++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:36:00 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2afb-2.0-parrot-noncs/2afb-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2afb-2.0-parrot-noncs/2afb-2.0-parrot-noncs.ins Phases from ./2afb-2.0-parrot-noncs/2afb-2.0-parrot-noncs.phi Native data from ./2afb-2.0-parrot-noncs/2afb-2.0-parrot-noncs.hkl Listing output to ./2afb-2.0-parrot-noncs/2afb-2.0-parrot-noncs.lst Phases output to ./2afb-2.0-parrot-noncs/2afb-2.0-parrot-noncs.phs Poly-Ala trace output to ./2afb-2.0-parrot-noncs/2afb-2.0-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 2 Allowed origin shift code: 10 45457 Reflections read from file ./2afb-2.0-parrot-noncs/2afb-2.0-parrot-noncs.phi 45457 Reflections read from file ./2afb-2.0-parrot-noncs/2afb-2.0-parrot-noncs.hkl 45457 Unique data, highest resolution = 2.050 Angstroms Anisotropic scaling: intensities multiplied by 0.000033h^2 +0.000033k^2 -0.000005l^2 +0.000000kl +0.000000hl +0.000033hk 58 Reflections with d > 2.250 and 0 in range 2.250 > d > 2.050 added Density sharpening factor set to 0.68 Fourier grid = 256 x 256 x 60 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.790 = 0.300, Contrast = 0.437, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.457, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.530, Connect. = 0.732 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.741 for dens.mod. cycle 4 = 0.300, Contrast = 0.569, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.579, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.587, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.592, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.597, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.599, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4077 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 789 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 23.057 2.032 0.844 0.910 0.917 0.583 CB 1.374 B: 26 19.731 1.935 0.872 0.484 0.800 0.680 CA 1.384 C: 13 15.084 1.963 0.549 0.553 0.917 0.833 CB 1.483 13 residues pruned to eliminate duplicates D: 12 26.332 2.092 0.867 0.929 1.000 0.727 CB 1.422 13 residues pruned to eliminate duplicates E: 12 19.615 2.017 0.634 0.909 0.909 0.818 CA 1.401 12 residues pruned to eliminate duplicates F: 8 10.498 1.819 0.414 0.862 1.000 0.714 CB 1.133 G: 12 25.192 2.108 0.696 0.932 1.000 0.636 CA 1.483 12 residues pruned to eliminate duplicates H: 17 19.312 1.883 0.723 0.874 0.938 0.812 CB 1.155 I: 16 12.837 1.905 0.295 0.557 0.933 0.600 CB 1.361 10 residues pruned to eliminate duplicates J: 16 18.254 1.861 0.819 0.874 0.933 0.800 CB 1.086 9 residues pruned to eliminate duplicates K: 18 15.222 1.863 0.313 0.617 0.941 0.647 CB 1.435 17 residues pruned to eliminate duplicates L: 18 14.201 1.729 0.625 0.824 0.941 0.647 CA 0.984 17 residues pruned to eliminate duplicates M: 8 5.972 1.665 -0.077 0.918 1.000 0.714 CA 1.037 8 residues pruned to eliminate duplicates N: 12 17.657 2.066 0.353 0.907 0.909 0.818 CA 1.490 12 residues pruned to eliminate duplicates O: 17 10.207 1.900 0.593 0.369 0.750 0.562 CB 1.294 P: 20 19.096 1.899 0.799 0.512 0.947 0.579 CB 1.338 17 residues pruned to eliminate duplicates Q: 7 7.340 1.904 0.532 0.380 0.833 0.667 CA 1.401 R: 16 18.755 1.893 0.839 0.929 1.000 0.733 CB 0.974 S: 12 14.101 1.955 0.731 0.541 0.818 0.727 CA 1.475 12 residues pruned to eliminate duplicates T: 15 14.792 1.840 0.705 0.939 0.929 0.857 CB 0.943 15 residues pruned to eliminate duplicates U: 18 15.722 1.839 0.946 0.489 0.765 0.588 CB 1.409 11 residues pruned to eliminate duplicates V: 13 16.116 1.974 0.375 0.926 1.000 0.917 CA 1.202 W: 21 28.016 1.940 0.774 0.894 1.000 0.750 CB 1.306 X: 19 12.625 1.831 0.548 0.538 0.889 0.667 CB 1.138 18 residues pruned to eliminate duplicates Y: 11 20.074 2.181 0.705 0.905 1.000 0.800 CA 1.215 12 residues pruned to eliminate duplicates Z: 11 8.345 1.744 0.271 0.893 1.000 0.900 CA 0.854 Z: 37 31.993 1.993 0.863 0.754 0.889 0.500 CB 1.288 37 residues pruned to eliminate duplicates Z: 17 18.234 1.833 0.823 0.906 0.938 0.812 CB 1.034 16 residues pruned to eliminate duplicates Z: 14 14.375 1.978 0.597 0.879 1.000 0.846 CB 0.916 14 residues pruned to eliminate duplicates Z: 15 29.940 2.004 1.020 0.909 1.000 0.429 CB 1.402 Z: 23 19.961 1.910 0.748 0.563 0.864 0.636 CA 1.387 23 residues pruned to eliminate duplicates Z: 12 28.791 2.120 0.858 0.936 1.000 0.727 CB 1.535 12 residues pruned to eliminate duplicates Z: 14 23.130 2.128 0.475 0.898 1.000 0.846 CB 1.461 14 residues pruned to eliminate duplicates Z: 16 21.324 1.895 1.132 0.926 1.000 0.867 CB 0.956 16 residues pruned to eliminate duplicates Z: 15 13.611 1.897 0.344 0.935 1.000 1.000 CB 0.994 15 residues pruned to eliminate duplicates Z: 13 21.896 1.961 1.221 0.899 0.917 0.417 CB 1.132 11 residues pruned to eliminate duplicates Z: 20 24.196 1.860 0.819 0.869 0.947 0.632 CB 1.265 Z: 12 32.748 2.107 1.193 0.912 1.000 0.727 CB 1.513 12 residues pruned to eliminate duplicates Z: 16 12.283 1.738 0.275 0.876 1.000 0.867 CB 1.040 16 residues pruned to eliminate duplicates Z: 8 13.654 2.017 0.728 0.676 0.857 0.571 CA 1.469 7 residues pruned to eliminate duplicates Z: 27 18.519 1.837 0.618 0.551 0.885 0.577 CB 1.314 27 residues pruned to eliminate duplicates Z: 19 16.532 1.921 0.642 0.462 0.889 0.500 CA 1.445 19 residues pruned to eliminate duplicates Z: 8 5.235 1.807 0.650 0.560 0.714 0.571 CB 0.876 Z: 11 12.548 1.935 0.544 0.587 0.900 0.500 CB 1.358 Z: 16 17.423 1.922 0.842 0.621 0.933 0.667 CA 1.215 11 residues pruned to eliminate duplicates Z: 23 12.863 1.935 0.534 0.499 0.864 0.636 CB 1.070 8 residues pruned to eliminate duplicates Z: 9 14.504 1.966 0.922 0.584 1.000 0.750 CB 1.252 Z: 15 21.254 1.888 1.281 0.936 1.000 0.786 CB 0.919 15 residues pruned to eliminate duplicates Z: 15 18.899 1.911 0.578 0.938 1.000 0.929 CA 1.165 15 residues pruned to eliminate duplicates Z: 6 5.634 1.845 0.402 0.445 1.000 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 14 21.092 1.961 0.532 0.893 1.000 0.846 CA 1.397 14 residues pruned to eliminate duplicates Z: 8 7.156 1.771 0.218 0.785 1.000 0.571 CB 0.975 Z: 14 23.343 1.926 1.060 0.917 0.923 0.385 CB 1.247 14 residues pruned to eliminate duplicates Z: 24 10.131 1.757 0.613 0.335 0.739 0.391 CB 1.208 10 residues pruned to eliminate duplicates Z: 37 15.772 1.862 0.573 0.401 0.861 0.556 CB 1.158 23 residues pruned to eliminate duplicates Z: 9 15.210 1.918 0.668 0.922 1.000 1.000 CA 1.182 9 residues pruned to eliminate duplicates Z: 44 19.703 1.901 0.527 0.419 0.884 0.488 CB 1.275 25 residues pruned to eliminate duplicates Z: 22 15.182 1.831 0.834 0.441 0.857 0.571 CB 1.224 22 residues pruned to eliminate duplicates Z: 20 22.072 1.872 0.800 0.853 0.947 0.684 CB 1.172 20 residues pruned to eliminate duplicates Z: 20 29.645 1.932 0.919 0.913 0.947 0.368 CB 1.370 20 residues pruned to eliminate duplicates Z: 44 21.172 1.888 0.528 0.453 0.884 0.512 CB 1.329 32 residues pruned to eliminate duplicates Z: 8 8.356 1.624 0.941 0.412 1.000 0.429 CB 1.099 Z: 9 9.163 1.920 0.576 0.387 0.750 0.750 CB 1.609 Z: 15 13.385 1.871 0.638 0.458 0.857 0.429 CB 1.421 15 residues pruned to eliminate duplicates Z: 9 15.189 2.062 0.612 0.611 0.875 0.750 CB 1.663 9 residues pruned to eliminate duplicates Z: 11 9.216 1.834 0.637 0.429 0.800 0.500 CA 1.306 11 residues pruned to eliminate duplicates Z: 6 10.902 1.674 0.777 0.767 1.000 0.600 CA 1.293 6 residues pruned to eliminate duplicates Z: 11 10.836 1.813 1.162 0.499 0.900 0.700 CA 0.973 11 residues pruned to eliminate duplicates Z: 16 16.323 1.891 0.916 0.480 0.867 0.600 CB 1.369 16 residues pruned to eliminate duplicates Z: 12 25.998 2.044 0.774 0.918 1.000 0.636 CB 1.524 12 residues pruned to eliminate duplicates Z: 25 19.076 1.869 0.877 0.461 0.958 0.542 CB 1.206 19 residues pruned to eliminate duplicates Z: 12 20.898 2.122 0.576 0.886 1.000 0.818 CA 1.359 12 residues pruned to eliminate duplicates Z: 11 13.292 2.062 0.498 0.907 1.000 0.800 CB 0.967 11 residues pruned to eliminate duplicates Z: 7 5.225 1.583 0.795 0.781 0.667 0.500 CA 0.879 7 residues pruned to eliminate duplicates Z: 13 22.636 2.049 0.840 0.885 1.000 0.750 CB 1.251 13 residues pruned to eliminate duplicates Z: 14 10.574 1.730 1.102 0.430 0.769 0.615 CB 1.126 14 residues pruned to eliminate duplicates Z: 20 27.924 1.976 0.825 0.900 0.947 0.789 CA 1.340 22 residues pruned to eliminate duplicates Z: 23 13.157 1.715 0.409 0.593 1.000 0.636 CB 1.062 Z: 29 20.539 1.922 0.515 0.624 0.893 0.643 CA 1.328 19 residues pruned to eliminate duplicates Z: 17 20.878 1.775 0.956 0.892 1.000 0.562 CB 1.080 Z: 12 17.663 2.064 1.042 0.934 1.000 0.727 CB 0.881 12 residues pruned to eliminate duplicates Z: 8 10.140 1.769 0.334 0.762 1.000 0.571 CA 1.287 8 residues pruned to eliminate duplicates Z: 20 18.061 1.931 0.352 0.860 0.895 0.737 CB 1.304 20 residues pruned to eliminate duplicates Z: 15 6.390 1.694 0.367 0.379 0.786 0.286 CB 1.067 15 residues pruned to eliminate duplicates Z: 19 22.603 1.827 1.424 0.871 0.944 0.722 CB 0.929 17 residues pruned to eliminate duplicates Z: 13 21.472 1.951 1.088 0.918 0.833 0.417 CB 1.288 12 residues pruned to eliminate duplicates Z: 14 13.353 1.723 0.621 0.858 0.923 0.692 CB 1.057 14 residues pruned to eliminate duplicates Z: 12 25.653 2.121 0.802 0.930 1.000 0.909 CB 1.415 12 residues pruned to eliminate duplicates Z: 16 24.607 1.969 1.067 0.904 1.000 0.533 CB 1.112 16 residues