 100 residues pruned to eliminate duplicates Z: 47 25.419 2.004 0.566 0.571 0.848 0.652 CB 1.315 47 residues pruned to eliminate duplicates Z: 49 29.156 1.964 0.726 0.575 0.896 0.625 CB 1.289 47 residues pruned to eliminate duplicates Z: 6 3.253 1.574 0.615 0.447 0.800 0.600 CB 0.755 5 residues pruned to eliminate duplicates Z: 7 4.750 1.469 0.777 0.368 1.000 0.500 CB 0.856 8 residues pruned to eliminate duplicates Z: 9 15.190 1.870 0.899 0.576 1.000 0.750 N 1.405 9 residues pruned to eliminate duplicates Z: 42 40.935 2.149 1.003 0.542 0.927 0.561 CB 1.538 42 residues pruned to eliminate duplicates Z: 8 13.753 1.871 1.214 0.747 0.857 0.429 CA 1.174 8 residues pruned to eliminate duplicates Z: 42 40.640 2.134 0.898 0.512 0.951 0.585 CB 1.628 42 residues pruned to eliminate duplicates Z: 8 15.106 1.849 0.913 0.729 1.000 0.714 CA 1.313 8 residues pruned to eliminate duplicates Z: 43 38.090 2.098 0.846 0.523 0.929 0.619 CB 1.597 43 residues pruned to eliminate duplicates Z: 33 36.487 2.131 0.895 0.558 0.969 0.594 CB 1.559 33 residues pruned to eliminate duplicates Z: 42 42.269 2.168 0.875 0.545 0.951 0.610 CA 1.633 42 residues pruned to eliminate duplicates Z: 6 4.192 1.567 0.625 0.234 1.000 0.200 CA 1.003 6 residues pruned to eliminate duplicates Z: 33 34.000 2.087 0.979 0.578 0.906 0.531 CB 1.490 33 residues pruned to eliminate duplicates Z: 40 40.635 2.167 0.891 0.565 0.949 0.641 CB 1.571 40 residues pruned to eliminate duplicates Z: 15 22.586 1.912 0.974 0.690 0.929 0.571 CB 1.448 15 residues pruned to eliminate duplicates Z: 43 37.888 2.137 0.885 0.507 0.905 0.548 CB 1.593 43 residues pruned to eliminate duplicates Z: 39 39.263 2.158 0.921 0.503 0.947 0.474 CB 1.617 39 residues pruned to eliminate duplicates Z: 40 39.345 2.165 0.740 0.568 0.949 0.590 CB 1.650 40 residues pruned to eliminate duplicates Z: 25 30.683 2.089 0.992 0.567 0.958 0.583 CB 1.471 25 residues pruned to eliminate duplicates Z: 30 34.747 2.172 0.877 0.516 0.931 0.552 CA 1.674 30 residues pruned to eliminate duplicates Z: 38 36.321 2.161 0.814 0.522 0.919 0.486 CB 1.622 38 residues pruned to eliminate duplicates Z: 35 35.809 2.114 0.921 0.522 0.941 0.412 CB 1.572 35 residues pruned to eliminate duplicates Z: 41 40.769 2.180 0.857 0.522 0.975 0.550 CA 1.599 41 residues pruned to eliminate duplicates Z: 14 24.582 2.028 0.799 0.806 1.000 0.692 CA 1.431 14 residues pruned to eliminate duplicates Z: 45 29.843 2.085 0.694 0.423 0.909 0.523 CB 1.518 45 residues pruned to eliminate duplicates Z: 42 35.843 2.142 0.755 0.475 0.976 0.512 CB 1.566 42 residues pruned to eliminate duplicates Z: 42 37.289 2.158 0.864 0.503 0.902 0.463 CB 1.600 42 residues pruned to eliminate duplicates Z: 6 6.567 1.401 0.817 0.727 1.000 0.600 CA 0.940 6 residues pruned to eliminate duplicates Z: 42 43.106 2.173 0.919 0.516 0.976 0.537 CB 1.628 42 residues pruned to eliminate duplicates Z: 6 4.769 1.676 0.866 0.287 0.800 0.400 CB 1.083 6 residues pruned to eliminate duplicates Z: 43 39.672 2.155 0.945 0.479 0.952 0.452 CB 1.566 43 residues pruned to eliminate duplicates Z: 43 35.016 2.114 0.699 0.483 0.976 0.500 CB 1.568 43 residues pruned to eliminate duplicates Z: 30 33.448 2.084 0.970 0.582 0.966 0.621 CB 1.448 30 residues pruned to eliminate duplicates Z: 52 33.499 2.091 0.907 0.465 0.843 0.510 CB 1.445 52 residues pruned to eliminate duplicates Z: 45 22.867 1.880 0.615 0.420 0.909 0.636 CB 1.358 41 residues pruned to eliminate duplicates Z: 15 13.563 1.782 0.689 0.551 0.929 0.286 CB 1.235 15 residues pruned to eliminate duplicates Z: 39 20.709 1.906 0.568 0.423 0.895 0.684 CB 1.362 39 residues pruned to eliminate duplicates Z: 8 10.269 1.840 0.532 0.559 1.000 0.857 CA 1.301 8 residues pruned to eliminate duplicates Z: 39 23.656 1.938 0.638 0.420 0.974 0.553 CB 1.349 40 residues pruned to eliminate duplicates Z: 14 9.506 1.668 0.590 0.565 1.000 0.462 CA 0.934 14 residues pruned to eliminate duplicates Z: 44 24.758 1.882 0.604 0.509 0.953 0.674 CB 1.300 38 residues pruned to eliminate duplicates Z: 11 12.032 1.589 0.881 0.571 1.000 0.400 CA 1.189 11 residues pruned to eliminate duplicates Z: 38 19.389 1.860 0.595 0.406 0.892 0.541 CB 1.329 38 residues pruned to eliminate duplicates Z: 39 24.002 1.947 0.644 0.431 0.974 0.658 CB 1.342 39 residues pruned to eliminate duplicates Z: 47 22.826 1.886 0.646 0.462 0.913 0.609 CB 1.234 47 residues pruned to eliminate duplicates Z: 50 21.258 1.868 0.657 0.400 0.857 0.449 CB 1.272 50 residues pruned to eliminate duplicates Z: 40 23.050 1.919 0.600 0.427 0.949 0.615 CB 1.367 40 residues pruned to eliminate duplicates Z: 39 25.191 1.952 0.741 0.418 0.947 0.579 CB 1.382 39 residues pruned to eliminate duplicates Z: 39 22.941 1.938 0.603 0.443 0.974 0.632 CB 1.305 39 residues pruned to eliminate duplicates Z: 33 17.352 1.861 0.669 0.325 0.875 0.656 CB 1.368 33 residues pruned to eliminate duplicates Z: 42 18.926 1.890 0.477 0.441 0.878 0.585 CB 1.281 42 residues pruned to eliminate duplicates Z: 51 20.362 1.853 0.522 0.436 0.960 0.580 CB 1.136 51 residues pruned to eliminate duplicates Z: 40 24.559 1.969 0.662 0.438 0.949 0.590 CB 1.350 40 residues pruned to eliminate duplicates Z: 83 37.000 1.957 0.723 0.495 0.866 0.585 CB 1.407 81 residues pruned to eliminate duplicates Z: 7 2.686 1.275 0.674 0.403 0.667 0.500 N 0.854 7 residues pruned to eliminate duplicates Z: 32 19.327 1.959 0.673 0.389 0.903 0.548 CB 1.319 32 residues pruned to eliminate duplicates Z: 26 18.327 1.886 0.928 0.461 0.840 0.640 CB 1.249 26 residues pruned to eliminate duplicates Z: 43 20.085 1.888 0.495 0.405 0.929 0.452 CB 1.306 43 residues pruned to eliminate duplicates Z: 41 23.465 1.918 0.683 0.439 0.925 0.625 CB 1.323 41 residues pruned to eliminate duplicates Z: 28 20.979 1.937 0.579 0.482 0.963 0.704 CB 1.395 28 residues pruned to eliminate duplicates Z: 16 14.207 1.986 0.493 0.539 0.867 0.400 CB 1.374 16 residues pruned to eliminate duplicates Z: 37 22.013 1.913 0.533 0.461 0.944 0.556 CB 1.378 37 residues pruned to eliminate duplicates Z: 35 19.884 1.918 0.704 0.473 0.882 0.559 CB 1.215 35 residues pruned to eliminate duplicates Z: 16 15.206 1.909 0.616 0.607 0.933 0.533 CB 1.232 16 residues pruned to eliminate duplicates Z: 18 15.352 1.990 0.606 0.529 0.941 0.588 CB 1.203 18 residues pruned to eliminate duplicates Z: 34 18.470 1.936 0.667 0.388 0.879 0.636 CB 1.277 34 residues pruned to eliminate duplicates Z: 40 21.663 1.941 0.696 0.410 0.923 0.692 CB 1.254 40 residues pruned to eliminate duplicates Z: 43 22.656 1.922 0.637 0.386 0.976 0.595 CB 1.284 43 residues pruned to eliminate duplicates Z: 40 23.622 1.954 0.677 0.435 0.923 0.615 CB 1.338 40 residues pruned to eliminate duplicates Z: 33 14.810 1.904 0.503 0.401 0.844 0.531 CB 1.204 33 residues pruned to eliminate duplicates Z: 31 16.691 1.918 0.694 0.317 0.900 0.433 CB 1.275 31 residues pruned to eliminate duplicates Z: 33 17.641 1.935 0.573 0.396 0.938 0.531 CB 1.218 33 residues pruned to eliminate duplicates Z: 52 19.648 1.817 0.598 0.383 0.882 0.569 CB 1.216 52 residues pruned to eliminate duplicates Z: 33 15.887 1.887 0.417 0.552 0.906 0.594 CB 1.101 33 residues pruned to eliminate duplicates Z: 24 17.078 1.869 0.758 0.535 0.870 0.565 CB 1.204 24 residues pruned to eliminate duplicates Z: 14 17.226 1.978 0.561 0.830 0.923 0.846 CB 1.261 14 residues pruned to eliminate duplicates Z: 28 23.606 2.007 0.585 0.617 0.926 0.667 CA 1.380 28 residues pruned to eliminate duplicates Z: 39 22.107 1.928 0.408 0.622 0.947 0.579 CB 1.243 39 residues pruned to eliminate duplicates Z: 30 20.074 1.982 0.575 0.566 0.966 0.552 CB 1.160 30 residues pruned to eliminate duplicates Z: 27 20.515 1.976 0.532 0.604 0.923 0.538 CB 1.304 27 residues pruned to eliminate duplicates Z: 29 21.737 2.009 0.599 0.570 0.964 0.679 CB 1.239 29 residues pruned to eliminate duplicates Z: 27 21.150 2.005 0.584 0.641 0.923 0.538 CB 1.240 27 residues pruned to eliminate duplicates Z: 28 18.892 1.993 0.484 0.550 0.889 0.481 CB 1.316 28 residues pruned to eliminate duplicates Z: 26 23.167 2.054 0.600 0.689 0.920 0.560 CB 1.289 26 residues pruned to eliminate duplicates Z: 29 18.446 1.947 0.594 0.538 0.857 0.500 CB 1.263 29 residues pruned to eliminate duplicates Z: 35 23.387 1.973 0.566 0.611 0.882 0.500 CB 1.324 35 residues pruned to eliminate duplicates Z: 30 19.155 1.972 0.581 0.568 0.966 0.483 CB 1.105 30 residues pruned to eliminate duplicates Z: 37 21.695 1.965 0.687 0.566 0.889 0.361 CB 1.151 37 residues pruned to eliminate duplicates Z: 36 20.607 1.957 0.547 0.538 0.886 0.600 CB 1.251 36 residues pruned to eliminate duplicates Z: 34 22.089 1.981 0.529 0.583 0.909 0.545 CB 1.291 34 residues pruned to eliminate duplicates Z: 34 18.972 1.941 0.716 0.583 0.818 0.576 CB 1.119 34 residues pruned to eliminate duplicates Z: 29 22.300 1.968 0.776 0.582 0.964 0.429 CB 1.155 29 residues pruned to eliminate duplicates Z: 35 24.257 1.977 0.797 0.613 0.853 0.500 CB 1.233 35 residues pruned to eliminate duplicates Z: 8 8.295 1.869 0.913 0.341 0.857 0.714 CA 1.216 8 residues pruned to eliminate duplicates Z: 20 13.580 1.853 0.516 0.444 0.895 0.579 CB 1.314 20 residues pruned to eliminate duplicates Z: 28 18.171 1.977 0.800 0.531 0.889 0.481 CB 1.073 28 residues pruned to eliminate duplicates Z: 34 22.763 1.929 0.502 0.568 0.939 0.545 CB 1.362 34 residues pruned to eliminate duplicates Z: 28 22.269 1.996 0.921 0.595 0.963 0.370 CB 1.060 28 residues pruned to eliminate duplicates Z: 8 11.789 1.972 0.344 0.695 1.000 0.429 CB 1.407 8 residues pruned to eliminate duplicates Z: 12 8.486 1.826 0.125 0.528 1.000 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 13 9.135 1.857 0.309 0.470 0.917 0.500 CB 1.221 13 residues pruned to eliminate duplicates Z: 10 8.426 1.811 0.122 0.547 1.000 0.444 CB 1.320 10 residues pruned to eliminate duplicates Z: 11 6.248 1.814 0.224 0.505 0.700 0.300 CA 1.265 11 residues pruned to eliminate duplicates Z: 12 6.344 1.840 0.270 0.454 0.818 0.455 CB 1.049 12 residues pruned to eliminate duplicates Z: 11 6.165 1.810 0.429 0.457 0.800 0.500 CB 0.985 11 residues pruned to eliminate duplicates Z: 58 26.345 1.898 0.574 0.517 0.912 0.509 CB 1.259 58 residues pruned to eliminate duplicates Z: 15 6.771 1.788 0.165 0.353 0.857 0.429 CB 1.188 15 residues pruned to eliminate duplicates Z: 39 21.380 1.855 0.464 0.583 0.895 0.447 CB 1.318 39 residues pruned to eliminate duplicates Z: 46 27.691 1.941 0.596 0.559 0.933 0.600 CB 1.347 46 residues pruned to eliminate duplicates Z: 25 21.794 1.910 0.689 0.549 0.958 0.667 CA 1.372 25 residues pruned to eliminate duplicates Z: 32 23.594 1.947 0.566 0.615 0.903 0.581 CB 1.380 32 residues pruned to eliminate duplicates Z: 28 19.592 1.908 0.758 0.514 0.815 0.630 CA 1.361 28 residues pruned to eliminate duplicates Z: 27 22.981 1.897 0.702 0.595 0.885 0.538 CB 1.441 27 residues pruned to eliminate duplicates Z: 27 20.302 1.966 0.672 0.585 0.846 0.500 CA 1.319 27 residues pruned to eliminate duplicates Z: 46 25.492 1.895 0.516 0.569 0.933 0.644 CB 1.325 46 residues pruned to eliminate duplicates Z: 15 19.978 1.989 0.945 0.624 1.000 0.786 CA 1.227 15 residues pruned to eliminate duplicates Z: 50 27.112 1.925 0.564 0.559 0.918 0.531 CB 1.323 50 residues pruned to eliminate duplicates Z: 17 17.090 1.954 0.710 0.555 0.938 0.562 CB 1.293 17 residues pruned to eliminate duplicates Z: 37 19.716 1.889 0.469 0.561 0.889 0.556 CB 1.255 37 residues pruned to eliminate duplicates Z: 33 28.001 1.987 0.656 0.601 0.969 0.562 CA 1.410 33 residues pruned to eliminate duplicates Z: 26 33.025 1.984 0.910 0.744 0.960 0.640 CB 1.459 26 residues pruned to eliminate duplicates Z: 34 23.521 1.886 0.634 0.559 0.879 0.455 CA 1.428 34 residues pruned to eliminate duplicates Z: 40 26.205 1.906 0.696 0.605 0.949 0.538 CB 1.239 40 residues pruned to eliminate duplicates Z: 83 40.826 1.971 0.743 0.543 0.915 0.537 CB 1.376 83 residues pruned to eliminate duplicates Z: 26 28.865 1.973 0.892 0.727 0.880 0.600 CB 1.432 26 residues pruned to eliminate duplicates Z: 40 26.458 1.929 0.769 0.607 0.872 0.590 CB 1.286 40 residues pruned to eliminate duplicates Z: 35 29.386 1.941 0.731 0.604 0.971 0.618 CB 1.399 35 residues pruned to eliminate duplicates Z: 34 21.829 1.884 0.809 0.518 0.848 0.515 CB 1.291 34 residues pruned to eliminate duplicates Z: 24 30.357 1.973 1.075 0.757 0.870 0.478 CB 1.415 24 residues pruned to eliminate duplicates Z: 34 27.854 1.973 0.951 0.634 0.818 0.576 CB 1.357 34 residues pruned to eliminate duplicates Z: 48 24.647 1.878 0.635 0.543 0.872 0.426 CB 1.286 48 residues pruned to eliminate duplicates Z: 47 17.462 1.886 0.505 0.474 0.848 0.478 CB 1.098 47 residues pruned to eliminate duplicates Z: 35 32.818 2.025 0.730 0.674 0.941 0.676 CB 1.454 35 residues pruned to eliminate duplicates Z: 48 29.750 1.974 0.588 0.574 0.936 0.532 CB 1.377 48 residues pruned to eliminate duplicates Z: 38 28.381 1.960 0.768 0.633 0.865 0.649 CB 1.374 38 residues pruned to eliminate duplicates Z: 36 33.810 2.013 0.755 0.667 0.971 0.629 CB 1.427 36 residues pruned to eliminate duplicates Z: 34 30.955 2.033 0.708 0.699 0.939 0.576 CB 1.378 34 residues pruned to eliminate duplicates Z: 49 29.834 1.957 0.692 0.579 0.917 0.562 CB 1.314 49 residues pruned to eliminate duplicates Z: 32 32.884 2.008 0.802 0.651 1.000 0.613 CA 1.418 32 residues pruned to eliminate duplicates Z: 83 43.743 1.983 0.768 0.605 0.939 0.573 CB 1.327 83 residues pruned to eliminate duplicates Z: 42 27.329 1.916 0.780 0.604 0.927 0.512 CB 1.223 42 residues pruned to eliminate duplicates Z: 93 37.567 1.960 0.680 0.512 0.902 0.500 CB 1.303 93 residues pruned to eliminate duplicates Z: 98 43.966 1.990 0.688 0.540 0.938 0.588 CB 1.361 98 residues pruned to eliminate duplicates Z: 7 6.685 1.684 0.396 0.600 1.000 0.833 CA 1.055 7 residues pruned to eliminate duplicates Z: 45 25.264 1.904 0.743 0.514 0.955 0.477 CB 1.185 45 residues pruned to eliminate duplicates Z: 54 24.690 1.926 0.652 0.515 0.868 0.528 CB 1.210 54 residues pruned to eliminate duplicates Z: 50 31.585 2.018 0.745 0.537 0.918 0.612 CA 1.346 50 residues pruned to eliminate duplicates Z: 50 32.142 2.014 0.737 0.551 0.939 0.653 CA 1.330 49 residues pruned to eliminate duplicates Z: 7 6.250 1.865 1.048 0.309 0.833 0.333 CA 0.991 7 residues pruned to eliminate duplicates Z: 49 31.595 2.030 0.746 0.552 0.896 0.688 CA 1.365 50 residues pruned to eliminate duplicates Z: 6 6.499 1.668 0.543 0.486 1.000 0.800 CA 1.145 Z: 7 5.950 2.018 0.407 0.423 0.667 0.667 CA 1.390 7 residues pruned to eliminate duplicates Z: 42 22.810 1.981 0.514 0.477 0.902 0.561 CA 1.346 42 residues pruned to eliminate duplicates Z: 44 30.748 2.012 0.742 0.550 0.930 0.605 CB 1.370 43 residues pruned to eliminate duplicates Z: 6 4.534 1.838 0.579 0.479 1.000 0.800 CA 0.713 6 residues pruned to eliminate duplicates Z: 49 32.648 2.035 0.688 0.545 0.938 0.625 CA 1.400 50 residues pruned to eliminate duplicates Z: 15 24.207 2.020 0.801 0.758 0.929 0.643 CA 1.523 15 residues pruned to eliminate duplicates Z: 48 31.301 2.038 0.651 0.559 0.936 0.553 CA 1.369 48 residues pruned to eliminate duplicates Z: 36 27.456 2.028 0.668 0.519 0.943 0.600 CA 1.428 36 residues pruned to eliminate duplicates Z: 64 36.460 1.997 0.753 0.537 0.889 0.508 CB 1.423 64 residues pruned to eliminate duplicates Z: 41 33.817 2.083 0.718 0.580 0.950 0.650 CA 1.456 41 residues pruned to eliminate duplicates Z: 42 32.247 2.068 0.681 0.564 0.951 0.732 CA 1.430 43 residues pruned to eliminate duplicates Z: 13 24.563 2.022 0.881 0.858 0.917 0.583 CB 1.498 13 residues pruned to eliminate duplicates Z: 50 35.087 2.033 0.779 0.539 0.959 0.469 CA 1.392 50 residues pruned to eliminate duplicates Z: 37 24.901 1.984 0.687 0.513 0.889 0.611 CA 1.377 37 residues pruned to eliminate duplicates Z: 37 25.349 1.999 0.601 0.555 0.944 0.639 CA 1.325 37 residues pruned to eliminate duplicates Z: 50 33.187 2.017 0.828 0.523 0.918 0.633 CA 1.369 50 residues pruned to eliminate duplicates Z: 56 31.953 2.027 0.664 0.502 0.927 0.655 CA 1.374 56 residues pruned to eliminate duplicates Z: 42 32.309 2.078 0.859 0.542 0.854 0.463 CB 1.468 42 residues pruned to eliminate duplicates Z: 37 27.295 2.010 0.703 0.533 0.917 0.583 CA 1.403 37 residues pruned to eliminate duplicates Z: 40 35.239 2.081 0.762 0.590 0.974 0.641 CA 1.448 40 residues pruned to eliminate duplicates Z: 43 34.525 2.033 0.777 0.573 0.952 0.643 CA 1.443 43 residues pruned to eliminate duplicates Z: 63 32.802 1.987 0.750 0.513 0.887 0.613 CB 1.334 63 residues pruned to eliminate duplicates Z: 42 31.229 2.077 0.679 0.565 0.902 0.610 CA 1.455 42 residues pruned to eliminate duplicates Z: 97 41.143 1.986 0.684 0.517 0.906 0.552 CB 1.362 97 residues pruned to eliminate duplicates Z: 36 29.902 2.041 0.696 0.564 0.971 0.629 CA 1.413 36 residues pruned to eliminate duplicates Z: 29 27.646 1.963 0.829 0.599 0.929 0.500 CA 1.426 29 residues pruned to eliminate duplicates Z: 6 6.243 1.884 0.265 0.324 1.000 0.600 CA 1.422 5 residues pruned to eliminate duplicates Z: 6 5.738 1.642 0.373 0.432 1.000 0.400 CB 1.221 6 residues pruned to eliminate duplicates Z: 17 8.189 1.734 0.512 0.293 0.812 0.312 CA 1.212 17 residues pruned to eliminate duplicates Z: 15 8.776 1.862 0.423 0.279 0.857 0.357 CB 1.325 15 residues pruned to eliminate duplicates Z: 22 9.579 1.739 0.421 0.362 0.905 0.429 CB 1.085 22 residues pruned to eliminate duplicates Z: 20 21.165 1.910 0.478 0.777 1.000 0.789 CA 1.348 20 residues pruned to eliminate duplicates Z: 15 12.424 1.864 0.545 0.458 0.929 0.571 CB 1.296 11 residues pruned to eliminate duplicates Z: 24 25.244 1.920 0.404 0.858 1.000 0.870 CA 1.438 28 residues pruned to eliminate duplicates Z: 21 20.351 1.887 0.341 0.853 0.950 0.600 CB 1.400 21 residues pruned to eliminate duplicates Z: 22 16.810 1.889 0.436 0.677 0.952 0.667 CB 1.207 19 residues pruned to eliminate duplicates Z: 24 27.149 1.967 0.497 0.846 1.000 0.739 CA 1.428 24 residues pruned to eliminate duplicates Z: 37 21.753 1.907 0.351 0.610 0.944 0.639 CB 1.343 46 residues pruned to eliminate duplicates Z: 23 25.483 1.911 0.428 0.854 1.000 0.636 CB 1.471 23 residues pruned to eliminate duplicates Z: 66 34.335 1.938 0.511 0.636 0.908 0.662 CB 1.410 88 residues pruned to eliminate duplicates Z: 24 27.194 1.961 0.500 0.885 1.000 0.826 CB 1.392 24 residues pruned to eliminate duplicates Z: 23 19.597 1.863 0.434 0.712 0.955 0.682 CB 1.352 23 residues pruned to eliminate duplicates Z: 29 23.359 1.920 0.443 0.706 0.929 0.786 CB 1.423 29 residues pruned to eliminate duplicates Z: 31 23.108 1.903 0.520 0.624 1.000 0.700 CB 1.297 31 residues pruned to eliminate duplicates Z: 20 20.342 1.989 0.442 0.780 0.947 0.789 CA 1.342 20 residues pruned to eliminate duplicates Z: 25 25.496 2.004 0.480 0.818 0.958 0.708 CA 1.390 25 residues pruned to eliminate duplicates Z: 25 27.895 1.987 0.530 0.838 1.000 0.833 CA 1.400 25 residues pruned to eliminate duplicates Z: 26 27.823 1.996 0.532 0.806 0.960 0.680 CA 1.452 26 residues pruned to eliminate duplicates Z: 32 24.399 1.939 0.525 0.693 0.968 0.645 CB 1.284 32 residues pruned to eliminate duplicates Z: 28 26.190 1.960 0.587 0.747 0.963 0.704 CB 1.349 28 residues pruned to eliminate duplicates Z: 29 24.719 1.968 0.484 0.721 0.964 0.714 CB 1.358 29 residues pruned to eliminate duplicates Z: 60 33.286 1.924 0.599 0.584 0.966 0.695 CB 1.345 60 residues pruned to eliminate duplicates Z: 52 26.011 1.904 0.492 0.506 0.922 0.588 CA 1.383 52 residues pruned to eliminate duplicates Z: 46 29.152 1.892 0.763 0.583 0.956 0.711 CB 1.259 46 residues pruned to eliminate duplicates Z: 37 27.600 1.891 0.766 0.637 0.972 0.528 CB 1.247 37 residues pruned to eliminate duplicates Z: 65 30.035 1.891 0.584 0.574 0.906 0.531 CB 1.288 65 residues pruned to eliminate duplicates Z: 33 24.613 1.943 0.558 0.666 0.938 0.656 CA 1.315 33 residues pruned to eliminate duplicates Z: 8 6.619 1.738 0.668 0.312 1.000 0.714 CB 1.063 8 residues pruned to eliminate duplicates Z: 34 26.124 1.898 0.694 0.666 0.939 0.545 CB 1.291 34 residues pruned to eliminate duplicates Z: 33 25.383 1.925 0.703 0.635 0.969 0.531 CB 1.245 33 residues pruned to eliminate duplicates Z: 38 20.240 1.857 0.540 0.589 0.865 0.595 CA 1.234 38 residues pruned to eliminate duplicates Z: 24 17.480 1.918 0.458 0.561 0.870 0.478 CA 1.413 24 residues pruned to eliminate duplicates Z: 24 18.594 1.945 0.472 0.512 0.870 0.522 CA 1.539 24 residues pruned to eliminate duplicates Z: 30 23.634 1.926 0.514 0.557 0.966 0.586 CB 1.475 30 residues pruned to eliminate duplicates Z: 35 13.812 1.775 0.326 0.352 0.941 0.529 CB 1.255 35 residues pruned to eliminate duplicates Z: 43 24.124 1.862 0.501 0.594 0.905 0.619 CB 1.345 43 residues pruned to eliminate duplicates Z: 32 22.138 1.865 0.610 0.562 0.935 0.548 CB 1.333 32 residues pruned to eliminate duplicates Z: 37 20.850 1.839 0.577 0.497 0.917 0.444 CB 1.311 37 residues pruned to eliminate duplicates Z: 32 21.675 1.866 0.601 0.516 0.935 0.581 CB 1.370 32 residues pruned to eliminate duplicates Z: 35 16.752 1.825 0.464 0.429 0.882 0.618 CB 1.312 35 residues pruned to eliminate duplicates Z: 30 23.364 1.905 0.568 0.571 0.931 0.586 CB 1.457 30 residues pruned to eliminate duplicates Z: 42 24.733 1.885 0.471 0.583 0.902 0.683 CB 1.425 42 residues pruned to eliminate duplicates Z: 30 19.266 1.867 0.538 0.510 0.897 0.517 CB 1.376 30 residues pruned to eliminate duplicates Z: 39 20.680 1.810 0.569 0.491 0.921 0.605 CB 1.294 39 residues pruned to eliminate duplicates Z: 31 27.053 1.925 0.634 0.594 0.967 0.600 CB 1.484 31 residues pruned to eliminate duplicates Z: 31 22.378 1.910 0.495 0.586 0.933 0.633 CB 1.412 31 residues pruned to eliminate duplicates Z: 32 20.919 1.858 0.493 0.547 0.935 0.548 CB 1.383 32 residues pruned to eliminate duplicates Z: 29 22.369 1.933 0.587 0.577 0.929 0.643 CB 1.378 29 residues pruned to eliminate duplicates Z: 31 21.754 1.909 0.433 0.585 0.967 0.667 CB 1.385 31 residues pruned to eliminate duplicates Z: 37 21.671 1.860 0.521 0.536 0.944 0.694 CB 1.304 37 residues pruned to eliminate duplicates Z: 40 24.561 1.922 0.462 0.611 0.897 0.692 CB 1.403 40 residues pruned to eliminate duplicates Z: 32 19.919 1.899 0.558 0.546 0.839 0.581 CB 1.378 32 residues pruned to eliminate duplicates Z: 35 20.827 1.860 0.548 0.510 0.882 0.676 CB 1.393 35 residues pruned to eliminate duplicates Z: 33 20.724 1.856 0.600 0.522 0.906 0.625 CB 1.332 33 residues pruned to eliminate duplicates Z: 35 22.746 1.900 0.569 0.569 0.824 0.588 CA 1.487 35 residues pruned to eliminate duplicates Z: 11 12.347 1.900 0.466 0.720 0.800 0.800 CA 1.437 11 residues pruned to eliminate duplicates Z: 30 21.796 1.804 0.497 0.756 1.000 0.793 CB 1.194 24 residues pruned to eliminate duplicates Z: 21 19.503 1.789 0.755 0.843 0.900 0.600 CA 1.149 21 residues pruned to eliminate duplicates Z: 25 21.640 1.754 0.687 0.836 0.958 0.833 CA 1.166 25 residues pruned to eliminate duplicates Z: 26 19.893 1.730 0.692 0.755 0.920 0.600 CA 1.177 26 residues pruned to eliminate duplicates Z: 11 10.932 1.845 0.260 0.883 1.000 0.900 CA 1.076 11 residues pruned to eliminate duplicates Z: 34 17.884 1.743 0.502 0.640 0.970 0.697 CB 1.076 31 residues pruned to eliminate duplicates Z: 22 20.586 1.784 0.683 0.839 1.000 0.667 CB 1.118 22 residues pruned to eliminate duplicates Z: 19 15.527 1.900 0.303 0.734 0.944 0.722 CA 1.268 22 residues pruned to eliminate duplicates Z: 25 18.334 1.809 0.440 0.766 0.958 0.667 CB 1.184 25 residues pruned to eliminate duplicates Z: 31 14.059 1.762 0.364 0.590 0.867 0.533 CB 1.131 31 residues pruned to eliminate duplicates Z: 29 15.453 1.745 0.323 0.599 0.929 0.536 CB 1.239 29 residues pruned to eliminate duplicates Z: 29 22.387 1.813 0.594 0.733 1.000 0.643 CB 1.187 29 residues pruned to eliminate duplicates Z: 39 21.384 1.786 0.636 0.664 0.842 0.474 CB 1.211 44 residues pruned to eliminate duplicates Z: 12 11.683 1.649 0.559 0.609 1.000 0.455 CB 1.235 18 residues pruned to eliminate duplicates Z: 12 8.505 1.644 0.199 0.717 0.909 0.455 CA 1.175 12 residues pruned to eliminate duplicates Z: 16 12.367 1.679 0.345 0.611 0.933 0.600 CB 1.364 16 residues pruned to eliminate duplicates Z: 16 11.366 1.709 0.202 0.612 0.933 0.600 CB 1.376 14 residues pruned to eliminate duplicates Z: 10 8.567 1.674 0.192 0.776 0.889 0.667 CB 1.262 10 residues pruned to eliminate duplicates Z: 16 10.522 1.670 0.343 0.570 0.867 0.467 N 1.306 16 residues pruned to eliminate duplicates Z: 12 13.682 1.630 0.693 0.769 0.909 0.545 CA 1.296 11 residues pruned to eliminate duplicates Z: 11 17.429 1.730 0.702 0.919 1.000 0.600 CA 1.319 12 residues pruned to eliminate duplicates Z: 12 13.899 1.594 0.654 0.881 0.909 0.455 CA 1.266 12 residues pruned to eliminate duplicates Z: 9 9.782 1.584 0.834 0.770 0.875 0.500 N 1.071 9 residues pruned to eliminate duplicates Z: 17 12.256 1.627 0.457 0.615 0.938 0.312 CB 1.236 17 residues pruned to eliminate duplicates Z: 20 10.611 1.630 0.376 0.565 0.895 0.368 CB 1.139 20 residues pruned to eliminate duplicates Z: 21 9.842 1.758 0.374 0.486 0.800 0.600 CB 1.155 10 residues pruned to eliminate duplicates Z: 6 2.340 1.317 0.925 0.397 0.800 0.600 CB 0.576 6 residues pruned to eliminate duplicates Z: 17 14.268 1.919 0.574 0.490 0.875 0.688 CB 1.363 39 residues pruned to eliminate duplicates Z: 39 17.627 1.888 0.338 0.510 0.895 0.632 CB 1.252 39 residues pruned to eliminate duplicates Z: 22 15.103 1.932 0.455 0.465 0.905 0.714 CA 1.343 22 residues pruned to eliminate duplicates Z: 41 25.968 1.920 0.494 0.624 0.925 0.650 CB 1.377 41 residues pruned to eliminate duplicates Z: 20 13.421 1.905 0.522 0.430 0.842 0.632 CB 1.355 20 residues pruned to eliminate duplicates Z: 20 10.254 1.885 0.155 0.405 0.947 0.632 CB 1.261 20 residues pruned to eliminate duplicates Z: 41 23.758 1.900 0.392 0.628 0.925 0.750 CA 1.362 41 residues pruned to eliminate duplicates Z: 19 11.973 1.920 0.393 0.435 0.833 0.667 CB 1.355 19 residues pruned to eliminate duplicates Z: 22 14.181 1.779 0.485 0.486 0.905 0.667 CB 1.313 22 residues pruned to eliminate duplicates Z: 33 23.525 1.946 0.493 0.597 0.969 0.688 CB 1.348 33 residues pruned to eliminate duplicates Z: 25 12.464 1.834 0.305 0.415 0.917 0.542 CB 1.267 25 residues pruned to eliminate duplicates Z: 22 16.976 1.968 0.414 0.530 0.905 0.571 CB 1.428 22 residues pruned to eliminate duplicates Z: 41 26.072 1.921 0.507 0.622 0.925 0.700 CB 1.373 41 residues pruned to eliminate duplicates Z: 23 14.254 1.921 0.395 0.505 0.818 0.773 CB 1.378 23 residues pruned to eliminate duplicates Z: 38 21.522 1.810 0.523 0.543 0.946 0.595 CB 1.301 38 residues pruned to eliminate duplicates Z: 22 16.316 1.950 0.364 0.516 0.952 0.619 CB 1.383 22 residues pruned to eliminate duplicates Z: 35 23.091 1.919 0.616 0.581 0.882 0.618 CB 1.339 35 residues pruned to eliminate duplicates Z: 41 25.696 1.905 0.534 0.593 0.925 0.625 CA 1.375 41 residues pruned to eliminate duplicates Z: 41 24.263 1.905 0.452 0.627 0.900 0.750 CA 1.367 41 residues pruned to eliminate duplicates Z: 42 29.073 1.892 0.632 0.615 0.951 0.659 CA 1.386 42 residues pruned to eliminate duplicates Z: 33 24.153 1.932 0.599 0.583 0.938 0.719 CA 1.360 33 residues pruned to eliminate duplicates Z: 35 26.140 1.891 0.795 0.567 0.941 0.559 CA 1.315 35 residues pruned to eliminate duplicates Z: 33 25.532 1.922 0.652 0.615 0.969 0.656 CB 1.316 33 residues pruned to eliminate duplicates Z: 40 20.812 1.853 0.528 0.515 0.872 0.436 CB 1.330 40 residues pruned to eliminate duplicates Z: 40 25.568 1.902 0.584 0.602 0.949 0.641 CB 1.300 40 residues pruned to eliminate duplicates Z: 29 22.931 1.830 0.693 0.676 0.964 0.679 CA 1.233 29 residues pruned to eliminate duplicates Z: 41 27.888 1.921 0.607 0.632 0.925 0.650 CB 1.364 41 residues pruned to eliminate duplicates Z: 41 28.323 1.927 0.616 0.629 0.925 0.700 CA 1.376 41 residues pruned to eliminate duplicates Z: 28 23.972 1.837 0.661 0.700 0.963 0.556 CA 1.309 28 residues pruned to eliminate duplicates Z: 28 25.879 1.890 0.734 0.717 0.926 0.519 CB 1.349 28 residues pruned to eliminate duplicates Z: 41 25.623 1.893 0.574 0.595 0.925 0.675 CB 1.343 41 residues pruned to eliminate duplicates Z: 41 29.592 1.911 0.727 0.621 0.925 0.550 CA 1.368 41 residues pruned to eliminate duplicates Z: 42 26.697 1.887 0.538 0.637 0.927 0.634 CB 1.364 42 residues pruned to eliminate duplicates Z: 41 25.291 1.905 0.589 0.631 0.900 0.600 CB 1.299 41 residues pruned to eliminate duplicates Z: 42 24.636 1.877 0.603 0.624 0.902 0.561 CB 1.261 42 residues pruned to eliminate duplicates Z: 9 6.142 1.563 0.188 0.724 0.875 0.750 CA 1.092 Z: 12 15.645 2.015 0.407 0.564 1.000 0.545 CB 1.564 12 residues pruned to eliminate duplicates Z: 18 9.859 1.744 0.362 0.396 0.824 0.529 CA 1.364 18 residues pruned to eliminate duplicates Z: 18 13.263 1.855 0.529 0.399 0.882 0.529 CB 1.429 18 residues pruned to eliminate duplicates Z: 16 13.411 1.839 0.464 0.388 0.933 0.667 N 1.551 16 residues pruned to eliminate duplicates Z: 17 13.545 1.845 0.429 0.415 0.938 0.562 CB 1.498 17 residues pruned to eliminate duplicates Z: 34 17.272 1.949 0.448 0.366 0.848 0.576 CA 1.449 34 residues pruned to eliminate duplicates Z: 13 11.876 1.981 0.366 0.452 0.917 0.500 CA 1.452 13 residues pruned to eliminate duplicates Z: 16 13.376 1.887 0.724 0.392 0.933 0.400 CA 1.275 16 residues pruned to eliminate duplicates Z: 17 12.272 1.890 0.352 0.390 1.000 0.500 CA 1.348 17 residues pruned to eliminate duplicates Z: 35 16.809 1.921 0.483 0.305 0.882 0.441 CA 1.425 35 residues pruned to eliminate duplicates Z: 16 12.759 1.899 0.332 0.477 0.867 0.667 CA 1.539 16 residues pruned to eliminate duplicates Z: 35 18.078 1.917 0.432 0.362 0.941 0.676 CA 1.391 35 residues pruned to eliminate duplicates Z: 18 13.942 1.964 0.498 0.355 0.941 0.529 CA 1.428 18 residues pruned to eliminate duplicates Z: 31 13.470 1.885 0.435 0.315 0.867 0.600 CA 1.287 31 residues pruned to eliminate duplicates Z: 37 18.323 1.893 0.523 0.363 0.861 0.417 CA 1.426 37 residues pruned to eliminate duplicates Z: 35 19.154 1.930 0.552 0.349 0.882 0.529 CA 1.464 45 residues pruned to eliminate duplicates Z: 7 4.060 1.565 0.788 0.286 0.667 0.333 O 1.130 7 residues pruned to eliminate duplicates Z: 21 13.272 1.887 0.496 0.374 0.900 0.600 CA 1.337 20 residues pruned to eliminate duplicates Z: 7 4.903 1.534 0.481 0.504 1.000 0.500 CA 0.878 7 residues pruned to eliminate duplicates Z: 19 10.220 1.829 0.484 0.272 0.833 0.278 CB 1.380 19 residues pruned to eliminate duplicates Z: 9 9.625 1.911 0.466 0.468 1.000 0.375 CB 1.255 10 residues pruned to eliminate duplicates Z: 9 5.361 1.563 0.405 0.519 0.750 0.375 N 1.130 12 residues pruned to eliminate duplicates Z: 7 8.543 1.733 0.229 0.712 1.000 0.500 CA 1.351 7 residues pruned to eliminate duplicates Z: 30 19.339 1.965 0.509 0.417 0.966 0.517 CB 1.367 46 residues pruned to eliminate duplicates Z: 12 6.552 1.770 0.350 0.455 0.727 0.273 CB 1.190 12 residues pruned to eliminate duplicates Z: 38 18.445 1.826 0.688 0.370 0.838 0.459 CB 1.350 38 residues pruned to eliminate duplicates Z: 13 9.347 1.844 0.342 0.521 0.833 0.250 CB 1.281 13 residues pruned to eliminate duplicates Z: 36 16.695 1.852 0.628 0.455 0.886 0.629 CB 1.106 36 residues pruned to eliminate duplicates Z: 31 15.317 1.920 0.492 0.450 0.800 0.567 CB 1.284 31 residues pruned to eliminate duplicates Z: 28 14.650 1.944 0.396 0.467 0.815 0.519 CB 1.319 27 residues pruned to eliminate duplicates Z: 11 6.347 1.521 0.337 0.693 0.800 0.400 CB 1.034 11 residues pruned to eliminate duplicates Z: 31 17.307 1.920 0.563 0.437 0.900 0.533 CB 1.248 31 residues pruned to eliminate duplicates Z: 23 13.791 1.888 0.604 0.403 0.864 0.500 CB 1.245 23 residues pruned to eliminate duplicates Z: 20 14.210 1.934 0.711 0.336 0.895 0.632 CB 1.318 20 residues pruned to eliminate duplicates Z: 31 18.310 1.870 0.532 0.399 0.967 0.633 CB 1.343 31 residues pruned to eliminate duplicates Z: 28 17.118 1.957 0.439 0.432 0.926 0.556 CB 1.355 28 residues pruned to eliminate duplicates Z: 18 13.823 1.967 0.520 0.358 0.941 0.647 CB 1.388 18 residues pruned to eliminate duplicates Z: 31 14.368 1.956 0.383 0.380 0.833 0.500 CB 1.323 31 residues pruned to eliminate duplicates Z: 33 16.730 1.895 0.618 0.407 0.875 0.500 CB 1.215 33 residues pruned to eliminate duplicates Z: 38 16.457 1.890 0.607 0.373 0.838 0.568 CB 1.219 38 residues pruned to eliminate duplicates Z: 37 13.435 1.824 0.321 0.369 0.833 0.361 CB 1.283 37 residues pruned to eliminate duplicates Z: 19 13.222 1.929 0.559 0.352 0.889 0.667 CB 1.368 19 residues pruned to eliminate duplicates Z: 31 15.628 1.954 0.529 0.370 0.833 0.467 CB 1.317 31 residues pruned to eliminate duplicates Z: 38 16.974 1.834 0.624 0.382 0.865 0.486 CB 1.229 38 residues pruned to eliminate duplicates Z: 30 16.502 1.953 0.475 0.429 0.828 0.621 CB 1.383 30 residues pruned to eliminate duplicates Z: 32 17.528 1.907 0.533 0.426 0.935 0.452 CB 1.243 31 residues pruned to eliminate duplicates Z: 6 3.773 1.561 -0.124 0.716 1.000 0.200 CA 1.015 6 residues pruned to eliminate duplicates Z: 11 8.887 1.860 0.465 0.503 0.900 0.500 CB 1.142 11 residues pruned to eliminate duplicates Z: 14 11.374 1.905 0.516 0.420 0.923 0.385 CA 1.286 14 residues pruned to eliminate duplicates Z: 9 12.125 2.035 0.459 0.475 1.000 0.500 CA 1.481 9 residues pruned to eliminate duplicates Z: 33 17.291 1.841 0.685 0.516 0.906 0.438 CB 1.070 45 residues pruned to eliminate duplicates Z: 11 12.981 2.012 0.633 0.416 0.900 0.300 CA 1.516 11 residues pruned to eliminate duplicates Z: 36 15.178 1.794 0.633 0.502 0.886 0.486 CB 0.987 36 residues pruned to eliminate duplicates Z: 38 13.928 1.799 0.582 0.459 0.838 0.432 CB 1.001 50 residues pruned to eliminate duplicates Z: 37 27.998 2.011 0.552 0.655 0.889 0.667 CB 1.457 37 residues pruned to eliminate duplicates Z: 36 27.146 2.042 0.534 0.651 0.886 0.686 CB 1.437 36 residues pruned to eliminate duplicates Z: 49 24.246 1.974 0.521 0.583 0.875 0.604 CB 1.229 49 residues pruned to eliminate duplicates Z: 34 20.031 1.955 0.562 0.484 0.879 0.515 CB 1.320 34 residues pruned to eliminate duplicates Z: 21 22.544 2.039 0.685 0.736 0.950 0.650 CA 1.250 21 residues pruned to eliminate duplicates Z: 29 27.451 1.991 0.680 0.698 0.964 0.679 CB 1.343 29 residues pruned to eliminate duplicates Z: 27 29.146 2.066 0.703 0.751 0.923 0.769 CA 1.407 27 residues pruned to eliminate duplicates Z: 26 30.069 2.109 0.679 0.792 0.920 0.800 CB 1.428 26 residues pruned to eliminate duplicates Z: 78 29.581 1.975 0.498 0.571 0.870 0.610 CB 1.222 78 residues pruned to eliminate duplicates Z: 26 30.813 2.089 0.766 0.786 0.960 0.800 CB 1.353 26 residues pruned to eliminate duplicates Z: 37 28.147 2.034 0.716 0.692 0.861 0.611 CB 1.310 37 residues pruned to eliminate duplicates Z: 28 27.034 2.016 0.631 0.726 0.963 0.778 CA 1.340 28 residues pruned to eliminate duplicates Z: 26 29.160 2.081 0.741 0.784 0.960 0.800 CA 1.305 26 residues pruned to eliminate duplicates Z: 27 31.020 2.067 0.723 0.738 1.000 0.654 CB 1.380 27 residues pruned to eliminate duplicates Z: 26 34.622 2.095 1.042 0.769 0.920 0.720 CB 1.386 26 residues pruned to eliminate duplicates Z: 26 35.524 2.097 0.940 0.790 0.960 0.760 CB 1.410 26 residues pruned to eliminate duplicates Z: 26 35.642 2.069 1.022 0.775 0.960 0.680 CB 1.392 26 residues pruned to eliminate duplicates Z: 28 31.351 2.057 0.803 0.722 1.000 0.704 CB 1.331 28 residues pruned to eliminate duplicates Z: 26 33.553 2.061 1.001 0.792 0.880 0.640 CA 1.431 26 residues pruned to eliminate duplicates Z: 29 27.733 1.969 0.888 0.675 1.000 0.643 CB 1.200 29 residues pruned to eliminate duplicates Z: 46 33.345 2.041 0.827 0.609 0.889 0.644 CB 1.353 46 residues pruned to eliminate duplicates Z: 27 28.880 2.017 0.948 0.711 0.885 0.615 CB 1.346 27 residues pruned to eliminate duplicates Z: 27 35.480 2.089 0.935 0.762 0.962 0.731 CB 1.418 27 residues pruned to eliminate duplicates Z: 37 34.638 2.053 0.873 0.627 0.944 0.667 CB 1.410 37 residues pruned to eliminate duplicates Z: 38 27.274 2.003 0.642 0.646 0.919 0.676 CB 1.295 38 residues pruned to eliminate duplicates Z: 26 20.773 1.970 0.930 0.570 0.840 0.480 CB 1.215 26 residues pruned to eliminate duplicates Z: 36 33.852 2.069 0.869 0.714 0.914 0.686 CB 1.333 36 residues pruned to eliminate duplicates Z: 33 28.807 2.019 0.809 0.715 0.906 0.719 CB 1.266 33 residues pruned to eliminate duplicates Z: 86 39.022 2.010 0.661 0.552 0.929 0.624 CB 1.297 85 residues pruned to eliminate duplicates Z: 6 3.538 1.568 0.861 0.291 0.600 0.400 CA 1.143 6 residues pruned to eliminate duplicates Z: 37 38.327 2.050 0.931 0.713 1.000 0.611 CB 1.330 37 residues pruned to eliminate duplicates Z: 24 12.624 1.846 0.696 0.521 0.783 0.391 CB 1.052 24 residues pruned to eliminate duplicates Z: 49 33.639 2.006 0.856 0.672 0.917 0.625 CB 1.214 49 residues pruned to eliminate duplicates Z: 76 34.952 1.980 0.704 0.547 0.907 0.640 CB 1.260 76 residues pruned to eliminate duplicates Z: 12 9.046 1.879 0.589 0.473 0.818 0.545 CB 1.147 12 residues pruned to eliminate duplicates Z: 51 25.577 1.955 0.609 0.502 0.940 0.640 CB 1.220 51 residues pruned to eliminate duplicates 1106 residues left after pruning, divided into chains as follows: A: 8 B: 9 C: 8 D: 12 E: 6 F: 37 G: 15 H: 25 I: 43 J: 42 K: 106 L: 81 M: 15 N: 18 O: 44 P: 38 Q: 101 R: 42 S: 51 T: 26 U: 120 V: 102 W: 35 X: 32 Y: 90 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 37.07 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.516, Connect. = 0.744 for dens.mod. cycle 1 = 0.300, Contrast = 0.603, Connect. = 0.769 for dens.mod. cycle 2 = 0.300, Contrast = 0.726, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 0.746, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.762, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.769, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.774, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.777, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.778, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.779, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6319 peaks > 0.5 sigma used to seed fragment search Space for about 2008 unique residues taking solvent into account 1402 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 29.516 2.069 0.592 0.887 1.000 0.750 CA 1.444 B: 14 23.871 1.850 1.108 0.831 1.000 0.692 CA 1.275 C: 12 25.543 2.044 1.075 0.872 1.000 1.000 CA 1.324 D: 22 32.989 2.038 0.786 0.871 1.000 0.714 CA 1.443 E: 14 23.728 2.017 0.773 0.844 1.000 0.846 CA 1.370 F: 11 13.359 1.937 0.772 0.858 0.900 0.600 CB 1.007 G: 17 17.282 2.098 0.686 0.471 0.938 0.312 CB 1.342 H: 14 24.078 1.971 0.971 0.825 1.000 0.615 CA 1.297 14 residues pruned to eliminate duplicates I: 12 26.518 2.119 0.867 0.881 1.000 0.909 CA 1.463 J: 21 16.850 2.011 0.666 0.586 0.900 0.700 CB 1.150 K: 32 26.999 1.999 0.883 0.551 0.871 0.484 CB 1.407 L: 13 24.284 2.095 0.752 0.858 1.000 0.833 CA 1.407 14 residues pruned to eliminate duplicates M: 12 28.778 2.095 1.136 0.862 1.000 0.727 CA 1.424 N: 14 24.090 2.015 0.853 0.887 1.000 0.923 CA 1.290 14 residues pruned to eliminate duplicates O: 13 24.786 1.957 0.867 0.880 1.000 0.917 CA 1.420 13 residues pruned to eliminate duplicates P: 13 28.174 2.102 0.879 0.833 1.000 0.833 CA 1.544 13 residues pruned to eliminate duplicates Q: 22 31.099 2.033 0.796 0.875 0.952 0.571 CB 1.419 23 residues pruned to eliminate duplicates R: 12 16.682 1.991 0.712 0.864 0.909 0.727 CB 1.189 S: 13 27.608 2.073 0.928 0.872 1.000 0.917 CA 1.454 12 residues pruned to eliminate duplicates T: 22 27.648 2.096 0.480 0.909 1.000 1.000 CB 1.380 22 residues pruned to eliminate duplicates U: 21 29.287 2.047 0.650 0.847 0.950 0.650 CB 1.515 21 residues pruned to eliminate duplicates V: 29 32.604 2.072 0.994 0.577 0.929 0.643 CB 1.491 13 residues pruned to eliminate duplicates W: 12 25.537 2.135 0.877 0.877 1.000 0.818 CA 1.396 12 residues pruned to eliminate duplicates X: 23 13.849 1.883 0.353 0.514 1.000 0.500 CB 1.143 23 residues pruned to eliminate duplicates Y: 11 24.266 2.145 0.790 0.871 1.000 0.600 CA 1.458 11 residues pruned to eliminate duplicates Z: 12 18.985 1.809 0.540 0.824 1.000 0.818 CB 1.552 Z: 13 16.808 1.762 0.601 0.733 0.917 0.500 CB 1.522 13 residues pruned to eliminate duplicates Z: 18 7.707 1.821 0.387 0.455 0.882 0.471 CB 0.878 17 residues pruned to eliminate duplicates Z: 13 23.667 1.960 0.854 0.861 1.000 0.833 CA 1.382 13 residues pruned to eliminate duplicates Z: 13 25.316 2.064 0.937 0.855 1.000 0.583 CB 1.348 11 residues pruned to eliminate duplicates Z: 14 21.070 2.021 0.604 0.858 1.000 0.692 CA 1.329 Z: 15 17.874 1.855 0.607 0.789 0.929 0.643 CA 1.339 Z: 14 16.173 1.825 0.410 0.826 1.000 0.769 CA 1.315 Z: 13 20.701 1.900 0.732 0.886 1.000 0.833 CA 1.310 18 residues pruned to eliminate duplicates Z: 13 27.455 2.088 0.857 0.846 1.000 0.833 CA 1.519 13 residues pruned to eliminate duplicates Z: 12 29.245 2.145 1.154 0.862 0.909 0.727 CA 1.542 12 residues pruned to eliminate duplicates Z: 22 26.062 2.038 0.434 0.878 1.000 0.762 CB 1.412 21 residues pruned to eliminate duplicates Z: 13 29.800 2.113 1.227 0.846 1.000 0.917 CA 1.358 13 residues pruned to eliminate duplicates Z: 33 25.469 2.001 0.776 0.500 0.938 0.750 CB 1.352 Z: 12 19.381 2.005 0.785 0.906 1.000 0.818 CB 1.161 Z: 12 27.526 2.125 0.896 0.873 1.000 0.909 CA 1.500 12 residues pruned to eliminate duplicates Z: 13 27.854 2.080 0.938 0.869 1.000 0.833 CA 1.457 13 residues pruned to eliminate duplicates Z: 12 25.842 2.013 0.979 0.890 1.000 0.818 CA 1.407 13 residues pruned to eliminate duplicates Z: 18 20.032 1.721 0.431 0.846 1.000 0.824 CA 1.466 Z: 12 25.217 2.103 0.843 0.875 1.000 1.000 CA 1.427 12 residues pruned to eliminate duplicates Z: 21 9.994 1.665 0.576 0.307 0.800 0.300 CB 1.318 10 residues pruned to eliminate duplicates Z: 24 27.653 1.940 0.532 0.865 1.000 0.696 CA 1.422 24 residues pruned to eliminate duplicates Z: 13 16.987 1.898 0.549 0.853 1.000 0.917 CA 1.233 14 residues pruned to eliminate duplicates Z: 36 16.122 1.848 0.484 0.437 0.886 0.714 CB 1.198 Z: 17 24.067 2.014 0.784 0.836 1.000 0.812 CA 1.254 Z: 23 31.445 2.079 0.597 0.868 1.000 0.727 CA 1.476 21 residues pruned to eliminate duplicates Z: 12 21.547 1.961 0.840 0.908 1.000 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 13 24.883 1.998 0.969 0.835 0.917 0.833 CB 1.492 13 residues pruned to eliminate duplicates Z: 12 16.145 1.884 0.761 0.848 0.909 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 24 29.720 2.039 0.713 0.854 1.000 0.739 CA 1.310 17 residues pruned to eliminate duplicates Z: 13 21.755 2.047 0.526 0.884 1.000 0.833 CA 1.452 14 residues pruned to eliminate duplicates Z: 14 22.066 1.965 0.845 0.838 0.923 0.615 CA 1.367 14 residues pruned to eliminate duplicates Z: 11 20.156 2.133 0.528 0.922 1.000 0.900 CB 1.375 12 residues pruned to eliminate duplicates Z: 12 28.556 2.038 0.976 0.926 1.000 0.818 CB 1.500 12 residues pruned to eliminate duplicates Z: 7 5.301 1.772 0.433 0.612 1.000 0.500 CB 0.767 Z: 12 19.724 1.807 0.838 0.889 1.000 0.818 CB 1.290 Z: 14 15.814 1.905 0.593 0.852 1.000 0.769 CA 1.070 14 residues pruned to eliminate duplicates Z: 13 15.887 1.962 1.009 0.854 0.833 0.667 CB 1.031 12 residues pruned to eliminate duplicates Z: 13 16.034 1.960 0.368 0.816 1.000 0.833 CA 1.311 12 residues pruned to eliminate duplicates Z: 24 31.235 2.050 0.782 0.864 1.000 0.826 CA 1.307 24 residues pruned to eliminate duplicates Z: 13 22.903 1.961 0.868 0.913 1.000 0.917 CA 1.278 13 residues pruned to eliminate duplicates Z: 14 19.822 1.995 0.680 0.855 1.000 0.846 CA 1.211 14 residues pruned to eliminate duplicates Z: 19 15.130 1.962 0.644 0.453 0.889 0.611 CB 1.305 Z: 9 8.983 1.820 0.242 0.572 1.000 0.750 CA 1.311 Z: 40 37.254 2.149 0.698 0.538 1.000 0.590 CA 1.574 13 residues pruned to eliminate duplicates Z: 13 16.792 1.821 0.760 0.792 0.917 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 12 19.461 2.008 0.519 0.816 1.000 0.818 CA 1.461 12 residues pruned to eliminate duplicates Z: 13 22.943 1.989 0.909 0.869 0.917 0.500 CB 1.390 13 residues pruned to eliminate duplicates Z: 12 21.559 2.032 0.703 0.872 0.909 0.636 N 1.506 12 residues pruned to eliminate duplicates Z: 13 26.076 2.022 1.265 0.843 0.917 0.667 CA 1.335 13 residues pruned to eliminate duplicates Z: 14 22.318 2.007 0.730 0.764 1.000 0.769 CA 1.410 13 residues pruned to eliminate duplicates Z: 9 7.300 1.745 0.550 0.565 0.875 0.375 CB 1.024 Z: 11 14.846 1.952 0.521 0.915 1.000 1.000 CB 1.117 11 residues pruned to eliminate duplicates Z: 11 6.373 1.504 0.496 0.601 0.800 0.500 CB 1.017 10 residues pruned to eliminate duplicates Z: 13 25.775 1.974 1.063 0.880 1.000 1.000 CA 1.323 13 residues pruned to eliminate duplicates Z: 11 23.178 2.015 1.123 0.929 1.000 0.800 CB 1.200 Z: 13 28.896 2.044 1.112 0.881 1.000 0.833 CB 1.399 15 residues pruned to eliminate duplicates Z: 12 17.475 1.989 0.784 0.914 0.909 0.727 CB 1.155 Z: 43 27.051 1.918 0.658 0.591 0.905 0.690 CA 1.329 25 residues pruned to eliminate duplicates Z: 13 20.672 1.907 0.900 0.841 1.000 0.583 CA 1.228 12 residues pruned to eliminate duplicates Z: 13 16.544 1.864 0.635 0.812 0.917 0.667 CB 1.303 13 residues pruned to eliminate duplicates Z: 11 17.674 1.825 0.341 0.893 1.000 0.900 CA 1.640 11 residues pruned to eliminate duplicates Z: 12 23.341 1.846 0.834 0.793 1.000 0.727 CB 1.607 12 residues pruned to eliminate duplicates Z: 12 18.194 1.975 0.612 0.864 1.000 0.909 CA 1.264 12 residues pruned to eliminate duplicates Z: 9 15.813 1.798 0.982 0.860 0.875 0.750 CB 1.318 9 residues pruned to eliminate duplicates Z: 14 18.473 1.835 0.523 0.893 0.923 0.769 CB 1.426 Z: 17 18.969 2.029 0.614 0.553 0.938 0.500 CB 1.467 18 residues pruned to eliminate duplicates Z: 24 26.873 1.988 0.527 0.859 1.000 0.696 CB 1.358 Z: 24 27.058 2.073 0.435 0.889 1.000 0.870 CA 1.365 24 residues pruned to eliminate duplicates Z: 13 27.074 1.964 0.746 0.913 1.000 0.833 CA 1.612 14 residues pruned to eliminate duplicates Z: 23 29.013 1.961 0.722 0.842 1.000 0.545 CA 1.365 23 residues pruned to eliminate duplicates Z: 38 23.317 1.899 0.579 0.491 0.919 0.541 CB 1.404 Z: 12 18.573 2.047 0.600 0.827 1.000 0.909 CA 1.289 12 residues pruned to eliminate duplicates Z: 14 12.484 1.693 0.402 0.857 1.000 0.846 CA 1.075 14 residues pruned to eliminate duplicates Z: 13 26.695 2.037 1.101 0.826 1.000 0.750 CA 1.358 13 residues pruned to eliminate duplicates Z: 43 33.525 2.011 0.854 0.562 0.929 0.667 CA 1.407 31 residues pruned to eliminate duplicates Z: 24 27.699 1.878 0.822 0.885 1.000 0.696 CA 1.218 24 residues pruned to eliminate duplicates Z: 13 23.056 1.976 1.244 0.770 0.917 0.417 CB 1.289 13 residues pruned to eliminate duplicates Z: 7 7.027 1.799 0.092 0.875 1.000 1.000 CB 1.063 7 residues pruned to eliminate duplicates Z: 15 10.776 1.758 0.501 0.676 0.929 0.643 CB 0.999 15 residues pruned to eliminate duplicates Z: 15 18.833 1.799 0.466 0.935 1.000 0.929 CA 1.330 15 residues pruned to eliminate duplicates Z: 14 17.419 1.820 0.669 0.873 0.923 0.846 CA 1.255 14 residues pruned to eliminate duplicates Z: 7 4.476 1.474 0.580 0.540 0.833 0.667 CB 0.905 Z: 22 31.332 2.059 0.668 0.889 0.952 0.714 CB 1.504 22 residues pruned to eliminate duplicates Z: 37 29.649 1.988 0.790 0.651 0.944 0.667 CB 1.277 35 residues pruned to eliminate duplicates Z: 11 12.927 1.905 0.626 0.920 1.000 0.900 CB 0.930 11 residues pruned to eliminate duplicates Z: 23 31.517 2.060 0.759 0.862 1.000 0.682 CB 1.362 23 residues pruned to eliminate duplicates Z: 12 22.956 2.005 0.772 0.895 1.000 0.727 CA 1.396 12 residues pruned to eliminate duplicates Z: 15 7.948 1.619 0.483 0.337 0.929 0.643 CA 1.139 Z: 12 18.723 1.885 0.486 0.868 0.909 0.818 C 1.621 12 residues pruned to eliminate duplicates Z: 12 18.253 2.050 0.516 0.823 1.000 0.727 CA 1.338 12 residues pruned to eliminate duplicates Z: 12 9.227 1.939 0.318 0.432 0.818 0.273 CB 1.428 9 residues pruned to eliminate duplicates Z: 23 27.560 2.081 0.512 0.870 1.000 0.818 CA 1.363 23 residues pruned to eliminate duplicates Z: 12 22.163 2.082 0.654 0.887 1.000 1.000 CA 1.399 12 residues pruned to eliminate duplicates Z: 35 20.004 1.892 0.694 0.455 0.794 0.588 CB 1.411 35 residues pruned to eliminate duplicates Z: 45 36.026 2.035 0.806 0.521 0.977 0.636 CB 1.482 22 residues pruned to eliminate duplicates Z: 24 26.891 1.948 0.728 0.846 0.957 0.522 CB 1.294 24 residues pruned to eliminate duplicates Z: 13 24.419 2.004 0.900 0.884 1.000 0.917 CA 1.337 13 residues pruned to eliminate duplicates Z: 28 7.470 1.608 0.451 0.468 0.815 0.444 CB 0.782 Z: 80 42.408 2.007 0.834 0.616 0.886 0.595 CB 1.311 48 residues pruned to eliminate duplicates Z: 18 15.618 1.776 0.681 0.881 0.882 0.706 CB 1.041 28 residues pruned to eliminate duplicates Z: 62 33.518 1.955 0.669 0.605 0.934 0.656 CB 1.274 46 residues pruned to eliminate duplicates Z: 22 25.127 1.902 0.927 0.823 0.905 0.619 CB 1.250 22 residues pruned to eliminate duplicates Z: 12 16.691 1.814 0.453 0.871 1.000 0.818 CA 1.393 12 residues pruned to eliminate duplicates Z: 13 18.429 2.029 0.419 0.894 1.000 0.833 CA 1.325 11 residues pruned to eliminate duplicates Z: 22 25.051 2.045 0.409 0.870 1.000 0.857 CA 1.384 22 residues pruned to eliminate duplicates Z: 14 23.367 1.897 0.672 0.916 1.000 0.692 CA 1.443 13 residues pruned to eliminate duplicates Z: 12 21.285 1.905 0.686 0.871 0.909 0.909 CA 1.604 12 residues pruned to eliminate duplicates Z: 15 18.567 1.777 0.478 0.901 1.000 0.786 CA 1.348 15 residues pruned to eliminate duplicates Z: 13 20.336 1.961 0.691 0.904 1.000 0.667 CB 1.261 13 residues pruned to eliminate duplicates Z: 14 22.181 1.912 0.881 0.861 1.000 0.769 CB 1.257 14 residues pruned to eliminate duplicates Z: 24 28.712 1.894 0.926 0.864 1.000 0.609 CB 1.203 24 residues pruned to eliminate duplicates Z: 23 36.124 2.065 0.873 0.847 1.000 0.545 CA 1.478 23 residues pruned to eliminate duplicates Z: 12 17.663 1.831 0.462 0.909 1.000 0.909 CA 1.412 12 residues pruned to eliminate duplicates Z: 44 24.309 1.989 0.508 0.534 0.907 0.581 CB 1.318 41 residues pruned to eliminate duplicates Z: 16 11.495 1.845 0.626 0.417 0.867 0.400 CA 1.245 Z: 37 25.836 2.044 0.643 0.541 0.917 0.528 CA 1.343 36 residues pruned to eliminate duplicates Z: 8 5.130 1.677 0.083 0.867 0.857 0.571 CB 0.911 Z: 12 13.948 1.800 0.662 0.892 1.000 0.727 CB 1.010 12 residues pruned to eliminate duplicates Z: 12 22.561 1.981 0.783 0.885 1.000 0.909 CA 1.391 12 residues pruned to eliminate duplicates Z: 14 23.983 2.013 0.806 0.853 0.923 0.692 CA 1.465 14 residues pruned to eliminate duplicates Z: 24 28.870 1.888 0.954 0.866 0.957 0.652 CB 1.249 24 residues pruned to eliminate duplicates Z: 23 31.463 2.067 0.599 0.866 1.000 0.773 CA 1.486 23 residues pruned to eliminate duplicates Z: 23 21.031 1.891 0.667 0.855 0.818 0.682 CB 1.282 23 residues pruned to eliminate duplicates Z: 12 18.239 1.867 0.871 0.845 1.000 0.545 CB 1.171 12 residues pruned to eliminate duplicates Z: 14 26.812 1.959 1.144 0.807 1.000 0.462 CA 1.355 14 residues pruned to eliminate duplicates Z: 13 22.953 2.070 0.476 0.880 1.000 0.833 CA 1.572 13 residues pruned to eliminate duplicates Z: 13 18.482 1.913 0.621 0.866 1.000 0.917 CA 1.260 13 residues pruned to eliminate duplicates Z: 13 21.551 1.987 0.630 0.897 1.000 0.917 CA 1.375 13 residues pruned to eliminate duplicates Z: 14 20.710 1.956 0.919 0.853 1.000 0.769 CB 1.131 14 