pruned to eliminate duplicates Z: 12 16.186 1.961 0.952 0.882 0.818 0.364 CB 1.127 12 residues pruned to eliminate duplicates Z: 19 17.468 1.884 0.954 0.509 0.889 0.667 CA 1.247 19 residues pruned to eliminate duplicates Z: 6 4.235 1.701 0.563 0.635 0.600 0.400 CA 1.045 6 residues pruned to eliminate duplicates Z: 8 6.231 1.750 0.565 0.565 0.857 0.571 CB 0.942 Z: 19 29.233 2.046 0.575 0.935 1.000 0.722 CA 1.490 19 residues pruned to eliminate duplicates Z: 13 17.662 1.794 0.694 0.925 1.000 0.667 CB 1.177 13 residues pruned to eliminate duplicates Z: 16 19.610 1.769 0.906 0.914 0.933 0.733 CB 1.138 16 residues pruned to eliminate duplicates Z: 16 19.481 1.922 0.714 0.891 1.000 0.667 CB 1.098 16 residues pruned to eliminate duplicates Z: 7 3.260 1.632 0.475 0.288 0.667 0.333 CB 1.052 Z: 26 22.582 1.935 0.678 0.527 1.000 0.680 CA 1.354 25 residues pruned to eliminate duplicates Z: 13 20.978 1.923 0.945 0.930 1.000 0.833 CB 1.132 13 residues pruned to eliminate duplicates Z: 16 9.766 1.771 0.618 0.440 0.867 0.467 CB 1.081 15 residues pruned to eliminate duplicates Z: 10 15.167 2.013 0.276 0.755 1.000 0.667 CA 1.568 10 residues pruned to eliminate duplicates Z: 13 7.182 1.578 0.677 0.513 0.750 0.583 CA 1.031 Z: 14 20.203 1.909 0.913 0.907 0.923 0.846 CB 1.181 14 residues pruned to eliminate duplicates Z: 7 5.701 1.600 0.436 0.686 1.000 0.667 CB 0.854 7 residues pruned to eliminate duplicates Z: 12 18.170 1.674 0.975 0.867 1.000 0.727 CB 1.212 7 residues pruned to eliminate duplicates Z: 16 14.671 1.756 0.239 0.914 1.000 1.000 CA 1.231 16 residues pruned to eliminate duplicates Z: 19 30.670 1.977 0.958 0.917 1.000 0.889 CB 1.318 20 residues pruned to eliminate duplicates Z: 13 24.171 2.016 1.186 0.936 1.000 0.667 CA 1.102 14 residues pruned to eliminate duplicates Z: 13 21.820 1.856 1.355 0.911 1.000 0.500 CB 1.021 12 residues pruned to eliminate duplicates Z: 20 17.638 1.828 0.918 0.859 0.842 0.579 CB 1.009 20 residues pruned to eliminate duplicates Z: 12 5.373 1.626 0.292 0.343 0.909 0.364 CB 1.006 Z: 11 15.212 1.754 0.757 0.921 1.000 1.000 CA 1.098 11 residues pruned to eliminate duplicates Z: 9 22.101 1.925 1.163 0.915 1.000 0.875 CA 1.327 9 residues pruned to eliminate duplicates Z: 18 14.134 1.798 0.835 0.519 0.882 0.529 CB 1.155 18 residues pruned to eliminate duplicates Z: 7 4.978 1.679 0.356 0.629 0.833 0.667 CB 0.949 Z: 19 21.585 1.870 0.963 0.862 0.944 0.556 CB 1.078 19 residues pruned to eliminate duplicates Z: 17 16.230 1.803 1.251 0.884 0.938 0.562 CB 0.771 17 residues pruned to eliminate duplicates Z: 20 14.676 1.923 0.249 0.846 0.842 0.737 CA 1.236 20 residues pruned to eliminate duplicates Z: 10 9.376 1.605 0.900 0.662 0.889 0.889 CB 0.992 Z: 18 21.764 1.901 0.608 0.905 0.941 0.588 CB 1.306 18 residues pruned to eliminate duplicates Z: 8 8.972 1.442 0.789 0.834 1.000 0.571 CB 0.985 8 residues pruned to eliminate duplicates Z: 22 14.804 1.838 0.795 0.445 0.857 0.619 CB 1.210 22 residues pruned to eliminate duplicates Z: 12 20.998 1.919 1.450 0.925 0.909 0.364 CB 1.039 11 residues pruned to eliminate duplicates Z: 24 19.894 1.818 0.673 0.743 0.913 0.478 CB 1.202 24 residues pruned to eliminate duplicates Z: 27 16.681 1.698 0.624 0.646 0.923 0.692 CB 1.122 23 residues pruned to eliminate duplicates Z: 7 9.176 1.555 0.762 0.764 0.833 0.500 O 1.298 7 residues pruned to eliminate duplicates Z: 11 29.750 2.138 1.280 0.919 1.000 0.600 CA 1.361 12 residues pruned to eliminate duplicates Z: 20 25.962 1.884 0.795 0.900 1.000 0.737 CB 1.258 19 residues pruned to eliminate duplicates Z: 20 24.603 1.877 0.814 0.903 0.895 0.842 CA 1.320 20 residues pruned to eliminate duplicates Z: 10 12.349 1.758 0.870 0.569 0.889 0.667 CB 1.318 11 residues pruned to eliminate duplicates Z: 18 28.888 1.947 0.907 0.914 1.000 0.765 CB 1.334 18 residues pruned to eliminate duplicates Z: 16 19.131 1.815 0.717 0.905 0.933 0.533 CB 1.209 16 residues pruned to eliminate duplicates Z: 6 7.857 1.652 0.455 0.768 1.000 1.000 CB 1.152 7 residues pruned to eliminate duplicates Z: 17 5.796 1.598 0.678 0.306 0.562 0.375 CA 1.192 17 residues pruned to eliminate duplicates Z: 13 26.127 2.000 1.141 0.928 0.917 0.667 CA 1.345 13 residues pruned to eliminate duplicates Z: 10 14.880 1.933 0.840 0.839 1.000 0.778 CB 1.042 10 residues pruned to eliminate duplicates Z: 6 6.750 1.604 0.667 0.557 1.000 0.800 CA 1.067 6 residues pruned to eliminate duplicates Z: 15 10.800 1.666 0.579 0.649 0.857 0.643 CB 1.114 8 residues pruned to eliminate duplicates Z: 21 24.603 1.920 0.527 0.870 1.000 0.700 CA 1.370 21 residues pruned to eliminate duplicates Z: 10 4.252 1.469 0.993 0.409 0.667 0.333 CB 0.799 10 residues pruned to eliminate duplicates Z: 20 14.051 1.822 0.988 0.396 0.895 0.421 CA 1.110 20 residues pruned to eliminate duplicates Z: 8 3.782 1.457 0.576 0.279 0.857 0.429 CB 0.933 Z: 17 13.842 1.852 0.392 0.861 1.000 0.938 CB 0.986 17 residues pruned to eliminate duplicates Z: 26 18.766 1.893 0.932 0.616 0.840 0.280 CB 1.094 26 residues pruned to eliminate duplicates Z: 28 9.826 1.754 0.403 0.437 0.778 0.296 CB 1.054 28 residues pruned to eliminate duplicates Z: 11 4.250 1.425 0.459 0.429 0.700 0.600 CA 0.994 Z: 21 15.385 1.799 0.545 0.612 0.950 0.350 CB 1.171 20 residues pruned to eliminate duplicates Z: 6 5.769 1.768 0.251 0.842 1.000 0.800 CB 0.869 6 residues pruned to eliminate duplicates Z: 13 25.657 2.077 0.789 0.892 1.000 0.833 CB 1.432 13 residues pruned to eliminate duplicates Z: 15 21.878 2.008 0.548 0.875 1.000 0.929 CA 1.368 15 residues pruned to eliminate duplicates Z: 20 24.927 2.013 0.707 0.852 0.895 0.474 CA 1.376 20 residues pruned to eliminate duplicates Z: 7 4.443 1.547 0.503 0.549 0.833 0.667 CB 0.892 5 residues pruned to eliminate duplicates Z: 15 17.177 1.812 0.966 0.928 1.000 0.571 CB 0.903 15 residues pruned to eliminate duplicates Z: 8 11.220 1.741 0.671 0.767 1.000 0.857 CB 1.151 8 residues pruned to eliminate duplicates Z: 12 13.761 1.676 0.655 0.906 1.000 0.818 CA 1.064 12 residues pruned to eliminate duplicates Z: 20 26.468 1.833 0.869 0.926 0.947 0.474 CB 1.312 20 residues pruned to eliminate duplicates Z: 9 4.109 1.609 0.023 0.470 0.875 0.750 CB 1.040 9 residues pruned to eliminate duplicates Z: 16 15.548 1.747 0.316 0.890 1.000 0.600 CB 1.256 Z: 12 13.615 1.677 0.971 0.828 0.818 0.545 CB 1.143 12 residues pruned to eliminate duplicates Z: 8 11.878 1.760 0.528 0.834 1.000 1.000 CB 1.251 8 residues pruned to eliminate duplicates Z: 10 14.876 1.866 0.462 0.888 1.000 0.889 CB 1.310 10 residues pruned to eliminate duplicates Z: 9 5.109 1.621 0.406 0.410 0.750 0.500 N 1.161 6 residues pruned to eliminate duplicates Z: 16 12.358 1.816 0.560 0.768 0.867 0.467 CB 1.025 16 residues pruned to eliminate duplicates Z: 15 11.783 1.554 0.439 0.919 1.000 0.643 CB 0.993 14 residues pruned to eliminate duplicates Z: 10 7.131 1.814 0.470 0.432 0.778 0.667 CA 1.230 10 residues pruned to eliminate duplicates Z: 55 36.021 1.926 1.058 0.725 0.907 0.463 CB 1.112 54 residues pruned to eliminate duplicates Z: 23 13.073 1.772 0.611 0.540 0.909 0.591 CB 1.033 13 residues pruned to eliminate duplicates Z: 15 16.556 2.035 0.178 0.921 1.000 0.929 CB 1.300 15 residues pruned to eliminate duplicates Z: 12 20.476 2.147 0.805 0.927 1.000 0.818 CB 1.117 12 residues pruned to eliminate duplicates Z: 11 13.116 1.769 0.771 0.679 0.900 0.700 CA 1.247 11 residues pruned to eliminate duplicates Z: 6 9.957 1.748 0.360 0.889 1.000 1.000 CA 1.347 Z: 34 19.200 1.805 0.457 0.573 0.909 0.545 CA 1.303 22 residues pruned to eliminate duplicates Z: 23 15.655 1.770 0.749 0.563 0.909 0.591 CB 1.116 20 residues pruned to eliminate duplicates Z: 20 25.122 1.989 0.695 0.898 0.895 0.737 CB 1.366 20 residues pruned to eliminate duplicates Z: 19 25.796 1.879 0.879 0.904 0.889 0.722 CB 1.380 19 residues pruned to eliminate duplicates Z: 20 10.349 1.854 0.482 0.399 0.789 0.632 CA 1.217 20 residues pruned to eliminate duplicates Z: 12 9.955 1.796 0.456 0.570 0.909 0.727 CA 1.179 12 residues pruned to eliminate duplicates Z: 17 12.767 1.728 0.181 0.889 1.000 0.875 CB 1.125 17 residues pruned to eliminate duplicates Z: 25 15.987 1.788 0.716 0.499 0.958 0.625 CB 1.111 26 residues pruned to eliminate duplicates Z: 40 22.560 1.899 0.616 0.480 0.923 0.641 CB 1.301 40 residues pruned to eliminate duplicates Z: 8 3.452 1.473 0.415 0.213 0.857 0.714 CA 1.024 8 residues pruned to eliminate duplicates Z: 11 17.335 1.838 0.979 0.929 1.000 0.700 CA 1.055 11 residues pruned to eliminate duplicates Z: 34 15.628 1.874 0.412 0.435 0.939 0.515 CB 1.170 32 residues pruned to eliminate duplicates Z: 15 13.775 1.772 0.697 0.659 0.857 0.429 CB 1.233 11 residues pruned to eliminate duplicates Z: 25 16.940 1.886 1.009 0.465 0.958 0.625 CB 0.987 24 residues pruned to eliminate duplicates Z: 17 12.376 1.593 0.497 0.864 0.938 0.625 CB 1.014 Z: 16 20.078 1.773 0.828 0.901 1.000 0.800 CB 1.142 16 residues pruned to eliminate duplicates Z: 8 3.910 1.583 0.065 0.485 0.857 0.571 CB 1.038 Z: 25 22.560 1.840 0.645 0.753 0.917 0.667 CB 1.325 22 residues pruned to eliminate duplicates Z: 25 12.626 1.776 0.571 0.446 0.917 0.625 CB 1.066 22 residues pruned to eliminate duplicates Z: 15 16.048 1.941 0.898 0.426 0.929 0.357 CB 1.354 15 residues pruned to eliminate duplicates Z: 23 15.252 1.910 0.971 0.495 0.818 0.591 CB 1.061 23 residues pruned to eliminate duplicates Z: 11 17.228 1.917 0.802 0.696 0.900 0.900 CA 1.464 11 residues pruned to eliminate duplicates Z: 19 25.323 2.036 0.683 0.859 0.944 0.778 CB 1.356 19 residues pruned to eliminate duplicates Z: 12 17.286 2.026 0.501 0.921 1.000 0.909 CB 1.207 12 residues pruned to eliminate duplicates Z: 13 11.341 1.809 0.662 0.437 0.917 0.667 CB 1.268 13 residues pruned to eliminate duplicates Z: 42 26.511 1.892 0.640 0.627 0.951 0.683 CB 1.244 42 residues pruned to eliminate duplicates Z: 10 10.984 1.899 0.775 0.837 0.889 0.667 CB 0.914 10 residues pruned to eliminate duplicates 6 1.770 1.530 -0.077 0.367 0.800 0.400 C 0.809 ? Z: 13 20.481 2.080 0.459 0.890 1.000 0.917 CA 1.402 13 residues pruned to eliminate duplicates Z: 22 14.529 1.785 0.611 0.553 0.857 0.714 CB 1.221 15 residues pruned to eliminate duplicates Z: 7 5.139 1.606 0.565 0.543 1.000 0.667 CB 0.800 Z: 7 9.409 1.711 0.267 0.791 1.000 0.667 CA 1.372 Z: 13 26.075 1.911 1.331 0.914 1.000 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 12 13.870 1.811 0.881 0.635 0.818 0.455 CB 1.321 12 residues pruned to eliminate duplicates Z: 24 15.114 1.851 0.642 0.523 0.957 0.522 CB 1.060 24 residues pruned to eliminate duplicates Z: 15 10.742 1.554 0.447 0.903 1.000 0.714 CB 0.910 15 residues pruned to eliminate duplicates Z: 6 7.649 1.794 0.589 0.650 0.800 0.800 CB 1.304 6 residues pruned to eliminate duplicates Z: 44 18.682 1.902 0.498 0.405 0.884 0.419 CB 1.250 44 residues pruned to eliminate duplicates Z: 6 5.799 1.709 0.654 0.712 0.800 0.400 CA 0.946 6 residues pruned to eliminate duplicates Z: 11 8.816 1.789 0.524 0.488 0.900 0.800 CB 1.151 11 residues pruned to eliminate duplicates Z: 10 11.341 1.801 0.520 0.589 1.000 0.667 CA 1.268 10 residues pruned to eliminate duplicates Z: 17 13.198 1.703 0.239 0.864 1.000 0.812 CA 1.146 17 residues pruned to eliminate duplicates Z: 8 17.732 1.991 1.095 0.883 1.000 1.000 CB 1.162 8 residues pruned to eliminate duplicates Z: 16 15.067 1.727 0.377 0.926 1.000 1.000 CB 1.146 16 residues pruned to eliminate duplicates Z: 19 16.994 1.793 0.647 0.709 1.000 0.833 CB 1.122 19 residues pruned to eliminate duplicates Z: 23 9.951 1.867 0.355 0.360 0.773 0.364 CA 1.262 23 residues pruned to eliminate duplicates Z: 9 8.384 1.744 0.496 0.494 1.000 0.500 CB 1.143 9 residues pruned to eliminate duplicates Z: 20 26.222 1.965 0.718 0.914 0.947 0.737 CA 1.330 20 residues pruned to eliminate duplicates Z: 9 12.025 1.672 0.685 0.824 1.000 0.500 CB 1.140 9 residues pruned to eliminate duplicates Z: 15 11.844 1.799 0.198 0.872 0.929 0.643 CB 1.153 15 residues pruned to eliminate duplicates Z: 21 12.141 1.730 0.777 0.471 0.750 0.650 CB 1.213 31 residues pruned to eliminate duplicates Z: 25 11.770 1.654 0.974 0.271 0.875 0.500 CB 1.091 15 residues pruned to eliminate duplicates Z: 14 13.188 1.708 0.686 0.574 1.000 0.462 CA 1.183 12 residues pruned to eliminate duplicates Z: 14 13.573 1.823 0.288 0.860 0.923 0.615 CB 1.277 14 residues pruned to eliminate duplicates Z: 15 12.261 1.730 0.324 0.902 0.857 0.643 CB 1.191 15 residues pruned to eliminate duplicates Z: 11 9.176 1.525 0.495 0.634 1.000 0.800 CA 1.122 8 residues pruned to eliminate duplicates Z: 7 8.554 1.723 0.314 0.738 1.000 0.833 CA 1.246 6 residues pruned to eliminate duplicates Z: 8 7.377 1.591 0.705 0.757 0.714 0.286 CB 1.145 8 residues pruned to eliminate duplicates Z: 12 15.641 2.073 0.685 0.864 0.727 0.545 CB 1.361 12 residues pruned to eliminate duplicates Z: 16 12.121 1.580 0.447 0.931 1.000 0.733 CB 0.956 15 residues pruned to eliminate duplicates Z: 14 8.939 1.579 0.323 0.898 0.846 0.692 CB 1.003 14 residues pruned to eliminate duplicates Z: 9 8.799 1.689 0.544 0.664 1.000 0.625 CB 1.026 9 residues pruned to eliminate duplicates Z: 13 17.164 2.051 0.802 0.927 1.000 0.750 CB 0.940 13 residues pruned to eliminate duplicates Z: 9 11.123 1.804 0.574 0.790 1.000 0.750 CA 1.073 9 residues pruned to eliminate duplicates Z: 14 17.302 1.859 0.672 0.558 1.000 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 8 7.637 1.585 0.720 0.777 0.857 0.714 CA 0.968 8 residues pruned to eliminate duplicates Z: 8 6.365 1.565 0.498 0.769 0.857 0.571 CB 0.943 8 residues pruned to eliminate duplicates Z: 15 10.889 1.735 0.665 0.541 0.857 0.643 CA 1.129 15 residues pruned to eliminate duplicates Z: 9 9.258 1.652 0.642 0.771 0.875 0.375 CB 1.085 9 residues pruned to eliminate duplicates Z: 20 12.602 1.849 0.653 0.461 0.737 0.579 CB 1.336 20 residues pruned to eliminate duplicates Z: 35 14.003 1.830 0.588 0.428 0.794 0.529 CB 1.121 39 residues pruned to eliminate duplicates Z: 10 16.756 1.896 0.854 0.914 1.000 0.889 CB 1.124 11 residues pruned to eliminate duplicates Z: 18 8.476 1.432 0.727 0.511 0.824 0.353 CB 0.998 20 residues pruned to eliminate duplicates Z: 18 15.501 1.664 0.745 0.889 0.941 0.588 CB 0.990 17 residues pruned to eliminate duplicates Z: 9 6.144 1.618 0.338 0.571 0.875 0.500 CB 1.071 Z: 17 28.212 2.046 0.755 0.928 1.000 0.875 CB 1.375 17 residues pruned to eliminate duplicates Z: 7 5.750 1.615 0.685 0.645 0.667 0.667 CB 1.130 Z: 14 25.399 2.058 0.826 0.873 1.000 0.769 CB 1.365 14 residues pruned to eliminate duplicates Z: 9 6.406 1.597 0.463 0.465 0.750 0.625 O 1.339 Z: 22 18.589 1.834 0.600 0.879 0.905 0.810 CA 1.108 22 residues pruned to eliminate duplicates Z: 6 4.202 1.560 0.330 0.584 0.800 0.600 N 1.045 Z: 18 11.578 1.735 0.226 0.589 1.000 0.706 CB 1.212 19 residues pruned to eliminate duplicates Z: 8 7.553 1.909 0.054 0.878 1.000 0.857 CA 1.030 8 residues pruned to eliminate duplicates Z: 12 4.066 1.686 0.507 0.289 0.636 0.364 CB 0.961 12 residues pruned to eliminate duplicates Z: 44 18.937 1.841 0.634 0.431 0.884 0.558 CB 1.168 94 residues pruned to eliminate duplicates Z: 6 11.929 1.781 1.205 0.819 1.000 0.600 CA 1.030 Z: 24 12.422 1.647 0.349 0.633 0.870 0.435 CB 1.183 24 residues pruned to eliminate duplicates Z: 18 24.140 1.973 0.598 0.908 0.941 0.706 CA 1.402 18 residues pruned to eliminate duplicates Z: 7 5.364 1.662 0.555 0.528 0.833 0.333 CB 0.990 7 residues pruned to eliminate duplicates Z: 31 13.170 1.868 0.500 0.373 0.833 0.500 CB 1.180 29 residues pruned to eliminate duplicates Z: 16 18.586 1.895 0.810 0.914 0.933 0.867 CB 1.060 16 residues pruned to eliminate duplicates Z: 8 4.462 1.370 0.248 0.541 0.857 0.429 CB 1.105 Z: 26 10.361 1.804 0.479 0.375 0.720 0.320 CB 1.232 26 residues pruned to eliminate duplicates Z: 9 9.084 1.790 0.838 0.588 0.875 0.750 CB 1.025 9 residues pruned to eliminate duplicates Z: 16 13.138 1.714 0.343 0.834 0.933 0.733 CA 1.183 16 residues pruned to eliminate duplicates Z: 16 6.431 1.625 0.280 0.397 0.933 0.467 CB 0.954 Z: 7 9.104 1.753 0.462 0.775 1.000 0.833 CB 1.138 7 residues pruned to eliminate duplicates Z: 10 10.510 1.778 0.163 0.909 1.000 1.000 CA 1.202 10 residues pruned to eliminate duplicates Z: 43 16.823 1.835 0.571 0.434 0.786 0.452 CB 1.227 43 residues pruned to eliminate duplicates Z: 21 16.258 2.011 0.576 0.530 0.850 0.550 CB 1.310 21 residues pruned to eliminate duplicates Z: 11 16.268 1.784 0.830 0.926 1.000 0.800 CB 1.105 11 residues pruned to eliminate duplicates Z: 15 9.425 1.581 0.680 0.423 0.857 0.500 CB 1.198 Z: 16 17.064 1.773 0.603 0.900 1.000 0.667 CB 1.107 16 residues pruned to eliminate duplicates Z: 10 6.240 1.558 0.329 0.604 0.889 0.667 CB 1.023 Z: 18 26.644 1.938 0.697 0.922 1.000 0.765 CB 1.383 22 residues pruned to eliminate duplicates Z: 15 15.922 1.817 0.407 0.900 0.929 0.786 CB 1.281 15 residues pruned to eliminate duplicates Z: 17 13.979 1.736 0.441 0.844 1.000 0.688 CA 1.040 17 residues pruned to eliminate duplicates Z: 7 2.133 1.367 0.205 0.317 0.833 0.500 CA 0.777 Z: 12 10.648 1.523 0.665 0.669 1.000 0.636 CA 1.083 10 residues pruned to eliminate duplicates Z: 15 12.224 1.799 0.276 0.806 0.857 0.643 CB 1.271 15 residues pruned to eliminate duplicates Z: 6 2.138 1.911 -0.006 0.293 0.600 0.400 CB 1.057 Z: 36 23.213 1.936 0.794 0.550 0.914 0.514 CB 1.177 25 residues pruned to eliminate duplicates Z: 16 18.314 1.778 1.046 0.939 1.000 0.800 CB 0.904 16 residues pruned to eliminate duplicates Z: 6 5.386 1.627 0.528 0.509 0.800 0.800 CA 1.200 Z: 20 8.478 1.805 0.383 0.322 0.737 0.474 CB 1.285 20 residues pruned to eliminate duplicates Z: 16 20.170 1.946 1.053 0.915 0.933 0.600 CB 0.987 16 residues pruned to eliminate duplicates Z: 18 17.264 1.757 0.608 0.914 1.000 0.824 CB 1.048 18 residues pruned to eliminate duplicates Z: 27 11.875 1.583 0.392 0.669 1.000 0.769 CB 0.904 27 residues pruned to eliminate duplicates Z: 6 8.541 1.780 0.766 0.821 0.800 0.600 CA 1.150 6 residues pruned to eliminate duplicates Z: 18 5.836 1.736 0.556 0.205 0.706 0.471 CB 1.053 18 residues pruned to eliminate duplicates Z: 64 26.640 1.761 0.549 0.588 0.921 0.603 CB 1.229 64 residues pruned to eliminate duplicates Z: 7 3.806 1.623 0.352 0.814 0.667 0.667 CB 0.809 7 residues pruned to eliminate duplicates Z: 7 6.662 1.484 0.714 0.563 1.000 0.833 CA 1.006 7 residues pruned to eliminate duplicates Z: 9 12.429 1.913 0.808 0.532 0.875 0.750 CA 1.408 Z: 88 33.459 1.878 0.875 0.562 0.920 0.460 CB 1.044 135 residues pruned to eliminate duplicates Z: 6 8.644 1.740 0.796 0.851 0.800 0.600 CA 1.145 6 residues pruned to eliminate duplicates Z: 8 8.263 1.552 0.947 0.780 0.857 0.714 CA 0.942 Z: 21 13.580 1.745 0.735 0.405 0.900 0.700 CA 1.232 21 residues pruned to eliminate duplicates Z: 8 12.061 1.925 0.630 0.608 0.857 0.857 CB 1.530 8 residues pruned to eliminate duplicates Z: 9 10.134 1.641 1.073 0.633 0.875 0.875 CB 1.062 9 residues pruned to eliminate duplicates Z: 11 9.156 1.674 