residues pruned to eliminate duplicates Z: 26 31.443 2.064 0.859 0.594 0.920 0.520 CB 1.628 26 residues pruned to eliminate duplicates Z: 22 29.189 2.065 0.491 0.897 1.000 0.857 CA 1.481 22 residues pruned to eliminate duplicates Z: 8 6.875 1.980 0.305 0.562 0.857 0.429 CB 1.105 Z: 13 15.751 1.779 0.378 0.863 1.000 0.833 CA 1.361 13 residues pruned to eliminate duplicates Z: 14 18.815 1.816 0.975 0.838 0.923 0.769 CB 1.178 14 residues pruned to eliminate duplicates Z: 23 29.229 1.970 0.859 0.841 0.955 0.636 CB 1.330 23 residues pruned to eliminate duplicates Z: 14 22.088 1.861 0.577 0.912 1.000 0.769 CA 1.478 14 residues pruned to eliminate duplicates Z: 24 11.521 1.801 0.451 0.541 0.870 0.565 CB 1.016 24 residues pruned to eliminate duplicates Z: 21 18.818 1.926 0.538 0.833 0.950 0.700 CA 1.121 21 residues pruned to eliminate duplicates Z: 24 31.106 2.028 0.855 0.835 0.913 0.652 CB 1.415 24 residues pruned to eliminate duplicates Z: 24 26.264 1.941 0.693 0.865 0.957 0.739 CA 1.276 24 residues pruned to eliminate duplicates Z: 13 10.623 1.898 0.373 0.611 0.833 0.417 CB 1.272 13 residues pruned to eliminate duplicates Z: 22 14.498 1.832 0.659 0.424 0.905 0.619 CB 1.245 22 residues pruned to eliminate duplicates Z: 32 29.388 2.025 0.892 0.540 0.903 0.581 CB 1.467 32 residues pruned to eliminate duplicates Z: 7 9.402 1.895 0.506 0.849 1.000 0.833 CB 0.996 7 residues pruned to eliminate duplicates Z: 34 19.702 1.846 0.533 0.562 0.909 0.636 CB 1.255 13 residues pruned to eliminate duplicates Z: 23 30.167 1.973 0.894 0.865 0.864 0.636 CA 1.461 23 residues pruned to eliminate duplicates 6 0.805 1.613 -0.241 0.295 0.600 0.600 CB 0.616 ? Z: 12 25.193 2.108 0.890 0.880 1.000 0.909 CA 1.381 12 residues pruned to eliminate duplicates Z: 23 25.018 1.949 0.632 0.861 0.955 0.682 CB 1.290 23 residues pruned to eliminate duplicates Z: 15 7.867 1.841 0.086 0.627 0.857 0.714 CB 1.089 Z: 41 15.175 1.816 0.368 0.412 0.875 0.575 CB 1.209 Z: 7 6.604 1.948 0.200 0.405 0.833 0.833 CB 1.530 7 residues pruned to eliminate duplicates Z: 29 20.254 1.929 0.632 0.468 0.929 0.643 CB 1.353 29 residues pruned to eliminate duplicates Z: 6 5.306 1.790 0.840 0.459 0.600 0.600 CA 1.252 Z: 17 18.453 2.052 0.875 0.414 0.938 0.375 CB 1.400 18 residues pruned to eliminate duplicates Z: 13 19.014 1.944 0.952 0.825 0.917 0.583 CB 1.191 13 residues pruned to eliminate duplicates Z: 12 19.751 1.849 0.852 0.911 1.000 1.000 CA 1.232 12 residues pruned to eliminate duplicates Z: 13 22.210 1.955 0.445 0.927 1.000 0.833 CA 1.590 13 residues pruned to eliminate duplicates Z: 22 26.305 2.016 0.533 0.875 1.000 0.857 CA 1.351 22 residues pruned to eliminate duplicates Z: 10 6.859 1.685 0.707 0.390 0.778 0.333 CB 1.148 Z: 11 11.186 1.878 0.679 0.527 0.900 0.800 CB 1.213 11 residues pruned to eliminate duplicates Z: 6 7.485 1.908 0.665 0.491 0.800 0.800 CB 1.329 Z: 12 12.422 1.801 0.717 0.865 0.909 0.727 CB 0.976 12 residues pruned to eliminate duplicates Z: 8 9.896 1.542 0.905 0.840 1.000 0.714 CA 0.950 Z: 12 15.051 1.853 0.415 0.728 1.000 0.545 CB 1.408 12 residues pruned to eliminate duplicates Z: 13 17.472 1.929 0.814 0.819 0.917 0.750 CB 1.192 13 residues pruned to eliminate duplicates Z: 7 4.937 1.566 0.214 0.593 0.833 0.667 N 1.164 7 residues pruned to eliminate duplicates Z: 13 19.793 2.047 0.575 0.781 1.000 0.833 CA 1.383 13 residues pruned to eliminate duplicates Z: 20 11.621 1.849 0.740 0.290 0.842 0.368 CB 1.246 8 residues pruned to eliminate duplicates Z: 15 9.142 1.942 0.150 0.376 0.929 0.500 CB 1.346 Z: 12 20.231 2.000 1.028 0.924 0.909 0.818 CB 1.161 12 residues pruned to eliminate duplicates Z: 13 27.076 2.028 0.998 0.855 1.000 0.750 CB 1.423 13 residues pruned to eliminate duplicates Z: 10 7.386 1.862 0.637 0.456 0.778 0.444 CA 1.086 10 residues pruned to eliminate duplicates Z: 21 27.708 1.934 0.994 0.867 0.950 0.900 CB 1.237 21 residues pruned to eliminate duplicates Z: 10 16.321 1.871 0.374 0.910 1.000 1.000 CB 1.501 10 residues pruned to eliminate duplicates Z: 13 20.043 1.829 0.502 0.874 1.000 0.750 CA 1.533 12 residues pruned to eliminate duplicates Z: 8 8.178 1.630 0.226 0.801 1.000 0.571 CB 1.189 6 residues pruned to eliminate duplicates Z: 24 20.924 1.895 0.693 0.867 0.913 0.739 CB 1.089 24 residues pruned to eliminate duplicates Z: 30 17.499 1.916 0.566 0.361 0.862 0.517 CA 1.459 12 residues pruned to eliminate duplicates Z: 7 7.274 1.760 0.717 0.792 1.000 0.833 CB 0.761 7 residues pruned to eliminate duplicates Z: 15 17.887 1.805 0.955 0.862 1.000 0.643 CB 0.995 15 residues pruned to eliminate duplicates Z: 14 19.565 1.842 0.666 0.846 1.000 0.538 CB 1.313 14 residues pruned to eliminate duplicates Z: 24 34.401 1.975 1.114 0.872 1.000 0.565 CA 1.252 24 residues pruned to eliminate duplicates Z: 35 18.271 1.791 0.568 0.620 0.853 0.294 CB 1.168 35 residues pruned to eliminate duplicates Z: 14 25.365 1.998 1.077 0.823 1.000 0.846 CA 1.282 18 residues pruned to eliminate duplicates Z: 15 16.465 1.796 0.880 0.767 0.857 0.643 CB 1.200 15 residues pruned to eliminate duplicates Z: 44 35.973 2.093 0.780 0.507 0.930 0.535 CB 1.572 44 residues pruned to eliminate duplicates Z: 11 16.000 1.746 0.485 0.852 1.000 0.900 CA 1.444 11 residues pruned to eliminate duplicates Z: 13 8.407 1.842 0.431 0.494 0.833 0.417 CB 1.112 13 residues pruned to eliminate duplicates Z: 13 20.247 1.795 0.745 0.841 0.917 0.750 CA 1.519 13 residues pruned to eliminate duplicates Z: 23 37.573 2.005 1.071 0.878 1.000 0.591 CA 1.400 23 residues pruned to eliminate duplicates Z: 13 23.915 2.005 1.146 0.861 1.000 0.917 CA 1.179 13 residues pruned to eliminate duplicates Z: 10 16.635 1.991 1.035 0.921 1.000 0.889 CB 0.963 10 residues pruned to eliminate duplicates Z: 6 3.663 1.721 0.777 0.795 0.600 0.400 CB 0.689 6 residues pruned to eliminate duplicates Z: 23 32.223 2.050 0.758 0.870 0.955 0.636 CB 1.458 33 residues pruned to eliminate duplicates Z: 23 26.849 1.889 0.778 0.828 0.955 0.591 CB 1.344 23 residues pruned to eliminate duplicates Z: 11 20.557 2.056 0.892 0.900 1.000 1.000 CB 1.193 11 residues pruned to eliminate duplicates Z: 8 8.061 1.815 0.436 0.564 1.000 0.714 CA 1.099 8 residues pruned to eliminate duplicates Z: 8 8.240 1.816 0.503 0.511 0.857 0.571 CB 1.317 Z: 73 36.907 2.000 0.751 0.532 0.917 0.528 CB 1.313 73 residues pruned to eliminate duplicates Z: 44 21.222 1.912 0.520 0.531 0.884 0.512 CB 1.222 15 residues pruned to eliminate duplicates Z: 34 29.113 2.010 0.720 0.658 0.939 0.485 CB 1.347 24 residues pruned to eliminate duplicates Z: 12 20.629 2.062 0.644 0.809 1.000 0.727 CB 1.401 12 residues pruned to eliminate duplicates Z: 20 21.304 1.966 0.317 0.880 0.947 0.789 CB 1.444 20 residues pruned to eliminate duplicates Z: 41 32.006 2.050 0.788 0.457 0.950 0.550 CB 1.519 13 residues pruned to eliminate duplicates Z: 24 29.839 1.971 0.750 0.794 1.000 0.565 CB 1.394 24 residues pruned to eliminate duplicates Z: 22 32.773 2.036 0.739 0.893 0.952 0.762 CB 1.522 22 residues pruned to eliminate duplicates Z: 23 26.410 2.033 0.674 0.848 0.909 0.818 CB 1.351 23 residues pruned to eliminate duplicates Z: 14 9.514 1.699 0.600 0.575 0.846 0.538 CB 1.067 14 residues pruned to eliminate duplicates Z: 13 19.358 1.898 0.801 0.832 0.917 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 10 8.724 1.687 0.358 0.649 1.000 0.444 CA 1.104 10 residues pruned to eliminate duplicates Z: 9 5.503 1.625 0.806 0.422 0.750 0.500 CB 0.958 Z: 13 24.914 1.921 0.691 0.935 1.000 0.500 CB 1.543 13 residues pruned to eliminate duplicates Z: 12 16.359 1.777 0.453 0.803 1.000 0.818 CA 1.466 12 residues pruned to eliminate duplicates Z: 29 17.605 1.949 0.519 0.461 0.893 0.679 CB 1.310 27 residues pruned to eliminate duplicates Z: 10 10.294 1.836 1.069 0.448 0.778 0.667 N 1.225 10 residues pruned to eliminate duplicates Z: 19 21.728 1.906 0.667 0.731 0.944 0.556 CB 1.386 19 residues pruned to eliminate duplicates Z: 13 16.238 1.977 0.743 0.787 0.833 0.750 CA 1.268 13 residues pruned to eliminate duplicates Z: 6 2.988 1.765 0.032 0.397 1.000 0.800 CB 0.818 6 residues pruned to eliminate duplicates Z: 12 20.055 1.915 0.557 0.928 1.000 0.909 CA 1.421 12 residues pruned to eliminate duplicates Z: 20 23.642 1.697 0.711 0.846 0.947 0.632 CA 1.465 30 residues pruned to eliminate duplicates Z: 14 10.954 1.714 0.480 0.543 0.846 0.462 N 1.358 14 residues pruned to eliminate duplicates Z: 35 17.934 1.931 0.478 0.451 0.941 0.529 CB 1.204 30 residues pruned to eliminate duplicates Z: 11 13.487 1.899 0.609 0.900 0.900 0.900 CB 1.108 11 residues pruned to eliminate duplicates Z: 22 23.319 1.943 0.772 0.866 0.905 0.714 CB 1.197 22 residues pruned to eliminate duplicates Z: 14 19.979 1.810 0.913 0.764 1.000 0.615 CA 1.266 14 residues pruned to eliminate duplicates Z: 11 6.661 1.937 0.206 0.385 0.900 0.700 CB 1.132 2 residues pruned to eliminate duplicates Z: 6 6.324 1.791 0.229 0.821 1.000 0.800 CB 0.972 6 residues pruned to eliminate duplicates Z: 8 7.142 1.715 0.132 0.521 1.000 0.714 CA 1.363 Z: 11 7.853 1.599 0.544 0.543 0.900 0.600 CB 1.071 Z: 32 18.749 1.882 0.747 0.526 0.935 0.613 CB 1.067 22 residues pruned to eliminate duplicates Z: 7 9.663 1.577 0.531 0.858 1.000 0.833 CB 1.203 6 residues pruned to eliminate duplicates Z: 9 7.553 1.564 0.749 0.690 1.000 0.625 N 0.820 9 residues pruned to eliminate duplicates Z: 7 9.230 1.741 0.487 0.822 1.000 0.833 N 1.100 8 residues pruned to eliminate duplicates Z: 21 24.797 1.935 0.745 0.829 0.950 0.800 CA 1.301 21 residues pruned to eliminate duplicates Z: 8 4.418 1.534 0.106 0.355 0.857 0.429 CB 1.343 Z: 11 5.929 1.515 0.517 0.612 0.800 0.500 CB 0.917 11 residues pruned to eliminate duplicates Z: 22 23.126 1.961 0.671 0.851 0.952 0.857 CA 1.197 22 residues pruned to eliminate duplicates Z: 40 33.477 2.043 0.923 0.496 0.897 0.462 CB 1.526 40 residues pruned to eliminate duplicates Z: 11 16.835 1.905 0.665 0.898 1.000 0.900 CB 1.201 11 residues pruned to eliminate duplicates Z: 11 9.343 1.797 0.490 0.503 1.000 0.500 CB 1.100 9 residues pruned to eliminate duplicates Z: 9 5.572 1.644 0.328 0.316 0.875 0.500 CA 1.264 Z: 11 22.407 1.885 0.688 0.878 1.000 0.500 CB 1.616 11 residues pruned to eliminate duplicates Z: 10 7.357 1.797 0.105 0.878 0.889 0.778 CB 1.008 10 residues pruned to eliminate duplicates Z: 13 17.258 1.861 0.625 0.849 0.917 0.833 CA 1.332 13 residues pruned to eliminate duplicates Z: 34 18.231 1.931 0.421 0.375 0.909 0.455 CA 1.454 30 residues pruned to eliminate duplicates Z: 11 7.124 1.697 0.448 0.588 0.800 0.600 CB 1.054 Z: 23 22.338 1.964 0.383 0.898 1.000 0.909 CA 1.254 23 residues pruned to eliminate duplicates Z: 8 5.388 1.529 0.604 0.487 0.857 0.429 N 0.982 8 residues pruned to eliminate duplicates Z: 11 5.258 1.778 0.088 0.429 0.900 0.700 CB 1.029 Z: 33 20.470 1.934 0.694 0.398 0.906 0.500 CB 1.357 33 residues pruned to eliminate duplicates Z: 19 12.485 1.773 0.575 0.482 0.944 0.444 CB 1.136 20 residues pruned to eliminate duplicates Z: 22 23.073 2.029 0.426 0.856 0.952 0.810 CA 1.348 22 residues pruned to eliminate duplicates Z: 23 18.941 1.821 0.393 0.884 0.864 0.818 CB 1.332 23 residues pruned to eliminate duplicates Z: 65 28.704 1.914 0.587 0.490 0.906 0.438 CB 1.317 74 residues pruned to eliminate duplicates Z: 10 10.133 1.807 0.399 0.623 1.000 0.667 CA 1.190 10 residues pruned to eliminate duplicates Z: 27 17.247 1.868 0.682 0.425 0.846 0.538 CB 1.375 27 residues pruned to eliminate duplicates Z: 29 13.028 1.799 0.467 0.531 0.857 0.607 CB 1.056 16 residues pruned to eliminate duplicates Z: 35 15.111 1.757 0.578 0.509 0.882 0.588 CB 1.050 29 residues pruned to eliminate duplicates Z: 12 15.405 1.805 0.558 0.922 1.000 1.000 CB 1.161 12 residues pruned to eliminate duplicates Z: 14 17.649 1.776 0.618 0.783 1.000 0.692 CB 1.327 14 residues pruned to eliminate duplicates Z: 28 23.110 2.022 0.511 0.612 0.926 0.741 CB 1.414 30 residues pruned to eliminate duplicates Z: 9 8.974 1.841 0.456 0.622 0.750 0.375 CA 1.406 9 residues pruned to eliminate duplicates Z: 8 16.181 1.915 1.115 0.694 0.857 0.429 CB 1.476 8 residues pruned to eliminate duplicates Z: 15 16.840 1.809 0.661 0.848 0.929 0.857 CB 1.197 15 residues pruned to eliminate duplicates Z: 9 3.201 1.620 0.346 0.447 0.750 0.500 CB 0.730 9 residues pruned to eliminate duplicates Z: 41 28.647 1.942 0.561 0.710 0.950 0.600 CB 1.300 41 residues pruned to eliminate duplicates Z: 14 20.194 1.864 0.783 0.799 1.000 0.692 CA 1.297 22 residues pruned to eliminate duplicates Z: 22 19.767 1.677 0.762 0.828 1.000 0.571 CB 1.100 18 residues pruned to eliminate duplicates Z: 10 14.466 1.601 0.711 0.760 1.000 0.667 N 1.397 10 residues pruned to eliminate duplicates Z: 11 8.309 1.761 0.562 0.890 0.900 0.800 CB 0.763 11 residues pruned to eliminate duplicates Z: 24 20.168 1.850 0.572 0.572 0.913 0.478 CB 1.477 24 residues pruned to eliminate duplicates Z: 7 10.503 1.988 0.278 0.717 1.000 0.833 CA 1.387 9 residues pruned to eliminate duplicates Z: 11 14.333 1.877 0.448 0.907 1.000 1.000 CB 1.185 11 residues pruned to eliminate duplicates Z: 12 7.086 1.713 0.355 0.524 0.909 0.545 CB 0.989 Z: 9 7.035 1.754 0.424 0.733 0.625 0.500 N 1.293 9 residues pruned to eliminate duplicates Z: 14 13.486 1.887 0.538 0.550 0.923 0.462 CB 1.329 14 residues pruned to eliminate duplicates Z: 9 8.711 1.393 1.131 0.878 0.875 0.750 CB 0.861 9 residues pruned to eliminate duplicates Z: 58 29.922 2.030 0.611 0.503 0.895 0.614 CB 1.350 58 residues pruned to eliminate duplicates Z: 42 22.142 1.868 0.379 0.638 0.878 0.634 CB 1.343 36 residues pruned to eliminate duplicates Z: 52 25.040 1.974 0.660 0.516 0.882 0.549 CB 1.194 52 residues pruned to eliminate duplicates Z: 38 26.128 2.002 0.592 0.536 0.946 0.703 CB 1.375 38 residues pruned to eliminate duplicates Z: 49 30.944 2.051 0.742 0.530 0.896 0.604 CA 1.355 49 residues pruned to eliminate duplicates Z: 35 24.480 2.025 0.479 0.513 1.000 0.706 CB 1.383 35 residues pruned to eliminate duplicates Z: 9 10.755 1.854 0.511 0.604 0.875 0.375 CA 1.406 Z: 34 19.129 1.937 0.521 0.370 0.879 0.606 CB 1.477 33 residues pruned to eliminate duplicates Z: 38 26.698 2.022 0.749 0.552 0.919 0.541 CB 1.283 38 residues pruned to eliminate duplicates Z: 8 6.578 1.649 0.517 0.568 1.000 0.714 CA 0.930 8 residues pruned to eliminate duplicates Z: 14 11.930 1.814 0.460 0.628 0.923 0.615 CB 1.200 14 residues pruned to eliminate duplicates Z: 30 15.030 1.855 0.573 0.392 0.862 0.690 CB 1.244 30 residues pruned to eliminate duplicates Z: 12 22.492 2.026 0.693 0.923 1.000 1.000 CB 1.390 12 residues pruned to eliminate duplicates Z: 14 20.117 1.860 0.915 0.819 0.923 0.923 CB 1.287 14 residues pruned to eliminate duplicates Z: 13 18.523 2.001 0.686 0.855 1.000 0.917 CB 1.170 13 residues pruned to eliminate duplicates Z: 42 31.824 1.968 0.761 0.529 0.951 0.512 CB 1.466 42 residues pruned to eliminate duplicates Z: 23 22.415 1.935 0.591 0.880 0.955 0.773 CB 1.178 23 residues pruned to eliminate duplicates Z: 14 20.603 1.837 0.841 0.872 1.000 0.769 CA 1.232 14 residues pruned to eliminate duplicates Z: 11 8.679 1.702 0.288 0.678 0.900 0.800 CA 1.181 11 residues pruned to eliminate duplicates Z: 8 6.878 1.554 0.277 0.713 0.857 0.857 CA 1.260 8 residues pruned to eliminate duplicates Z: 37 19.340 1.863 0.464 0.409 0.917 0.361 CB 1.419 35 residues pruned to eliminate duplicates Z: 11 10.668 1.774 0.236 0.747 1.000 0.800 CB 1.233 11 residues pruned to eliminate duplicates Z: 11 13.587 2.066 0.010 0.924 1.000 1.000 CA 1.445 11 residues pruned to eliminate duplicates Z: 45 19.453 1.896 0.430 0.490 0.909 0.545 CB 1.202 45 residues pruned to eliminate duplicates Z: 23 30.745 2.094 0.547 0.876 1.000 0.864 CA 1.470 23 residues pruned to eliminate duplicates Z: 14 18.670 1.819 0.922 0.788 0.923 0.769 CB 1.246 14 residues pruned to eliminate duplicates Z: 23 28.408 1.959 0.907 0.854 1.000 0.545 CA 1.198 23 residues pruned to eliminate duplicates Z: 8 4.389 1.484 0.370 0.740 1.000 0.857 CB 0.658 Z: 18 10.116 1.676 0.762 0.489 0.882 0.588 CB 0.952 Z: 10 7.790 1.676 0.646 0.537 0.889 0.444 CB 1.021 10 residues pruned to eliminate duplicates Z: 18 13.525 1.781 0.664 0.616 0.824 0.588 CB 1.204 Z: 7 9.408 1.675 0.528 0.889 1.000 0.833 CA 1.081 Z: 22 27.574 2.061 0.482 0.906 1.000 0.905 CA 1.400 22 residues pruned to eliminate duplicates Z: 6 3.102 1.523 0.132 0.301 1.000 0.400 CB 1.004 Z: 44 31.229 1.992 0.726 0.536 0.953 0.651 CA 1.402 44 residues pruned to eliminate duplicates Z: 6 8.206 1.922 0.772 0.713 0.800 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 12 21.335 2.161 0.574 0.923 1.000 0.909 CA 1.329 12 residues pruned to eliminate duplicates Z: 14 9.223 1.678 0.625 0.588 0.769 0.615 CB 1.121 14 residues pruned to eliminate duplicates Z: 8 14.157 1.788 0.723 0.618 1.000 0.857 CA 1.554 8 residues pruned to eliminate duplicates Z: 42 19.440 1.865 0.626 0.401 0.878 0.585 CB 1.266 41 residues pruned to eliminate duplicates Z: 13 12.364 1.657 0.798 0.583 0.917 0.667 CA 1.207 Z: 13 9.388 1.777 0.386 0.673 0.833 0.583 CB 1.126 13 residues pruned to eliminate duplicates Z: 23 29.321 1.995 0.747 0.875 1.000 0.818 CA 1.305 23 residues pruned to eliminate duplicates Z: 9 4.919 1.506 0.646 0.413 0.625 0.500 O 1.230 Z: 24 24.855 1.964 0.413 0.857 1.000 0.826 CA 1.376 24 residues pruned to eliminate duplicates Z: 6 7.883 1.554 0.754 0.852 1.000 0.600 CA 0.957 Z: 15 5.832 1.897 0.173 0.511 0.786 0.357 CB 0.881 15 residues pruned to eliminate duplicates Z: 32 24.401 1.950 0.771 0.594 0.968 0.645 CB 1.199 32 residues pruned to eliminate duplicates Z: 12 8.397 1.843 0.554 0.296 0.818 0.455 CA 1.356 12 residues pruned to eliminate duplicates Z: 47 20.300 1.861 0.377 0.591 0.870 0.652 CB 1.231 42 residues pruned to eliminate duplicates Z: 23 29.014 1.986 0.747 0.866 1.000 0.773 CA 1.305 23 residues pruned to eliminate duplicates Z: 23 9.577 1.799 0.726 0.287 0.818 0.455 CB 1.021 24 residues pruned to eliminate duplicates Z: 41 21.219 1.879 0.377 0.489 0.900 0.325 CB 1.457 41 residues pruned to eliminate duplicates Z: 13 9.912 1.785 0.561 0.440 0.917 0.833 CB 1.192 Z: 41 35.945 2.145 0.909 0.460 0.900 0.425 CB 1.607 41 residues pruned to eliminate duplicates Z: 52 20.355 1.911 0.544 0.417 0.882 0.667 CB 1.194 35 residues pruned to eliminate duplicates Z: 23 17.425 2.055 0.686 0.290 0.955 0.409 CB 1.422 23 residues pruned to eliminate duplicates Z: 12 28.371 2.053 1.104 0.839 1.000 0.727 CA 1.479 12 residues pruned to eliminate duplicates Z: 12 21.260 2.039 0.655 0.908 1.000 0.818 CB 1.350 12 residues pruned to eliminate duplicates Z: 28 15.768 1.881 0.556 0.415 0.926 0.519 CB 1.223 28 residues pruned to eliminate duplicates Z: 21 16.034 2.024 0.522 0.553 0.850 0.500 CB 1.300 21 residues pruned to eliminate duplicates Z: 9 15.519 1.993 0.775 0.663 0.875 0.750 CB 1.523 9 residues pruned to eliminate duplicates Z: 12 17.671 1.905 0.583 0.900 1.000 0.909 CA 1.262 12 residues pruned to eliminate duplicates Z: 6 5.639 1.573 0.182 0.733 1.000 0.400 CA 1.100 6 residues pruned to eliminate duplicates Z: 6 3.089 1.781 0.467 0.269 0.600 0.600 CB 1.146 Z: 13 12.952 1.935 0.305 0.779 1.000 0.667 CB 1.157 13 residues pruned to eliminate duplicates Z: 13 13.649 1.839 0.285 0.847 1.000 0.917 CA 1.238 13 residues pruned to eliminate duplicates Z: 53 21.139 1.911 0.636 0.467 0.788 0.481 CB 1.230 53 residues pruned to eliminate duplicates Z: 13 15.387 1.821 0.766 0.810 0.917 0.667 CB 1.151 13 residues pruned to eliminate duplicates Z: 9 3.613 1.522 0.464 0.271 0.750 0.250 CA 0.992 Z: 7 14.957 1.926 0.758 0.770 1.000 0.833 CA 1.420 7 residues pruned to eliminate duplicates Z: 12 16.830 1.924 0.925 0.863 0.818 0.455 CB 1.229 12 residues pruned to eliminate duplicates Z: 23 28.959 1.984 0.760 0.866 0.955 0.818 CA 1.355 23 residues pruned to eliminate duplicates Z: 6 6.998 1.744 0.226 0.812 1.000 1.000 CA 1.116 6 residues pruned to eliminate duplicates Z: 8 8.894 1.912 0.232 0.683 1.000 0.714 CB 1.206 8 residues pruned to eliminate duplicates Z: 34 20.885 1.994 0.654 0.536 0.818 0.667 CB 1.300 14 residues pruned to eliminate duplicates Z: 8 10.544 1.887 0.500 0.720 1.000 0.714 CB 1.154 8 residues pruned to eliminate duplicates Z: 35 15.986 1.799 0.469 0.506 0.912 0.559 CB 1.131 35 residues pruned to eliminate duplicates Z: 14 19.671 1.853 0.518 0.899 1.000 0.923 CA 1.386 14 residues pruned to eliminate duplicates Z: 6 2.602 1.381 0.766 0.436 0.800 0.400 N 0.637 Z: 15 16.970 1.866 0.639 0.798 0.929 0.929 CA 1.230 15 residues pruned to eliminate duplicates Z: 36 19.767 1.908 0.675 0.366 0.857 0.457 CB 1.408 32 residues pruned to eliminate duplicates Z: 13 24.030 1.998 1.075 0.824 1.000 0.583 CB 1.264 13 residues pruned to eliminate duplicates Z: 23 27.611 2.053 0.470 0.889 1.000 0.727 CA 1.404 23 residues pruned to eliminate duplicates Z: 7 5.275 1.622 0.384 0.690 1.000 0.833 CB 0.806 7 residues pruned to eliminate duplicates Z: 13 19.257 1.884 0.735 0.870 1.000 0.917 CA 1.241 13 residues pruned to eliminate duplicates Z: 16 6.781 1.868 0.208 0.598 0.800 0.467 CB 0.883 16 residues pruned to eliminate duplicates Z: 34 23.901 1.906 0.556 0.661 0.909 0.606 CA 1.329 26 residues pruned to eliminate duplicates Z: 18 19.286 2.129 0.591 0.456 0.882 0.471 CB 1.638 18 residues pruned to eliminate duplicates Z: 38 29.127 1.993 0.752 0.569 0.946 0.622 CB 1.356 38 residues pruned to eliminate duplicates Z: 36 22.441 1.952 0.719 0.476 0.914 0.600 CB 1.267 36 residues pruned to eliminate duplicates Z: 23 15.861 2.014 0.738 0.389 0.818 0.455 CB 1.327 23 residues pruned to eliminate duplicates Z: 43 33.324 2.050 0.874 0.547 0.952 0.595 CA 1.341 43 residues pruned to eliminate duplicates Z: 42 31.085 2.046 0.809 0.530 0.927 0.463 CB 1.374 43 residues pruned to eliminate duplicates Z: 6 8.728 1.963 0.032 0.808 1.000 1.000 CA 1.474 7 residues pruned to eliminate duplicates Z: 27 14.630 1.847 0.548 0.503 0.846 0.538 CB 1.182 27 residues pruned to eliminate duplicates Z: 21 11.098 1.633 0.501 0.374 0.900 0.550 CB 1.287 17 residues pruned to eliminate duplicates Z: 39 20.315 1.887 0.588 0.457 0.921 0.553 CB 1.248 39 residues pruned to eliminate duplicates Z: 41 21.743 1.959 0.565 0.539 0.850 0.650 CB 1.270 34 residues pruned to eliminate duplicates Z: 12 18.898 1.806 0.648 0.798 1.000 0.727 CA 1.475 12 residues pruned to eliminate duplicates Z: 22 23.442 1.973 0.596 0.853 1.000 0.762 CA 1.200 22 residues pruned to eliminate duplicates Z: 6 6.768 1.562 0.301 0.688 1.000 0.800 O 1.254 Z: 29 24.767 1.954 0.552 0.729 0.929 0.714 CA 1.352 29 residues pruned to eliminate duplicates Z: 8 4.790 1.689 0.602 0.503 1.000 0.714 CB 0.667 8 residues pruned to eliminate duplicates Z: 6 3.517 1.507 0.128 0.587 0.800 0.600 CB 1.065 Z: 13 24.945 1.924 1.043 0.813 1.000 0.583 CA 1.396 13 residues pruned to eliminate duplicates Z: 29 18.691 1.843 0.892 0.542 0.893 0.607 CB 1.088 29 residues pruned to eliminate duplicates Z: 7 2.176 1.548 0.137 0.467 0.667 0.500 CB 0.782 7 residues pruned to eliminate duplicates Z: 9 4.600 1.707 0.270 0.404 0.750 0.625 CB 1.107 Z: 10 13.984 1.974 0.537 0.931 1.000 1.000 CB 1.073 10 residues pruned to eliminate duplicates Z: 14 23.114 1.950 0.998 0.834 0.923 0.769 CA 1.336 14 residues pruned to eliminate duplicates Z: 6 6.409 1.761 0.572 0.465 1.000 0.800 CB 1.072 Z: 26 30.289 1.884 0.796 0.853 0.960 0.760 CB 1.379 26 residues pruned to eliminate duplicates Z: 14 15.610 1.887 0.531 0.826 1.000 0.769 CA 1.130 14 residues pruned to eliminate duplicates Z: 20 22.142 1.959 0.614 0.850 0.895 0.842 CA 1.330 20 residues pruned to eliminate duplicates Z: 8 11.763 1.882 0.917 0.490 1.000 1.000 CB 1.245 Z: 33 19.316 1.827 0.397 0.628 0.875 0.719 CB 1.355 33 residues pruned to eliminate duplicates Z: 36 18.738 1.888 0.624 0.454 0.886 0.571 CB 1.223 36 residues pruned to eliminate duplicates Z: 25 17.653 2.007 0.635 0.430 0.875 0.583 CB 1.349 25 residues pruned to eliminate duplicates Z: 12 18.928 1.976 0.901 0.930 0.909 0.818 CB 1.169 12 residues pruned to eliminate duplicates Z: 14 11.348 1.816 0.250 0.551 1.000 0.308 CB 1.319 14 residues pruned to eliminate duplicates Z: 19 15.013 1.843 0.418 0.690 0.944 0.667 CB 1.204 18 residues pruned to eliminate duplicates Z: 24 22.612 1.938 0.586 0.794 0.913 0.739 CA 1.298 24 residues pruned to eliminate duplicates Z: 9 5.501 1.597 0.412 0.609 0.750 0.250 CA 1.037 9 residues pruned to eliminate duplicates Z: 49 27.480 1.927 0.625 0.575 0.938 0.562 CB 1.257 73 residues pruned to eliminate duplicates Z: 22 28.545 1.951 0.813 0.819 1.000 0.667 CB 1.334 22 residues pruned to eliminate duplicates Z: 15 19.537 1.883 0.954 0.839 0.857 0.571 CA 1.236 15 residues pruned to eliminate duplicates Z: 13 18.006 1.843 0.706 0.848 1.000 0.750 CB 1.227 13 residues pruned to eliminate duplicates Z: 22 15.785 1.704 0.476 0.822 0.952 0.619 CB 1.088 22 residues pruned to eliminate duplicates Z: 9 4.957 1.644 0.107 0.752 0.750 0.750 CB 1.026 9 residues pruned to eliminate duplicates Z: 6 8.661 1.783 0.435 0.884 1.000 1.000 CA 1.094 6 residues pruned to eliminate duplicates Z: 37 20.145 1.863 0.402 0.641 0.889 0.750 CA 1.267 34 residues pruned to eliminate duplicates Z: 10 10.797 1.763 0.804 0.888 1.000 0.889 CB 0.816 Z: 22 16.815 1.734 0.716 0.864 0.905 0.619 CB 0.999 22 residues pruned to eliminate duplicates Z: 21 27.287 2.084 0.400 0.866 1.000 0.700 CA 1.531 21 residues pruned to eliminate duplicates Z: 19 9.068 1.906 0.515 0.391 0.833 0.444 CB 0.996 19 residues pruned to eliminate duplicates Z: 18 14.249 1.763 0.508 0.638 0.882 0.647 CB 1.294 17 residues pruned to eliminate duplicates Z: 8 6.400 1.571 0.755 0.618 0.714 0.429 CB 1.099 8 residues pruned to eliminate duplicates Z: 8 7.573 1.760 0.424 0.725 0.857 0.429 CB 1.088 8 residues pruned to eliminate