0.881 0.508 0.900 0.700 CB 1.014 13 residues pruned to eliminate duplicates Z: 12 6.331 1.863 0.281 0.286 0.818 0.364 CB 1.244 12 residues pruned to eliminate duplicates Z: 6 6.402 1.650 0.297 0.754 1.000 0.800 CA 1.066 Z: 14 11.111 1.780 0.013 0.855 1.000 0.615 CB 1.261 14 residues pruned to eliminate duplicates Z: 11 7.646 1.606 0.590 0.643 1.000 0.500 CB 0.829 11 residues pruned to eliminate duplicates Z: 6 8.424 1.699 0.717 0.696 0.800 0.800 CA 1.350 6 residues pruned to eliminate duplicates Z: 7 4.536 1.592 0.593 0.554 0.667 0.333 N 1.039 7 residues pruned to eliminate duplicates Z: 18 15.619 1.855 0.673 0.538 0.882 0.588 CA 1.333 18 residues pruned to eliminate duplicates Z: 23 16.643 1.891 0.867 0.363 0.909 0.500 CA 1.281 23 residues pruned to eliminate duplicates Z: 12 10.738 1.732 0.721 0.556 0.909 0.727 CB 1.131 Z: 7 7.304 1.508 0.957 0.713 1.000 0.833 CB 0.833 Z: 6 5.062 1.369 0.767 0.665 1.000 0.800 CB 0.803 6 residues pruned to eliminate duplicates Z: 10 6.540 1.482 0.779 0.828 0.889 0.667 CB 0.700 10 residues pruned to eliminate duplicates Z: 7 4.424 1.769 0.355 0.305 0.667 0.333 CB 1.403 7 residues pruned to eliminate duplicates Z: 9 6.978 1.866 0.585 0.419 0.875 0.625 CB 1.038 9 residues pruned to eliminate duplicates Z: 8 2.310 1.353 0.275 0.298 0.857 0.286 CB 0.740 Z: 14 8.172 1.520 0.138 0.856 0.923 0.769 CA 1.046 14 residues pruned to eliminate duplicates Z: 14 11.901 1.530 0.818 0.908 0.923 0.462 CB 0.913 14 residues pruned to eliminate duplicates Z: 14 12.504 1.689 0.642 0.632 1.000 0.462 CB 1.105 14 residues pruned to eliminate duplicates Z: 11 10.105 1.555 0.597 0.767 0.900 0.700 CB 1.128 11 residues pruned to eliminate duplicates Z: 8 5.865 1.625 0.479 0.784 0.714 0.429 CB 1.005 8 residues pruned to eliminate duplicates Z: 11 4.502 1.523 0.527 0.420 0.900 0.600 CB 0.739 Z: 8 9.363 1.816 0.766 0.908 1.000 1.000 CA 0.783 8 residues pruned to eliminate duplicates Z: 12 23.243 2.072 0.634 0.914 1.000 1.000 CA 1.464 12 residues pruned to eliminate duplicates Z: 13 9.669 1.745 0.471 0.564 0.833 0.750 CB 1.226 Z: 11 11.264 1.774 0.548 0.607 0.900 0.700 CA 1.301 11 residues pruned to eliminate duplicates Z: 16 14.744 1.716 0.539 0.844 1.000 0.667 CB 1.072 16 residues pruned to eliminate duplicates Z: 7 3.055 1.524 0.357 0.373 0.667 0.500 O 1.036 15 residues pruned to eliminate duplicates Z: 16 17.654 1.807 0.445 0.884 1.000 0.800 CB 1.261 16 residues pruned to eliminate duplicates Z: 8 7.336 1.546 0.550 0.884 0.857 0.286 CA 0.976 Z: 14 18.605 1.933 1.239 0.932 0.923 0.769 CB 0.902 14 residues pruned to eliminate duplicates Z: 15 16.789 1.740 0.599 0.861 1.000 0.571 CB 1.185 15 residues pruned to eliminate duplicates Z: 26 17.673 1.705 0.558 0.764 0.960 0.680 CB 1.096 28 residues pruned to eliminate duplicates Z: 8 6.183 1.655 0.470 0.397 1.000 0.571 CB 1.070 Z: 10 10.626 1.632 0.433 0.880 1.000 0.889 CB 1.098 10 residues pruned to eliminate duplicates Z: 17 13.024 1.687 0.405 0.812 0.812 0.500 CB 1.288 17 residues pruned to eliminate duplicates Z: 21 12.329 1.832 0.841 0.380 0.800 0.600 CB 1.161 23 residues pruned to eliminate duplicates Z: 15 7.420 1.722 0.330 0.431 0.786 0.571 CB 1.184 15 residues pruned to eliminate duplicates 8 1.990 1.421 0.208 0.393 0.857 0.286 CB 0.573 ? Z: 27 15.594 1.683 0.676 0.559 0.885 0.577 CB 1.157 33 residues pruned to eliminate duplicates Z: 6 3.611 1.600 0.170 0.721 0.800 0.400 CA 0.883 Z: 14 8.246 1.553 0.772 0.892 0.769 0.385 CB 0.776 Z: 9 12.325 1.668 0.554 0.861 1.000 0.875 CB 1.235 8 residues pruned to eliminate duplicates Z: 21 23.973 1.758 0.833 0.876 1.000 0.800 CA 1.209 21 residues pruned to eliminate duplicates Z: 9 7.240 1.668 0.443 0.418 0.875 0.375 O 1.324 9 residues pruned to eliminate duplicates Z: 15 6.084 1.415 0.179 0.771 0.929 0.857 CB 0.826 16 residues pruned to eliminate duplicates Z: 12 5.098 1.468 0.289 0.591 0.909 0.636 CB 0.819 Z: 11 11.579 1.657 0.519 0.829 1.000 0.600 CA 1.094 11 residues pruned to eliminate duplicates Z: 15 8.484 1.693 0.491 0.447 0.786 0.500 CB 1.208 15 residues pruned to eliminate duplicates Z: 8 4.976 1.687 0.279 0.534 1.000 0.714 CB 0.843 8 residues pruned to eliminate duplicates 6 1.515 1.378 -0.013 0.596 0.600 0.400 CB 0.758 ? Z: 53 24.525 1.847 0.710 0.391 0.942 0.500 CB 1.283 16 residues pruned to eliminate duplicates Z: 7 4.571 1.474 0.596 0.373 1.000 0.667 CB 0.909 Z: 54 25.311 1.737 0.612 0.621 0.887 0.547 CB 1.249 54 residues pruned to eliminate duplicates Z: 13 9.039 1.574 0.771 0.889 1.000 0.833 CB 0.674 14 residues pruned to eliminate duplicates Z: 13 19.236 2.048 0.816 0.664 1.000 0.750 CB 1.283 13 residues pruned to eliminate duplicates Z: 6 4.037 1.402 0.316 0.514 1.000 0.600 CA 0.965 Z: 25 17.218 1.821 0.914 0.495 0.792 0.667 CB 1.280 25 residues pruned to eliminate duplicates Z: 14 13.999 1.775 0.737 0.575 0.846 0.692 CA 1.385 14 residues pruned to eliminate duplicates Z: 12 5.570 1.600 0.375 0.545 0.818 0.545 N 0.893 12 residues pruned to eliminate duplicates Z: 11 7.572 1.724 0.556 0.479 0.900 0.600 CB 1.013 11 residues pruned to eliminate duplicates Z: 7 4.684 1.395 0.349 0.624 1.000 0.333 CA 0.904 Z: 8 6.367 1.465 0.291 0.778 1.000 0.714 CA 0.995 8 residues pruned to eliminate duplicates Z: 12 11.158 1.764 0.608 0.454 1.000 0.545 CA 1.244 12 residues pruned to eliminate duplicates Z: 40 18.743 1.930 0.497 0.403 0.923 0.667 CB 1.247 40 residues pruned to eliminate duplicates Z: 14 14.823 1.806 0.493 0.731 1.000 0.615 CA 1.238 14 residues pruned to eliminate duplicates Z: 9 3.834 1.638 0.521 0.368 0.750 0.625 CB 0.836 Z: 10 7.492 1.595 0.990 0.639 1.000 0.778 CB 0.691 10 residues pruned to eliminate duplicates Z: 13 3.956 1.491 0.516 0.372 0.750 0.500 CA 0.773 Z: 7 2.869 1.435 -0.026 0.526 0.833 0.333 CB 0.979 Z: 12 10.986 1.758 0.581 0.459 1.000 0.455 CA 1.242 12 residues pruned to eliminate duplicates Z: 25 17.766 1.715 0.550 0.637 0.917 0.542 CA 1.309 25 residues pruned to eliminate duplicates Z: 13 18.929 1.860 0.878 0.889 1.000 0.917 CB 1.127 13 residues pruned to eliminate duplicates Z: 17 23.700 1.938 1.236 0.875 0.938 0.875 CB 1.061 17 residues pruned to eliminate duplicates Z: 10 11.548 1.975 1.020 0.413 0.889 0.889 CA 1.189 25 residues pruned to eliminate duplicates Z: 8 4.880 1.450 0.627 0.384 0.857 0.714 CB 1.032 Z: 12 9.471 1.770 0.511 0.502 1.000 0.727 CA 1.065 12 residues pruned to eliminate duplicates Z: 6 2.315 1.614 0.279 0.560 0.800 0.400 CB 0.591 Z: 7 7.787 1.644 0.230 0.661 1.000 0.833 CA 1.355 7 residues pruned to eliminate duplicates Z: 6 2.002 1.375 -0.030 0.415 0.800 0.800 C 0.917 Z: 9 14.291 2.036 0.437 0.595 1.000 0.750 CA 1.578 9 residues pruned to eliminate duplicates Z: 7 3.173 1.271 0.424 0.479 0.667 0.500 O 1.097 Z: 17 22.076 1.913 1.044 0.870 0.875 0.688 CB 1.177 17 residues pruned to eliminate duplicates Z: 6 5.829 1.382 0.480 0.809 1.000 0.600 CB 0.974 6 residues pruned to eliminate duplicates Z: 9 7.746 1.823 0.555 0.600 1.000 0.625 CB 0.879 9 residues pruned to eliminate duplicates Z: 11 4.807 1.831 0.151 0.311 0.700 0.400 CA 1.271 Z: 9 12.614 1.682 0.676 0.799 1.000 0.875 CB 1.217 9 residues pruned to eliminate duplicates Z: 6 5.593 1.381 0.574 0.815 1.000 0.800 CA 0.875 6 residues pruned to eliminate duplicates Z: 18 19.288 1.857 0.842 0.591 0.882 0.647 CB 1.421 18 residues pruned to eliminate duplicates Z: 13 11.303 1.590 0.536 0.891 1.000 0.833 CB 0.960 13 residues pruned to eliminate duplicates Z: 9 17.953 1.906 0.972 0.905 1.000 0.750 CA 1.202 9 residues pruned to eliminate duplicates Z: 6 4.179 1.436 0.182 0.775 0.800 0.800 N 1.079 6 residues pruned to eliminate duplicates Z: 8 5.213 1.511 0.304 0.408 1.000 0.857 CA 1.102 Z: 28 21.987 1.721 0.824 0.747 0.963 0.593 CB 1.122 28 residues pruned to eliminate duplicates Z: 41 30.348 1.908 0.831 0.741 0.975 0.550 CB 1.135 44 residues pruned to eliminate duplicates Z: 8 6.179 1.529 0.460 0.683 0.857 0.714 CB 1.032 Z: 14 8.758 1.569 0.208 0.900 1.000 0.923 CB 0.915 14 residues pruned to eliminate duplicates Z: 6 4.632 1.899 0.377 0.778 1.000 0.800 CB 0.620 6 residues pruned to eliminate duplicates Z: 9 10.560 1.739 0.466 0.726 1.000 0.625 CA 1.195 9 residues pruned to eliminate duplicates Z: 10 6.756 1.679 0.386 0.327 0.889 0.444 CB 1.316 10 residues pruned to eliminate duplicates Z: 16 20.760 1.895 1.134 0.911 0.933 0.533 CB 1.007 16 residues pruned to eliminate duplicates Z: 12 10.978 1.977 0.582 0.606 1.000 0.636 CB 0.957 12 residues pruned to eliminate duplicates Z: 9 3.432 1.375 0.395 0.368 0.625 0.375 C 1.166 9 residues pruned to eliminate duplicates Z: 7 5.239 1.438 0.459 0.743 1.000 0.500 CB 0.820 Z: 8 6.241 1.659 0.127 0.781 0.857 0.714 CA 1.149 8 residues pruned to eliminate duplicates Z: 21 15.441 1.821 0.701 0.493 0.950 0.650 CB 1.182 25 residues pruned to eliminate duplicates Z: 15 22.616 1.988 1.189 0.922 0.929 0.643 CB 1.052 15 residues pruned to eliminate duplicates Z: 27 21.698 1.927 0.838 0.580 0.885 0.615 CB 1.257 27 residues pruned to eliminate duplicates Z: 17 12.140 1.715 0.440 0.670 0.938 0.688 CB 1.121 17 residues pruned to eliminate duplicates Z: 11 4.958 1.404 0.552 0.414 0.700 0.500 CB 1.125 Z: 8 5.668 1.597 0.615 0.556 0.857 0.571 CB 0.917 Z: 11 11.946 1.788 0.373 0.895 1.000 0.300 CB 1.103 11 residues pruned to eliminate duplicates Z: 7 4.829 1.626 0.522 0.292 1.000 0.500 CA 1.005 Z: 8 4.696 1.653 0.459 0.421 0.714 0.429 CA 1.119 8 residues pruned to eliminate duplicates Z: 15 10.925 1.876 1.099 0.398 0.786 0.571 CB 1.051 22 residues pruned to eliminate duplicates Z: 23 18.617 1.831 0.759 0.443 0.955 0.591 CA 1.370 23 residues pruned to eliminate duplicates Z: 9 3.229 1.419 0.167 0.513 0.625 0.375 CB 1.089 Z: 6 2.975 1.291 1.165 0.638 1.000 0.400 CB 0.418 Z: 18 5.172 1.562 0.347 0.270 0.706 0.412 CB 1.096 18 residues pruned to eliminate duplicates Z: 29 21.214 1.920 0.635 0.483 0.929 0.571 CB 1.400 29 residues pruned to eliminate duplicates Z: 7 5.634 1.530 0.352 0.755 0.833 0.500 CA 1.064 7 residues pruned to eliminate duplicates 6 1.669 1.506 0.358 0.418 1.000 0.600 CB 0.397 ? Z: 8 11.468 1.590 1.125 0.710 1.000 0.714 CB 1.060 8 residues pruned to eliminate duplicates Z: 13 25.248 1.912 1.240 0.850 1.000 0.667 CB 1.261 13 residues pruned to eliminate duplicates Z: 6 5.970 1.704 0.114 0.559 1.000 0.800 CB 1.328 6 residues pruned to eliminate duplicates Z: 16 10.706 1.553 0.465 0.896 1.000 0.600 CB 0.870 16 residues pruned to eliminate duplicates Z: 8 3.798 1.326 0.177 0.614 1.000 0.857 CB 0.826 Z: 16 9.641 1.565 0.427 0.856 0.867 0.667 CB 0.948 16 residues pruned to eliminate duplicates Z: 8 3.981 1.603 0.283 0.707 1.000 0.857 CB 0.606 Z: 21 18.986 1.910 0.997 0.549 0.900 0.600 CB 1.179 21 residues pruned to eliminate duplicates Z: 21 23.924 1.832 0.574 0.915 1.000 0.750 CA 1.312 21 residues pruned to eliminate duplicates Z: 6 3.135 1.409 0.116 0.796 1.000 0.800 CB 0.688 Z: 26 17.693 1.836 0.625 0.471 0.880 0.560 CB 1.388 26 residues pruned to eliminate duplicates Z: 13 8.797 1.518 0.846 0.905 1.000 0.667 CB 0.645 13 residues pruned to eliminate duplicates Z: 15 15.132 1.790 0.709 0.678 0.929 0.643 CB 1.208 15 residues pruned to eliminate duplicates Z: 23 16.839 1.880 0.941 0.626 0.864 0.500 CB 1.011 23 residues pruned to eliminate duplicates Z: 17 14.080 1.650 0.583 0.816 0.875 0.750 CB 1.170 17 residues pruned to eliminate duplicates Z: 6 5.815 1.442 0.674 0.679 1.000 0.400 CB 0.914 7 residues pruned to eliminate duplicates Z: 20 14.661 1.816 0.417 0.561 0.947 0.737 CB 1.300 20 residues pruned to eliminate duplicates Z: 30 20.900 1.872 0.509 0.602 0.966 0.724 CA 1.291 30 residues pruned to eliminate duplicates Z: 14 6.330 1.505 0.466 0.313 0.923 0.538 CA 1.060 14 residues pruned to eliminate duplicates Z: 9 9.356 1.623 0.771 0.650 0.875 0.625 CA 1.143 9 residues pruned to eliminate duplicates Z: 23 19.376 1.867 0.964 0.715 0.909 0.818 CB 1.021 23 residues pruned to eliminate duplicates Z: 6 2.952 1.391 0.313 0.512 1.000 0.800 CA 0.714 Z: 10 6.840 1.741 0.529 0.415 0.889 0.889 CB 1.053 10 residues pruned to eliminate duplicates Z: 9 10.249 1.652 0.583 0.731 1.000 0.875 CB 1.125 10 residues pruned to eliminate duplicates Z: 9 4.298 1.648 0.479 0.526 0.875 0.500 CB 0.694 11 residues pruned to eliminate duplicates Z: 24 25.381 1.834 0.899 0.774 0.913 0.565 CB 1.306 24 residues pruned to eliminate duplicates 7 1.583 1.305 0.468 0.304 0.500 0.333 CB 0.840 ? Z: 43 29.403 1.960 0.897 0.572 0.929 0.571 CB 1.226 50 residues pruned to eliminate duplicates Z: 6 3.565 0.897 1.129 0.667 1.000 0.800 CB 0.715 Z: 11 10.682 1.526 0.990 0.930 1.000 0.900 CB 0.778 10 residues pruned to eliminate duplicates Z: 12 10.479 1.676 0.492 0.580 0.909 0.727 CA 1.287 12 residues pruned to eliminate duplicates Z: 32 17.955 1.847 0.786 0.611 0.839 0.387 CB 1.049 32 residues pruned to eliminate duplicates Z: 16 16.056 1.860 0.662 0.908 1.000 0.800 CB 0.952 16 residues pruned to eliminate duplicates Z: 7 2.178 1.394 0.354 0.384 0.667 0.333 CB 0.799 Z: 12 4.011 1.609 0.262 0.428 0.909 0.364 CB 0.706 12 residues pruned to eliminate duplicates Z: 8 4.564 1.565 0.487 0.344 0.857 0.429 CB 1.024 9 residues pruned to eliminate duplicates Z: 8 2.782 1.341 0.247 0.472 0.714 0.429 CA 0.906 7 residues pruned to eliminate duplicates Z: 8 5.561 1.582 0.469 0.528 0.857 0.429 CB 1.026 563 residues left after pruning, divided into chains as follows: A: 11 B: 7 C: 57 D: 26 E: 25 F: 7 G: 8 H: 27 I: 64 J: 10 K: 37 L: 31 M: 55 N: 29 O: 24 P: 6 Q: 9 R: 11 S: 74 T: 14 U: 31 CC for partial structure against native data = 38.93 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.416, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.488, Connect. = 0.726 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.591, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.604, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.610, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.612, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.615, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.616, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4011 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 763 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 25.175 2.057 0.881 0.878 1.000 0.769 CA 1.310 B: 10 12.749 2.244 0.544 0.491 0.889 0.778 CA 1.393 C: 17 20.707 2.228 0.691 0.527 0.812 0.500 CA 1.647 10 residues pruned to eliminate duplicates D: 13 14.947 1.945 0.721 0.505 1.000 0.583 CA 1.283 E: 16 25.081 2.076 1.093 0.869 0.933 0.733 CB 1.166 F: 12 31.379 2.310 0.900 0.904 1.000 0.636 CA 1.535 14 residues pruned to eliminate duplicates G: 18 14.708 1.884 0.496 0.571 0.824 0.647 CB 1.435 14 residues pruned to eliminate duplicates H: 13 28.666 2.185 0.728 0.936 1.000 0.583 CA 1.526 13 residues pruned to eliminate duplicates I: 22 17.173 1.959 0.470 0.484 0.905 0.714 CB 1.462 9 residues pruned to eliminate duplicates J: 19 49.150 2.233 1.141 0.939 1.000 0.667 CB 1.684 K: 14 21.873 2.067 0.626 0.910 0.923 0.615 CB 1.387 14 residues pruned to eliminate duplicates L: 17 11.950 2.046 0.279 0.450 0.750 0.562 CB 1.603 17 residues pruned to eliminate duplicates M: 12 31.415 2.247 0.876 0.901 1.000 0.818 CA 1.604 12 residues pruned to eliminate duplicates N: 18 26.787 2.102 0.845 0.857 0.941 0.706 CB 1.312 O: 16 17.584 2.193 0.372 0.603 0.933 0.800 CB 1.465 16 residues pruned to eliminate duplicates P: 13 23.596 2.249 0.604 0.873 0.917 0.833 CA 1.500 13 residues pruned to eliminate duplicates Q: 21 19.313 2.038 0.602 0.444 0.950 0.700 CA 1.475 11 residues pruned to eliminate duplicates R: 22 11.361 1.926 0.270 0.428 0.810 0.571 CB 1.349 22 residues pruned to eliminate duplicates S: 13 30.495 2.189 0.956 0.927 1.000 0.833 CA 1.441 12 residues pruned to eliminate duplicates T: 13 25.628 2.115 0.751 0.899 0.917 0.667 CB 1.558 13 residues pruned to eliminate duplicates U: 93 38.383 2.037 0.679 0.484 0.880 0.565 CB 1.350 21 residues pruned to eliminate duplicates V: 10 9.294 2.044 0.385 0.419 1.000 0.667 CA 1.191 10 residues pruned to eliminate duplicates W: 20 29.685 2.177 0.570 0.880 0.895 0.737 CA 1.614 20 residues pruned to eliminate duplicates X: 19 39.495 2.264 0.906 0.926 0.944 0.611 CA 1.601 19 residues pruned to eliminate duplicates Y: 12 22.893 2.293 0.697 0.928 1.000 0.818 CB 1.242 12 residues pruned to eliminate duplicates Z: 13 22.173 2.229 0.652 0.924 1.000 0.583 CB 1.221 13 residues pruned to eliminate duplicates Z: 15 25.756 2.123 0.840 0.834 1.000 0.643 CB 1.321 Z: 20 36.235 2.155 0.734 0.926 1.000 0.526 CA 1.560 20 residues pruned to eliminate duplicates Z: 21 9.339 1.832 0.291 0.453 0.750 0.600 CB 1.235 21 residues pruned to eliminate duplicates Z: 20 28.910 2.164 0.637 0.883 0.895 0.421 CB 1.513 20 residues pruned to eliminate duplicates Z: 16 20.478 1.984 0.952 0.949 1.000 0.933 CB 0.942 Z: 14 18.806 2.107 0.398 0.892 1.000 0.923 CA 1.272 14 residues pruned to eliminate duplicates Z: 13 22.815 2.128 0.940 0.923 1.000 0.667 CA 1.121 13 residues pruned to eliminate duplicates Z: 12 10.890 1.907 0.678 0.408 0.818 0.545 CA 1.380 12 residues pruned to eliminate duplicates Z: 13 31.077 2.285 1.147 0.922 0.917 0.583 CA 1.402 13 residues pruned to eliminate duplicates Z: 11 14.666 2.143 0.241 0.930 1.000 1.000 CA 1.219 12 residues pruned to eliminate duplicates Z: 30 18.836 1.917 0.531 0.438 0.862 0.586 CB 1.474 26 residues pruned to eliminate duplicates Z: 13 14.821 2.090 0.643 0.939 1.000 1.000 CB 0.866 13 residues pruned to eliminate duplicates Z: 20 37.253 2.154 0.948 0.877 0.947 0.474 CA 1.562 20 residues pruned to eliminate duplicates Z: 16 12.679 1.961 0.359 0.901 1.000 0.867 CB 0.877 16 residues pruned to eliminate duplicates Z: 23 16.808 2.092 0.511 0.361 0.818 0.455 CA 1.610 19 residues pruned to eliminate duplicates Z: 19 30.376 2.028 0.721 0.930 1.000 0.778 CB 1.434 Z: 19 34.919 2.004 1.070 0.892 1.000 0.611 CB 1.425 19 residues pruned to eliminate duplicates Z: 19 30.116 2.078 0.850 0.908 0.944 0.667 CB 1.388 19 residues pruned to eliminate duplicates Z: 15 16.628 2.012 0.802 0.912 0.929 0.786 CB 0.934 15 residues pruned to eliminate duplicates Z: 33 22.323 1.903 0.646 0.563 0.875 0.625 CB 1.354 33 residues pruned to eliminate duplicates Z: 14 10.303 1.936 0.634 0.448 0.769 0.462 CB 1.238 Z: 14 24.780 2.114 1.148 0.822 0.846 0.385 CB 1.353 14 residues pruned to eliminate duplicates Z: 11 14.328 2.178 0.483 0.894 0.900 0.900 CA 1.117 11 residues pruned to eliminate duplicates Z: 13 9.205 1.889 0.838 0.310 0.750 0.417 CA 1.259 13 residues pruned to eliminate duplicates Z: 12 27.108 2.289 0.925 0.921 1.000 0.909 CA 1.306 12 residues pruned to eliminate duplicates Z: 13 19.155 1.784 0.750 0.856 1.000 0.833 CA 1.307 Z: 19 31.215 2.244 0.765 0.870 0.889 0.722 CA 1.525 19 residues pruned to eliminate duplicates Z: 12 25.018 2.305 0.607 0.921 1.000 1.000 CA 1.433 12 residues pruned to eliminate duplicates Z: 18 23.488 2.037 0.882 0.862 0.882 0.765 CB 1.236 18 residues pruned to eliminate duplicates Z: 