duplicates Z: 11 14.352 1.910 0.648 0.921 1.000 0.800 CB 1.015 11 residues pruned to eliminate duplicates Z: 21 19.879 1.987 0.327 0.847 0.950 0.750 CB 1.318 21 residues pruned to eliminate duplicates Z: 30 29.541 1.964 0.910 0.582 0.966 0.517 CB 1.399 30 residues pruned to eliminate duplicates Z: 20 13.810 1.767 0.386 0.631 0.947 0.737 CB 1.207 20 residues pruned to eliminate duplicates Z: 13 11.979 1.624 0.479 0.825 1.000 0.667 CB 1.086 13 residues pruned to eliminate duplicates Z: 41 15.136 1.851 0.555 0.414 0.825 0.500 CB 1.102 41 residues pruned to eliminate duplicates Z: 13 19.491 1.792 0.797 0.850 1.000 0.667 CA 1.294 13 residues pruned to eliminate duplicates Z: 28 12.230 1.822 0.507 0.399 0.778 0.593 CB 1.226 28 residues pruned to eliminate duplicates Z: 41 31.065 2.038 0.845 0.491 0.925 0.575 CB 1.425 41 residues pruned to eliminate duplicates Z: 7 4.425 1.678 0.598 0.388 0.667 0.667 CB 1.137 Z: 7 14.277 1.976 0.675 0.774 1.000 1.000 CB 1.382 7 residues pruned to eliminate duplicates Z: 8 4.437 1.785 0.539 0.264 0.714 0.714 CA 1.119 8 residues pruned to eliminate duplicates Z: 12 12.667 1.861 1.012 0.555 0.909 0.727 CB 1.063 12 residues pruned to eliminate duplicates Z: 16 13.933 1.984 0.568 0.491 0.867 0.733 CB 1.347 16 residues pruned to eliminate duplicates Z: 12 20.167 2.002 0.772 0.892 1.000 0.818 CA 1.231 12 residues pruned to eliminate duplicates Z: 34 27.846 2.043 0.760 0.501 0.909 0.515 CB 1.481 36 residues pruned to eliminate duplicates Z: 23 24.347 2.022 0.629 0.854 1.000 0.818 CA 1.164 23 residues pruned to eliminate duplicates Z: 12 8.916 1.653 0.316 0.867 1.000 1.000 CB 0.904 11 residues pruned to eliminate duplicates Z: 7 3.029 1.405 0.260 0.432 0.667 0.500 N 1.125 Z: 35 25.180 2.026 0.594 0.517 0.941 0.618 CB 1.397 35 residues pruned to eliminate duplicates Z: 22 17.939 1.989 0.192 0.870 1.000 0.857 CA 1.206 22 residues pruned to eliminate duplicates Z: 51 25.250 1.879 0.577 0.579 0.980 0.560 CB 1.140 46 residues pruned to eliminate duplicates Z: 12 18.979 2.074 0.596 0.874 1.000 0.909 CA 1.258 12 residues pruned to eliminate duplicates Z: 7 12.683 1.553 0.773 0.862 1.000 0.667 CA 1.380 7 residues pruned to eliminate duplicates Z: 13 12.384 1.767 0.592 0.496 0.917 0.500 CA 1.392 13 residues pruned to eliminate duplicates Z: 16 12.911 1.700 0.579 0.804 0.867 0.600 CA 1.098 16 residues pruned to eliminate duplicates Z: 42 31.823 2.029 0.886 0.485 0.902 0.610 CB 1.461 42 residues pruned to eliminate duplicates Z: 7 8.343 1.834 0.630 0.566 1.000 0.500 CB 1.069 9 residues pruned to eliminate duplicates Z: 11 6.445 1.597 0.790 0.382 0.700 0.400 CB 1.155 Z: 17 14.871 1.816 0.677 0.694 0.812 0.625 CB 1.258 17 residues pruned to eliminate duplicates Z: 6 7.914 1.767 0.377 0.842 1.000 0.600 CB 1.083 6 residues pruned to eliminate duplicates Z: 41 29.708 2.002 0.809 0.481 0.925 0.425 CB 1.429 41 residues pruned to eliminate duplicates Z: 35 16.191 1.852 0.519 0.380 0.882 0.529 CA 1.272 35 residues pruned to eliminate duplicates Z: 8 4.822 1.720 0.562 0.630 0.571 0.429 O 1.051 8 residues pruned to eliminate duplicates Z: 13 12.507 1.725 0.374 0.801 0.917 0.583 CB 1.278 13 residues pruned to eliminate duplicates Z: 14 20.779 1.643 0.829 0.825 1.000 0.692 CA 1.447 14 residues pruned to eliminate duplicates Z: 30 18.707 1.963 0.554 0.441 0.931 0.586 CA 1.299 30 residues pruned to eliminate duplicates Z: 20 14.492 1.818 0.606 0.524 0.842 0.474 CB 1.320 19 residues pruned to eliminate duplicates Z: 22 17.460 1.888 0.686 0.817 0.810 0.524 CB 1.122 22 residues pruned to eliminate duplicates Z: 45 25.272 1.875 0.807 0.553 0.841 0.432 CB 1.270 45 residues pruned to eliminate duplicates Z: 25 21.693 1.986 0.803 0.429 0.917 0.542 CB 1.452 25 residues pruned to eliminate duplicates Z: 21 10.895 1.776 0.551 0.472 0.800 0.500 CB 1.137 7 residues pruned to eliminate duplicates Z: 7 10.908 1.759 0.612 0.851 1.000 0.833 CB 1.163 7 residues pruned to eliminate duplicates Z: 10 5.573 1.670 0.356 0.777 0.778 0.667 N 0.826 10 residues pruned to eliminate duplicates Z: 11 17.296 1.934 0.504 0.907 1.000 1.000 CA 1.337 12 residues pruned to eliminate duplicates Z: 11 14.393 1.918 0.462 0.896 1.000 0.900 CA 1.163 11 residues pruned to eliminate duplicates Z: 6 4.029 1.861 0.232 0.446 0.800 0.200 CB 1.039 6 residues pruned to eliminate duplicates Z: 9 11.058 1.516 0.804 0.764 1.000 0.500 CB 1.131 11 residues pruned to eliminate duplicates Z: 8 5.018 1.807 0.209 0.337 0.857 0.714 CB 1.211 8 residues pruned to eliminate duplicates Z: 9 2.930 1.667 0.519 0.287 0.500 0.375 CB 1.038 Z: 8 3.260 1.496 0.031 0.314 0.857 0.571 O 1.145 Z: 13 6.641 1.661 0.250 0.465 0.917 0.583 CB 1.043 13 residues pruned to eliminate duplicates Z: 11 20.180 1.934 0.787 0.927 1.000 0.900 CB 1.294 11 residues pruned to eliminate duplicates Z: 27 12.447 1.764 0.536 0.481 0.808 0.577 CB 1.137 27 residues pruned to eliminate duplicates Z: 6 11.099 1.869 0.654 0.870 1.000 1.000 CA 1.172 11 residues pruned to eliminate duplicates Z: 24 21.434 1.833 0.420 0.844 0.957 0.783 CA 1.336 24 residues pruned to eliminate duplicates Z: 28 17.390 1.933 0.514 0.457 0.889 0.593 CA 1.345 28 residues pruned to eliminate duplicates Z: 8 3.552 1.392 0.466 0.328 0.714 0.429 CA 1.112 8 residues pruned to eliminate duplicates Z: 7 8.293 1.586 0.700 0.786 0.833 0.333 CB 1.171 7 residues pruned to eliminate duplicates Z: 13 6.560 1.699 0.576 0.425 0.750 0.500 CA 1.020 13 residues pruned to eliminate duplicates Z: 11 10.262 1.965 0.446 0.546 0.800 0.400 N 1.364 11 residues pruned to eliminate duplicates Z: 6 4.522 1.372 0.425 0.459 1.000 0.800 C 1.079 Z: 6 2.820 1.625 0.030 0.428 0.800 0.800 CB 1.015 Z: 8 4.330 1.711 0.413 0.417 0.714 0.571 CB 1.034 8 residues pruned to eliminate duplicates Z: 25 27.966 2.060 0.698 0.785 0.917 0.833 CA 1.385 25 residues pruned to eliminate duplicates Z: 8 3.696 1.441 0.240 0.467 0.857 0.714 CB 0.943 Z: 6 7.902 1.754 0.749 0.619 1.000 1.000 N 1.030 Z: 21 16.204 1.994 0.710 0.433 0.900 0.750 CB 1.266 21 residues pruned to eliminate duplicates Z: 41 40.696 2.130 0.994 0.509 0.975 0.450 CB 1.540 43 residues pruned to eliminate duplicates Z: 16 10.651 1.936 0.521 0.414 0.933 0.333 CA 1.095 16 residues pruned to eliminate duplicates Z: 12 20.726 2.059 0.597 0.884 1.000 0.909 CA 1.374 12 residues pruned to eliminate duplicates Z: 13 14.476 1.757 0.507 0.903 1.000 0.833 CB 1.125 13 residues pruned to eliminate duplicates Z: 12 6.999 1.639 0.375 0.631 0.818 0.636 CA 1.011 Z: 12 20.392 1.772 1.153 0.897 1.000 0.727 CA 1.154 12 residues pruned to eliminate duplicates Z: 18 15.366 1.787 0.499 0.673 0.941 0.588 CB 1.260 18 residues pruned to eliminate duplicates Z: 11 6.269 1.693 0.671 0.447 0.600 0.400 CA 1.233 11 residues pruned to eliminate duplicates Z: 6 4.703 1.472 0.607 0.491 1.000 0.400 CA 0.897 Z: 20 9.648 1.850 0.537 0.273 0.895 0.579 CB 1.126 20 residues pruned to eliminate duplicates Z: 6 2.206 1.331 0.281 0.415 0.800 0.400 N 0.790 6 residues pruned to eliminate duplicates Z: 7 7.683 1.675 0.651 0.823 0.833 0.833 CA 1.029 6 residues pruned to eliminate duplicates Z: 40 21.973 1.975 0.710 0.404 0.897 0.564 CB 1.284 40 residues pruned to eliminate duplicates Z: 9 5.571 1.713 0.446 0.444 1.000 0.750 CB 0.843 Z: 6 2.744 1.607 0.269 0.269 0.800 0.200 CB 0.979 6 residues pruned to eliminate duplicates Z: 12 13.537 1.750 0.642 0.708 1.000 0.727 CB 1.176 11 residues pruned to eliminate duplicates Z: 13 21.551 1.889 0.893 0.884 1.000 0.917 CB 1.257 13 residues pruned to eliminate duplicates Z: 9 11.086 1.742 0.397 0.891 0.875 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 38 17.533 1.836 0.619 0.418 0.865 0.595 CB 1.222 32 residues pruned to eliminate duplicates Z: 6 3.170 1.659 0.451 0.458 0.800 0.400 CB 0.769 6 residues pruned to eliminate duplicates Z: 14 12.927 1.555 0.575 0.824 1.000 0.692 N 1.106 14 residues pruned to eliminate duplicates Z: 38 28.630 2.024 0.611 0.605 0.919 0.784 CB 1.422 38 residues pruned to eliminate duplicates Z: 34 16.243 1.839 0.802 0.323 0.879 0.424 CB 1.179 34 residues pruned to eliminate duplicates Z: 14 19.147 1.931 0.879 0.623 0.923 0.538 CB 1.413 16 residues pruned to eliminate duplicates Z: 10 4.530 1.516 0.284 0.283 0.778 0.444 N 1.273 Z: 36 24.470 2.017 0.737 0.498 0.857 0.714 CB 1.380 36 residues pruned to eliminate duplicates Z: 23 31.960 2.083 0.702 0.865 1.000 0.818 CB 1.408 23 residues pruned to eliminate duplicates Z: 15 6.040 1.776 -0.041 0.415 1.000 0.500 CB 1.036 15 residues pruned to eliminate duplicates Z: 7 10.202 1.842 0.810 0.660 0.833 0.500 CB 1.293 7 residues pruned to eliminate duplicates Z: 22 17.006 1.745 0.439 0.852 1.000 0.619 CB 1.094 22 residues pruned to eliminate duplicates Z: 14 17.105 1.840 0.861 0.860 0.923 0.692 CB 1.103 14 residues pruned to eliminate duplicates Z: 33 31.858 2.060 0.751 0.575 0.969 0.625 CA 1.499 33 residues pruned to eliminate duplicates Z: 41 21.180 1.939 0.733 0.477 0.800 0.575 CB 1.275 41 residues pruned to eliminate duplicates Z: 35 23.175 1.957 0.710 0.499 0.882 0.588 CB 1.348 35 residues pruned to eliminate duplicates Z: 13 34.456 2.118 1.363 0.929 1.000 0.833 CA 1.391 13 residues pruned to eliminate duplicates Z: 13 14.080 1.913 0.483 0.661 1.000 0.667 CB 1.233 13 residues pruned to eliminate duplicates Z: 6 4.375 1.684 0.578 0.844 1.000 0.600 CA 0.548 6 residues pruned to eliminate duplicates Z: 7 9.628 1.763 0.998 0.726 0.833 0.667 CA 1.092 7 residues pruned to eliminate duplicates Z: 13 31.317 2.082 1.340 0.878 1.000 0.750 CA 1.347 13 residues pruned to eliminate duplicates Z: 14 19.324 1.791 0.831 0.850 0.923 0.846 CA 1.312 18 residues pruned to eliminate duplicates Z: 23 15.374 1.947 0.518 0.446 0.864 0.500 CB 1.357 23 residues pruned to eliminate duplicates Z: 7 5.579 1.715 0.274 0.825 0.833 0.833 CB 0.945 7 residues pruned to eliminate duplicates Z: 42 42.420 2.145 0.895 0.547 1.000 0.610 CB 1.557 40 residues pruned to eliminate duplicates Z: 22 17.035 1.942 0.625 0.467 0.952 0.619 CB 1.279 22 residues pruned to eliminate duplicates Z: 13 13.233 1.843 0.737 0.816 0.833 0.750 CB 1.088 13 residues pruned to eliminate duplicates Z: 9 7.686 1.548 0.955 0.384 0.875 0.500 CB 1.161 Z: 7 5.892 1.526 0.261 0.804 1.000 0.667 CB 0.958 7 residues pruned to eliminate duplicates Z: 36 16.582 1.872 0.588 0.417 0.886 0.543 CB 1.160 43 residues pruned to eliminate duplicates Z: 37 29.127 2.033 0.842 0.600 0.917 0.722 CB 1.286 37 residues pruned to eliminate duplicates Z: 32 25.418 2.046 0.837 0.460 0.935 0.452 CB 1.353 32 residues pruned to eliminate duplicates Z: 27 12.149 1.763 0.575 0.415 0.846 0.462 CB 1.109 27 residues pruned to eliminate duplicates Z: 16 12.557 1.806 0.252 0.692 0.867 0.667 CB 1.388 16 residues pruned to eliminate duplicates Z: 6 6.565 1.654 0.760 0.607 0.800 0.800 CA 1.138 6 residues pruned to eliminate duplicates Z: 13 17.972 1.941 0.650 0.884 1.000 0.917 CB 1.171 13 residues pruned to eliminate duplicates Z: 24 26.954 1.906 0.949 0.835 0.913 0.609 CA 1.241 24 residues pruned to eliminate duplicates Z: 6 2.969 1.507 0.240 0.440 0.800 0.600 CB 0.944 Z: 10 13.555 1.738 0.808 0.619 1.000 0.556 CB 1.285 10 residues pruned to eliminate duplicates Z: 11 16.188 1.967 0.783 0.921 0.900 0.800 CB 1.141 11 residues pruned to eliminate duplicates Z: 23 17.752 1.638 0.798 0.871 0.955 0.682 CB 0.982 23 residues pruned to eliminate duplicates Z: 14 15.735 1.791 0.590 0.852 0.923 0.769 CA 1.228 14 residues pruned to eliminate duplicates Z: 7 6.525 1.557 0.824 0.632 0.833 0.667 CA 0.995 7 residues pruned to eliminate duplicates Z: 32 17.050 1.897 0.670 0.403 0.839 0.355 CB 1.276 32 residues pruned to eliminate duplicates Z: 13 20.563 1.926 0.705 0.892 1.000 0.833 CA 1.299 13 residues pruned to eliminate duplicates Z: 10 8.521 1.861 0.560 0.597 0.778 0.556 CB 1.147 10 residues pruned to eliminate duplicates Z: 23 20.628 2.015 0.686 0.613 0.909 0.682 CB 1.280 23 residues pruned to eliminate duplicates Z: 11 16.835 2.011 0.745 0.896 1.000 0.900 CB 1.087 11 residues pruned to eliminate duplicates Z: 21 21.777 1.930 0.830 0.830 1.000 0.600 CB 1.037 21 residues pruned to eliminate duplicates Z: 26 17.576 1.857 0.591 0.565 0.880 0.520 CB 1.269 26 residues pruned to eliminate duplicates Z: 15 10.954 1.898 0.771 0.366 0.857 0.429 CB 1.173 15 residues pruned to eliminate duplicates Z: 11 9.417 1.798 0.485 0.719 0.800 0.600 CB 1.143 11 residues pruned to eliminate duplicates Z: 42 22.928 1.846 0.610 0.488 0.902 0.585 CB 1.350 42 residues pruned to eliminate duplicates Z: 41 29.346 2.012 0.825 0.524 0.850 0.600 CB 1.452 41 residues pruned to eliminate duplicates Z: 45 25.461 1.845 0.680 0.475 0.909 0.659 CA 1.397 42 residues pruned to eliminate duplicates Z: 26 20.862 2.014 0.496 0.587 0.920 0.640 CB 1.385 25 residues pruned to eliminate duplicates Z: 23 26.733 2.036 0.675 0.840 0.955 0.727 CA 1.306 23 residues pruned to eliminate duplicates Z: 7 6.450 1.492 0.575 0.434 1.000 0.667 CA 1.200 7 residues pruned to eliminate duplicates Z: 37 16.463 1.854 0.595 0.346 0.889 0.556 CB 1.234 37 residues pruned to eliminate duplicates Z: 23 27.670 1.975 0.547 0.851 1.000 0.682 CB 1.430 23 residues pruned to eliminate duplicates Z: 27 10.745 1.708 0.633 0.272 0.808 0.577 CB 1.212 27 residues pruned to eliminate duplicates Z: 17 17.215 1.828 0.718 0.685 0.938 0.688 CB 1.234 17 residues pruned to eliminate duplicates Z: 13 21.066 1.877 0.733 0.884 1.000 1.000 CB 1.351 13 residues pruned to eliminate duplicates Z: 7 7.595 1.683 0.646 0.772 1.000 0.833 CB 0.880 6 residues pruned to eliminate duplicates Z: 6 7.668 1.524 1.008 0.831 1.000 0.800 CB 0.841 Z: 60 23.264 1.969 0.510 0.408 0.864 0.559 CB 1.298 60 residues pruned to eliminate duplicates Z: 7 6.721 1.600 0.574 0.674 1.000 0.833 CA 0.928 7 residues pruned to eliminate duplicates Z: 26 27.704 1.978 0.980 0.583 0.840 0.560 CB 1.555 26 residues pruned to eliminate duplicates Z: 13 18.560 1.676 0.767 0.827 1.000 0.583 CB 1.363 13 residues pruned to eliminate duplicates Z: 22 35.578 2.043 1.007 0.866 1.000 0.476 CA 1.385 22 residues pruned to eliminate duplicates Z: 13 19.323 1.955 0.636 0.858 1.000 0.833 CA 1.284 13 residues pruned to eliminate duplicates Z: 23 22.861 2.080 0.571 0.673 0.909 0.727 CA 1.399 23 residues pruned to eliminate duplicates Z: 14 20.352 1.786 0.908 0.870 0.923 0.769 CA 1.310 14 residues pruned to eliminate duplicates Z: 13 14.078 1.848 0.766 0.829 1.000 0.750 CB 0.937 13 residues pruned to eliminate duplicates Z: 7 10.685 1.790 0.645 0.725 1.000 0.667 CA 1.210 7 residues pruned to eliminate duplicates Z: 43 29.866 2.018 0.858 0.455 0.905 0.310 CB 1.421 43 residues pruned to eliminate duplicates Z: 50 19.441 1.896 0.548 0.332 0.857 0.388 CB 1.326 50 residues pruned to eliminate duplicates Z: 6 3.768 1.603 0.285 0.303 0.800 0.600 CB 1.274 Z: 15 4.928 1.512 0.133 0.407 0.857 0.571 CB 0.989 Z: 18 13.039 1.979 0.504 0.410 0.882 0.294 CB 1.323 18 residues pruned to eliminate duplicates Z: 20 10.404 1.808 0.411 0.393 0.947 0.526 CB 1.106 31 residues pruned to eliminate duplicates Z: 37 20.699 1.906 0.678 0.439 0.889 0.611 CB 1.292 37 residues pruned to eliminate duplicates Z: 8 8.000 1.584 0.479 0.873 1.000 1.000 CA 0.940 8 residues pruned to eliminate duplicates Z: 25 22.726 2.051 0.746 0.606 0.958 0.833 CB 1.221 26 residues pruned to eliminate duplicates Z: 16 13.073 1.677 0.497 0.676 0.867 0.533 N 1.320 16 residues pruned to eliminate duplicates Z: 6 3.100 1.344 0.724 0.290 0.800 0.400 CA 0.946 6 residues pruned to eliminate duplicates Z: 8 2.934 1.510 0.608 0.321 0.857 0.429 CB 0.649 Z: 13 17.873 1.774 0.596 0.876 1.000 0.917 CA 1.325 13 residues pruned to eliminate duplicates Z: 12 7.624 1.517 0.551 0.454 0.909 0.545 CB 1.127 Z: 24 28.032 1.916 0.575 0.877 1.000 0.826 CA 1.407 24 residues pruned to eliminate duplicates Z: 8 4.929 1.629 0.164 0.738 0.857 0.714 CB 0.926 8 residues pruned to eliminate duplicates Z: 36 18.869 1.877 0.751 0.401 0.886 0.457 CB 1.217 32 residues pruned to eliminate duplicates Z: 20 10.592 1.975 0.520 0.371 0.789 0.526 CB 1.177 20 residues pruned to eliminate duplicates Z: 9 6.523 1.690 0.467 0.455 0.875 0.625 CA 1.113 9 residues pruned to eliminate duplicates Z: 11 16.180 1.975 0.556 0.929 1.000 1.000 CB 1.165 11 residues pruned to eliminate duplicates Z: 14 13.143 1.824 0.756 0.412 0.846 0.538 CA 1.475 14 residues pruned to eliminate duplicates Z: 23 15.380 1.824 0.713 0.603 0.909 0.727 CB 1.047 34 residues pruned to eliminate duplicates Z: 42 33.536 2.111 0.874 0.491 0.878 0.610 CB 1.521 42 residues pruned to eliminate duplicates Z: 23 34.284 2.068 0.771 0.887 1.000 0.682 CB 1.439 23 residues pruned to eliminate duplicates Z: 43 23.274 1.919 0.509 0.512 0.881 0.571 CB 1.391 43 residues pruned to eliminate duplicates Z: 25 17.717 1.961 0.916 0.312 0.833 0.375 CB 1.423 21 residues pruned to eliminate duplicates Z: 11 6.292 1.713 0.448 0.298 0.900 0.300 CB 1.117 11 residues pruned to eliminate duplicates Z: 11 15.422 1.725 0.616 0.790 1.000 0.800 N 1.356 11 residues pruned to eliminate duplicates Z: 6 5.230 1.858 0.762 0.809 1.000 1.000 CB 0.546 Z: 9 6.279 1.793 0.249 0.361 0.875 0.500 CB 1.315 9 residues pruned to eliminate duplicates Z: 10 6.606 1.669 0.711 0.436 0.778 0.556 CB 1.059 10 residues pruned to eliminate duplicates Z: 8 6.650 1.584 0.136 0.868 1.000 0.857 CB 1.020 Z: 8 10.866 1.822 0.597 0.799 0.857 0.714 CB 1.268 8 residues pruned to eliminate duplicates Z: 7 7.673 1.671 0.331 0.778 1.000 0.500 CB 1.102 7 residues pruned to eliminate duplicates Z: 13 20.413 1.927 0.729 0.866 1.000 0.750 CB 1.295 13 residues pruned to eliminate duplicates Z: 12 18.927 1.976 0.952 0.917 1.000 0.818 CB 1.043 12 residues pruned to eliminate duplicates Z: 43 25.367 1.946 0.802 0.415 0.905 0.429 CB 1.348 43 residues pruned to eliminate duplicates Z: 14 15.217 1.835 0.594 0.855 0.923 0.923 CA 1.154 14 residues pruned to eliminate duplicates Z: 14 15.326 1.640 0.834 0.762 0.846 0.462 CB 1.324 14 residues pruned to eliminate duplicates Z: 23 25.487 2.052 0.474 0.830 0.955 0.818 CB 1.415 23 residues pruned to eliminate duplicates Z: 85 36.474 1.946 0.752 0.507 0.893 0.500 CB 1.298 85 residues pruned to eliminate duplicates Z: 18 9.551 1.768 0.495 0.435 0.824 0.588 CB 1.138 17 residues pruned to eliminate duplicates Z: 21 11.672 1.738 0.541 0.352 0.950 0.550 CB 1.203 21 residues pruned to eliminate duplicates Z: 116 40.411 1.992 0.644 0.500 0.870 0.557 CB 1.322 116 residues pruned to eliminate duplicates Z: 14 18.337 1.805 0.628 0.734 1.000 0.846 CA 1.402 14 residues pruned to eliminate duplicates Z: 11 10.195 1.830 0.582 0.457 0.900 0.600 N 1.292 11 residues pruned to eliminate duplicates Z: 13 26.936 2.049 1.093 0.830 1.000 0.500 CA 1.364 13 residues pruned to eliminate duplicates Z: 10 4.199 1.672 0.460 0.241 0.556 0.222 CA 1.392 10 residues pruned to eliminate duplicates Z: 9 6.235 1.464 0.544 0.630 0.750 0.625 N 1.150 Z: 42 35.239 2.044 0.969 0.539 0.951 0.659 CB 1.384 55 residues pruned to eliminate duplicates Z: 9 11.816 1.750 0.473 0.767 1.000 0.875 CB 1.279 9 residues pruned to eliminate duplicates Z: 6 6.077 1.669 0.675 0.767 0.800 0.800 CA 0.959 6 residues pruned to eliminate duplicates Z: 13 15.958 1.649 0.609 0.876 1.000 0.667 CA 1.261 13 residues pruned to eliminate duplicates Z: 14 17.449 1.891 0.523 0.798 1.000 0.769 CA 1.294 14 residues pruned to eliminate duplicates Z: 33 19.879 1.841 0.527 0.618 0.875 0.625 CB 1.278 33 residues pruned to eliminate duplicates Z: 19 15.822 1.828 0.408 0.701 1.000 0.611 CB 1.206 20 residues pruned to eliminate duplicates Z: 10 3.174 1.668 0.597 0.331 0.778 0.444 CB 0.614 10 residues pruned to eliminate duplicates Z: 26 20.725 2.049 0.478 0.537 0.920 0.680 CA 1.435 27 residues pruned to eliminate duplicates Z: 7 5.613 1.455 0.518 0.851 0.833 0.500 CA 0.921 7 residues pruned to eliminate duplicates Z: 7 3.136 1.704 0.244 0.534 0.667 0.500 CB 0.876 Z: 12 19.457 1.819 1.049 0.934 1.000 0.727 CB 1.097 13 residues pruned to eliminate duplicates Z: 6 6.738 1.827 0.595 0.718 0.800 0.400 CA 1.061 6 residues pruned to eliminate duplicates Z: 8 4.910 1.457 0.282 0.348 1.000 0.429 C 1.172 Z: 6 8.807 1.851 0.608 0.592 0.800 0.400 CB 1.515 6 residues pruned to eliminate duplicates Z: 12 14.347 1.702 0.479 0.852 1.000 0.727 CA 1.271 12 residues pruned to eliminate duplicates Z: 17 11.895 1.911 0.874 0.309 0.812 0.250 CB 1.264 17 residues pruned to eliminate duplicates Z: 16 11.524 1.669 0.510 0.609 0.867 0.467 N 1.228 22 residues pruned to eliminate duplicates Z: 12 5.643 1.465 0.619 0.475 0.818 0.545 CB 0.899 Z: 36 21.492 1.844 0.434 0.609 0.943 0.686 CB 1.314 37 residues pruned to eliminate duplicates Z: 14 20.082 1.943 0.668 0.868 1.000 0.846 CA 1.256 14 residues pruned to eliminate duplicates Z: 11 15.091 1.686 0.828 0.881 1.000 0.800 CB 1.122 Z: 22 22.280 1.891 0.651 0.849 0.952 0.762 CA 1.212 22 residues pruned to eliminate duplicates Z: 14 9.014 1.721 0.508 0.360 0.846 0.385 CA 1.325 14 residues pruned to eliminate duplicates Z: 21 11.027 1.813 0.455 0.351 0.900 0.450 CB 1.221 21 residues pruned to eliminate duplicates Z: 15 9.694 1.808 0.666 0.338 0.786 0.429 CB 1.307 15 residues pruned to eliminate duplicates Z: 6 3.183 1.582 0.005 0.401 1.000 0.600 CB 0.994 Z: 49 22.224 1.867 0.642 0.435 0.896 0.583 CB 1.249 49 residues pruned to eliminate duplicates Z: 6 3.920 1.583 0.020 0.732 0.800 0.600 CA 1.102 6 residues pruned to eliminate duplicates 6 1.723 1.428 0.084 0.450 0.800 0.800 CB 0.655 ? Z: 6 4.974 1.565 0.432 0.469 1.000 0.800 CB 1.024 Z: 10 2.210 1.360 0.327 0.292 0.667 0.222 CB 0.773 Z: 11 8.376 1.666 0.280 0.830 0.900 0.500 CB 1.037 11 residues pruned to eliminate duplicates Z: 10 14.201 1.934 0.554 0.689 0.889 0.444 CB 1.490 10 residues pruned to eliminate duplicates Z: 6 8.098 1.754 0.372 0.864 1.000 1.000 CB 1.103 6 residues pruned to eliminate duplicates Z: 9 6.211 1.829 0.345 0.454 0.875 0.250 CB 1.069 9 residues pruned to eliminate duplicates Z: 31 14.428 1.750 0.703 0.340 0.833 0.467 CB 1.263 31 residues pruned to eliminate duplicates Z: 40 18.574 1.886 0.524 0.383 0.923 0.513 CB 1.270 40 residues pruned to eliminate duplicates Z: 6 3.272 1.641 0.417 0.357 0.800 0.600 CB 0.918 Z: 8 3.402 1.672 0.305 0.238 0.714 0.429 N 1.119 8 residues pruned to eliminate duplicates Z: 7 3.221 1.314 0.283 0.399 0.833 0.500 O 1.042 Z: 17 7.613 1.617 0.291 0.555 0.812 0.562 CB 1.064 17 residues pruned to eliminate duplicates Z: 9 2.091 1.302 0.593 0.277 0.625 0.375 N 0.734 Z: 10 4.507 1.679 0.408 0.354 0.778 0.333 CB 0.956 10 residues pruned to eliminate duplicates 6 1.886 1.645 0.116 0.135 0.800 0.200 CB 0.905 ? Z: 12 11.483 1.867 0.190 0.794 0.909 0.818 CA 1.325 12 residues pruned to eliminate duplicates Z: 30 18.301 1.923 0.580 0.446 0.931 0.552 CB 1.271 30 residues pruned to eliminate duplicates Z: 9 10.401 1.574 0.379 0.897 1.000 0.875 CA 1.212 9 residues pruned to eliminate duplicates Z: 12 11.090 1.895 0.734 0.366 0.818 0.545 CA 1.435 12 residues pruned to eliminate duplicates Z: 8 3.114 1.781 -0.185 0.467 0.857 0.571 CB 0.978 Z: 35 30.095 2.032 0.810 0.568 0.941 0.500 CA 1.396 35 residues pruned to eliminate duplicates Z: 14 10.624 1.856 0.624 0.437 0.769 0.385 N 1.355 14 residues pruned to eliminate duplicates Z: 12 6.036 1.692 0.054 0.343 1.000 0.636 CB 1.210 12 residues pruned to eliminate duplicates Z: 11 17.304 1.904 0.689 0.905 1.000 1.000 CA 1.211 11 residues pruned to eliminate duplicates Z: 6 4.551 1.547 0.144 0.777 0.800 0.800 CB 1.126 Z: 13 15.177 1.842 0.545 0.845 1.000 0.750 CB 1.144 13 residues pruned to eliminate duplicates Z: 12 4.444 1.429 0.527 0.271 0.727 0.273 CB 1.095 10 residues pruned to eliminate duplicates Z: 6 3.232 1.318 1.038 0.392 0.800 0.600 CB 0.754 Z: 7 2.801 1.700 0.342 0.337 0.667 0.500 CB 0.898 Z: 11 4.976 1.624 0.296 0.335 0.900 0.400 CB 0.995 11 residues pruned to eliminate duplicates Z: 10 9.392 1.766 0.778 0.327 0.889 0.556 CB 1.356 10 residues pruned to eliminate duplicates Z: 43 32.208 2.032 0.799 0.542 0.952 0.500 CB 1.371 41 residues pruned to eliminate duplicates 7 1.937 1.451 0.391 0.475 0.667 0.667 CB 0.603 ? Z: 21 10.575 1.870 0.413 0.349 0.750 0.350 CB 1.406 21 residues pruned to eliminate duplicates Z: 9 2.889 1.539 0.309 0.229 0.875 0.375 CB 0.795 Z: 49 27.727 1.978 0.651 0.551 0.917 0.729 CB 1.271 56 residues pruned to eliminate duplicates Z: 8 4.516 1.435 0.705 0.330 0.857 0.429 N 0.980 Z: 11 8.993 1.535 0.430 0.685 1.000 0.600 CA 1.094 11 residues pruned to eliminate duplicates Z: 22 35.702 2.032 1.031 0.844 1.000 0.476 CB 1.404 22 residues pruned to eliminate duplicates Z: 6 3.379 1.150 0.267 0.774 1.000 0.800 CA 0.814 Z: 26 17.141 1.892 0.603 0.459 0.920 0.520 CB 1.281 26 residues pruned to eliminate duplicates Z: 24 10.996 1.898 0.434 0.412 0.783 0.391 CB 1.180 24 residues pruned to eliminate duplicates Z: 8 19.140 2.002 0.880 0.850 0.857 0.429 CB 1.662 8 residues pruned to eliminate duplicates Z: 10 8.319 1.817 0.452 0.323 1.000 0.556 CB 1.278 13 residues pruned to eliminate duplicates Z: 6 6.758 1.925 0.770 0.664 0.600 0.600 CB 1.270 6 residues pruned to eliminate duplicates Z: 58 29.299 2.038 0.491 0.497 0.930 0.684 CB 1.377 58 residues pruned to eliminate duplicates Z: 13 16.585 1.735 0.680 0.812 0.917 0.583 CA 1.366 12 residues pruned to eliminate duplicates Z: 9 4.489 1.602 0.386 0.589 0.875 0.500 CB 0.750 9 residues pruned to eliminate duplicates Z: 10 4.387 1.399 0.281 0.477 0.778 0.444 CB 1.074 10 residues pruned to eliminate duplicates Z: 40 24.029 1.899 0.414 0.706 0.923 0.641 CA 1.287 40 residues pruned to eliminate duplicates Z: 12 17.147 1.886 0.568 0.840 1.000 0.909 CB 1.306 12 residues pruned to eliminate duplicates Z: 12 14.462 1.880 0.482 0.813 1.000 0.818 CB 