19 28.936 2.094 0.594 0.908 1.000 0.778 CA 1.451 18 residues pruned to eliminate duplicates Z: 12 29.201 2.274 0.881 0.923 1.000 0.636 CB 1.447 14 residues pruned to eliminate duplicates Z: 11 15.005 2.014 1.060 0.478 0.900 0.700 CA 1.299 14 residues pruned to eliminate duplicates Z: 18 23.056 2.095 0.685 0.851 0.941 0.941 CB 1.245 18 residues pruned to eliminate duplicates Z: 20 28.901 2.047 0.688 0.890 1.000 0.789 CA 1.380 20 residues pruned to eliminate duplicates Z: 8 8.733 1.812 0.383 0.540 0.857 0.857 C 1.478 Z: 20 17.138 1.881 0.856 0.427 0.895 0.579 CB 1.358 16 residues pruned to eliminate duplicates Z: 12 26.541 2.311 0.858 0.926 1.000 0.818 CA 1.306 12 residues pruned to eliminate duplicates Z: 21 20.908 2.042 0.675 0.517 0.900 0.700 CA 1.493 21 residues pruned to eliminate duplicates Z: 24 22.404 1.986 0.503 0.749 0.870 0.739 CA 1.442 24 residues pruned to eliminate duplicates Z: 19 27.298 1.920 1.093 0.876 0.944 0.611 CB 1.232 19 residues pruned to eliminate duplicates Z: 19 30.366 2.087 0.785 0.915 0.944 0.722 CB 1.438 19 residues pruned to eliminate duplicates Z: 7 5.885 1.895 -0.119 0.594 1.000 0.833 CB 1.317 Z: 40 35.249 2.037 0.707 0.708 0.923 0.667 CB 1.456 35 residues pruned to eliminate duplicates Z: 9 13.015 1.810 0.607 0.719 0.875 0.750 N 1.483 8 residues pruned to eliminate duplicates Z: 13 17.534 1.837 0.644 0.894 1.000 0.833 CA 1.202 13 residues pruned to eliminate duplicates Z: 19 29.465 2.096 0.630 0.917 0.944 0.667 CA 1.519 19 residues pruned to eliminate duplicates Z: 17 32.694 2.041 1.114 0.946 1.000 0.688 CB 1.310 19 residues pruned to eliminate duplicates Z: 11 5.372 1.915 0.329 0.306 0.900 0.500 CB 0.921 11 residues pruned to eliminate duplicates Z: 20 22.495 2.023 0.509 0.864 0.947 0.632 CA 1.308 20 residues pruned to eliminate duplicates Z: 58 23.493 1.965 0.594 0.397 0.860 0.526 CB 1.288 46 residues pruned to eliminate duplicates Z: 20 26.970 2.018 0.535 0.870 1.000 0.684 CB 1.459 20 residues pruned to eliminate duplicates Z: 36 17.148 1.990 0.358 0.409 0.829 0.514 CB 1.424 11 residues pruned to eliminate duplicates Z: 6 4.259 1.634 0.013 0.684 1.000 0.600 CB 0.972 6 residues pruned to eliminate duplicates Z: 28 21.429 1.808 0.552 0.707 1.000 0.667 CB 1.217 Z: 13 22.388 2.189 0.776 0.869 1.000 0.833 CB 1.214 13 residues pruned to eliminate duplicates Z: 19 35.667 2.188 0.799 0.880 0.944 0.722 CA 1.639 19 residues pruned to eliminate duplicates Z: 6 10.786 1.775 0.869 0.817 0.800 0.800 N 1.380 6 residues pruned to eliminate duplicates Z: 13 32.232 2.231 0.950 0.928 1.000 0.667 CA 1.497 13 residues pruned to eliminate duplicates Z: 28 14.179 1.641 0.366 0.617 0.926 0.481 CB 1.177 Z: 16 18.986 2.020 0.564 0.932 1.000 0.867 CB 1.084 15 residues pruned to eliminate duplicates Z: 13 20.579 2.062 0.869 0.900 0.833 0.667 CB 1.321 11 residues pruned to eliminate duplicates Z: 22 8.727 1.827 0.492 0.294 0.762 0.333 CB 1.155 22 residues pruned to eliminate duplicates Z: 6 10.648 1.658 0.794 0.833 1.000 1.000 CA 1.201 6 residues pruned to eliminate duplicates Z: 18 29.911 2.094 1.302 0.869 0.941 0.529 CB 1.168 18 residues pruned to eliminate duplicates Z: 12 19.823 1.951 0.676 0.928 1.000 0.909 CA 1.279 12 residues pruned to eliminate duplicates Z: 55 54.358 2.137 0.863 0.787 0.963 0.648 CB 1.499 35 residues pruned to eliminate duplicates Z: 14 24.064 2.210 0.627 0.926 1.000 0.923 CB 1.301 14 residues pruned to eliminate duplicates Z: 12 17.786 2.091 0.834 0.636 0.818 0.727 CA 1.504 12 residues pruned to eliminate duplicates Z: 21 16.948 1.900 0.587 0.500 1.000 0.650 CB 1.257 Z: 13 19.676 1.810 1.043 0.924 1.000 0.833 CA 1.079 13 residues pruned to eliminate duplicates Z: 6 6.393 2.026 0.118 0.454 1.000 0.800 CA 1.323 6 residues pruned to eliminate duplicates Z: 12 36.360 2.324 1.048 0.940 1.000 0.364 CA 1.599 13 residues pruned to eliminate duplicates Z: 27 14.805 2.006 0.595 0.404 0.769 0.654 CB 1.305 27 residues pruned to eliminate duplicates Z: 15 22.805 2.023 1.161 0.945 1.000 0.714 CB 0.965 15 residues pruned to eliminate duplicates Z: 17 21.950 1.886 0.906 0.849 1.000 0.625 CB 1.131 Z: 9 8.636 1.852 0.324 0.708 0.875 0.500 CB 1.178 9 residues pruned to eliminate duplicates Z: 12 21.769 1.914 0.920 0.901 1.000 0.636 CA 1.275 13 residues pruned to eliminate duplicates Z: 17 20.495 1.941 0.843 0.926 1.000 0.688 CB 1.004 17 residues pruned to eliminate duplicates Z: 14 22.473 2.055 1.271 0.929 0.923 0.615 CB 1.012 15 residues pruned to eliminate duplicates Z: 13 17.588 1.816 0.870 0.902 1.000 0.833 CA 1.067 13 residues pruned to eliminate duplicates Z: 13 36.623 2.150 1.197 0.911 1.000 0.333 CA 1.586 12 residues pruned to eliminate duplicates Z: 14 24.530 2.115 1.310 0.889 0.846 0.308 CB 1.185 14 residues pruned to eliminate duplicates Z: 20 25.711 2.025 0.784 0.895 0.895 0.579 CA 1.308 20 residues pruned to eliminate duplicates Z: 12 22.331 1.915 0.891 0.916 1.000 0.818 CA 1.313 12 residues pruned to eliminate duplicates Z: 20 40.334 2.185 0.934 0.890 1.000 0.632 CA 1.575 20 residues pruned to eliminate duplicates Z: 12 36.479 2.316 1.041 0.939 1.000 0.818 CB 1.617 12 residues pruned to eliminate duplicates Z: 14 5.933 1.573 0.313 0.429 0.846 0.538 CB 1.013 Z: 20 29.805 2.119 0.577 0.925 1.000 0.842 CA 1.436 20 residues pruned to eliminate duplicates Z: 17 21.847 1.875 0.835 0.884 1.000 0.750 CB 1.147 17 residues pruned to eliminate duplicates Z: 12 16.751 1.878 0.783 0.905 1.000 1.000 CA 1.073 12 residues pruned to eliminate duplicates Z: 19 28.410 2.098 0.602 0.910 1.000 0.833 CA 1.412 19 residues pruned to eliminate duplicates Z: 11 31.276 2.377 0.975 0.931 1.000 0.800 CA 1.473 11 residues pruned to eliminate duplicates Z: 13 20.020 2.188 0.335 0.874 1.000 0.833 CA 1.439 13 residues pruned to eliminate duplicates Z: 22 25.320 1.960 0.615 0.841 0.952 0.571 CA 1.366 22 residues pruned to eliminate duplicates Z: 19 20.859 2.064 0.780 0.544 0.889 0.667 CB 1.442 19 residues pruned to eliminate duplicates Z: 15 35.145 2.132 1.207 0.932 1.000 0.714 CA 1.394 15 residues pruned to eliminate duplicates Z: 12 14.814 2.132 0.687 0.552 1.000 0.818 CB 1.181 12 residues pruned to eliminate duplicates Z: 8 10.883 1.832 0.517 0.798 1.000 0.714 CB 1.141 8 residues pruned to eliminate duplicates Z: 14 14.609 2.124 0.153 0.938 1.000 1.000 CA 1.150 14 residues pruned to eliminate duplicates Z: 18 20.272 2.012 0.661 0.634 1.000 0.824 CA 1.297 18 residues pruned to eliminate duplicates Z: 20 41.669 2.133 0.994 0.908 1.000 0.474 CA 1.596 20 residues pruned to eliminate duplicates Z: 70 38.339 2.092 0.635 0.573 0.928 0.696 CB 1.356 70 residues pruned to eliminate duplicates Z: 14 17.612 1.953 0.570 0.872 0.923 0.692 CA 1.258 14 residues pruned to eliminate duplicates Z: 15 24.051 2.101 0.638 0.881 1.000 0.714 CA 1.353 15 residues pruned to eliminate duplicates Z: 18 16.694 1.842 0.718 0.659 0.941 0.588 CA 1.173 18 residues pruned to eliminate duplicates Z: 19 18.413 1.837 0.876 0.622 0.944 0.722 CA 1.188 19 residues pruned to eliminate duplicates Z: 14 24.400 2.077 0.718 0.866 1.000 0.692 CA 1.388 14 residues pruned to eliminate duplicates Z: 13 22.813 2.058 1.098 0.909 0.833 0.500 CB 1.299 13 residues pruned to eliminate duplicates Z: 14 17.254 2.175 0.301 0.915 0.923 0.846 CA 1.295 13 residues pruned to eliminate duplicates Z: 11 4.499 1.765 0.532 0.240 0.500 0.300 CA 1.421 11 residues pruned to eliminate duplicates Z: 21 27.798 2.065 0.671 0.853 0.900 0.600 CA 1.479 21 residues pruned to eliminate duplicates Z: 25 23.918 2.054 0.554 0.667 1.000 0.667 CA 1.311 12 residues pruned to eliminate duplicates Z: 26 20.861 1.908 0.619 0.564 1.000 0.640 CB 1.269 21 residues pruned to eliminate duplicates Z: 7 9.568 1.863 0.629 0.741 0.833 0.833 CB 1.244 7 residues pruned to eliminate duplicates Z: 12 20.591 2.272 0.336 0.935 1.000 1.000 CA 1.426 12 residues pruned to eliminate duplicates Z: 10 18.279 2.023 0.864 0.870 1.000 0.667 CA 1.179 10 residues pruned to eliminate duplicates Z: 18 24.876 2.175 0.705 0.619 1.000 0.588 CA 1.454 18 residues pruned to eliminate duplicates Z: 17 15.094 1.984 0.494 0.393 1.000 0.500 CB 1.425 17 residues pruned to eliminate duplicates Z: 12 18.025 1.928 0.748 0.867 0.909 0.636 CA 1.297 12 residues pruned to eliminate duplicates Z: 65 26.814 1.842 0.453 0.604 0.875 0.547 CB 1.297 21 residues pruned to eliminate duplicates Z: 108 35.398 1.915 0.636 0.544 0.879 0.533 CB 1.190 107 residues pruned to eliminate duplicates Z: 12 25.367 2.279 0.804 0.902 0.909 0.545 CB 1.459 12 residues pruned to eliminate duplicates Z: 20 14.653 1.880 0.541 0.471 0.842 0.632 CB 1.419 20 residues pruned to eliminate duplicates Z: 19 27.267 2.226 0.510 0.855 0.889 0.667 CA 1.587 19 residues pruned to eliminate duplicates Z: 16 16.168 2.005 0.593 0.918 1.000 0.867 CB 0.922 16 residues pruned to eliminate duplicates Z: 11 15.082 1.966 0.604 0.920 1.000 0.900 CA 1.065 11 residues pruned to eliminate duplicates Z: 16 17.914 1.886 0.489 0.857 1.000 0.667 CB 1.214 16 residues pruned to eliminate duplicates Z: 19 23.807 2.055 0.560 0.885 1.000 0.944 CA 1.264 19 residues pruned to eliminate duplicates Z: 7 4.164 1.574 0.081 0.708 1.000 0.667 CA 0.827 Z: 17 16.641 1.802 0.465 0.917 1.000 0.875 CB 1.112 17 residues pruned to eliminate duplicates Z: 18 23.076 2.035 0.475 0.905 1.000 0.882 CA 1.327 18 residues pruned to eliminate duplicates Z: 6 7.638 1.788 0.608 0.539 0.800 0.600 N 1.428 6 residues pruned to eliminate duplicates Z: 18 31.836 2.149 0.841 