1.192 12 residues pruned to eliminate duplicates Z: 8 11.364 1.677 0.859 0.741 0.857 0.571 CA 1.295 8 residues pruned to eliminate duplicates Z: 11 15.923 1.730 0.606 0.816 1.000 0.700 CA 1.377 11 residues pruned to eliminate duplicates Z: 10 18.799 1.852 1.024 0.609 1.000 0.667 N 1.508 10 residues pruned to eliminate duplicates Z: 35 20.815 1.957 0.511 0.472 0.971 0.588 CB 1.279 35 residues pruned to eliminate duplicates Z: 21 18.096 1.739 0.487 0.897 0.950 0.900 CB 1.180 21 residues pruned to eliminate duplicates Z: 6 7.968 1.640 0.988 0.708 1.000 1.000 CA 0.905 6 residues pruned to eliminate duplicates Z: 6 6.589 1.482 0.599 0.699 1.000 0.800 N 1.037 6 residues pruned to eliminate duplicates Z: 15 10.819 1.856 0.441 0.441 0.857 0.429 CB 1.341 15 residues pruned to eliminate duplicates Z: 42 33.711 2.075 0.917 0.474 0.878 0.488 CB 1.548 42 residues pruned to eliminate duplicates Z: 25 29.104 1.961 0.754 0.806 1.000 0.708 CA 1.323 25 residues pruned to eliminate duplicates Z: 9 4.390 1.568 0.330 0.283 0.750 0.750 CB 1.268 Z: 6 4.994 1.527 0.048 0.654 1.000 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 22 20.061 1.768 0.577 0.858 1.000 0.905 CA 1.157 22 residues pruned to eliminate duplicates Z: 23 20.364 1.873 0.602 0.641 0.909 0.591 CA 1.395 23 residues pruned to eliminate duplicates Z: 28 20.283 1.888 0.575 0.489 0.926 0.481 CB 1.433 28 residues pruned to eliminate duplicates Z: 19 10.861 1.721 0.484 0.440 0.833 0.556 CA 1.279 19 residues pruned to eliminate duplicates Z: 10 8.698 1.472 0.328 0.875 1.000 0.889 CB 1.079 10 residues pruned to eliminate duplicates Z: 14 9.226 1.632 0.447 0.523 0.923 0.615 CB 1.147 14 residues pruned to eliminate duplicates Z: 8 5.450 1.638 0.338 0.521 0.857 0.571 CB 1.074 Z: 16 11.962 1.921 0.589 0.431 0.933 0.467 CB 1.164 16 residues pruned to eliminate duplicates 6 1.437 1.166 0.053 0.584 0.800 0.600 CB 0.603 ? Z: 12 15.251 1.867 0.717 0.662 0.909 0.455 CB 1.358 12 residues pruned to eliminate duplicates Z: 24 30.037 2.008 0.819 0.805 1.000 0.739 CA 1.314 24 residues pruned to eliminate duplicates Z: 22 15.700 1.846 0.651 0.488 0.905 0.667 CB 1.258 Z: 36 31.602 2.054 1.002 0.512 0.914 0.429 CB 1.404 36 residues pruned to eliminate duplicates Z: 9 11.905 1.615 0.708 0.858 1.000 0.500 CB 1.123 9 residues pruned to eliminate duplicates Z: 10 9.342 1.609 0.837 0.512 0.889 0.667 N 1.172 Z: 42 18.188 1.863 0.616 0.434 0.829 0.463 CB 1.218 42 residues pruned to eliminate duplicates Z: 12 19.127 1.769 0.895 0.803 0.909 0.636 CA 1.452 12 residues pruned to eliminate duplicates Z: 6 6.175 1.705 0.574 0.593 1.000 0.600 CB 0.941 6 residues pruned to eliminate duplicates Z: 12 15.525 1.938 0.307 0.844 1.000 0.818 CA 1.375 12 residues pruned to eliminate duplicates Z: 18 12.767 1.938 0.402 0.340 0.941 0.588 CA 1.442 18 residues pruned to eliminate duplicates Z: 13 20.626 1.922 0.803 0.872 1.000 0.917 CA 1.252 13 residues pruned to eliminate duplicates Z: 21 14.974 1.712 0.494 0.602 0.950 0.600 CB 1.251 21 residues pruned to eliminate duplicates Z: 22 12.913 1.810 0.697 0.536 0.810 0.619 CA 1.094 22 residues pruned to eliminate duplicates Z: 6 5.484 1.907 0.545 0.228 0.800 0.600 N 1.429 Z: 13 22.572 1.986 0.870 0.855 0.917 0.667 CB 1.413 13 residues pruned to eliminate duplicates Z: 17 9.735 1.731 0.705 0.298 0.875 0.500 CB 1.182 17 residues pruned to eliminate duplicates Z: 8 7.938 1.693 0.486 0.888 1.000 1.000 CB 0.859 8 residues pruned to eliminate duplicates Z: 13 18.444 1.949 0.668 0.876 0.917 0.833 CA 1.298 13 residues pruned to eliminate duplicates Z: 22 29.432 1.984 0.789 0.889 0.905 0.810 CB 1.439 35 residues pruned to eliminate duplicates Z: 35 20.233 1.815 0.612 0.567 0.941 0.588 CB 1.181 35 residues pruned to eliminate duplicates Z: 11 11.496 1.915 0.344 0.905 1.000 0.900 CB 1.006 11 residues pruned to eliminate duplicates Z: 10 9.152 1.820 0.404 0.595 0.889 0.556 CA 1.226 10 residues pruned to eliminate duplicates Z: 14 21.375 1.805 0.745 0.874 1.000 0.385 CA 1.370 14 residues pruned to eliminate duplicates Z: 6 2.716 1.346 0.897 0.437 0.800 0.600 N 0.635 Z: 16 13.062 1.978 0.662 0.451 0.800 0.667 CA 1.348 16 residues pruned to eliminate duplicates Z: 20 25.325 2.053 0.883 0.597 1.000 0.526 CB 1.369 17 residues pruned to eliminate duplicates Z: 9 12.152 1.727 0.473 0.892 1.000 1.000 CB 1.213 9 residues pruned to eliminate duplicates Z: 10 4.756 1.535 0.498 0.202 0.778 0.444 CA 1.262 15 residues pruned to eliminate duplicates Z: 8 4.429 1.567 0.435 0.407 0.714 0.571 CB 1.150 8 residues pruned to eliminate duplicates Z: 6 7.470 1.676 0.779 0.725 0.800 0.600 CA 1.143 7 residues pruned to eliminate duplicates Z: 7 4.493 1.534 0.456 0.620 0.833 0.833 CB 0.879 Z: 42 31.213 2.043 0.929 0.529 0.902 0.512 CB 1.331 42 residues pruned to eliminate duplicates Z: 36 15.878 1.744 0.475 0.471 0.829 0.629 CB 1.297 36 residues pruned to eliminate duplicates Z: 18 5.478 1.508 0.323 0.342 0.647 0.412 N 1.222 Z: 7 2.540 1.052 0.734 0.463 1.000 0.500 O 0.590 Z: 10 2.964 1.569 0.046 0.329 0.667 0.222 CB 1.089 10 residues pruned to eliminate duplicates Z: 43 31.621 1.988 0.802 0.544 0.881 0.595 CB 1.481 43 residues pruned to eliminate duplicates Z: 11 10.347 1.914 0.305 0.924 0.900 0.900 CB 1.022 11 residues pruned to eliminate duplicates Z: 36 24.512 1.925 0.740 0.643 0.886 0.514 CB 1.222 36 residues pruned to eliminate duplicates Z: 10 21.474 1.974 1.206 0.852 0.889 0.778 CA 1.368 10 residues pruned to eliminate duplicates Z: 8 7.437 1.570 0.705 0.757 1.000 0.429 CB 0.836 8 residues pruned to eliminate duplicates Z: 44 30.907 1.968 0.790 0.574 0.930 0.721 CB 1.339 44 residues pruned to eliminate duplicates Z: 29 21.590 1.985 0.615 0.569 0.929 0.536 CB 1.283 29 residues pruned to eliminate duplicates Z: 6 5.289 1.467 0.535 0.581 1.000 0.600 N 0.972 Z: 19 15.344 2.020 0.678 0.653 0.889 0.556 CB 1.041 19 residues pruned to eliminate duplicates Z: 23 25.541 2.067 0.478 0.880 1.000 0.864 CA 1.291 23 residues pruned to eliminate duplicates Z: 13 8.608 1.759 0.340 0.434 1.000 0.500 CB 1.129 13 residues pruned to eliminate duplicates Z: 12 21.818 2.106 0.677 0.883 1.000 0.818 CA 1.347 12 residues pruned to eliminate duplicates Z: 6 3.140 1.598 0.280 0.294 0.600 0.600 N 1.441 Z: 21 12.420 1.688 0.630 0.380 0.850 0.550 CA 1.350 21 residues pruned to eliminate duplicates Z: 9 8.009 1.697 0.340 0.906 1.000 1.000 CB 0.886 9 residues pruned to eliminate duplicates Z: 12 6.592 1.582 0.413 0.387 0.909 0.727 CB 1.103 8 residues pruned to eliminate duplicates Z: 20 21.005 1.977 0.312 0.934 1.000 1.000 CA 1.295 20 residues pruned to eliminate duplicates Z: 11 11.373 1.737 0.477 0.742 0.900 0.900 CA 1.254 11 residues pruned to eliminate duplicates Z: 16 10.913 1.646 0.717 0.770 0.867 0.600 CB 0.906 11 residues pruned to eliminate duplicates Z: 11 6.238 1.659 0.419 0.539 0.800 0.500 CB 1.008 6 1.874 1.106 0.070 0.576 0.800 0.400 C 0.822 ? Z: 21 24.921 2.013 0.393 0.919 0.950 0.750 CA 1.475 21 residues pruned to eliminate duplicates Z: 11 6.158 1.541 0.399 0.474 0.900 0.400 CB 1.030 11 residues pruned to eliminate duplicates Z: 6 2.230 1.435 0.574 0.298 0.600 0.400 N 0.923 Z: 6 5.385 1.684 0.180 0.673 0.800 0.600 CB 1.292 6 residues pruned to eliminate duplicates Z: 7 3.269 1.437 0.449 0.455 0.833 0.667 CB 0.805 Z: 23 23.455 1.894 0.668 0.833 1.000 0.864 CA 1.187 23 residues pruned to eliminate duplicates Z: 19 11.021 2.015 0.681 0.273 0.722 0.500 CB 1.373 19 residues pruned to eliminate duplicates Z: 10 5.198 1.524 0.770 0.405 0.778 0.444 CB 0.912 Z: 9 2.572 1.806 -0.009 0.337 0.750 0.250 CB 0.810 Z: 8 4.241 1.387 0.599 0.781 1.000 0.857 CB 0.564 Z: 6 4.316 1.487 0.438 0.661 0.800 0.200 CB 0.972 Z: 6 2.515 1.303 0.354 0.540 1.000 0.600 CB 0.613 Z: 16 12.449 1.887 0.604 0.389 0.800 0.600 CA 1.494 16 residues pruned to eliminate duplicates Z: 9 2.169 1.174 0.141 0.431 0.875 0.625 N 0.702 Z: 6 3.117 1.096 0.904 0.481 1.000 1.000 N 0.681 Z: 24 19.547 1.858 1.013 0.498 0.826 0.478 CB 1.321 24 residues pruned to eliminate duplicates Z: 16 9.817 1.721 0.474 0.712 1.000 0.733 CB 0.824 16 residues pruned to eliminate duplicates Z: 9 3.610 1.266 0.356 0.455 1.000 0.500 CA 0.779 Z: 9 4.195 1.548 0.575 0.296 0.875 0.625 CA 0.873 Z: 6 6.957 1.747 0.523 0.650 0.800 0.800 CB 1.271 Z: 42 38.469 2.117 0.896 0.550 0.927 0.585 CB 1.538 42 residues pruned to eliminate duplicates 10 1.734 1.403 0.429 0.154 0.556 0.222 CB 0.793 ? Z: 7 2.490 1.545 0.156 0.299 0.667 0.333 CA 1.069 Z: 11 10.836 1.710 0.588 0.898 1.000 0.900 CB 0.903 11 residues pruned to eliminate duplicates Z: 11 9.723 1.484 0.803 0.920 1.000 0.900 CB 0.809 11 residues pruned to eliminate duplicates Z: 22 15.095 1.694 0.383 0.865 0.952 0.714 CB 1.082 22 residues pruned to eliminate duplicates Z: 35 22.768 1.946 0.694 0.452 0.824 0.441 CB 1.511 35 residues pruned to eliminate duplicates Z: 14 12.947 1.714 0.736 0.764 0.846 0.615 CB 1.129 14 residues pruned to eliminate duplicates Z: 24 11.640 1.802 0.565 0.433 0.826 0.609 CB 1.117 24 residues pruned to eliminate duplicates Z: 44 29.741 1.978 0.711 0.542 0.953 0.698 CA 1.349 44 residues pruned to eliminate duplicates Z: 21 8.587 1.750 0.350 0.417 0.800 0.500 CB 1.108 20 residues pruned to eliminate duplicates Z: 6 5.678 1.717 0.755 0.520 0.800 0.800 CB 1.033 Z: 7 10.555 1.659 0.518 0.752 1.000 0.667 CA 1.366 7 residues pruned to eliminate duplicates Z: 22 15.916 1.740 0.420 0.832 0.952 0.762 CA 1.108 22 residues pruned to eliminate duplicates Z: 13 9.508 1.775 0.323 0.514 0.917 0.417 CB 1.258 13 residues pruned to eliminate duplicates Z: 16 12.471 1.807 0.635 0.494 0.933 0.667 CA 1.175 16 residues pruned to eliminate duplicates Z: 19 19.236 2.000 0.537 0.536 1.000 0.500 CB 1.424 19 residues pruned to eliminate duplicates Z: 9 3.767 1.515 0.479 0.264 1.000 0.250 CB 0.778 Z: 7 4.998 1.510 0.396 0.783 1.000 0.500 CB 0.754 7 residues pruned to eliminate duplicates Z: 34 17.962 1.950 0.460 0.360 0.879 0.576 CA 1.453 34 residues pruned to eliminate duplicates Z: 7 9.700 1.906 0.168 0.761 1.000 1.000 CA 1.410 7 residues pruned to eliminate duplicates Z: 9 16.505 1.939 0.688 0.616 1.000 0.875 CA 1.598 9 residues pruned to eliminate duplicates Z: 30 22.926 1.875 0.588 0.645 0.931 0.621 CA 1.340 30 residues pruned to eliminate duplicates Z: 10 19.183 1.835 0.957 0.785 1.000 0.778 CA 1.385 10 residues pruned to eliminate duplicates Z: 44 28.635 1.969 0.767 0.619 0.930 0.442 CB 1.205 38 residues pruned to eliminate duplicates 6 1.067 1.334 0.242 0.476 0.600 0.600 CB 0.492 ? Z: 9 10.350 1.783 0.757 0.471 1.000 0.625 CB 1.203 9 residues pruned to eliminate duplicates Z: 13 3.235 1.460 0.261 0.404 0.667 0.500 CB 0.841 13 residues pruned to eliminate duplicates Z: 6 2.948 1.579 0.417 0.818 0.600 0.400 CB 0.745 6 residues pruned to eliminate duplicates Z: 96 35.861 1.983 0.519 0.516 0.905 0.568 CB 1.328 96 residues pruned to eliminate duplicates Z: 10 14.819 1.918 0.563 0.585 1.000 0.667 CA 1.518 10 residues pruned to eliminate duplicates Z: 9 10.674 1.941 0.316 0.634 0.875 0.625 CA 1.489 9 residues pruned to eliminate duplicates Z: 9 2.723 1.496 0.408 0.244 0.750 0.250 CA 0.819 9 residues pruned to eliminate duplicates Z: 27 17.859 1.898 0.684 0.394 0.885 0.692 CB 1.385 27 residues pruned to eliminate duplicates Z: 23 34.184 1.976 0.883 0.920 1.000 0.818 CA 1.379 32 residues pruned to eliminate duplicates Z: 31 12.527 1.826 0.490 0.357 0.767 0.467 CB 1.279 31 residues pruned to eliminate duplicates Z: 24 26.084 2.026 1.049 0.665 0.913 0.739 CB 1.231 24 residues pruned to eliminate duplicates Z: 13 24.335 1.862 0.789 0.931 1.000 0.833 CA 1.473 13 residues pruned to eliminate duplicates Z: 6 3.711 1.596 0.895 0.872 1.000 1.000 CB 0.400 Z: 14 20.640 1.843 0.744 0.867 1.000 0.769 CA 1.303 14 residues pruned to eliminate duplicates Z: 38 22.706 1.894 0.530 0.641 0.973 0.595 CB 1.160 38 residues pruned to eliminate duplicates Z: 11 3.603 1.545 0.104 0.322 0.700 0.500 CA 1.160 11 residues pruned to eliminate duplicates Z: 36 27.472 2.049 0.610 0.551 0.943 0.714 CA 1.420 36 residues pruned to eliminate duplicates Z: 7 14.596 2.084 0.847 0.810 1.000 1.000 CB 1.181 7 residues pruned to eliminate duplicates Z: 6 5.572 1.562 0.770 0.394 1.000 0.800 O 1.008 Z: 6 7.465 1.807 0.367 0.873 1.000 0.800 CA 0.985 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.949 1.503 0.183 0.397 0.800 0.400 CB 1.034 6 residues pruned to eliminate duplicates Z: 7 14.966 1.888 0.644 0.818 1.000 1.000 CB 1.494 8 residues pruned to eliminate duplicates Z: 7 5.598 1.286 1.099 0.400 1.000 0.333 CB 0.940 Z: 11 11.830 1.911 0.283 0.881 1.000 0.900 CB 1.105 11 residues pruned to eliminate duplicates Z: 12 15.218 1.931 0.494 0.813 1.000 0.727 CB 1.211 11 residues pruned to eliminate duplicates Z: 11 10.235 1.883 0.247 0.847 0.900 0.800 CB 1.136 11 residues pruned to eliminate duplicates Z: 21 11.335 1.828 0.437 0.526 0.800 0.550 CB 1.176 21 residues pruned to eliminate duplicates Z: 10 14.474 1.938 0.565 0.853 1.000 0.889 CB 1.175 10 residues pruned to eliminate duplicates Z: 23 14.800 1.876 0.428 0.663 1.000 0.636 CB 1.012 30 residues pruned to eliminate duplicates Z: 12 17.140 1.884 0.785 0.879 1.000 0.818 CB 1.115 12 residues pruned to eliminate duplicates Z: 11 14.964 1.968 0.548 0.900 0.900 0.800 CB 1.233 11 residues pruned to eliminate duplicates Z: 17 13.672 1.779 0.648 0.580 0.938 0.750 CA 1.151 13 residues pruned to eliminate duplicates Z: 13 16.611 1.828 0.772 0.850 0.917 0.833 CB 1.196 13 residues pruned to eliminate duplicates Z: 39 14.137 1.903 0.443 0.339 0.816 0.553 CB 1.220 39 residues pruned to eliminate duplicates Z: 6 6.300 1.858 0.290 0.441 1.000 0.800 CB 1.250 Z: 7 4.452 1.547 0.747 0.473 0.833 0.500 CA 0.830 7 residues pruned to eliminate duplicates Z: 42 23.496 1.950 0.735 0.511 0.854 0.561 CB 1.257 42 residues pruned to eliminate duplicates Z: 6 2.348 1.726 0.061 0.121 0.800 0.400 N 1.153 6 residues pruned to eliminate duplicates Z: 21 9.554 1.918 0.370 0.420 0.950 0.400 CB 0.931 21 residues pruned to eliminate duplicates Z: 58 28.479 1.982 0.792 0.469 0.860 0.596 CB 1.275 100 residues pruned to eliminate duplicates Z: 27 21.166 2.034 0.642 0.574 0.962 0.731 CB 1.203 Z: 14 21.175 1.990 0.910 0.820 0.923 0.846 CB 1.268 14 residues pruned to eliminate duplicates Z: 30 18.368 1.944 0.679 0.487 0.862 0.517 CB 1.228 28 residues pruned to eliminate duplicates Z: 11 21.262 2.044 0.792 0.876 1.000 0.800 CB 1.334 11 residues pruned to eliminate duplicates Z: 41 24.171 1.963 0.668 0.494 0.950 0.575 CB 1.236 29 residues pruned to eliminate duplicates Z: 13 23.236 1.971 0.823 0.858 1.000 0.750 CB 1.375 13 residues pruned to eliminate duplicates Z: 18 15.208 2.016 0.651 0.637 0.941 0.824 CB 1.035 18 residues pruned to eliminate duplicates Z: 41 26.925 1.972 0.764 0.536 0.925 0.600 CB 1.277 41 residues pruned to eliminate duplicates Z: 13 18.697 1.980 0.723 0.885 0.917 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 29 21.307 1.995 0.612 0.526 0.964 0.571 CB 1.266 29 residues pruned to eliminate duplicates Z: 38 21.068 1.986 0.596 0.495 0.892 0.486 CB 1.231 37 residues pruned to eliminate duplicates Z: 14 19.004 1.969 0.777 0.819 0.923 0.692 CB 1.238 14 residues pruned to eliminate duplicates Z: 36 26.510 2.010 0.728 0.553 0.943 0.571 CB 1.299 37 residues pruned to eliminate duplicates Z: 15 20.113 1.961 0.919 0.728 0.929 0.786 CB 1.252 15 residues pruned to eliminate duplicates Z: 39 23.440 1.915 0.710 0.491 0.921 0.526 CB 1.273 37 residues pruned to eliminate duplicates 6 1.815 1.727 0.540 0.285 0.600 0.400 CA 0.648 ? Z: 6 3.943 1.517 0.554 0.275 0.800 0.600 CA 1.207 6 residues pruned to eliminate duplicates Z: 26 24.089 2.028 0.878 0.612 0.960 0.680 CB 1.185 26 residues pruned to eliminate duplicates Z: 39 32.629 2.065 0.862 0.543 0.921 0.553 CB 1.433 64 residues pruned to eliminate duplicates Z: 30 23.203 1.890 0.919 0.535 0.862 0.552 CB 1.332 Z: 13 18.242 1.992 0.673 0.836 0.917 0.583 CB 1.290 13 residues pruned to eliminate duplicates Z: 43 30.962 2.016 0.932 0.539 0.905 0.595 CB 1.305 73 residues pruned to eliminate duplicates Z: 25 26.267 1.971 0.939 0.613 0.958 0.583 CB 1.315 Z: 13 20.948 2.017 0.994 0.824 0.917 0.583 CB 1.239 13 residues pruned to eliminate duplicates Z: 30 32.977 2.098 0.890 0.569 0.966 0.517 CB 1.496 55 residues pruned to eliminate duplicates Z: 28 24.125 1.861 0.914 0.550 0.963 0.481 CB 1.288 Z: 14 22.684 1.923 1.142 0.778 0.923 0.462 CB 1.294 14 residues pruned to eliminate duplicates Z: 27 25.488 1.907 0.945 0.606 0.923 0.577 CB 1.320 28 residues pruned to eliminate duplicates Z: 16 26.519 2.038 1.156 0.714 0.933 0.467 CB 1.375 16 residues pruned to eliminate duplicates Z: 26 24.419 1.959 0.899 0.586 0.960 0.560 CB 1.259 27 residues pruned to eliminate duplicates Z: 6 3.286 1.515 0.788 0.246 0.600 0.400 N 1.212 6 residues pruned to eliminate duplicates Z: 37 24.074 1.940 0.482 0.636 0.889 0.750 CA 1.382 33 residues pruned to eliminate duplicates Z: 26 20.034 1.976 0.230 0.819 1.000 0.960 CA 1.250 26 residues pruned to eliminate duplicates Z: 29 25.366 1.991 0.502 0.706 0.929 0.714 CA 1.431 29 residues pruned to eliminate duplicates Z: 23 26.598 2.031 0.498 0.871 1.000 0.909 CA 1.360 23 residues pruned to eliminate duplicates Z: 27 23.459 1.981 0.504 0.749 0.962 0.808 CA 1.286 27 residues pruned to eliminate duplicates Z: 25 25.915 2.048 0.417 0.813 0.958 0.875 CA 1.448 25 residues pruned to eliminate duplicates Z: 26 21.711 2.013 0.367 0.804 0.960 0.880 CA 1.260 27 residues pruned to eliminate duplicates Z: 22 27.399 2.062 0.382 0.907 1.000 0.952 CA 1.492 22 residues pruned to eliminate duplicates Z: 26 28.957 1.998 0.656 0.766 0.920 0.640 CA 1.503 26 residues pruned to eliminate duplicates Z: 28 30.809 2.041 0.705 0.733 0.963 0.667 CB 1.435 28 residues pruned to eliminate duplicates Z: 25 37.573 2.090 0.829 0.833 1.000 0.792 CA 1.505 26 residues pruned to eliminate duplicates Z: 22 34.424 2.061 0.718 0.897 1.000 0.619 CA 1.518 22 residues pruned to eliminate duplicates Z: 27 32.966 2.005 0.824 0.765 0.923 0.654 CB 1.515 27 residues pruned to eliminate duplicates Z: 27 32.347 1.998 0.836 0.775 0.923 0.692 CB 1.469 27 residues pruned to eliminate duplicates Z: 26 33.700 2.033 0.794 0.805 0.920 0.680 CB 1.539 26 residues pruned to eliminate duplicates Z: 26 34.690 2.047 0.810 0.803 0.960 0.680 CA 1.497 26 residues pruned to eliminate duplicates Z: 27 33.267 2.008 0.874 0.766 0.962 0.577 CB 1.425 27 residues pruned to eliminate duplicates Z: 34 32.024 1.987 0.851 0.688 0.909 0.727 CB 1.404 34 residues pruned to eliminate duplicates Z: 30 29.187 1.965 0.771 0.683 0.966 0.690 CA 1.363 30 residues pruned to eliminate duplicates Z: 28 28.303 1.983 0.655 0.734 0.926 0.630 CB 1.452 28 residues pruned to eliminate duplicates Z: 26 34.999 2.029 0.866 0.801 0.920 0.640 CB 1.544 26 residues pruned to eliminate duplicates Z: 38 27.599 1.921 0.673 0.633 0.892 0.432 CB 1.397 35 residues pruned to eliminate duplicates Z: 23 37.459 2.040 0.870 0.897 1.000 0.636 CA 1.498 23 residues pruned to eliminate duplicates Z: 28 18.739 1.929 0.827 0.392 0.852 0.593 CB 1.346 28 residues pruned to eliminate duplicates Z: 6 4.525 1.764 0.357 0.407 0.800 0.600 CA 1.165 6 residues pruned to eliminate duplicates Z: 44 23.188 1.964 0.571 0.560 0.884 0.651 CA 1.223 44 residues pruned to eliminate duplicates Z: 36 20.897 1.888 0.652 0.529 0.886 0.514 CB 1.242 36 residues pruned to eliminate duplicates Z: 44 24.396 1.889 0.678 0.446 0.930 0.535 CB 1.333 44 residues pruned to eliminate duplicates Z: 52 26.182 1.940 0.702 0.391 0.902 0.510 CB 1.381 52 residues pruned to eliminate duplicates Z: 26 18.953 1.950 0.783 0.447 0.840 0.640 CB 1.372 26 residues pruned to eliminate duplicates Z: 21 13.831 1.929 0.760 0.421 0.850 0.550 CB 1.163 21 residues pruned to eliminate duplicates Z: 41 22.587 1.938 0.725 0.490 0.875 0.500 CB 1.233 41 residues pruned to eliminate duplicates Z: 7 4.134 1.366 0.836 0.472 1.000 0.500 CA 0.692 7 residues pruned to eliminate duplicates Z: 43 29.108 1.984 0.717 0.542 0.952 0.643 CB 1.328 43 residues pruned to eliminate duplicates Z: 29 21.522 1.962 0.648 0.476 0.929 0.536 CB 1.387 29 residues pruned to eliminate duplicates Z: 28 18.938 1.958 0.685 0.489 0.889 0.593 CB 1.257 28 residues pruned to eliminate duplicates Z: 25 19.361 1.978 0.652 0.439 0.917 0.583 CB 1.405 25 residues pruned to eliminate duplicates Z: 28 19.631 1.897 0.724 0.436 0.889 0.444 CB 1.388 28 residues pruned to eliminate duplicates Z: 37 31.275 2.041 0.796 0.589 0.972 0.667 CB 1.343 37 residues pruned to eliminate duplicates Z: 42 29.099 1.963 0.741 0.585 0.927 0.634 CB 1.322 42 residues pruned to eliminate duplicates Z: 45 28.828 1.956 0.709 0.534 0.909 0.614 CB 1.383 45 residues pruned to eliminate duplicates Z: 32 20.741 1.925 0.765 0.466 0.903 0.613 CA 1.257 32 residues pruned to eliminate duplicates Z: 43 30.512 2.007 0.689 0.552 0.952 0.643 CB 1.385 43 residues pruned to eliminate duplicates Z: 44 30.857 1.994 0.756 0.562 0.930 0.628 CB 1.360 44 residues pruned to eliminate duplicates Z: 38 28.521 2.019 0.807 0.552 0.919 0.541 CB 1.330 38 residues pruned to eliminate duplicates Z: 43 33.499 2.014 0.870 0.584 0.929 0.667 CB 1.364 43 residues pruned to eliminate duplicates Z: 37 29.955 2.004 0.842 0.582 0.972 0.694 CB 1.285 37 residues pruned to eliminate duplicates Z: 17 20.084 2.013 0.948 0.688 0.875 0.812 CB 1.232 17 residues pruned to eliminate duplicates Z: 43 30.004 1.997 0.793 0.557 0.905 0.548 CB 1.351 43 residues pruned to eliminate duplicates Z: 45 27.101 1.962 0.705 0.529 0.886 0.659 CA 1.339 45 residues pruned to eliminate duplicates Z: 43 33.275 2.009 0.886 0.563 0.929 0.714 CA 1.373 43 residues pruned to eliminate duplicates Z: 43 34.470 2.015 0.883 0.567 0.952 0.714 CB 1.380 43 residues pruned to eliminate duplicates Z: 16 19.262 1.881 0.899 0.665 0.933 0.667 CA 1.280 16 residues pruned to eliminate duplicates Z: 43 30.090 2.000 0.770 0.540 0.929 0.619 CA 1.358 43 residues pruned to eliminate duplicates Z: 44 30.884 1.997 0.705 0.550 0.953 0.628 CA 1.381 44 residues pruned to eliminate duplicates Z: 44 29.917 1.992 0.756 0.550 0.930 0.628 CA 1.335 44 residues pruned to eliminate duplicates Z: 46 30.071 1.947 0.758 0.532 0.956 0.622 CA 1.328 46 residues pruned to eliminate duplicates Z: 44 26.756 1.975 0.664 0.537 0.953 0.721 CA 1.256 44 residues pruned to eliminate duplicates Z: 43 28.291 1.998 0.768 0.541 0.905 0.667 CB 1.313 43 residues pruned to eliminate duplicates Z: 43 34.074 2.048 0.944 0.512 0.905 0.548 CB 1.442 43 residues pruned to eliminate duplicates Z: 25 13.674 1.919 0.635 0.299 0.833 0.292 CB 1.336 25 residues pruned to eliminate duplicates Z: 42 34.172 2.023 0.827 0.504 0.951 0.585 CB 1.513 41 residues pruned to eliminate duplicates Z: 7 14.200 1.930 0.974 0.685 1.000 0.500 CB 1.284 7 residues pruned to eliminate duplicates Z: 42 28.579 1.987 0.820 0.532 0.902 0.585 CB 1.326 42 residues pruned to eliminate duplicates Z: 45 30.258 1.983 0.812 0.514 0.909 0.591 CB 1.378 45 residues pruned to eliminate duplicates Z: 43 33.375 2.010 0.913 0.494 0.905 0.595 CB 1.491 43 residues pruned to eliminate duplicates Z: 22 15.555 1.943 0.989 0.344 0.762 0.381 CB 1.366 22 residues pruned to eliminate duplicates Z: 42 31.122 2.001 0.912 0.503 0.854 0.512 CB 1.484 42 residues pruned to eliminate duplicates Z: 42 33.695 2.026 0.895 0.506 0.951 0.585 CB 1.433 42 residues pruned to eliminate duplicates Z: 45 31.275 1.988 0.838 0.476 0.886 0.523 CB 1.492 45 residues pruned to eliminate duplicates Z: 45 27.958 1.989 0.804 0.480 0.864 0.636 CB 1.388 45 residues pruned to eliminate duplicates Z: 43 37.217 2.049 0.899 0.482 0.952 0.548 CB 1.579 44 residues pruned to eliminate duplicates Z: 6 3.258 1.301 0.973 0.422 0.800 0.200 CA 0.769 6 residues pruned to eliminate duplicates Z: 40 31.010 2.047 0.817 0.505 0.872 0.667 CB 1.524 40 residues pruned to eliminate duplicates Z: 43 31.998 2.067 0.906 0.448 0.857 0.548 CB 1.542 43 residues pruned to eliminate duplicates Z: 42 31.790 2.068 0.811 0.478 0.927 0.561 CB 1.462 42 residues pruned to eliminate duplicates Z: 41 27.867 2.018 0.836 0.490 0.850 0.625 CB 1.413 41 residues pruned to eliminate duplicates Z: 42 31.930 2.081 0.810 0.467 0.878 0.488 CB 1.560 42 residues pruned to eliminate duplicates Z: 14 23.124 1.979 0.811 0.720 1.000 0.846 CA 1.467 14 residues pruned to eliminate duplicates Z: 44 34.086 2.040 0.808 0.473 0.953 0.581 CB 1.519 44 residues pruned to eliminate duplicates Z: 41 31.316 2.051 0.857 0.469 0.950 0.450 CB 1.413 41 residues pruned to eliminate duplicates Z: 41 32.414 2.059 0.867 0.502 0.875 0.525 CB 1.521 41 residues pruned to eliminate duplicates Z: 44 31.074 1.991 0.798 0.436 0.953 0.395 CB 1.484 43 residues pruned to eliminate duplicates Z: 13 28.589 1.992 1.134 0.891 1.000 0.583 CA 1.395 13 residues pruned to eliminate duplicates Z: 41 30.933 2.049 0.792 0.481 0.950 0.500 CB 1.429 41 residues pruned to eliminate duplicates Z: 42 30.886 2.009 0.869 0.491 0.902 0.366 CB 1.437 42 residues pruned to eliminate duplicates Z: 44 28.639 2.004 0.763 0.465 0.860 0.558 CB 1.489 44 residues pruned to eliminate duplicates Z: 41 33.475 2.057 0.859 0.490 0.950 0.575 CB 1.472 41 residues pruned to eliminate duplicates Z: 43 36.188 2.066 0.973 0.476 0.905 0.500 CB 1.552 43 residues pruned to eliminate duplicates Z: 36 27.202 1.994 0.990 0.464 0.857 0.429 CB 1.403 36 residues pruned to eliminate duplicates Z: 41 34.810 2.032 0.948 0.510 0.925 0.500 CB 1.489 41 residues pruned to eliminate duplicates Z: 42 36.697 2.065 0.901 0.492 0.951 0.439 CB 1.547 43 residues pruned to eliminate duplicates Z: 7 5.867 1.399 0.946 0.423 0.833 0.500 CA 1.144 7 residues pruned to eliminate duplicates Z: 40 32.617 2.056 0.936 0.511 0.897 0.538 CB 1.446 40 residues pruned to eliminate duplicates Z: 45 33.708 1.999 0.885 0.493 0.932 0.409 CB 1.457 45 residues pruned to eliminate duplicates Z: 44 30.201 2.019 0.912 0.465 0.860 0.465 CB 1.437 45 residues pruned to eliminate duplicates Z: 6 3.416 1.406 0.390 0.358 0.800 0.600 N 1.138 6 residues pruned to eliminate duplicates Z: 40 35.339 2.064 0.934 0.513 0.974 0.487 CB 1.436 40 residues pruned to eliminate duplicates Z: 10 12.271 1.760 0.544 0.598 1.000 0.444 CB 1.371 10 residues pruned to eliminate duplicates Z: 14 10.803 1.974 0.691 0.368 0.769 0.462 CA 1.344 14 residues pruned to eliminate duplicates Z: 21 16.738 2.025 0.569 0.437 0.950 0.400 CB 1.324 21 residues pruned to eliminate duplicates Z: 21 20.228 1.944 0.928 0.433 0.900 0.450 CB 1.437 21 residues pruned to eliminate duplicates Z: 15 22.188 2.075 0.763 0.527 1.000 0.571 CA 1.579 15 residues pruned to eliminate duplicates Z: 15 17.226 2.035 0.765 0.519 0.857 0.643 CA 1.468 15 residues pruned to eliminate duplicates Z: 18 16.705 1.995 0.614 0.508 0.882 0.588 CA 1.414 18 residues pruned to eliminate duplicates Z: 41 31.421 2.024 0.668 0.579 0.950 0.700 CB 1.435 67 residues pruned to eliminate duplicates Z: 17 17.671 2.043 0.693 0.489 0.938 0.375 CA 1.377 17 residues pruned to eliminate duplicates Z: 16 18.233 2.001 0.771 0.457 0.933 0.400 CA 1.487 16 residues pruned to eliminate duplicates Z: 17 22.124 2.096 0.686 0.540 1.000 0.500 CB 1.505 17 residues pruned to eliminate duplicates Z: 23 16.140 1.941 0.748 0.396 0.818 0.455 CA 1.383 23 residues pruned to eliminate duplicates Z: 21 22.179 1.989 1.063 0.467 0.850 0.500 CA 1.471 21 residues pruned to eliminate duplicates Z: 35 17.737 1.972 0.657 0.350 0.765 0.353 CA 1.432 35 residues pruned to eliminate duplicates Z: 29 20.560 1.958 0.749 0.443 0.821 0.393 CA 1.464 29 residues pruned to eliminate duplicates Z: 20 23.826 2.072 0.940 0.509 0.895 0.368 CB 1.506 20 residues pruned to eliminate duplicates Z: 51 19.305 1.883 0.552 0.422 0.840 0.420 CB 1.206 51 residues pruned to eliminate duplicates Z: 34 17.167 1.855 0.703 0.485 0.818 0.515 CB 1.174 34 residues pruned to eliminate duplicates Z: 28 21.011 1.952 0.863 0.448 0.778 0.444 CB 1.508 28 residues pruned to eliminate duplicates Z: 14 13.601 1.941 0.747 0.475 0.769 0.538 CA 1.483 14 residues pruned to eliminate duplicates Z: 30 15.578 1.863 0.625 0.431 0.862 0.448 CB 1.190 30 residues pruned to eliminate duplicates Z: 48 23.888 1.865 0.729 0.483 0.872 0.489 CB 1.261 48 residues pruned to eliminate duplicates Z: 51 27.878 1.901 0.741 0.533 0.860 0.440 CB 1.341 51 residues pruned to eliminate duplicates Z: 47 21.082 1.962 0.526 0.419 0.870 0.500 CB 1.299 47 residues pruned to eliminate duplicates Z: 31 21.074 1.887 0.831 0.517 0.833 0.500 CB 1.315 31 residues pruned to eliminate duplicates Z: 52 28.136 1.939 0.812 0.465 0.902 0.510 CB 1.288 54 residues pruned to eliminate duplicates Z: 8 5.458 1.915 0.535 0.360 0.714 0.143 CA 1.143 8 residues pruned to eliminate duplicates Z: 41 25.472 1.886 0.826 0.571 0.825 0.375 CB 1.324 41 residues pruned to eliminate duplicates Z: 30 16.053 1.922 0.684 0.508 0.793 0.586 CB 1.152 30 residues pruned to eliminate duplicates Z: 52 27.912 1.884 0.728 0.564 0.843 0.667 CB 1.338 52 residues pruned to eliminate duplicates Z: 15 11.034 1.838 0.825 0.359 0.786 0.571 CB 1.303 15 residues pruned to eliminate duplicates Z: 28 14.431 1.817 0.679 0.375 0.852 0.444 CB 1.222 28 residues pruned to eliminate duplicates Z: 18 10.285 1.837 0.794 0.335 0.765 0.353 CB 1.186 18 residues pruned to eliminate duplicates Z: 18 15.598 1.841 0.959 0.565 0.882 0.412 CB 1.116 18 residues pruned to eliminate duplicates Z: 42 22.310 1.852 0.794 0.559 0.829 0.561 CB 1.194 42 residues pruned to eliminate duplicates Z: 40 23.147 1.920 0.850 0.575 0.821 0.462 CB 1.183 40 residues pruned to eliminate duplicates Z: 28 19.943 1.928 0.822 0.508 0.852 0.667 CB 1.273 28 residues pruned to eliminate duplicates Z: 44 26.895 1.917 0.801 0.573 0.860 0.605 CB 1.287 44 residues pruned to eliminate duplicates Z: 27 22.666 1.947 0.943 0.578 0.923 0.538 CB 1.181 27 residues pruned to eliminate duplicates Z: 62 29.586 1.945 0.597 0.502 0.934 0.475 CB 1.303 62 residues pruned to eliminate duplicates Z: 43 29.893 1.965 0.866 0.503 0.905 0.500 CB 1.386 43 residues pruned to eliminate duplicates Z: 53 28.689 1.936 0.819 0.469 0.904 0.442 CB 1.290 53 residues pruned to eliminate duplicates Z: 6 2.261 1.534 0.449 0.441 1.000 0.400 CA 0.484 Z: 13 13.857 1.916 0.428 0.741 0.750 0.417 CA 1.570 13 residues pruned to eliminate duplicates Z: 51 31.120 1.900 0.738 0.564 0.920 0.520 CB 1.362 57 residues pruned to eliminate duplicates Z: 16 12.696 1.858 0.475 0.694 0.733 0.467 CA 1.366 16 residues pruned to eliminate duplicates Z: 18 14.228 1.779 0.491 0.610 0.882 0.529 CA 1.328 18 residues pruned to eliminate duplicates Z: 16 13.705 1.735 0.508 0.551 0.867 0.600 CA 1.484 16 residues pruned to eliminate duplicates Z: 44 25.861 1.884 0.498 0.696 0.860 0.744 CA 1.357 44 residues pruned to eliminate duplicates Z: 19 11.467 1.675 0.616 0.591 0.889 0.389 CA 1.029 19 residues pruned to eliminate duplicates Z: 15 18.903 1.892 0.569 0.719 0.929 0.643 CA 1.504 15 residues pruned to eliminate duplicates Z: 21 15.472 1.766 0.433 0.593 0.950 0.500 CB 1.317 21 residues pruned to eliminate duplicates Z: 17 15.148 1.759 0.552 0.697 0.875 0.750 CB 1.324 17 residues pruned to eliminate duplicates Z: 17 17.336 1.857 0.520 0.686 0.875 0.562 CA 1.480 17 residues pruned to eliminate duplicates Z: 18 17.058 1.779 0.614 0.692 0.824 0.647 CA 1.468 18 residues pruned to eliminate duplicates Z: 30 19.072 1.788 0.607 0.576 0.828 0.586 CB 1.384 30 residues pruned to eliminate duplicates Z: 53 37.715 1.908 0.780 0.627 0.981 0.692 CB 1.394 53 residues pruned to eliminate duplicates Z: 62 32.729 1.837 0.831 0.563 0.918 0.508 CA 1.277 62 residues pruned to eliminate duplicates Z: 15 12.240 1.832 0.753 0.421 0.857 0.429 CB 1.291 15 residues pruned to eliminate duplicates Z: 16 13.441 1.761 0.867 0.373 0.867 0.467 CB 1.395 16 residues pruned to eliminate duplicates Z: 15 15.636 1.814 1.077 0.448 0.857 0.429 CB 1.365 15 residues pruned to eliminate duplicates Z: 42 24.675 1.917 0.590 0.539 0.902 0.683 CA 1.348 42 residues pruned to eliminate duplicates Z: 44 27.422 1.874 0.765 0.519 0.907 0.651 CB 1.367 44 residues pruned to eliminate duplicates Z: 18 14.254 1.874 0.610 0.381 0.882 0.353 CB 1.473 18 residues pruned to eliminate duplicates Z: 39 26.572 1.952 0.729 0.526 0.947 0.632 CB 1.314 39 residues pruned to eliminate duplicates Z: 19 15.097 1.913 0.631 0.376 0.889 0.389 CA 1.465 19 residues pruned to eliminate duplicates Z: 44 29.458 1.901 0.742 0.493 0.977 0.605 CB 1.399 45 residues pruned to eliminate duplicates Z: 13 23.127 2.032 1.016 0.732 1.000 0.833 CB 1.323 13 residues pruned to eliminate duplicates Z: 41 30.656 1.944 0.886 0.506 0.950 0.625 CB 1.383 41 residues pruned to eliminate duplicates Z: 42 32.529 1.934 0.890 0.508 0.951 0.585 CB 1.450 42 residues pruned to eliminate duplicates Z: 42 26.715 1.910 0.646 0.508 0.927 0.634 CB 1.422 42 residues pruned to eliminate duplicates Z: 44 30.152 1.886 0.829 0.484 0.977 0.558 CB 1.387 44 residues pruned to eliminate duplicates Z: 27 24.173 1.912 0.928 0.591 0.923 0.615 CB 1.277 27 residues pruned to eliminate duplicates Z: 31 25.350 1.934 0.936 0.486 0.900 0.500 CB 1.393 31 residues pruned to eliminate duplicates Z: 41 31.793 1.930 0.849 0.542 0.975 0.500 CB 1.387 41 residues pruned to eliminate duplicates Z: 35 23.046 1.932 0.819 0.472 0.882 0.441 CB 1.311 35 residues pruned to eliminate duplicates Z: 38 25.770 1.893 0.827 0.523 0.946 0.514 CB 1.265 38 residues pruned to eliminate duplicates Z: 42 29.350 1.929 0.854 0.498 0.927 0.488 CB 1.386 42 residues pruned to eliminate duplicates Z: 14 22.065 1.991 0.994 0.734 0.923 0.538 CB 1.353 14 residues pruned to eliminate duplicates Z: 42 28.641 1.922 0.762 0.479 1.000 0.512 CB 1.350 42 residues pruned to eliminate duplicates Z: 44 27.421 1.900 0.846 0.488 0.884 0.535 CB 1.366 44 residues pruned to eliminate duplicates Z: 42 26.803 1.924 0.811 0.480 0.902 0.488 CB 1.359 42 residues pruned to eliminate duplicates Z: 43 27.397 1.922 0.821 0.464 0.905 0.643 CB 1.385 44 residues pruned to eliminate duplicates Z: 6 8.432 1.899 0.429 0.808 1.000 1.000 CB 1.062 6 residues pruned to eliminate duplicates Z: 50 21.557 1.938 0.568 0.403 0.939 0.551 CB 1.195 50 residues pruned to eliminate duplicates Z: 39 19.332 1.950 0.574 0.451 0.842 0.658 CB 1.276 39 residues pruned to eliminate duplicates Z: 33 17.582 1.962 0.440 0.432 0.844 0.625 CB 1.398 33 residues pruned to eliminate duplicates Z: 31 19.852 2.008 0.510 0.469 0.900 0.567 CB 1.371 31 residues pruned to eliminate duplicates Z: 43 19.961 1.982 0.517 0.434 0.857 0.643 CB 1.280 43 residues pruned to eliminate duplicates Z: 38 24.192 1.977 0.667 0.461 0.919 0.676 CB 1.366 38 residues pruned to eliminate duplicates Z: 31 22.154 2.019 0.572 0.480 0.933 0.633 CB 1.393 31 residues pruned to eliminate duplicates Z: 40 21.767 1.955 0.576 0.429 0.923 0.590 CB 1.319 40 residues pruned to eliminate duplicates Z: 32 21.673 1.998 0.600 0.479 0.903 0.613 CB 1.376 32 residues pruned to eliminate duplicates Z: 34 21.885 1.963 0.578 0.481 0.909 0.727 CA 1.379 34 residues pruned to eliminate duplicates Z: 22 18.742 2.016 0.682 0.415 0.952 0.714 CA 1.385 22 residues pruned to eliminate duplicates Z: 39 23.774 1.969 0.674 0.494 0.921 0.658 CB 1.279 39 residues pruned to eliminate duplicates Z: 31 22.434 1.975 0.707 0.440 0.900 0.633 CA 1.435 31 residues pruned to eliminate duplicates Z: 53 23.095 1.922 0.561 0.420 0.904 0.615 CB 1.284 53 residues pruned to eliminate duplicates Z: 39 19.529 1.920 0.615 0.394 0.868 0.605 CB 1.315 39 residues pruned to eliminate duplicates Z: 43 18.701 1.936 0.443 0.390 0.881 0.595 CB 1.317 43 residues pruned to eliminate duplicates Z: 36 16.520 1.926 0.568 0.332 0.886 0.600 CB 1.255 36 residues pruned to eliminate duplicates Z: 40 17.948 1.953 0.570 0.378 0.846 0.538 CB 1.262 40 residues pruned to eliminate duplicates Z: 51 21.841 1.918 0.530 0.415 0.920 0.600 CB 1.250 51 residues pruned to eliminate duplicates Z: 31 21.601 1.981 0.631 0.479 0.933 0.667 CA 1.337 31 residues pruned to eliminate duplicates Z: 31 20.357 1.991 0.555 0.444 0.967 0.567 CA 1.316 31 residues pruned to eliminate duplicates Z: 13 11.233 1.882 0.590 0.429 0.917 0.500 CA 1.272 13 residues pruned to eliminate duplicates Z: 81 37.997 2.037 0.691 0.457 0.925 0.625 CB 1.394 81 residues pruned to eliminate duplicates Z: 67 32.279 1.929 0.740 0.488 0.894 0.545 CB 1.340 67 residues pruned to eliminate duplicates Z: 53 23.600 1.944 0.613 0.420 0.885 0.673 CB 1.282 53 residues pruned to eliminate duplicates Z: 43 19.831 1.977 0.475 0.391 0.905 0.595 CB 1.301 43 residues pruned to eliminate duplicates Z: 20 12.774 1.850 0.534 0.500 0.842 0.632 CB 1.226 20 residues pruned to eliminate duplicates Z: 33 21.831 1.974 0.636 0.452 0.938 0.719 CA 1.339 33 residues pruned to eliminate duplicates Z: 39 21.074 1.973 0.490 0.466 0.921 0.579 CB 1.307 39 residues pruned to eliminate duplicates Z: 43 15.061 1.928 0.410 0.377 0.833 0.643 CB 1.170 43 residues pruned to eliminate duplicates Z: 10 7.076 1.978 0.668 0.298 0.778 0.444 CB 1.152 10 residues pruned to eliminate duplicates Z: 6 2.345 1.975 0.337 0.236 0.400 0.200 CB 1.349 6 residues pruned to eliminate duplicates Z: 18 14.407 1.902 0.866 0.525 0.765 0.588 CB 1.256 18 residues pruned to eliminate duplicates Z: 81 36.999 2.020 0.723 0.460 0.913 0.588 CB 1.356 81 residues pruned to eliminate duplicates Z: 81 43.088 2.071 0.725 0.470 0.975 0.600 CB 1.426 81 residues pruned to eliminate duplicates Z: 72 40.170 2.067 0.783 0.441 0.944 0.606 CB 1.457 72 residues pruned to eliminate duplicates Z: 52 23.718 1.942 0.607 0.398 0.941 0.569 CB 1.259 52 residues pruned to eliminate duplicates Z: 42 22.591 2.011 0.524 0.442 0.902 0.561 CB 1.353 42 residues pruned to eliminate duplicates Z: 8 5.194 1.917 0.060 0.301 1.000 0.143 CB 1.206 8 residues pruned to eliminate duplicates Z: 42 21.942 1.940 0.580 0.427 0.927 0.537 CB 1.302 42 residues pruned to eliminate duplicates Z: 42 35.303 2.082 0.890 0.494 0.902 0.512 CB 1.561 42 residues pruned to eliminate duplicates Z: 21 19.309 2.055 0.706 0.400 0.900 0.550 CB 1.521 21 residues pruned to eliminate duplicates Z: 42 36.090 2.103 0.854 0.523 0.878 0.585 CB 1.608 42 residues pruned to eliminate duplicates Z: 44 31.295 2.034 0.728 0.469 0.930 0.628 CA 1.507 44 residues pruned to eliminate duplicates Z: 41 39.960 2.155 0.920 0.526 0.950 0.625 CB 1.566 41 residues pruned to eliminate duplicates Z: 43 32.747 2.079 0.716 0.499 0.929 0.548 CB 1.527 43 residues pruned to eliminate duplicates Z: 23 15.768 2.026 0.688 0.329 0.773 0.455 CB 1.534 23 residues pruned to eliminate duplicates Z: 43 39.280 2.057 0.939 0.549 0.905 0.619 CB 1.601 43 residues pruned to eliminate duplicates Z: 41 37.646 2.148 0.887 0.525 0.950 0.625 CB 1.507 41 residues pruned to eliminate duplicates Z: 40 38.886 2.108 0.838 0.552 0.974 0.667 CB 1.568 40 residues pruned to eliminate duplicates Z: 22 22.660 2.015 0.849 0.366 1.000 0.476 CB 1.532 22 residues pruned to eliminate duplicates Z: 41 41.280 2.151 0.929 0.515 0.950 0.625 CB 1.631 41 residues pruned to eliminate duplicates Z: 41 37.430 2.119 0.909 0.528 0.950 0.550 CB 1.498 41 residues pruned to eliminate duplicates Z: 35 33.886 2.094 0.879 0.514 0.941 0.647 CB 1.549 35 residues pruned to eliminate duplicates Z: 41 33.844 2.111 0.814 0.467 0.950 0.625 CB 1.522 41 residues pruned to eliminate duplicates Z: 41 38.321 2.166 0.931 0.499 0.950 0.625 CA 1.527 41 residues pruned to eliminate duplicates Z: 40 37.726 2.149 0.851 0.538 0.949 0.667 CB 1.542 40 residues pruned to eliminate duplicates Z: 33 28.048 2.101 0.788 0.512 0.875 0.656 CA 1.491 33 residues pruned to eliminate duplicates Z: 42 32.898 2.080 0.761 0.474 0.927 0.610 CB 1.554 42 residues pruned to eliminate duplicates Z: 34 26.157 1.995 0.787 0.471 0.939 0.545 CB 1.400 34 residues pruned to eliminate duplicates Z: 40 36.474 2.081 0.879 0.512 0.974 0.590 CA 1.515 40 residues pruned to eliminate duplicates Z: 42 34.378 2.137 0.726 0.448 0.976 0.488 CB 1.573 42 residues pruned to eliminate duplicates Z: 43 30.129 2.076 0.861 0.446 0.857 0.548 CB 1.484 43 residues pruned to eliminate duplicates Z: 27 24.577 1.994 0.833 0.537 0.885 0.615 CB 1.437 27 residues pruned to eliminate duplicates Z: 41 38.046 2.150 0.837 0.482 0.975 0.450 CB 1.592 41 residues pruned to eliminate duplicates Z: 41 35.637 2.128 0.892 0.496 0.875 0.600 CB 1.605 41 residues pruned to eliminate duplicates Z: 41 35.155 2.138 0.858 0.470 0.950 0.575 CB 1.518 41 residues pruned to eliminate duplicates Z: 42 34.261 2.076 0.912 0.479 0.927 0.585 CA 1.486 42 residues pruned to eliminate duplicates Z: 25 33.856 2.100 0.970 0.599 0.958 0.583 CB 1.585 25 residues pruned to eliminate duplicates Z: 16 27.552 2.047 0.949 0.697 1.000 0.600 CA 1.489 16 residues pruned to eliminate duplicates Z: 35 31.466 2.049 0.795 0.478 0.941 0.471 CB 1.594 35 residues pruned to eliminate duplicates Z: 41 28.011 2.040 0.813 0.444 0.875 0.400 CB 1.449 41 residues pruned to eliminate duplicates Z: 28 35.913 2.152 0.931 0.559 1.000 0.630 CA 1.570 28 residues pruned to eliminate duplicates Z: 16 19.435 1.928 0.784 0.542 0.933 0.400 CA 1.499 16 residues pruned to eliminate duplicates Z: 36 26.231 1.994 0.888 0.506 0.829 0.486 CB 1.413 36 residues pruned to eliminate duplicates Z: 37 26.711 2.038 0.830 0.459 0.861 0.472 CB 1.446 37 residues pruned to eliminate duplicates Z: 42 32.598 2.073 0.900 0.439 0.878 0.488 CB 1.567 42 residues pruned to eliminate duplicates Z: 41 37.509 2.165 0.941 0.490 0.950 0.575 CB 1.501 41 residues pruned to eliminate duplicates Z: 18 15.230 1.837 0.559 0.676 0.824 0.588 CA 1.331 18 residues pruned to eliminate duplicates Z: 20 14.632 1.803 0.524 0.603 0.842 0.526 CB 1.315 20 residues pruned to eliminate duplicates Z: 17 15.276 1.806 0.534 0.685 1.000 0.812 CB 1.163 22 residues pruned to eliminate duplicates Z: 13 19.391 1.825 0.719 0.712 1.000 0.667 CA 1.472 13 residues pruned to eliminate duplicates Z: 18 17.070 1.831 0.520 0.694 0.941 0.647 CB 1.323 18 residues pruned to eliminate duplicates Z: 21 14.989 1.762 0.545 0.621 0.950 0.650 CB 1.156 21 residues pruned to eliminate duplicates Z: 15 17.539 1.871 0.476 0.778 1.000 0.786 CA 1.328 15 residues pruned to eliminate duplicates Z: 46 28.184 1.909 0.527 0.668 0.978 0.600 CB 1.262 57 residues pruned to eliminate duplicates Z: 13 16.492 1.731 0.556 0.893 1.000 0.750 CA 1.269 13 residues pruned to eliminate duplicates Z: 17 14.263 1.685 0.605 0.629 0.938 0.688 CA 1.245 17 residues pruned to eliminate duplicates Z: 15 17.674 1.865 0.750 0.734 0.929 0.571 CA 1.264 15 residues pruned to eliminate duplicates Z: 17 17.644 1.801 0.794 0.689 1.000 0.500 CB 1.148 17 residues pruned to eliminate duplicates Z: 15 21.158 1.911 0.924 0.778 0.929 0.643 CB 1.296 15 residues pruned to eliminate duplicates Z: 14 15.441 1.903 0.911 0.691 0.846 0.692 CB 1.168 14 residues pruned to eliminate duplicates Z: 22 19.963 1.866 0.713 0.696 0.952 0.762 CB 1.196 31 residues pruned to eliminate duplicates Z: 12 18.904 1.827 0.850 0.902 1.000 0.818 CA 1.204 12 residues pruned to eliminate duplicates Z: 12 16.388 1.834 0.495 0.933 1.000 1.000 CB 1.257 12 residues pruned to eliminate duplicates Z: 12 15.555 1.857 1.096 0.877 0.909 0.545 CB 0.963 12 residues pruned to eliminate duplicates Z: 23 18.100 1.859 0.588 0.636 1.000 0.545 CB 1.150 23 residues pruned to eliminate duplicates Z: 15 14.924 1.820 1.048 0.719 0.857 0.714 CB 1.024 15 residues pruned to eliminate duplicates Z: 31 16.277 1.706 0.832 0.540 0.867 0.600 CB 1.055 22 residues pruned to eliminate duplicates Z: 12 18.934 1.799 1.084 0.919 1.000 0.909 CB 1.072 12 residues pruned to eliminate duplicates Z: 25 19.750 1.831 0.828 0.646 0.958 0.417 CB 1.097 25 residues pruned to eliminate duplicates Z: 24 20.479 1.816 0.763 0.654 0.913 0.609 CB 1.266 24 residues pruned to eliminate duplicates Z: 23 19.158 1.872 0.508 0.702 1.000 0.864 CB 1.204 31 residues pruned to eliminate duplicates Z: 15 17.722 1.833 0.703 0.724 0.929 0.857 CB 1.334 15 residues pruned to eliminate duplicates Z: 21 20.494 1.850 0.776 0.632 0.950 0.500 CA 1.297 17 residues pruned to eliminate duplicates Z: 14 19.341 1.793 0.831 0.861 0.923 0.538 CA 1.301 14 residues pruned to eliminate duplicates Z: 19 20.889 1.812 0.815 0.706 0.944 0.722 CA 1.315 19 residues pruned to eliminate duplicates Z: 32 19.228 1.731 0.585 0.638 0.935 0.516 CA 1.183 34 residues pruned to eliminate duplicates Z: 12 17.375 1.902 0.779 0.851 0.909 0.636 CA 1.261 12 residues pruned to eliminate duplicates Z: 35 22.061 1.846 0.584 0.538 0.941 0.618 CB 1.325 35 residues pruned to eliminate duplicates Z: 43 16.690 1.817 0.456 0.469 0.881 0.595 CB 1.141 51 residues pruned to eliminate duplicates Z: 14 21.045 1.827 0.964 0.803 1.000 0.769 CB 1.249 14 residues pruned to eliminate duplicates Z: 34 24.608 1.857 0.703 0.543 0.970 0.636 CB 1.339 34 residues pruned to eliminate duplicates Z: 31 19.240 1.843 0.651 0.484 0.933 0.467 CB 1.258 31 residues pruned to eliminate duplicates Z: 20 19.981 1.884 0.742 0.605 1.000 0.684 CA 1.264 20 residues pruned to eliminate duplicates Z: 20 20.360 1.861 0.809 0.681 1.000 0.474 CB 1.175 20 residues pruned to eliminate duplicates Z: 20 21.760 1.879 0.768 0.702 1.000 0.579 CA 1.250 20 residues pruned to eliminate duplicates Z: 36 19.367 1.807 0.669 0.551 0.886 0.629 CB 1.166 36 residues pruned to eliminate duplicates Z: 36 21.180 1.840 0.588 0.540 0.886 0.543 CB 1.330 36 residues pruned to eliminate duplicates Z: 21 16.697 1.815 0.750 0.623 0.900 0.450 CB 1.163 21 residues pruned to eliminate duplicates Z: 27 19.476 1.869 0.675 0.541 0.846 0.346 CB 1.385 27 residues pruned to eliminate duplicates Z: 47 21.428 1.843 0.517 0.474 0.891 0.543 CB 1.302 47 residues pruned to eliminate duplicates Z: 47 21.758 1.828 0.554 0.496 0.913 0.522 CB 1.242 47 residues pruned to eliminate duplicates Z: 29 21.723 1.860 0.686 0.559 0.929 0.571 CB 1.331 29 residues pruned to eliminate duplicates Z: 29 18.630 1.853 0.497 0.593 0.964 0.536 CB 1.205 29 residues pruned to eliminate duplicates Z: 7 11.256 1.980 0.487 0.513 1.000 0.667 CA 1.540 7 residues pruned to eliminate duplicates Z: 14 8.564 1.896 0.578 0.335 0.769 0.462 CB 1.236 14 residues pruned to eliminate duplicates Z: 13 5.944 1.791 0.456 0.205 0.833 0.500 CB 1.120 13 residues pruned to eliminate duplicates Z: 24 11.083 1.834 0.335 0.411 0.913 0.522 CB 1.135 24 residues pruned to eliminate duplicates Z: 10 9.794 1.775 0.597 0.477 1.000 0.556 CB 1.179 10 residues pruned to eliminate duplicates Z: 30 10.954 1.806 0.302 0.373 0.862 0.621 CB 1.149 21 residues pruned to eliminate duplicates Z: 20 9.639 1.785 0.341 0.440 0.789 0.368 CB 1.246 20 residues pruned to eliminate duplicates Z: 25 11.786 1.820 0.461 0.453 0.875 0.375 CB 1.085 25 residues pruned to eliminate duplicates Z: 62 23.951 1.830 0.560 0.458 0.918 0.557 CB 1.221 62 residues pruned to eliminate duplicates Z: 32 11.087 1.755 0.277 0.386 0.839 0.516 CB 1.196 32 residues pruned to eliminate duplicates Z: 25 14.572 1.837 0.387 0.439 0.958 0.583 CB 1.297 25 residues pruned to eliminate duplicates Z: 22 14.155 1.855 0.553 0.498 0.857 0.619 CB 1.254 22 residues pruned to eliminate duplicates Z: 27 15.800 1.809 0.383 0.482 0.962 0.577 CA 1.312 31 residues pruned to eliminate duplicates Z: 50 23.547 1.854 0.591 0.483 0.898 0.531 CB 1.292 50 residues pruned to eliminate duplicates Z: 23 13.276 1.882 0.404 0.470 0.909 0.773 CB 1.215 23 residues pruned to eliminate duplicates Z: 14 13.962 1.902 0.669 0.618 0.923 0.538 CB 1.182 14 residues pruned to eliminate duplicates Z: 14 10.709 1.888 0.226 0.605 0.923 0.769 CB 1.258 14 residues pruned to eliminate duplicates Z: 17 8.321 1.775 0.101 0.501 0.875 0.688 CB 1.215 17 residues pruned to eliminate duplicates Z: 19 7.928 1.728 0.353 0.480 0.667 0.389 CB 1.223 19 residues pruned to eliminate duplicates Z: 9 6.351 1.836 0.227 0.566 0.875 0.750 CB 1.068 9 residues pruned to eliminate duplicates Z: 38 15.354 1.828 0.608 0.384 0.838 0.459 CB 1.160 38 residues pruned to eliminate duplicates Z: 42 20.209 1.865 0.683 0.404 0.902 0.585 CB 1.233 42 residues pruned to eliminate duplicates Z: 35 18.633 1.882 0.590 0.457 0.941 0.647 CB 1.185 35 residues pruned to eliminate duplicates Z: 36 15.441 1.816 0.532 0.428 0.886 0.600 CB 1.141 36 residues pruned to eliminate duplicates Z: 37 20.210 1.931 0.629 0.461 0.944 0.583 CB 1.180 37 residues pruned to eliminate duplicates Z: 37 20.925 1.910 0.633 0.489 0.944 0.583 CB 1.196 37 residues pruned to eliminate duplicates Z: 35 15.685 1.890 0.494 0.450 0.853 0.647 CB 1.175 35 residues pruned to eliminate duplicates Z: 38 17.273 1.871 0.474 0.473 0.865 0.595 CB 1.223 38 residues pruned to eliminate duplicates Z: 35 19.858 1.924 0.656 0.465 0.912 0.471 CB 1.216 35 residues pruned to eliminate duplicates Z: 31 17.892 1.881 0.600 0.480 0.900 0.633 CB 1.230 31 residues pruned to eliminate duplicates Z: 36 18.373 1.907 0.700 0.463 0.829 0.600 CB 1.200 36 residues pruned to eliminate duplicates Z: 39 18.069 1.903 0.594 0.402 0.868 0.447 CB 1.234 39 residues pruned to eliminate duplicates Z: 37 21.108 1.919 0.597 0.489 0.917 0.611 CB 1.267 37 residues pruned to eliminate duplicates Z: 36 19.147 1.918 0.516 0.476 0.914 0.600 CB 1.247 36 residues pruned to eliminate duplicates Z: 34 15.923 1.909 0.551 0.446 0.818 0.576 CB 1.209 34 residues pruned to eliminate duplicates Z: 37 19.639 1.889 0.586 0.485 0.889 0.556 CA 1.248 37 residues pruned to eliminate duplicates Z: 38 17.051 1.880 0.470 0.436 0.865 0.568 CB 1.253 38 residues pruned to eliminate duplicates Z: 32 16.302 1.895 0.449 0.483 0.871 0.613 CB 1.245 32 residues pruned to eliminate duplicates Z: 40 18.668 1.899 0.591 0.414 0.897 0.462 CB 1.205 40 residues pruned to eliminate duplicates Z: 51 17.598 1.766 0.516 0.412 0.880 0.560 CB 1.158 51 residues pruned to eliminate duplicates Z: 32 17.957 1.907 0.594 0.482 0.871 0.613 CB 1.240 32 residues pruned to eliminate duplicates Z: 40 14.551 1.865 0.554 0.386 0.821 0.487 CB 1.106 40 residues pruned to eliminate duplicates Z: 35 15.455 1.817 0.561 0.312 0.882 0.500 CB 1.304 52 residues pruned to eliminate duplicates Z: 8 6.928 1.647 0.737 0.427 0.857 0.429 N 1.153 8 residues pruned to eliminate duplicates Z: 40 18.635 1.880 0.603 0.434 0.872 0.538 CB 1.216 40 residues pruned to eliminate duplicates Z: 41 17.515 1.868 0.588 0.439 0.875 0.525 CB 1.137 41 residues pruned to eliminate duplicates Z: 51 19.074 1.831 0.451 0.427 0.900 0.640 CB 1.217 51 residues pruned to eliminate duplicates Z: 41 18.258 1.891 0.585 0.429 0.900 0.575 CB 1.152 41 residues pruned to eliminate duplicates Z: 42 18.435 1.861 0.581 0.423 0.878 0.585 CB 1.208 42 residues pruned to eliminate duplicates Z: 8 9.259 1.848 0.607 0.717 0.857 0.571 CB 1.129 8 residues pruned to eliminate duplicates Z: 41 18.471 1.910 0.506 0.431 0.900 0.550 CB 1.212 42 residues pruned to eliminate duplicates 6 0.913 1.090 0.402 0.253 0.600 0.200 CA 0.591 ? Z: 15 12.462 1.796 0.264 0.684 0.929 0.500 CB 1.334 15 residues pruned to eliminate duplicates Z: 13 14.540 1.773 0.466 0.716 0.917 0.667 CA 1.448 13 residues pruned to eliminate duplicates Z: 15 15.728 1.838 0.383 0.710 0.929 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 16 13.413 1.845 0.312 0.691 1.000 0.733 CB 1.202 16 residues pruned to eliminate duplicates Z: 14 15.583 1.776 0.530 0.691 0.923 0.385 N 1.447 14 residues pruned to eliminate