0.912 0.941 0.647 CB 1.469 18 residues pruned to eliminate duplicates Z: 6 5.503 1.905 0.005 0.563 1.000 0.600 N 1.209 7 residues pruned to eliminate duplicates Z: 16 22.102 2.025 1.153 0.930 1.000 0.400 CB 0.916 16 residues pruned to eliminate duplicates Z: 21 22.064 2.010 0.690 0.514 1.000 0.650 CB 1.432 21 residues pruned to eliminate duplicates Z: 64 27.077 1.991 0.532 0.453 0.921 0.556 CB 1.275 64 residues pruned to eliminate duplicates Z: 10 18.319 1.941 0.804 0.869 0.889 0.778 CA 1.433 11 residues pruned to eliminate duplicates Z: 16 18.581 2.032 0.641 0.484 0.933 0.733 CA 1.566 23 residues pruned to eliminate duplicates Z: 17 22.034 2.070 0.545 0.625 1.000 0.812 CB 1.530 22 residues pruned to eliminate duplicates Z: 13 10.201 1.684 0.500 0.460 0.917 0.333 CA 1.325 13 residues pruned to eliminate duplicates Z: 29 21.659 1.770 0.796 0.701 0.964 0.607 CB 1.112 30 residues pruned to eliminate duplicates Z: 9 11.689 1.905 0.626 0.669 1.000 0.875 CB 1.141 Z: 12 17.855 1.905 0.722 0.907 1.000 0.909 CA 1.166 12 residues pruned to eliminate duplicates Z: 12 18.104 1.931 0.612 0.901 1.000 0.727 CA 1.252 12 residues pruned to eliminate duplicates Z: 9 10.313 1.634 0.403 0.852 1.000 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 16 22.817 2.154 0.408 0.933 1.000 0.933 CA 1.355 16 residues pruned to eliminate duplicates Z: 52 26.034 2.028 0.514 0.417 0.922 0.490 CA 1.405 52 residues pruned to eliminate duplicates Z: 14 23.687 2.149 0.606 0.903 1.000 0.692 CB 1.357 14 residues pruned to eliminate duplicates Z: 8 13.719 1.877 0.631 0.775 1.000 1.000 CA 1.328 8 residues pruned to eliminate duplicates Z: 12 25.762 2.272 0.895 0.899 1.000 0.727 CA 1.290 12 residues pruned to eliminate duplicates Z: 21 17.455 1.929 0.583 0.613 0.950 0.750 CB 1.209 21 residues pruned to eliminate duplicates Z: 10 5.933 1.754 0.417 0.440 0.889 0.444 CB 0.953 10 residues pruned to eliminate duplicates Z: 12 10.115 1.778 0.234 0.635 0.909 0.727 CA 1.347 Z: 12 30.501 2.244 1.098 0.896 1.000 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 12 18.584 1.958 0.920 0.886 0.818 0.818 CA 1.314 12 residues pruned to eliminate duplicates Z: 16 17.106 2.024 0.694 0.926 1.000 0.867 CB 0.903 16 residues pruned to eliminate duplicates Z: 33 22.368 1.998 0.792 0.570 0.875 0.344 CB 1.180 48 residues pruned to eliminate duplicates Z: 11 24.298 1.887 1.132 0.885 1.000 0.300 CA 1.378 11 residues pruned to eliminate duplicates Z: 27 29.120 2.115 0.801 0.558 1.000 0.731 CB 1.417 27 residues pruned to eliminate duplicates Z: 13 19.365 2.012 0.639 0.618 1.000 0.833 CB 1.517 14 residues pruned to eliminate duplicates Z: 8 9.644 1.909 0.866 0.259 1.000 0.571 CB 1.349 Z: 12 18.835 2.278 0.623 0.903 1.000 1.000 CA 1.094 12 residues pruned to eliminate duplicates Z: 35 18.844 1.950 0.323 0.592 0.912 0.706 CA 1.258 35 residues pruned to eliminate duplicates Z: 6 4.973 1.603 0.510 0.787 1.000 0.600 CB 0.714 6 residues pruned to eliminate duplicates Z: 6 5.345 1.762 -0.010 0.644 1.000 0.800 N 1.198 5 residues pruned to eliminate duplicates Z: 80 33.506 2.020 0.606 0.515 0.861 0.532 CB 1.330 80 residues pruned to eliminate duplicates Z: 20 26.920 2.046 0.610 0.900 1.000 0.842 CA 1.339 20 residues pruned to eliminate duplicates Z: 9 10.065 1.596 0.531 0.881 1.000 0.625 CA 1.054 9 residues pruned to eliminate duplicates Z: 9 6.854 1.857 0.421 0.406 0.875 0.500 CB 1.159 Z: 21 31.339 2.102 0.657 0.831 1.000 0.650 CA 1.512 20 residues pruned to eliminate duplicates Z: 13 23.785 2.194 0.652 0.905 0.917 0.917 CA 1.471 12 residues pruned to eliminate duplicates Z: 15 11.754 1.600 0.581 0.585 0.929 0.571 CA 1.232 12 residues pruned to eliminate duplicates Z: 15 15.012 1.637 0.359 0.892 1.000 0.786 CB 1.296 15 residues pruned to eliminate duplicates Z: 19 35.798 2.203 0.765 0.894 1.000 0.778 CB 1.558 19 residues pruned to eliminate duplicates Z: 7 11.523 1.759 0.519 0.877 1.000 0.833 CB 1.279 7 residues pruned to eliminate duplicates Z: 16 17.560 1.764 0.567 0.918 1.000 0.667 CB 1.157 16 residues pruned to eliminate duplicates Z: 20 14.660 2.085 0.476 0.411 0.947 0.632 CB 1.266 20 residues pruned to eliminate duplicates Z: 20 28.130 2.016 0.667 0.871 1.000 0.737 CA 1.401 20 residues pruned to eliminate duplicates Z: 26 27.343 1.969 0.694 0.827 0.920 0.720 CB 1.343 26 residues pruned to eliminate duplicates Z: 23 15.365 1.753 0.628 0.557 0.864 0.773 CB 1.257 23 residues pruned to eliminate duplicates Z: 25 13.039 1.617 0.401 0.675 0.917 0.458 CB 1.091 23 residues pruned to eliminate duplicates Z: 18 25.638 2.086 0.810 0.839 0.941 0.706 CB 1.307 18 residues pruned to eliminate duplicates Z: 7 12.713 1.759 0.662 0.735 1.000 0.667 CB 1.437 Z: 18 19.768 1.800 0.637 0.866 1.000 0.882 CB 1.191 18 residues pruned to eliminate duplicates Z: 27 19.340 1.997 0.583 0.472 0.846 0.538 CB 1.459 27 residues pruned to eliminate duplicates Z: 16 13.420 1.631 0.327 0.826 0.933 0.800 CB 1.294 16 residues pruned to eliminate duplicates Z: 9 7.318 1.598 0.188 0.755 0.875 0.875 CB 1.242 9 residues pruned to eliminate duplicates Z: 15 14.586 1.871 0.348 0.879 0.857 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 65 40.473 2.138 0.781 0.559 0.906 0.609 CB 1.385 65 residues pruned to eliminate duplicates Z: 19 17.578 1.765 0.690 0.772 0.944 0.667 CB 1.156 19 residues pruned to eliminate duplicates Z: 16 16.262 1.772 0.538 0.873 1.000 0.667 CA 1.123 16 residues pruned to eliminate duplicates Z: 12 9.383 1.664 0.291 0.652 1.000 0.727 CA 1.144 14 residues pruned to eliminate duplicates Z: 56 29.684 2.002 0.669 0.488 0.927 0.545 CB 1.307 56 residues pruned to eliminate duplicates Z: 13 21.578 1.833 0.918 0.922 1.000 0.667 CA 1.246 12 residues pruned to eliminate duplicates Z: 13 13.055 1.848 0.194 0.892 1.000 1.000 CA 1.227 13 residues pruned to eliminate duplicates Z: 8 5.456 1.634 0.102 0.771 0.857 0.714 CA 1.052 6 residues pruned to eliminate duplicates Z: 7 7.342 1.685 0.799 0.672 1.000 0.833 CA 0.844 7 residues pruned to eliminate duplicates Z: 9 10.135 1.721 0.646 0.640 0.875 0.750 CB 1.268 9 residues pruned to eliminate duplicates Z: 14 21.342 2.088 0.674 0.829 0.923 0.692 CA 1.381 14 residues pruned to eliminate duplicates Z: 12 25.243 1.940 1.288 0.888 1.000 0.636 CB 1.235 12 residues pruned to eliminate duplicates Z: 17 15.616 1.864 0.303 0.895 1.000 0.750 CB 1.152 17 residues pruned to eliminate duplicates Z: 10 4.100 1.530 0.573 0.357 0.667 0.444 CA 0.995 Z: 9 17.894 2.066 0.880 0.877 1.000 0.875 CA 1.183 9 residues pruned to eliminate duplicates Z: 10 9.123 1.763 0.238 0.847 0.889 0.778 CB 1.164 10 residues pruned to eliminate duplicates Z: 66 30.970 1.834 0.650 0.618 0.908 0.508 CB 1.251 63 residues pruned to eliminate duplicates Z: 7 4.349 1.525 0.737 0.440 0.667 0.333 N 1.069 7 residues pruned to eliminate duplicates Z: 24 12.928 1.592 0.571 0.528 0.870 0.522 CB 1.205 9 residues pruned to eliminate duplicates Z: 11 9.279 1.953 0.444 0.509 0.900 0.600 CB 1.146 11 residues pruned to eliminate duplicates Z: 6 8.552 1.674 0.370 0.788 1.000 0.800 N 1.295 Z: 16 9.471 1.906 0.133 0.497 0.867 0.733 CB 1.311 16 residues pruned to eliminate duplicates Z: 18 21.031 2.179 0.633 0.617 0.941 0.588 CB 1.363 18 residues pruned to eliminate duplicates Z: 9 3.957 1.654 0.553 0.392 0.625 0.375 CB 0.977 8 residues pruned to eliminate duplicates Z: 12 8.540 1.793 0.389 0.358 0.909 0.636 CB 1.326 12 residues pruned to eliminate duplicates Z: 13 8.269 1.673 0.352 0.626 0.917 0.750 CA 1.022 13 residues pruned to eliminate duplicates Z: 17 16.874 1.828 0.403 0.926 1.000 0.938 CB 1.153 17 residues pruned to eliminate duplicates Z: 13 7.798 1.679 0.430 0.482 0.833 0.500 CB 1.146 8 residues pruned to eliminate duplicates Z: 16 12.537 1.837 0.106 0.870 1.000 0.667 CA 1.162 16 residues pruned to eliminate duplicates Z: 16 20.647 1.750 0.709 0.934 1.000 0.467 CB 1.243 16 residues pruned to eliminate duplicates Z: 18 24.898 2.102 0.667 0.887 0.882 0.706 CA 1.409 18 residues pruned to eliminate duplicates Z: 14 12.771 1.803 0.249 0.912 1.000 1.000 CB 1.113 14 residues pruned to eliminate duplicates Z: 24 22.158 1.951 0.692 0.610 0.913 0.652 CB 1.381 23 residues pruned to eliminate duplicates Z: 6 7.120 1.910 0.416 0.811 0.800 0.800 CB 1.122 6 residues pruned to eliminate duplicates Z: 16 13.803 1.587 0.316 0.856 1.000 0.733 CB 1.257 16 residues pruned to eliminate duplicates Z: 12 26.991 2.284 0.895 0.919 1.000 0.545 CB 1.326 Z: 8 5.609 1.613 0.155 0.588 0.857 0.714 N 1.220 Z: 42 36.189 2.166 0.797 0.610 0.927 0.610 CB 1.411 42 residues pruned to eliminate duplicates Z: 16 13.804 1.775 0.449 0.892 1.000 0.400 CB 0.995 16 residues pruned to eliminate duplicates Z: 14 8.923 1.764 0.160 0.724 0.923 0.462 CA 1.070 14 residues pruned to eliminate duplicates Z: 9 4.816 1.773 0.137 0.298 0.750 0.625 CA 1.411 9 residues pruned to eliminate duplicates Z: 10 9.415 1.807 0.408 0.474 1.000 0.667 CB 1.267 Z: 9 5.157 1.431 0.555 0.556 0.875 0.625 CA 0.887 9 residues pruned to eliminate duplicates Z: 15 15.289 1.763 0.371 0.925 1.000 0.857 CA 1.186 15 residues pruned to eliminate duplicates Z: 24 18.177 1.961 0.630 0.531 0.913 0.652 CB 1.260 24 residues pruned to eliminate duplicates Z: 14 9.373 1.857 0.366 0.363 0.846 0.538 CB 1.403 14 residues pruned to eliminate duplicates Z: 11 9.462 1.892 0.869 0.451 0.900 0.600 CB 0.989 8 residues pruned to eliminate duplicates Z: 51 28.759 1.865 0.509 0.610 1.000 0.740 CB 1.302 51 residues pruned to eliminate duplicates Z: 26 