duplicates Z: 14 15.314 1.709 0.543 0.715 0.923 0.462 N 1.436 14 residues pruned to eliminate duplicates Z: 46 31.904 1.951 0.581 0.650 0.956 0.578 CB 1.403 42 residues pruned to eliminate duplicates Z: 13 18.598 1.621 0.801 0.830 1.000 0.750 CA 1.383 13 residues pruned to eliminate duplicates Z: 18 17.620 1.857 0.598 0.686 1.000 0.471 CB 1.214 18 residues pruned to eliminate duplicates Z: 44 31.359 1.963 0.602 0.682 0.953 0.698 CB 1.349 44 residues pruned to eliminate duplicates Z: 19 16.304 1.745 0.735 0.601 0.944 0.444 CB 1.220 19 residues pruned to eliminate duplicates Z: 20 16.485 1.795 0.489 0.674 0.947 0.474 CB 1.272 20 residues pruned to eliminate duplicates Z: 21 13.292 1.781 0.600 0.603 0.850 0.450 CB 1.112 21 residues pruned to eliminate duplicates Z: 21 16.606 1.753 0.457 0.664 0.950 0.650 CB 1.315 21 residues pruned to eliminate duplicates Z: 57 29.698 1.983 0.433 0.674 0.946 0.661 CB 1.257 57 residues pruned to eliminate duplicates Z: 37 28.574 1.940 0.677 0.631 1.000 0.583 CB 1.294 37 residues pruned to eliminate duplicates Z: 46 31.162 1.950 0.666 0.657 0.933 0.733 CB 1.324 46 residues pruned to eliminate duplicates Z: 29 20.779 1.920 0.644 0.517 0.929 0.643 CA 1.318 29 residues pruned to eliminate duplicates Z: 33 22.551 1.950 0.479 0.623 0.906 0.719 CA 1.358 33 residues pruned to eliminate duplicates Z: 44 35.349 1.985 0.722 0.695 0.977 0.605 CB 1.351 46 residues pruned to eliminate duplicates Z: 24 24.328 1.975 0.613 0.853 1.000 0.826 CA 1.176 24 residues pruned to eliminate duplicates Z: 32 25.704 1.996 0.644 0.639 0.935 0.742 CB 1.321 32 residues pruned to eliminate duplicates Z: 19 25.686 2.062 0.787 0.754 1.000 0.611 CB 1.310 19 residues pruned to eliminate duplicates Z: 29 20.794 2.005 0.640 0.513 0.893 0.643 CB 1.322 29 residues pruned to eliminate duplicates Z: 42 28.183 1.933 0.724 0.583 0.902 0.585 CB 1.351 85 residues pruned to eliminate duplicates Z: 21 28.427 1.971 0.915 0.796 0.950 0.650 CA 1.368 21 residues pruned to eliminate duplicates Z: 47 34.369 1.978 0.658 0.667 0.957 0.630 CB 1.385 47 residues pruned to eliminate duplicates Z: 32 27.745 1.995 0.754 0.664 0.871 0.581 CB 1.404 32 residues pruned to eliminate duplicates Z: 35 31.004 2.003 0.789 0.725 0.941 0.588 CB 1.287 35 residues pruned to eliminate duplicates Z: 43 31.114 1.967 0.672 0.650 0.905 0.571 CB 1.403 43 residues pruned to eliminate duplicates Z: 27 32.066 2.063 0.732 0.767 0.962 0.577 CA 1.445 27 residues pruned to eliminate duplicates Z: 56 34.047 1.991 0.635 0.661 0.927 0.618 CB 1.310 55 residues pruned to eliminate duplicates Z: 23 35.593 2.067 1.056 0.803 0.955 0.318 CA 1.436 23 residues pruned to eliminate duplicates Z: 25 35.954 2.089 0.988 0.780 0.958 0.542 CA 1.441 25 residues pruned to eliminate duplicates Z: 45 31.743 1.962 0.651 0.690 0.955 0.682 CB 1.301 45 residues pruned to eliminate duplicates Z: 48 31.555 1.948 0.704 0.655 0.915 0.702 CB 1.313 48 residues pruned to eliminate duplicates Z: 36 28.726 2.041 0.782 0.662 0.886 0.486 CA 1.298 36 residues pruned to eliminate duplicates Z: 45 32.008 1.940 0.808 0.685 0.909 0.432 CB 1.277 45 residues pruned to eliminate duplicates Z: 47 31.167 1.959 0.777 0.633 0.891 0.435 CB 1.306 47 residues pruned to eliminate duplicates Z: 30 30.778 1.985 0.861 0.675 0.931 0.517 CA 1.415 30 residues pruned to eliminate duplicates Z: 48 33.394 1.963 0.733 0.629 0.936 0.596 CA 1.354 48 residues pruned to eliminate duplicates Z: 56 33.952 2.014 0.598 0.655 0.945 0.636 CB 1.302 56 residues pruned to eliminate duplicates Z: 59 31.694 1.975 0.717 0.623 0.897 0.552 CB 1.219 59 residues pruned to eliminate duplicates Z: 14 6.602 1.995 0.223 0.548 0.769 0.538 CB 0.930 14 residues pruned to eliminate duplicates Z: 87 38.577 1.963 0.717 0.564 0.884 0.547 CB 1.313 87 residues pruned to eliminate duplicates Z: 16 9.833 1.906 0.447 0.471 0.933 0.333 CB 1.016 16 residues pruned to eliminate duplicates Z: 12 12.254 2.050 0.492 0.690 1.000 0.636 CB 1.015 12 residues pruned to eliminate duplicates Z: 13 11.128 2.023 0.453 0.569 1.000 0.667 CB 1.023 13 residues pruned to eliminate duplicates Z: 60 33.629 1.998 0.690 0.554 0.932 0.492 CB 1.320 60 residues pruned to eliminate duplicates Z: 17 10.516 1.901 0.364 0.525 0.875 0.438 CB 1.130 17 residues pruned to eliminate duplicates Z: 13 7.442 1.953 0.208 0.590 0.917 0.500 CB 0.911 13 residues pruned to eliminate duplicates Z: 8 8.131 1.973 0.368 0.501 1.000 0.286 CB 1.137 8 residues pruned to eliminate duplicates Z: 71 29.918 1.931 0.610 0.537 0.929 0.529 CB 1.194 71 residues pruned to eliminate duplicates Z: 60 28.974 1.932 0.730 0.598 0.949 0.407 CB 1.082 60 residues pruned to eliminate duplicates Z: 9 5.265 1.943 0.152 0.417 1.000 0.250 CB 0.907 9 residues pruned to eliminate duplicates Z: 18 6.479 1.734 0.602 0.305 0.824 0.529 CB 0.854 18 residues pruned to eliminate duplicates Z: 42 22.104 1.962 0.514 0.486 0.878 0.537 CB 1.343 42 residues pruned to eliminate duplicates Z: 38 29.933 2.032 0.669 0.603 0.919 0.730 CB 1.432 38 residues pruned to eliminate duplicates Z: 38 25.010 1.963 0.566 0.587 0.919 0.757 CB 1.339 38 residues pruned to eliminate duplicates Z: 44 29.562 1.995 0.668 0.553 0.953 0.674 CB 1.350 44 residues pruned to eliminate duplicates Z: 22 14.675 1.896 0.680 0.413 0.810 0.571 CA 1.360 22 residues pruned to eliminate duplicates Z: 20 16.441 1.973 0.499 0.458 0.895 0.737 CA 1.487 20 residues pruned to eliminate duplicates Z: 37 23.467 1.971 0.460 0.564 0.889 0.722 CB 1.437 37 residues pruned to eliminate duplicates Z: 52 22.275 1.939 0.576 0.453 0.863 0.529 CB 1.241 52 residues pruned to eliminate duplicates Z: 38 27.842 1.986 0.626 0.575 0.919 0.676 CB 1.435 38 residues pruned to eliminate duplicates Z: 48 27.502 1.977 0.531 0.529 0.915 0.511 CB 1.408 48 residues pruned to eliminate duplicates Z: 35 24.750 2.008 0.563 0.500 0.941 0.559 CB 1.436 35 residues pruned to eliminate duplicates Z: 35 15.756 1.870 0.573 0.375 0.824 0.500 CA 1.274 35 residues pruned to eliminate duplicates Z: 43 26.231 2.009 0.613 0.506 0.929 0.524 CB 1.336 43 residues pruned to eliminate duplicates Z: 47 26.519 2.010 0.597 0.553 0.913 0.565 CB 1.267 47 residues pruned to eliminate duplicates Z: 37 24.808 1.968 0.629 0.532 0.917 0.611 CB 1.362 37 residues pruned to eliminate duplicates Z: 36 25.811 2.011 0.608 0.534 0.886 0.714 CB 1.473 36 residues pruned to eliminate duplicates Z: 35 22.161 1.999 0.455 0.544 0.882 0.618 CB 1.417 35 residues pruned to eliminate duplicates Z: 45 24.087 2.011 0.521 0.494 0.909 0.591 CB 1.314 45 residues pruned to eliminate duplicates Z: 38 22.027 1.956 0.561 0.535 0.865 0.622 CB 1.325 38 residues pruned to eliminate duplicates Z: 18 17.326 1.964 0.603 0.609 0.882 0.647 CB 1.364 18 residues pruned to eliminate duplicates Z: 39 28.199 1.984 0.662 0.588 0.921 0.605 CB 1.384 39 residues pruned to eliminate duplicates Z: 35 21.641 2.015 0.571 0.519 0.853 0.588 CB 1.349 35 residues pruned to eliminate duplicates Z: 37 29.415 2.020 0.663 0.574 0.944 0.722 CB 1.439 37 residues pruned to eliminate duplicates Z: 41 23.899 1.935 0.654 0.510 0.900 0.650 CB 1.299 41 residues pruned to eliminate duplicates Z: 38 19.706 1.875 0.700 0.460 0.892 0.541 CB 1.187 38 residues pruned to eliminate duplicates Z: 78 39.658 2.011 0.627 0.587 0.948 0.584 CB 1.340 78 residues pruned to eliminate duplicates Z: 39 26.563 2.002 0.748 0.553 0.868 0.632 CB 1.347 39 residues pruned to eliminate duplicates Z: 22 21.173 1.975 0.914 0.707 0.905 0.762 CB 1.120 22 residues pruned to eliminate duplicates Z: 18 15.942 1.996 0.788 0.613 0.824 0.471 CB 1.182 18 residues pruned to eliminate duplicates Z: 34 27.257 2.035 0.726 0.542 0.909 0.576 CB 1.426 34 residues pruned to eliminate duplicates Z: 23 21.282 2.016 0.893 0.659 0.909 0.545 CB 1.128 23 residues pruned to eliminate duplicates Z: 36 24.246 1.997 0.683 0.523 0.886 0.543 CB 1.346 36 residues pruned to eliminate duplicates Z: 7 8.559 1.533 1.056 0.589 0.833 0.500 N 1.221 7 residues pruned to eliminate duplicates Z: 21 23.276 1.961 0.908 0.694 1.000 0.700 CB 1.165 21 residues pruned to eliminate duplicates Z: 6 4.130 1.566 0.643 0.424 0.800 0.200 N 0.971 6 residues pruned to eliminate duplicates Z: 43 33.578 2.063 0.781 0.543 0.929 0.548 CB 1.456 43 residues pruned to eliminate duplicates Z: 33 31.439 2.101 0.858 0.494 0.938 0.500 CB 1.528 33 residues pruned to eliminate duplicates Z: 8 19.435 1.989 0.874 0.715 1.000 0.571 CA 1.621 8 residues pruned to eliminate duplicates Z: 20 26.987 2.119 0.999 0.445 0.947 0.474 CB 1.632 20 residues pruned to eliminate duplicates Z: 9 12.734 1.672 0.770 0.730 1.000 0.750 CB 1.237 9 residues pruned to eliminate duplicates Z: 43 34.415 2.092 0.822 0.518 0.905 0.571 CB 1.512 43 residues pruned to eliminate duplicates Z: 41 34.346 2.150 0.741 0.517 0.925 0.575 CB 1.541 41 residues pruned to eliminate duplicates Z: 41 38.930 2.112 0.909 0.560 0.925 0.675 CB 1.557 41 residues pruned to eliminate duplicates Z: 42 35.247 2.102 0.797 0.537 0.902 0.585 CB 1.557 42 residues pruned to eliminate duplicates Z: 40 40.415 2.124 0.846 0.575 0.974 0.564 CA 1.576 40 residues pruned to eliminate duplicates Z: 30 32.663 2.126 0.732 0.564 0.931 0.690 CB 1.663 30 residues pruned to eliminate duplicates Z: 42 39.787 2.169 0.807 0.553 0.951 0.634 CB 1.583 42 residues pruned to eliminate duplicates Z: 15 25.944 2.112 1.047 0.710 0.857 0.786 CB 1.546 15 residues pruned to eliminate duplicates Z: 42 39.980 2.164 0.917 0.523 0.951 0.537 CB 1.547 42 residues pruned to eliminate duplicates Z: 41 35.016 2.129 0.811 0.518 0.950 0.575 CB 1.485 41 residues pruned to eliminate duplicates Z: 29 33.424 2.115 0.876 0.530 0.964 0.500 CB 1.602 29 residues pruned to eliminate duplicates Z: 42 39.077 2.156 0.947 0.516 0.951 0.537 CB 1.504 42 residues pruned to eliminate duplicates Z: 29 30.878 2.115 0.791 0.535 0.929 0.607 CB 1.602 29 residues pruned to eliminate duplicates Z: 40 40.177 2.134 0.942 0.553 0.974 0.513 CB 1.513 40 residues pruned to eliminate duplicates Z: 39 35.246 2.161 0.899 0.498 0.868 0.579 CB 1.609 39 residues pruned to eliminate duplicates Z: 43 34.705 2.117 0.850 0.472 0.952 0.548 CB 1.477 43 residues pruned to eliminate duplicates Z: 42 30.933 2.038 0.881 0.504 0.902 0.610 CB 1.390 42 residues pruned to eliminate duplicates Z: 32 33.287 2.122 0.803 0.535 0.968 0.677 CA 1.561 32 residues pruned to eliminate duplicates Z: 42 42.917 2.164 0.925 0.532 1.000 0.512 CB 1.559 52 residues pruned to eliminate duplicates Z: 15 28.253 2.114 0.881 0.750 1.000 0.643 CA 1.520 15 residues pruned to eliminate duplicates Z: 35 28.358 2.113 0.735 0.490 0.882 0.588 CA 1.518 35 residues pruned to eliminate duplicates Z: 43 40.116 2.158 0.952 0.529 0.952 0.571 CB 1.500 43 residues pruned to eliminate duplicates Z: 6 5.031 1.473 1.095 0.340 1.000 0.600 CA 0.868 6 residues pruned to eliminate duplicates Z: 33 34.158 2.101 0.849 0.552 0.969 0.594 CB 1.525 33 residues pruned to eliminate duplicates Z: 41 31.812 2.116 0.674 0.460 0.925 0.575 CB 1.598 41 residues pruned to eliminate duplicates Z: 42 39.088 2.131 0.920 0.515 0.927 0.512 CB 1.586 42 residues pruned to eliminate duplicates Z: 40 31.501 2.110 0.808 0.509 0.872 0.564 CB 1.503 40 residues pruned to eliminate duplicates Z: 10 8.867 1.815 0.383 0.563 0.889 0.444 CB 1.246 10 residues pruned to eliminate duplicates Z: 21 14.564 1.835 0.464 0.600 1.000 0.800 CB 1.102 15 residues pruned to eliminate duplicates Z: 13 13.949 1.874 0.546 0.550 1.000 0.750 CB 1.324 13 residues pruned to eliminate duplicates Z: 38 18.403 1.905 0.387 0.451 0.919 0.568 CB 1.310 38 residues pruned to eliminate duplicates Z: 53 24.355 1.902 0.591 0.404 0.923 0.577 CB 1.337 51 residues pruned to eliminate duplicates Z: 15 12.680 1.809 0.381 0.607 1.000 0.714 CB 1.225 15 residues pruned to eliminate duplicates Z: 42 19.982 1.893 0.659 0.417 0.829 0.634 CB 1.307 42 residues pruned to eliminate duplicates Z: 30 19.976 1.944 0.646 0.372 0.931 0.621 CA 1.428 30 residues pruned to eliminate duplicates Z: 36 22.475 1.961 0.604 0.439 0.943 0.543 CB 1.364 36 residues pruned to eliminate duplicates Z: 43 19.282 1.908 0.560 0.369 0.881 0.595 CB 1.306 43 residues pruned to eliminate duplicates Z: 36 23.208 1.957 0.679 0.458 0.886 0.686 CB 1.408 36 residues pruned to eliminate duplicates Z: 37 22.592 1.953 0.588 0.437 0.944 0.611 CB 1.372 37 residues pruned to eliminate duplicates Z: 25 15.716 1.884 0.682 0.326 0.917 0.500 CA 1.336 25 residues pruned to eliminate duplicates Z: 38 20.424 1.910 0.551 0.399 0.919 0.514 CB 1.372 38 residues pruned to eliminate duplicates Z: 36 20.151 1.948 0.541 0.394 0.943 0.600 CB 1.347 36 residues pruned to eliminate duplicates Z: 40 19.986 1.839 0.681 0.401 0.923 0.590 CB 1.245 40 residues pruned to eliminate duplicates Z: 16 12.606 1.914 0.742 0.278 0.933 0.600 CB 1.344 16 residues pruned to eliminate duplicates Z: 40 21.414 1.936 0.634 0.413 0.897 0.615 CB 1.322 40 residues pruned to eliminate duplicates Z: 40 19.983 1.946 0.690 0.366 0.872 0.590 CB 1.288 40 residues pruned to eliminate duplicates Z: 37 22.692 1.950 0.602 0.450 0.917 0.611 CB 1.390 37 residues pruned to eliminate duplicates Z: 28 21.134 1.979 0.757 0.438 0.889 0.667 CB 1.403 28 residues pruned to eliminate duplicates Z: 27 21.091 1.970 0.661 0.430 0.962 0.692 CB 1.414 27 residues pruned to eliminate duplicates Z: 28 19.520 1.930 0.881 0.418 0.889 0.667 CB 1.268 28 residues pruned to eliminate duplicates Z: 56 26.556 1.913 0.639 0.416 0.927 0.545 CB 1.345 56 residues pruned to eliminate duplicates Z: 44 18.887 1.894 0.493 0.380 0.884 0.605 CB 1.310 44 residues pruned to eliminate duplicates Z: 28 21.508 1.952 0.791 0.466 0.926 0.519 CB 1.324 28 residues pruned to eliminate duplicates Z: 62 22.730 1.857 0.688 0.395 0.869 0.508 CB 1.195 62 residues pruned to eliminate duplicates Z: 38 22.899 1.932 0.702 0.458 0.919 0.676 CB 1.299 38 residues pruned to eliminate duplicates Z: 37 20.613 1.939 0.702 0.399 0.889 0.611 CB 1.303 37 residues pruned to eliminate duplicates Z: 37 19.930 1.926 0.576 0.441 0.889 0.528 CB 1.309 37 residues pruned to eliminate duplicates Z: 26 18.078 2.008 0.627 0.455 0.880 0.680 CB 1.317 26 residues pruned to eliminate duplicates Z: 37 22.485 1.951 0.603 0.439 0.944 0.667 CB 1.352 37 residues pruned to eliminate duplicates Z: 35 21.664 1.889 0.680 0.466 0.941 0.588 CB 1.286 35 residues pruned to eliminate duplicates Z: 18 14.190 1.837 0.659 0.510 0.882 0.529 CB 1.267 18 residues pruned to eliminate duplicates Z: 40 22.039 1.881 0.606 0.370 0.897 0.538 CB 1.497 40 residues pruned to eliminate duplicates Z: 9 6.466 1.674 0.341 0.474 0.875 0.250 CB 1.196 9 residues pruned to eliminate duplicates Z: 19 10.710 1.824 0.526 0.420 0.889 0.278 CB 1.108 19 residues pruned to eliminate duplicates Z: 37 17.569 1.906 0.527 0.436 0.861 0.583 CB 1.248 37 residues pruned to eliminate duplicates Z: 17 14.170 1.937 0.746 0.406 0.938 0.438 CB 1.233 17 residues pruned to eliminate duplicates Z: 16 12.836 1.959 0.661 0.431 0.867 0.333 CB 1.261 16 residues pruned to eliminate duplicates Z: 18 9.907 1.829 0.728 0.351 0.882 0.529 CB 1.013 18 residues pruned to eliminate duplicates Z: 31 15.293 1.729 0.681 0.343 0.933 0.367 CB 1.221 31 residues pruned to eliminate duplicates Z: 35 16.087 1.810 0.624 0.386 0.882 0.441 CB 1.201 35 residues pruned to eliminate duplicates Z: 10 9.640 2.083 0.759 0.378 0.889 0.111 CB 1.124 10 residues pruned to eliminate duplicates Z: 16 11.578 1.922 0.659 0.382 0.867 0.267 CB 1.226 16 residues pruned to eliminate duplicates Z: 10 10.805 2.073 0.805 0.377 0.889 0.111 CB 1.234 10 residues pruned to eliminate duplicates Z: 17 13.896 1.930 0.752 0.408 0.938 0.438 CB 1.208 17 residues pruned to eliminate duplicates Z: 15 14.156 1.988 0.859 0.420 0.857 0.357 CB 1.298 15 residues pruned to eliminate duplicates Z: 16 11.365 1.921 0.678 0.344 0.867 0.267 CB 1.244 16 residues pruned to eliminate duplicates Z: 26 32.150 2.127 0.799 0.594 0.960 0.520 CB 1.599 27 residues pruned to eliminate duplicates Z: 13 32.359 2.250 1.141 0.767 0.917 0.750 CA 1.670 13 residues pruned to eliminate duplicates Z: 28 31.102 2.104 0.846 0.568 0.889 0.630 CB 1.623 28 residues pruned to eliminate duplicates Z: 29 29.868 2.090 0.901 0.558 0.964 0.643 CB 1.393 29 residues pruned to eliminate duplicates Z: 14 30.321 2.055 1.151 0.852 1.000 0.692 CA 1.406 14 residues pruned to eliminate duplicates Z: 29 33.588 2.103 0.877 0.566 0.964 0.643 CB 1.564 29 residues pruned to eliminate duplicates Z: 41 32.847 2.055 0.890 0.522 0.875 0.550 CB 1.495 41 residues pruned to eliminate duplicates Z: 28 31.724 2.042 0.922 0.594 0.926 0.667 CB 1.535 26 residues pruned to eliminate duplicates Z: 13 25.830 2.090 1.191 0.804 0.917 0.667 CA 1.363 13 residues pruned to eliminate duplicates Z: 41 30.036 2.054 0.794 0.538 0.900 0.575 CB 1.380 41 residues pruned to eliminate duplicates Z: 39 35.839 2.097 0.840 0.537 0.974 0.605 CB 1.493 39 residues pruned to eliminate duplicates Z: 26 29.734 2.157 0.724 0.605 0.920 0.720 CA 1.573 26 residues pruned to eliminate duplicates Z: 37 27.929 2.062 0.826 0.496 0.861 0.611 CB 1.442 37 residues pruned to eliminate duplicates Z: 41 32.753 2.068 0.939 0.503 0.900 0.650 CB 1.430 41 residues pruned to eliminate duplicates Z: 43 33.702 2.017 0.922 0.512 0.905 0.524 CB 1.466 43 residues pruned to eliminate duplicates Z: 29 36.006 2.098 1.079 0.579 0.964 0.536 CB 1.499 31 residues pruned to eliminate duplicates Z: 7 4.476 1.381 0.711 0.448 0.833 0.500 N 0.979 7 residues pruned to eliminate duplicates Z: 31 32.769 2.019 0.972 0.582 0.933 0.600 CB 1.488 31 residues pruned to eliminate duplicates Z: 40 37.469 2.082 1.034 0.543 0.974 0.359 CB 1.395 40 residues pruned to eliminate duplicates Z: 41 33.757 2.065 0.938 0.512 0.925 0.500 CB 1.425 41 residues pruned to eliminate duplicates Z: 32 37.230 2.110 0.979 0.601 0.968 0.677 CB 1.503 32 residues pruned to eliminate duplicates Z: 6 4.042 1.562 0.611 0.408 1.000 0.800 CA 0.791 6 residues pruned to eliminate duplicates Z: 33 33.603 2.088 0.941 0.518 0.938 0.688 CB 1.536 33 residues pruned to eliminate duplicates Z: 28 22.663 2.005 0.605 0.619 0.889 0.556 CB 1.363 28 residues pruned to eliminate duplicates Z: 29 22.604 1.972 0.601 0.586 0.893 0.536 CB 1.395 29 residues pruned to eliminate duplicates Z: 28 21.056 1.986 0.609 0.574 0.889 0.593 CB 1.328 28 residues pruned to eliminate duplicates Z: 28 23.622 2.004 0.687 0.602 0.889 0.481 CB 1.373 28 residues pruned to eliminate duplicates Z: 17 18.211 2.059 0.516 0.737 0.875 0.750 CB 1.347 17 residues pruned to eliminate duplicates Z: 23 22.028 1.979 0.837 0.643 0.864 0.545 CB 1.310 22 residues pruned to eliminate duplicates Z: 12 25.635 1.987 1.081 0.922 1.000 0.455 CB 1.314 12 residues pruned to eliminate duplicates Z: 30 23.753 1.943 0.802 0.595 0.897 0.586 CB 1.283 30 residues pruned to eliminate duplicates Z: 37 21.584 1.877 0.661 0.560 0.889 0.306 CB 1.225 37 residues pruned to eliminate duplicates Z: 34 22.121 1.987 0.596 0.630 0.848 0.545 CB 1.267 34 residues pruned to eliminate duplicates Z: 38 24.949 1.920 0.786 0.598 0.865 0.432 CB 1.260 38 residues pruned to eliminate duplicates Z: 23 19.435 1.974 0.851 0.636 0.864 0.409 CB 1.156 23 residues pruned to eliminate duplicates Z: 16 18.999 1.940 0.858 0.685 0.867 0.267 CB 1.325 16 residues pruned to eliminate duplicates Z: 27 27.552 2.021 0.866 0.648 0.962 0.615 CB 1.298 27 residues pruned to eliminate duplicates Z: 13 9.763 1.926 0.665 0.425 0.750 0.583 CB 1.267 13 residues pruned to eliminate duplicates Z: 15 12.908 1.954 0.820 0.341 0.857 0.500 CB 1.345 15 residues pruned to eliminate duplicates Z: 26 23.462 2.053 0.657 0.657 0.880 0.720 CB 1.354 26 residues pruned to eliminate duplicates Z: 13 13.369 1.855 0.825 0.447 0.833 0.583 N 1.444 13 residues pruned to eliminate duplicates Z: 11 12.032 1.882 0.928 0.468 0.800 0.700 N 1.354 11 residues pruned to eliminate duplicates Z: 11 10.809 1.822 0.734 0.427 0.800 0.500 N 1.458 11 residues pruned to eliminate duplicates Z: 35 28.913 1.948 0.902 0.625 0.912 0.412 CB 1.305 35 residues pruned to eliminate duplicates Z: 35 25.870 1.931 0.697 0.618 0.941 0.618 CB 1.286 35 residues pruned to eliminate duplicates Z: 28 25.809 1.982 0.955 0.635 0.926 0.556 CB 1.220 28 residues pruned to eliminate duplicates Z: 28 21.352 1.961 0.752 0.658 0.889 0.519 CB 1.162 28 residues pruned to eliminate duplicates Z: 31 20.882 1.903 0.653 0.501 0.800 0.500 CA 1.514 31 residues pruned to eliminate duplicates Z: 17 9.324 1.907 0.452 0.241 0.812 0.312 CA 1.398 17 residues pruned to eliminate duplicates Z: 21 15.195 1.855 0.766 0.509 0.800 0.450 CB 1.285 21 residues pruned to eliminate duplicates Z: 10 8.209 1.849 0.348 0.610 0.778 0.667 CB 1.272 10 residues pruned to eliminate duplicates Z: 13 8.934 1.728 0.619 0.452 0.917 0.667 CB 1.056 13 residues pruned to eliminate duplicates Z: 11 9.705 1.764 0.413 0.496 1.000 0.500 CB 1.236 11 residues pruned to eliminate duplicates Z: 12 6.320 1.772 0.133 0.502 0.909 0.636 CB 1.042 12 residues pruned to eliminate duplicates Z: 13 5.442 1.752 0.113 0.414 0.833 0.500 CB 1.057 13 residues pruned to eliminate duplicates Z: 31 18.328 1.866 0.612 0.397 0.933 0.567 CB 1.329 31 residues pruned to eliminate duplicates Z: 43 22.830 1.936 0.442 0.572 0.881 0.548 CB 1.336 43 residues pruned to eliminate duplicates Z: 37 23.004 1.922 0.476 0.560 0.917 0.667 CB 1.391 37 residues pruned to eliminate duplicates Z: 26 24.851 1.969 0.534 0.684 0.960 0.640 CA 1.447 26 residues pruned to eliminate duplicates Z: 25 14.365 1.890 0.680 0.385 0.875 0.667 CB 1.193 25 residues pruned to eliminate duplicates Z: 29 13.867 1.858 0.515 0.456 0.821 0.464 CB 1.187 29 residues pruned to eliminate duplicates Z: 26 15.056 1.804 0.624 0.397 0.960 0.560 CA 1.193 26 residues pruned to eliminate duplicates Z: 28 20.064 1.907 0.425 0.582 0.963 0.704 CA 1.363 28 residues pruned to eliminate duplicates Z: 18 17.641 1.963 0.697 0.531 0.941 0.588 CA 1.324 18 residues pruned to eliminate duplicates Z: 22 28.866 1.993 0.801 0.732 1.000 0.762 CA 1.425 22 residues pruned to eliminate duplicates Z: 31 17.773 1.944 0.407 0.458 0.933 0.667 CB 1.327 31 residues pruned to eliminate duplicates Z: 16 21.137 2.055 0.741 0.612 1.000 0.533 CB 1.372 16 residues pruned to eliminate duplicates Z: 23 21.321 1.913 0.619 0.706 0.955 0.773 CA 1.274 23 residues pruned to eliminate duplicates Z: 36 19.435 1.889 0.546 0.505 0.857 0.514 CB 1.305 36 residues pruned to eliminate duplicates Z: 25 23.701 1.991 0.718 0.627 0.875 0.500 CB 1.435 25 residues pruned to eliminate duplicates Z: 22 26.182 2.037 0.751 0.734 0.952 0.667 CA 1.363 22 residues pruned to eliminate duplicates Z: 28 18.389 1.831 0.521 0.651 0.852 0.630 CB 1.296 28 residues pruned to eliminate duplicates Z: 81 37.433 2.006 0.704 0.511 0.913 0.525 CB 1.328 81 residues pruned to eliminate duplicates Z: 25 11.774 1.880 0.725 0.404 0.750 0.500 CB 1.094 25 residues pruned to eliminate duplicates Z: 75 36.498 1.989 0.665 0.568 0.865 0.568 CB 1.386 75 residues pruned to eliminate duplicates Z: 39 19.920 1.885 0.704 0.481 0.895 0.474 CB 1.146 39 residues pruned to eliminate duplicates Z: 26 22.403 1.974 0.843 0.594 0.800 0.480 CB 1.407 26 residues pruned to eliminate duplicates Z: 23 29.271 2.014 1.027 0.699 0.955 0.591 CB 1.335 23 residues pruned to eliminate duplicates Z: 36 27.368 2.029 0.859 0.664 0.886 0.486 CB 1.190 36 residues pruned to eliminate duplicates Z: 42 24.880 1.919 0.800 0.598 0.805 0.390 CB 1.273 42 residues pruned to eliminate duplicates Z: 28 26.243 1.961 0.889 0.650 0.889 0.556 CB 1.334 28 residues pruned to eliminate duplicates Z: 26 21.868 1.896 0.930 0.705 0.880 0.440 CB 1.128 26 residues pruned to eliminate duplicates Z: 14 10.214 1.828 0.665 0.471 0.846 0.538 CB 1.133 14 residues pruned to eliminate duplicates Z: 50 24.163 1.936 0.720 0.556 0.837 0.531 CB 1.174 50 residues pruned to eliminate duplicates Z: 37 20.150 1.889 0.685 0.523 0.861 0.583 CB 1.198 37 residues pruned to eliminate duplicates Z: 48 31.519 1.965 0.683 0.592 0.957 0.532 CB 1.329 48 residues pruned to eliminate duplicates Z: 33 30.785 2.013 1.047 0.607 0.938 0.438 CB 1.272 33 residues pruned to eliminate duplicates Z: 12 10.879 1.990 0.727 0.446 0.818 0.545 CB 1.233 12 residues pruned to eliminate duplicates Z: 91 36.548 1.983 0.682 0.489 0.878 0.511 CB 1.330 91 residues pruned to eliminate duplicates Z: 76 37.617 1.989 0.722 0.558 0.907 0.560 CB 1.323 76 residues pruned to eliminate duplicates Z: 57 35.103 2.059 0.662 0.527 0.946 0.607 CB 1.411 57 residues pruned to eliminate duplicates Z: 86 35.925 1.988 0.609 0.546 0.871 0.565 CB 1.337 86 residues pruned to eliminate duplicates Z: 70 36.653 2.005 0.709 0.539 0.942 0.522 CB 1.315 70 residues pruned to eliminate duplicates Z: 88 39.144 2.005 0.658 0.508 0.931 0.552 CB 1.345 88 residues pruned to eliminate duplicates Z: 78 41.080 2.033 0.641 0.580 0.935 0.623 CB 1.390 78 residues pruned to eliminate duplicates Z: 56 30.123 2.062 0.532 0.499 0.909 0.655 CA 1.415 56 residues pruned to eliminate duplicates Z: 55 21.888 1.922 0.769 0.445 0.870 0.537 CB 1.065 55 residues pruned to eliminate duplicates Z: 53 30.436 2.028 0.692 0.515 0.904 0.712 CB 1.341 53 residues pruned to eliminate duplicates Z: 49 33.451 2.048 0.816 0.538 0.896 0.646 CA 1.396 49 residues pruned to eliminate duplicates Z: 51 29.128 2.024 0.588 0.521 0.920 0.640 CA 1.365 51 residues pruned to eliminate duplicates Z: 87 41.040 2.016 0.635 0.552 0.930 0.628 CB 1.371 87 residues pruned to eliminate duplicates Z: 51 29.366 2.023 0.565 0.531 0.940 0.600 CA 1.353 51 residues pruned to eliminate duplicates Z: 60 30.104 1.999 0.701 0.477 0.881 0.559 CB 1.338 60 residues pruned to eliminate duplicates Z: 52 27.540 2.032 0.556 0.529 0.882 0.647 CA 1.343 52 residues pruned to eliminate duplicates Z: 96 35.148 1.966 0.580 0.506 0.905 0.579 CB 1.275 96 residues pruned to eliminate duplicates Z: 51 32.957 2.042 0.695 0.550 0.960 0.700 CA 1.336 51 residues pruned to eliminate duplicates Z: 49 25.812 2.059 0.521 0.516 0.875 0.562 CA 1.337 49 residues pruned to eliminate duplicates Z: 49 30.548 2.049 0.622 0.548 0.938 0.667 CA 1.350 49 residues pruned to eliminate duplicates Z: 48 27.131 2.042 0.507 0.543 0.915 0.617 CA 1.347 48 residues pruned to eliminate duplicates Z: 35 26.583 2.090 0.659 0.559 0.912 0.588 CA 1.361 35 residues pruned to eliminate duplicates Z: 43 28.814 2.077 0.589 0.568 0.905 0.643 CB 1.394 43 residues pruned to eliminate duplicates Z: 56 31.649 2.013 0.637 0.516 0.945 0.636 CA 1.348 56 residues pruned to eliminate duplicates Z: 91 37.827 1.981 0.711 0.515 0.889 0.511 CB 1.303 91 residues pruned to eliminate duplicates Z: 61 28.689 2.012 0.593 0.484 0.867 0.567 CB 1.355 61 residues pruned to eliminate duplicates Z: 36 30.052 2.067 0.740 0.540 0.943 0.571 CA 1.441 36 residues pruned to eliminate duplicates Z: 61 33.676 2.038 0.642 0.505 0.933 0.600 CB 1.385 61 residues pruned to eliminate duplicates Z: 83 39.797 2.026 0.655 0.547 0.939 0.561 CB 1.333 83 residues pruned to eliminate duplicates Z: 74 31.806 1.986 0.578 0.482 0.918 0.575 CB 1.319 74 residues pruned to eliminate duplicates Z: 54 30.430 2.035 0.656 0.479 0.925 0.698 CA 1.371 54 residues pruned to eliminate duplicates Z: 43 28.905 2.066 0.637 0.559 0.905 0.595 CB 1.376 43 residues pruned to eliminate duplicates Z: 49 32.286 2.052 0.659 0.545 0.958 0.646 CA 1.366 49 residues pruned to eliminate duplicates Z: 48 31.022 2.047 0.668 0.513 0.936 0.617 CA 1.397 48 residues pruned to eliminate duplicates Z: 44 22.515 1.953 0.633 0.450 0.837 0.558 CA 1.355 44 residues pruned to eliminate duplicates Z: 54 29.094 2.019 0.619 0.535 0.887 0.623 CB 1.331 54 residues pruned to eliminate duplicates Z: 60 27.797 1.974 0.618 0.486 0.898 0.559 CB 1.279 60 residues pruned to eliminate duplicates Z: 79 41.881 2.015 0.795 0.527 0.949 0.603 CB 1.346 79 residues pruned to eliminate duplicates Z: 36 30.930 2.079 0.777 0.545 0.943 0.543 CA 1.436 36 residues pruned to eliminate duplicates Z: 84 39.100 2.004 0.658 0.528 0.928 0.494 CB 1.354 84 residues pruned to eliminate duplicates Z: 74 36.447 1.979 0.771 0.584 0.904 0.575 CB 1.242 74 residues pruned to eliminate duplicates Z: 48 32.367 2.071 0.683 0.562 0.915 0.702 CA 1.394 48 residues pruned to eliminate duplicates Z: 46 30.398 2.064 0.601 0.530 0.956 0.644 CA 1.394 46 residues pruned to eliminate duplicates Z: 34 28.610 2.072 0.741 0.597 0.939 0.667 CA 1.339 34 residues pruned to eliminate duplicates Z: 77 36.082 1.988 0.712 0.532 0.868 0.539 CB 1.357 77 residues pruned to eliminate duplicates Z: 95 40.967 1.977 0.743 0.505 0.926 0.543 CB 1.318 95 residues pruned to eliminate duplicates Z: 12 9.150 1.927 0.290 0.520 0.909 0.727 CB 1.196 12 residues pruned to eliminate duplicates Z: 50 27.048 2.054 0.567 0.504 0.878 0.571 CA 1.363 50 residues pruned to eliminate duplicates Z: 51 30.865 2.041 0.681 0.517 0.920 0.600 CA 1.359 51 residues pruned to eliminate duplicates Z: 36 26.840 2.061 0.636 0.544 0.886 0.514 CA 1.456 36 residues pruned to eliminate duplicates Z: 49 36.084 2.061 0.746 0.558 0.979 0.688 CA 1.397 49 residues pruned to eliminate duplicates Z: 57 32.590 2.041 0.583 0.508 0.946 0.643 CB 1.413 57 residues pruned to eliminate duplicates Z: 35 28.148 2.060 0.582 0.558 0.971 0.706 CA 1.443 35 residues pruned to eliminate duplicates Z: 8 9.349 1.859 0.498 0.513 1.000 0.571 CB 1.253 8 residues pruned to eliminate duplicates Z: 13 8.350 1.750 0.347 0.372 1.000 0.583 CB 1.174 13 residues pruned to eliminate duplicates Z: 7 3.916 1.432 0.555 0.338 0.833 0.333 CB 1.027 7 residues pruned to eliminate duplicates Z: 15 6.670 1.712 0.469 0.370 0.786 0.429 CB 1.037 15 residues pruned to eliminate duplicates Z: 17 9.087 1.802 0.320 0.363 0.875 0.438 CA 1.264 17 residues pruned to eliminate duplicates Z: 6 4.404 1.378 0.644 0.393 1.000 0.600 CA 0.973 6 residues pruned to eliminate duplicates Z: 16 7.362 1.768 0.397 0.390 0.800 0.400 CB 1.081 16 residues pruned to eliminate duplicates Z: 19 16.100 1.867 0.663 0.536 0.944 0.556 CB 1.249 19 residues pruned to eliminate duplicates Z: 47 21.693 1.869 0.471 0.514 0.935 0.565 CB 1.227 46 residues pruned to eliminate duplicates Z: 26 20.046 1.836 0.454 0.796 1.000 0.640 CA 1.159 26 residues pruned to eliminate duplicates Z: 38 17.564 1.828 0.463 0.466 0.919 0.568 CB 1.217 38 residues pruned to eliminate duplicates Z: 20 13.263 1.804 0.667 0.523 0.842 0.526 CA 1.175 20 residues pruned to eliminate duplicates Z: 18 14.143 1.777 0.649 0.477 0.941 0.353 CB 1.273 18 residues pruned to eliminate duplicates Z: 33 21.503 1.843 0.502 0.666 0.906 0.750 CB 1.300 33 residues pruned to eliminate duplicates Z: 26 25.350 1.950 0.565 0.791 0.960 0.800 CA 1.340 26 residues pruned to eliminate duplicates Z: 16 12.995 1.748 0.740 0.554 0.933 0.733 CB 1.121 16 residues pruned to eliminate duplicates Z: 37 21.028 1.873 0.464 0.643 0.917 0.611 CA 1.220 37 residues pruned to eliminate duplicates Z: 40 20.235 1.888 0.383 0.589 0.897 0.667 CB 1.270 40 residues pruned to eliminate duplicates Z: 21 20.298 1.968 0.430 0.766 0.950 0.850 CA 1.341 21 residues pruned to eliminate duplicates Z: 30 22.276 1.893 0.535 0.663 0.931 0.690 CA 1.314 30 residues pruned to eliminate duplicates Z: 30 20.800 1.894 0.517 0.652 0.931 0.690 CB 1.253 30 residues pruned to eliminate duplicates Z: 39 24.341 1.911 0.505 0.616 0.921 0.684 CB 1.336 39 residues pruned to eliminate duplicates Z: 38 23.484 1.924 0.526 0.626 0.946 0.649 CB 1.234 38 residues pruned to eliminate duplicates Z: 26 21.948 1.976 0.502 0.790 0.920 0.640 CB 1.247 26 residues pruned to eliminate duplicates Z: 27 21.026 1.915 0.504 0.770 0.962 0.846 CB 1.173 27 residues pruned to eliminate duplicates Z: 26 20.402 1.913 0.438 0.752 1.000 0.800 CB 1.185 26 residues pruned to eliminate duplicates Z: 33 23.656 1.857 0.751 0.622 0.906 0.594 CB 1.265 33 residues pruned to eliminate duplicates Z: 29 23.161 1.935 0.684 0.750 0.929 0.536 CB 1.157 29 residues pruned to eliminate duplicates Z: 25 23.438 1.970 0.540 0.790 0.958 0.667 CA 1.275 25 residues pruned to eliminate duplicates Z: 36 26.081 1.890 0.600 0.718 0.971 0.657 CB 1.232 36 residues pruned to eliminate duplicates Z: 57 29.252 1.929 0.495 0.617 0.911 0.643 CB 1.332 57 residues pruned to eliminate duplicates Z: 23 24.996 1.995 0.517 0.851 0.955 0.727 CB 1.366 23 residues pruned to eliminate duplicates Z: 31 28.307 2.005 0.569 0.736 1.000 0.800 CB 1.329 31 residues pruned to eliminate duplicates Z: 41 24.991 1.927 0.503 0.641 0.975 0.675 CB 1.225 41 residues pruned to eliminate duplicates Z: 10 8.466 1.865 0.620 0.439 0.889 0.556 CA 1.119 10 residues pruned to eliminate duplicates Z: 37 23.070 1.910 0.642 0.645 0.944 0.639 CB 1.133 37 residues pruned to eliminate duplicates Z: 41 25.505 1.928 0.738 0.623 0.900 0.575 CB 1.191 41 residues pruned to eliminate duplicates Z: 31 19.724 1.961 0.584 0.497 0.900 0.633 CB 1.292 31 residues pruned to eliminate duplicates Z: 65 29.788 1.930 0.675 0.550 0.891 0.578 CB 1.232 65 residues pruned to eliminate duplicates Z: 56 31.464 1.948 0.549 0.636 0.945 0.636 CB 1.310 56 residues pruned to eliminate duplicates Z: 67 25.596 1.860 0.633 0.467 0.879 0.470 CB 1.220 67 residues pruned to eliminate duplicates Z: 26 19.225 1.878 0.462 0.508 0.960 0.560 CA 1.447 26 residues pruned to eliminate duplicates Z: 23 20.473 1.948 0.475 0.546 1.000 0.545 CA 1.453 23 residues pruned to eliminate duplicates Z: 23 21.210 1.936 0.477 0.600 0.955 0.682 CA 1.506 23 residues pruned to eliminate duplicates Z: 57 31.137 1.932 0.632 0.579 0.911 0.536 CB 1.342 57 residues pruned to eliminate duplicates Z: 24 17.226 1.927 0.517 0.524 0.826 0.652 CB 1.453 24 residues pruned to eliminate duplicates Z: 31 14.018 1.817 0.439 0.422 0.800 0.400 CB 1.327 31 residues pruned to eliminate duplicates Z: 36 20.822 1.883 0.428 0.555 0.857 0.657 CB 1.447 36 residues pruned to eliminate duplicates Z: 24 19.190 1.940 0.447 0.548 0.957 0.739 CB 1.422 24 residues pruned to eliminate duplicates Z: 31 17.559 1.866 0.425 0.488 0.933 0.633 CB 1.307 31 residues pruned to eliminate duplicates Z: 35 20.529 1.912 0.488 0.563 0.824 0.559 CB 1.413 35 residues pruned to eliminate duplicates Z: 36 18.090 1.858 0.418 0.471 0.943 0.543 CB 1.268 36 residues pruned to eliminate duplicates Z: 24 17.860 1.938 0.556 0.535 0.870 0.522 CB 1.372 24 residues pruned to eliminate duplicates Z: 31 22.140 1.858 0.546 0.630 0.900 0.633 CB 1.384 31 residues pruned to eliminate duplicates Z: 25 18.808 1.902 0.520 0.525 0.917 0.500 CB 1.414 25 residues pruned to eliminate duplicates Z: 32 20.214 1.876 0.472 0.548 0.935 0.581 CB 1.340 32 residues pruned to eliminate duplicates Z: 32 21.195 1.880 0.522 0.555 0.935 0.516 CB 1.348 32 residues pruned to eliminate duplicates Z: 31 17.388 1.888 0.505 0.436 0.900 0.400 CB 1.326 31 residues pruned to eliminate duplicates Z: 31 16.235 1.841 0.494 0.440 0.867 0.500 CA 1.323 31 residues pruned to eliminate duplicates Z: 26 23.417 1.867 0.713 0.508 0.960 0.520 CA 1.513 26 residues pruned to eliminate duplicates Z: 27 19.088 1.861 0.698 0.484 0.885 0.462 CB 1.361 27 residues pruned to eliminate duplicates Z: 31 20.147 1.883 0.537 0.545 0.900 0.633 CB 1.351 31 residues pruned to eliminate duplicates Z: 38 19.539 1.827 0.471 0.529 0.919 0.514 CB 1.263 38 residues pruned to eliminate duplicates Z: 28 21.031 1.941 0.573 0.513 0.926 0.593 CA 1.413 28 residues pruned to eliminate duplicates Z: 13 11.699 1.856 0.385 0.773 0.833 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 11 15.045 1.922 0.553 0.839 0.900 0.900 CA 1.323 11 residues pruned to eliminate duplicates Z: 26 19.385 1.699 0.645 0.778 0.960 0.760 CB 1.130 35 residues pruned to eliminate duplicates Z: 12 13.374 1.902 0.649 0.742 0.818 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 21 12.041 1.859 0.204 0.608 0.900 0.700 CB 1.206 21 residues pruned to eliminate duplicates Z: 22 18.747 1.709 0.710 0.836 1.000 0.762 CA 1.048 22 residues pruned to eliminate duplicates Z: 28 13.163 1.793 0.324 0.632 0.852 0.593 CB 1.106 28 residues pruned to eliminate duplicates Z: 24 19.626 1.738 0.570 0.808 1.000 0.783 CA 1.146 24 residues pruned to eliminate duplicates Z: 20 11.425 1.897 0.255 0.671 0.842 0.684 CB 1.116 20 residues pruned to eliminate duplicates Z: 9 5.290 1.863 0.206 0.646 0.875 0.750 CB 0.830 9 residues pruned to eliminate duplicates Z: 8 7.915 1.704 0.565 0.577 0.857 0.571 CB 1.215 8 residues pruned to eliminate duplicates Z: 8 4.278 1.903 0.172 0.557 0.857 0.714 CB 0.800 8 residues pruned to eliminate duplicates Z: 29 18.464 1.745 0.521 0.740 1.000 0.714 CB 1.060 29 residues pruned to eliminate duplicates Z: 23 13.840 1.783 0.447 0.595 0.864 0.455 CB 1.209 33 residues pruned to eliminate duplicates Z: 6 4.375 1.525 0.696 0.352 0.800 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 12 6.601 1.556 1.067 0.219 0.727 0.182 N 1.184 12 residues pruned to eliminate duplicates Z: 18 13.816 1.699 0.465 0.670 0.882 0.588 CB 1.304 18 residues pruned to eliminate duplicates Z: 17 12.532 1.726 0.373 0.666 0.938 0.625 CB 1.209 17 residues pruned to eliminate duplicates Z: 16 12.830 1.760 0.538 0.676 0.933 0.667 CB 1.115 16 residues pruned to eliminate duplicates Z: 17 18.106 1.740 0.758 0.696 1.000 0.562 CB 1.237 16 residues pruned to eliminate duplicates Z: 10 8.965 1.622 0.680 0.710 0.667 0.333 CB 1.360 10 residues pruned to eliminate duplicates Z: 18 15.287 1.677 0.759 0.608 0.941 0.588 N 1.205 18 residues pruned to eliminate duplicates Z: 19 15.655 1.752 0.759 0.638 0.889 0.389 CB 1.184 19 residues pruned to eliminate duplicates Z: 16 21.178 1.793 0.790 0.771 1.000 0.800 N 1.341 17 residues pruned to eliminate duplicates Z: 14 16.506 1.518 0.965 0.901 1.000 0.615 N 1.096 13 residues pruned to eliminate duplicates Z: 12 17.826 1.710 0.787 0.869 1.000 0.455 CA 1.285 13 residues pruned to eliminate duplicates Z: 12 12.504 1.646 0.565 0.850 0.818 0.364 N 1.325 12 residues pruned to eliminate duplicates Z: 21 13.430 1.840 0.349 0.455 0.950 0.300 CB 1.333 21 residues pruned to eliminate duplicates Z: 18 11.260 1.871 0.396 0.406 0.824 0.588 CB 1.401 18 residues pruned to eliminate duplicates Z: 31 13.213 1.911 0.416 0.308 0.767 0.567 CB 1.440 31 residues pruned to eliminate duplicates Z: 35 18.386 1.942 0.491 0.324 0.882 0.529 CA 1.498 37 residues pruned to eliminate duplicates Z: 14 9.016 1.817 0.226 0.554 0.846 0.692 CB 1.259 14 residues pruned to eliminate duplicates Z: 34 18.213 1.950 0.344 0.368 0.939 0.576 CB 1.483 34 residues pruned to eliminate duplicates Z: 34 18.019 1.964 0.441 0.346 0.879 0.515 CB 1.491 34 residues pruned to eliminate duplicates Z: 36 19.497 1.928 0.481 0.375 0.914 0.543 CB 1.443 36 residues pruned to eliminate duplicates Z: 9 6.346 1.427 0.505 0.665 0.875 0.750 CA 1.025 9 residues pruned to eliminate duplicates Z: 18 8.040 1.823 0.325 0.314 0.765 0.235 CB 1.298 18 residues pruned to eliminate duplicates Z: 34 16.658 1.918 0.485 0.324 0.848 0.455 CB 1.455 34 residues pruned to eliminate duplicates Z: 33 17.910 1.953 0.478 0.360 0.875 0.562 CB 1.457 33 residues pruned to eliminate duplicates Z: 34 19.446 1.952 0.407 0.373 0.939 0.485 CB 1.504 34 residues pruned to eliminate duplicates Z: 34 19.996 1.943 0.502 0.364 0.909 0.455 CA 1.518 34 residues pruned to eliminate duplicates Z: 7 3.587 1.476 0.527 0.522 1.000 0.833 CA 0.636 7 residues pruned to eliminate duplicates Z: 34 18.794 1.963 0.567 0.348 0.848 0.576 CA 1.478 35 residues pruned to eliminate duplicates Z: 6 5.371 1.758 0.688 0.368 0.800 0.800 CB 1.166 6 residues pruned to eliminate duplicates Z: 34 19.632 1.947 0.533 0.365 0.909 0.636 CB 1.457 34 residues pruned to eliminate duplicates Z: 13 14.126 1.951 0.629 0.346 1.000 0.583 CA 1.516 13 residues pruned to eliminate duplicates Z: 14 12.953 1.973 0.488 0.343 0.923 0.308 CA 1.573 14 residues pruned to eliminate duplicates Z: 6 6.118 1.702 0.385 0.461 1.000 0.600 CA 1.208 6 residues pruned to eliminate duplicates Z: 20 9.605 1.837 0.417 0.265 0.842 0.474 CB 1.314 20 residues pruned to eliminate duplicates Z: 9 7.087 1.857 0.250 0.338 1.000 0.375 CB 1.288 9 residues pruned to eliminate duplicates Z: 16 8.085 1.838 0.648 0.262 0.733 0.133 CB 1.233 16 residues pruned to eliminate duplicates Z: 34 19.691 1.939 0.605 0.332 0.909 0.515 CB 1.456 34 residues pruned to eliminate duplicates Z: 14 10.596 1.957 0.571 0.322 0.769 0.385 CB 1.513 14 residues pruned to eliminate duplicates Z: 39 16.059 1.839 0.579 0.419 0.816 0.553 CB 1.196 45 residues pruned to eliminate duplicates Z: 10 9.425 1.966 0.274 0.492 0.889 0.222 CB 1.423 10 residues pruned to eliminate duplicates Z: 24 10.175 1.744 0.493 0.390 0.870 0.348 CB 1.053 62 residues pruned to eliminate duplicates Z: 13 11.281 1.804 0.502 0.459 0.917 0.417 CA 1.368 Z: 13 12.038 1.907 0.451 0.658 0.917 0.667 CB 1.183 13 residues pruned to eliminate duplicates Z: 10 7.613 1.905 0.381 0.508 0.778 0.667 CB 1.231 10 residues pruned to eliminate duplicates Z: 37 17.057 1.911 0.529 0.397 0.944 0.583 CB 1.148 13 residues pruned to eliminate duplicates Z: 9 10.685 1.929 0.394 0.684 1.000 0.750 CA 1.187 9 residues pruned to eliminate duplicates Z: 36 19.194 1.918 0.595 0.422 0.971 0.543 CB 1.184 37 residues pruned to eliminate duplicates Z: 13 11.602 1.921 0.600 0.557 0.833 0.417 CA 1.237 13 residues pruned to eliminate duplicates Z: 37 14.313 1.866 0.429 0.374 0.861 0.583 CB 1.189 37 residues pruned to eliminate duplicates Z: 31 17.159 1.929 0.591 0.415 0.900 0.567 CB 1.240 31 residues pruned to eliminate duplicates Z: 10 9.401 1.954 0.387 0.394 1.000 0.667 CB 1.293 10 residues pruned to eliminate duplicates Z: 30 19.580 1.978 0.624 0.421 0.966 0.655 CB 1.272 30 residues pruned to eliminate duplicates Z: 34 16.517 1.909 0.600 0.410 0.848 0.515 CB 1.219 31 residues pruned to eliminate duplicates Z: 7 4.274 1.502 0.351 0.371 0.833 0.167 C 1.185 7 residues pruned to eliminate duplicates Z: 31 18.073 1.966 0.468 0.392 0.967 0.567 CB 1.326 32 residues pruned to eliminate duplicates Z: 6 4.694 1.655 0.487 0.212 1.000 0.200 CB 1.198 6 residues pruned to eliminate duplicates Z: 30 17.412 1.964 0.581 0.411 0.931 0.586 CB 1.228 30 residues pruned to eliminate duplicates Z: 33 17.252 1.944 0.531 0.404 0.875 0.531 CB 1.296 32 residues pruned to eliminate duplicates Z: 7 8.729 1.808 0.624 0.715 1.000 0.333 CB 0.999 7 residues pruned to eliminate duplicates Z: 10 10.262 1.837 0.617 0.591 1.000 0.333 CB 1.055 10 residues pruned to eliminate duplicates Z: 10 13.186 1.868 0.728 0.663 1.000 0.556 CB 1.172 10 residues pruned to eliminate duplicates Z: 32 15.663 1.887 0.604 0.367 0.839 0.484 CB 1.278 32 residues pruned to eliminate duplicates Z: 25 9.841 1.675 0.685 0.341 0.792 0.458 CB 1.069 25 residues pruned to eliminate duplicates Z: 7 5.653 1.622 0.494 0.414 0.833 0.667 CB 1.250 Z: 6 3.596 1.296 1.033 0.474 1.000 0.400 CA 0.626 6 residues pruned to eliminate duplicates Z: 7 9.078 1.626 1.048 0.545 1.000 0.667 CA 1.065 Z: 6 8.535 1.703 0.430 0.634 1.000 0.400 CA 1.382 6 residues pruned to eliminate duplicates Z: 23 6.170 1.692 0.290 0.219 0.773 0.591 CB 1.085 22 residues pruned to eliminate duplicates Z: 24 26.200 2.041 0.490 0.831 0.957 0.783 CB 1.411 24 residues pruned to eliminate duplicates Z: 27 23.725 2.017 0.419 0.752 0.962 0.654 CB 1.350 27 residues pruned to eliminate duplicates Z: 25 15.763 1.933 0.386 0.572 0.917 0.667 CB 1.222 25 residues pruned to eliminate duplicates Z: 26 30.445 2.087 0.565 0.795 0.960 0.800 CB 1.500 26 residues pruned to eliminate duplicates Z: 13 14.904 1.909 0.786 0.530 0.833 0.583 CA 1.470 13 residues pruned to eliminate duplicates Z: 26 28.812 2.068 0.628 0.764 0.960 0.800 CB 1.410 26 residues pruned to eliminate duplicates Z: 26 32.472 2.083 0.714 0.777 1.000 0.720 CB 1.424 26 residues pruned to eliminate duplicates Z: 48 29.483 1.985 0.518 0.647 0.915 0.638 CA 1.360 63 residues pruned to eliminate duplicates Z: 37 23.638 1.973 0.450 0.685 0.917 0.722 CA 1.268 37 residues pruned to eliminate duplicates Z: 25 31.654 2.119 0.616 0.808 0.958 0.792 CB 1.506 25 residues pruned to eliminate duplicates Z: 25 27.047 2.086 0.543 0.773 0.958 0.708 CA 1.405 25 residues pruned to eliminate duplicates Z: 41 32.410 2.002 0.693 0.641 0.925 0.600 CB 1.432 41 residues pruned to eliminate duplicates Z: 28 27.938 2.017 0.743 0.724 1.000 0.778 CB 1.250 28 residues pruned to eliminate duplicates Z: 39 29.132 1.992 0.578 0.658 0.895 0.632 CA 1.451 39 residues pruned to eliminate duplicates Z: 26 31.021 2.072 0.711 0.785 0.920 0.760 CB 1.480 26 residues pruned to eliminate duplicates Z: 63 28.629 1.878 0.625 0.582 0.903 0.548 CB 1.219 63 residues pruned to eliminate duplicates Z: 26 30.671 2.067 0.565 0.827 0.960 0.800 CB 1.488 26 residues pruned to eliminate duplicates Z: 37 23.923 1.954 0.551 0.606 0.944 0.583 CB 1.259 37 residues pruned to eliminate duplicates Z: 45 33.296 1.977 0.696 0.646 0.955 0.705 CA 1.369 45 residues pruned to eliminate duplicates Z: 39 25.495 1.995 0.628 0.660 0.895 0.605 CB 1.227 39 residues pruned to eliminate duplicates Z: 6 2.325 1.848 0.155 0.396 0.800 0.600 CB 0.679 6 residues pruned to eliminate duplicates 7 1.237 1.523 0.217 0.281 0.667 0.333 CB 0.523 ? Z: 26 33.597 2.088 0.759 0.759 1.000 0.640 CB 1.452 26 residues pruned to eliminate duplicates Z: 32 30.282 2.048 0.706 0.712 0.968 0.710 CB 1.327 32 residues pruned to eliminate duplicates Z: 78 38.617 2.007 0.634 0.585 0.922 0.610 CB 1.341 78 residues pruned to eliminate duplicates Z: 7 6.292 1.830 0.221 0.647 1.000 0.833 CB 1.002 7 residues pruned to eliminate duplicates Z: 11 6.319 1.833 0.311 0.510 0.700 0.500 CA 1.176 11 residues pruned to eliminate duplicates Z: 32 29.980 2.052 0.722 0.688 0.935 0.742 CB 1.371 32 residues pruned to eliminate duplicates Z: 75 37.213 2.030 0.582 0.614 0.905 0.689 CB 1.336 75 residues pruned to eliminate duplicates Z: 91 39.444 2.004 0.574 0.570 0.911 0.600 CB 1.351 91 residues pruned to eliminate duplicates Z: 74 38.295 1.996 0.636 0.563 0.945 0.575 CB 1.366 74 residues pruned to eliminate duplicates Z: 48 33.469 2.010 0.656 0.666 0.915 0.723 CB 1.375 48 residues pruned to eliminate duplicates Z: 40 27.554 1.969 0.564 0.681 0.974 0.590 CA 1.245 40 residues pruned to eliminate duplicates Z: 8 3.554 1.758 -0.063 0.537 0.714 0.429 CA 1.101 8 residues pruned to eliminate duplicates Z: 51 25.627 2.017 0.481 0.524 0.920 0.560 CB 1.288 51 residues pruned to eliminate duplicates Z: 75 32.892 2.010 0.498 0.564 0.919 0.595 CB 1.299 75 residues pruned to eliminate duplicates Z: 38 18.615 1.891 0.506 0.515 0.865 0.459 CB 1.224 38 residues pruned to eliminate duplicates Z: 9 4.618 1.675 0.269 0.389 0.750 0.125 CA 1.151 9 residues pruned to eliminate duplicates Z: 72 33.802 1.974 0.686 0.528 0.887 0.549 CB 1.321 72 residues pruned to eliminate duplicates Z: 34 24.271 2.049 0.524 0.529 0.939 0.636 CB 1.399 34 residues pruned to eliminate duplicates Z: 38 26.256 2.013 0.699 0.526 0.919 0.649 CB 1.339 38 residues pruned to eliminate duplicates Z: 20 11.667 1.941 0.589 0.378 0.789 0.632 CB 1.251 20 residues pruned to eliminate duplicates Z: 38 22.223 2.013 0.453 0.524 0.892 0.649 CB 1.368 38 residues pruned to eliminate duplicates Z: 35 23.471 2.049 0.568 0.510 0.882 0.647 CB 1.405 34 residues pruned to eliminate duplicates 6 1.821 1.416 0.570 0.285 0.800 0.600 CA 0.583 ? Z: 6 4.220 1.463 0.668 0.388 1.000 0.400 CA 0.870 6 residues pruned to eliminate duplicates Z: 35 17.904 1.986 0.537 0.384 0.853 0.500 CB 1.334 35 residues pruned to eliminate duplicates Z: 36 25.184 2.025 0.603 0.532 0.914 0.629 CB 1.390 36 residues pruned to eliminate duplicates Z: 21 13.496 2.025 0.362 0.342 0.900 0.550 CB 1.444 21 residues pruned to eliminate duplicates Z: 36 26.195 2.057 0.636 0.490 0.943 0.657 CA 1.410 36 residues pruned to eliminate duplicates Z: 37 22.265 2.016 0.494 0.514 0.917 0.611 CB 1.325 37 residues pruned to eliminate duplicates Z: 37 23.748 2.036 0.636 0.525 0.861 0.694 CB 1.346 37 residues pruned to eliminate duplicates Z: 46 22.673 1.994 0.525 0.499 0.844 0.644 CB 1.318 46 residues pruned to eliminate duplicates Z: 37 22.121 2.019 0.614 0.493 0.889 0.611 CB 1.282 37 residues pruned to eliminate duplicates Z: 43 22.879 1.990 0.535 0.506 0.857 0.571 CA 1.341 43 residues pruned to eliminate duplicates Z: 39 28.620 2.046 0.704 0.578 0.895 0.632 CB 1.380 39 residues pruned to eliminate duplicates Z: 43 24.726 1.987 0.625 0.590 0.905 0.690 CB 1.199 43 residues pruned to eliminate duplicates Z: 73 32.492 2.014 0.637 0.566 0.875 0.639 CB 1.244 73 residues pruned to eliminate duplicates Z: 30 20.669 2.026 0.636 0.601 0.828 0.552 CB 1.271 30 residues pruned to eliminate duplicates Z: 88 41.210 2.010 0.668 0.588 0.908 0.552 CB 1.333 88 residues pruned to eliminate duplicates Z: 44 25.964 2.005 0.655 0.562 0.884 0.605 CB 1.271 44 residues pruned to eliminate duplicates Z: 21 23.643 1.993 0.811 0.780 0.950 0.650 CB 1.204 20 residues pruned to eliminate duplicates Z: 11 21.097 2.058 0.984 0.801 1.000 0.900 CB 1.256 11 residues pruned to eliminate duplicates Z: 39 28.711 2.010 0.746 0.576 0.921 0.684 CB 1.338 39 residues pruned to eliminate duplicates Z: 39 28.020 2.028 0.688 0.598 0.921 0.632 CB 1.313 39 residues pruned to eliminate duplicates Z: 51 23.036 1.964 0.590 0.507 0.840 0.540 CB 1.233 51 residues pruned to eliminate duplicates Z: 34 23.300 1.986 0.674 0.472 0.939 0.515 CB 1.336 34 residues pruned to eliminate duplicates Z: 36 23.041 2.010 0.734 0.506 0.886 0.600 CB 1.254 36 residues pruned to eliminate duplicates Z: 39 25.510 1.994 0.616 0.530 0.947 0.632 CB 1.316 39 residues pruned to eliminate duplicates 1112 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 6 E: 6 F: 16 G: 9 H: 27 I: 31 J: 43 K: 42 L: 104 M: 81 N: 17 O: 60 P: 41 Q: 96 R: 42 S: 51 T: 28 U: 122 V: 102 W: 34 X: 38 Y: 98 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 36.35 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.512, Connect. = 0.744 for dens.mod. cycle 1 = 0.300, Contrast = 0.598, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.722, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 0.745, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.762, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.770, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.777, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.780, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.783, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.784, Connect. = 0.801 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.95 - 3.93 - 3.44 - 3.13 - 2.90 - 2.73 - 2.60 - 2.48 - 2.39 - 2.30 0.769 0.781 0.765 0.732 0.689 0.668 0.668 0.663 0.645 0.597 0.882 0.887 0.880 0.861 0.826 0.795 0.799 0.799 0.784 0.722 N 7896 7972 7815 7790 8157 7857 7524 8393 7488 7691 Estimated mean FOM = 0.698 Pseudo-free CC = 71.95 % Best trace (cycle 3 with CC 37.07%) was saved as ./2anu-2.3-parrot-noncs/2anu-2.3-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 2.9 - Setup, data input and phasing 48.6 - FFTs and peak-searches 66.3 - Sphere of influence 0.9 - Rest of density modification 0.0 - Alpha-helix search 1662.8 - Tripeptide search 14265.6 - Chain tracing 0.0 - NCS analysis 92.3 - B-value refinement for trace 1.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 03:41:03 Total time: 16140.61 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 270.77 Used memory is bytes: 38187032