14.046 1.910 0.297 0.436 0.920 0.560 CB 1.317 26 residues pruned to eliminate duplicates Z: 25 7.042 1.911 0.331 0.263 0.583 0.417 CB 1.270 25 residues pruned to eliminate duplicates Z: 25 20.754 1.918 0.760 0.588 0.917 0.708 CB 1.258 25 residues pruned to eliminate duplicates Z: 14 5.362 1.881 0.272 0.386 0.692 0.385 CB 1.014 14 residues pruned to eliminate duplicates Z: 14 14.461 1.786 0.552 0.907 0.923 0.692 CB 1.114 14 residues pruned to eliminate duplicates Z: 27 17.762 1.969 0.795 0.625 0.846 0.308 CB 1.035 27 residues pruned to eliminate duplicates Z: 9 11.280 1.728 0.655 0.823 0.875 0.750 N 1.205 9 residues pruned to eliminate duplicates Z: 20 27.546 1.991 0.820 0.889 0.947 0.684 CB 1.325 20 residues pruned to eliminate duplicates Z: 36 16.782 1.956 0.451 0.379 0.886 0.543 CB 1.284 36 residues pruned to eliminate duplicates Z: 6 5.728 1.515 0.749 0.689 0.800 0.600 CA 1.016 6 residues pruned to eliminate duplicates Z: 12 21.314 1.949 0.681 0.922 1.000 0.909 CA 1.380 13 residues pruned to eliminate duplicates Z: 7 6.898 1.683 0.359 0.576 1.000 0.500 O 1.144 7 residues pruned to eliminate duplicates Z: 11 11.842 1.723 0.792 0.913 1.000 0.500 CB 0.859 Z: 22 26.528 1.982 0.642 0.892 1.000 0.857 CA 1.278 22 residues pruned to eliminate duplicates Z: 12 10.158 1.696 0.344 0.673 1.000 0.818 CA 1.145 12 residues pruned to eliminate duplicates Z: 6 2.976 1.417 0.766 0.300 0.800 0.600 CB 0.831 Z: 16 34.602 2.173 1.309 0.928 0.933 0.400 CB 1.336 16 residues pruned to eliminate duplicates Z: 14 21.512 2.168 0.575 0.900 1.000 0.846 CA 1.247 14 residues pruned to eliminate duplicates Z: 8 2.535 1.824 -0.186 0.256 0.714 0.571 CB 1.194 8 residues pruned to eliminate duplicates Z: 7 5.907 1.612 0.471 0.621 1.000 0.333 CB 0.907 Z: 17 9.338 1.719 0.567 0.308 0.875 0.562 CB 1.226 17 residues pruned to eliminate duplicates Z: 15 10.210 1.766 0.314 0.519 0.929 0.571 CB 1.242 15 residues pruned to eliminate duplicates Z: 7 7.852 1.619 0.700 0.860 0.833 0.333 CB 1.028 7 residues pruned to eliminate duplicates Z: 6 7.345 1.541 0.700 0.728 1.000 0.400 CA 1.021 6 residues pruned to eliminate duplicates Z: 18 14.482 1.795 0.184 0.879 1.000 1.000 CB 1.197 18 residues pruned to eliminate duplicates Z: 24 22.697 1.967 0.616 0.623 0.957 0.783 CB 1.386 26 residues pruned to eliminate duplicates Z: 8 9.304 1.927 0.531 0.718 0.714 0.571 CA 1.371 8 residues pruned to eliminate duplicates Z: 6 2.947 1.722 0.609 0.583 0.800 0.400 CB 0.549 Z: 20 35.011 2.084 0.931 0.932 0.947 0.316 CA 1.472 20 residues pruned to eliminate duplicates Z: 25 12.714 1.877 0.671 0.296 0.792 0.375 CA 1.312 25 residues pruned to eliminate duplicates Z: 16 10.433 1.618 0.603 0.523 0.867 0.733 CB 1.171 13 residues pruned to eliminate duplicates Z: 17 10.891 1.943 0.470 0.320 0.812 0.438 CB 1.432 17 residues pruned to eliminate duplicates Z: 6 3.849 1.697 0.016 0.621 0.800 0.800 CB 1.114 6 residues pruned to eliminate duplicates Z: 6 2.391 1.497 -0.029 0.459 0.800 0.600 CB 0.960 6 residues pruned to eliminate duplicates Z: 16 15.740 1.797 0.370 0.866 1.000 0.733 CB 1.209 16 residues pruned to eliminate duplicates Z: 8 5.318 1.571 0.758 0.333 0.714 0.429 N 1.223 9 residues pruned to eliminate duplicates Z: 25 21.373 1.946 0.651 0.608 0.917 0.708 CB 1.337 23 residues pruned to eliminate duplicates Z: 28 15.860 1.790 0.666 0.519 0.852 0.667 CB 1.178 28 residues pruned to eliminate duplicates Z: 12 15.062 1.891 0.511 0.699 1.000 0.818 CB 1.325 12 residues pruned to eliminate duplicates Z: 15 16.448 1.801 0.553 0.845 1.000 0.643 CA 1.169 15 residues pruned to eliminate duplicates Z: 9 16.483 2.038 0.669 0.921 1.000 1.000 CA 1.206 9 residues pruned to eliminate duplicates Z: 16 25.835 2.050 0.786 0.720 1.000 0.800 CA 1.494 24 residues pruned to eliminate duplicates Z: 6 2.895 1.587 0.196 0.396 0.600 0.400 CA 1.269 Z: 8 6.590 1.551 0.537 0.793 1.000 0.857 CA 0.808 8 1.938 1.411 -0.135 0.492 0.857 0.714 CB 0.707 ? Z: 8 7.852 2.078 0.056 0.899 1.000 1.000 CB 0.967 8 residues pruned to eliminate duplicates Z: 12 6.393 1.768 0.277 0.378 0.727 0.273 N 1.337 12 residues pruned to eliminate duplicates Z: 13 14.671 1.706 0.538 0.874 1.000 0.750 CA 1.175 13 residues pruned to eliminate duplicates Z: 12 8.526 1.647 0.398 0.547 0.909 0.455 CB 1.173 12 residues pruned to eliminate duplicates Z: 23 23.351 2.141 0.564 0.569 0.909 0.682 CA 1.530 24 residues pruned to eliminate duplicates Z: 34 23.671 1.989 0.670 0.443 0.939 0.545 CA 1.401 40 residues pruned to eliminate duplicates Z: 6 3.650 1.133 0.763 0.793 1.000 0.600 CB 0.632 Z: 13 6.798 1.713 0.297 0.532 0.833 0.667 CB 1.027 13 residues pruned to eliminate duplicates Z: 16 16.307 1.627 0.640 0.904 1.000 0.933 CB 1.124 16 residues pruned to eliminate duplicates Z: 15 13.606 1.703 0.488 0.919 0.929 0.929 CB 1.089 15 residues pruned to eliminate duplicates Z: 7 4.987 1.589 0.514 0.453 0.667 0.333 O 1.332 Z: 10 16.087 1.971 0.610 0.854 1.000 0.556 CA 1.248 10 residues pruned to eliminate duplicates Z: 6 6.551 1.703 0.747 0.413 0.800 0.600 CA 1.347 6 residues pruned to eliminate duplicates Z: 9 9.240 1.644 0.552 0.599 1.000 1.000 CB 1.166 8 residues pruned to eliminate duplicates Z: 17 16.479 1.966 0.312 0.728 0.938 0.750 CB 1.387 17 residues pruned to eliminate duplicates Z: 35 20.213 1.769 0.594 0.552 0.882 0.559 CB 1.325 35 residues pruned to eliminate duplicates Z: 6 3.237 1.431 0.586 0.445 0.600 0.600 N 1.125 5 residues pruned to eliminate duplicates Z: 7 2.491 1.686 0.041 0.246 0.667 0.500 N 1.166 Z: 18 15.534 1.802 0.452 0.834 0.941 0.765 CB 1.146 18 residues pruned to eliminate duplicates Z: 9 10.512 1.923 0.638 0.586 0.750 0.500 CB 1.448 9 residues pruned to eliminate duplicates Z: 16 12.639 1.824 0.581 0.405 0.867 0.600 CA 1.442 18 residues pruned to eliminate duplicates Z: 6 3.214 1.865 0.309 0.503 0.800 0.400 CB 0.734 Z: 19 26.524 1.982 1.112 0.860 0.944 0.500 CB 1.163 19 residues pruned to eliminate duplicates Z: 16 18.883 1.868 0.430 0.891 1.000 0.800 CB 1.312 16 residues pruned to eliminate duplicates Z: 37 19.487 1.946 0.478 0.407 0.889 0.500 CB 1.402 43 residues pruned to eliminate duplicates Z: 6 13.442 1.837 0.803 0.771 1.000 0.800 CA 1.428 6 residues pruned to eliminate duplicates Z: 7 7.854 1.516 0.432 0.850 1.000 0.833 CB 1.094 Z: 11 3.770 1.452 -0.151 0.596 1.000 0.600 CB 0.883 Z: 14 4.707 1.600 0.171 0.372 0.846 0.462 CB 0.944 Z: 13 9.994 1.947 0.303 0.420 0.833 0.500 CB 1.483 13 residues pruned to eliminate duplicates Z: 15 31.851 2.119 1.113 0.878 0.929 0.786 CB 1.486 12 residues pruned to eliminate duplicates Z: 9 6.982 1.636 0.594 0.540 0.750 0.500 CB 1.213 Z: 13 10.727 1.676 0.500 0.872 0.917 0.750 CB 0.979 11 residues pruned to eliminate duplicates Z: 7 5.198 1.412 0.509 0.541 0.833 0.667 CB 1.148 Z: 14 12.381 1.783 0.204 0.928 1.000 0.846 CB 1.121 14 residues pruned to eliminate duplicates Z: 6 3.383 1.645 0.620 0.479 0.600 0.600 CA 0.966 Z: 11 10.590 1.714 0.362 0.729 0.900 0.800 CB 1.297 11 residues pruned to eliminate duplicates Z: 21 29.491 2.061 0.946 0.772 0.950 0.500 CB 1.360 21 residues pruned to eliminate duplicates Z: 23 20.925 1.897 0.778 0.611 0.909 0.500 CA 1.309 23 residues pruned to eliminate duplicates Z: 6 4.706 1.179 0.282 0.878 1.000 0.800 N 1.010 Z: 47 34.660 2.105 0.824 0.541 0.978 0.717 CB 1.306 47 residues pruned to eliminate duplicates Z: 49 25.132 1.851 0.733 0.548 0.917 0.521 CB 1.177 49 residues pruned to eliminate duplicates Z: 14 17.602 1.735 0.497 0.867 1.000 0.692 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 7.161 1.684 0.617 0.311 0.833 0.500 CB 1.123 13 residues pruned to eliminate duplicates Z: 18 18.998 1.904 0.415 0.933 1.000 0.941 CA 1.193 18 residues pruned to eliminate duplicates Z: 37 18.409 1.997 0.434 0.446 0.917 0.611 CB 1.235 36 residues pruned to eliminate duplicates Z: 20 10.583 1.553 0.605 0.535 0.842 0.579 CB 1.117 12 residues pruned to eliminate duplicates Z: 11 11.006 1.756 0.325 0.668 1.000 0.800 CA 1.280 11 residues pruned to eliminate duplicates Z: 32 19.315 1.815 0.352 0.642 0.935 0.548 CB 1.323 32 residues pruned to eliminate duplicates Z: 7 3.752 1.514 0.113 0.401 0.833 0.667 O 1.211 7 residues pruned to eliminate duplicates Z: 13 7.862 2.014 0.159 0.363 0.833 0.500 CB 1.352 13 residues pruned to eliminate duplicates Z: 16 18.658 1.815 0.674 0.914 1.000 0.667 CB 1.121 16 residues pruned to eliminate duplicates Z: 18 17.720 1.922 0.567 0.649 0.941 0.824 CA 1.319 18 residues pruned to eliminate duplicates Z: 16 14.805 1.749 0.336 0.915 1.000 0.933 CB 1.156 15 residues pruned to eliminate duplicates Z: 11 9.711 1.723 0.527 0.421 1.000 0.500 CA 1.267 11 residues pruned to eliminate duplicates Z: 8 14.963 2.172 0.888 0.491 0.857 0.429 CA 1.624 7 residues pruned to eliminate duplicates Z: 29 22.292 1.799 0.668 0.689 0.964 0.643 CB 1.224 29 residues pruned to eliminate duplicates Z: 16 10.942 1.692 0.200 0.790 0.933 0.733 CA 1.156 16 residues pruned to eliminate duplicates Z: 23 21.844 2.019 0.721 0.493 0.955 0.727 CA 1.414 23 residues pruned to eliminate duplicates Z: 38 18.940 2.049 0.442 0.425 0.892 0.649 CB 1.278 38 residues pruned to eliminate duplicates Z: 6 6.152 1.446 0.632 0.854 1.000 0.600 CA 0.861 6 residues pruned to eliminate duplicates Z: 6 2.520 1.702 -0.167 0.495 0.800 0.600 CB 1.000 Z: 47 35.392 2.189 0.773 0.614 0.935 0.696 CB 1.291 62 residues pruned to eliminate duplicates Z: 7 3.665 1.575 -0.270 0.611 1.000 0.667 CB 1.172 Z: 8 6.378 1.722 0.342 0.584 1.000 0.571 N 0.963 8 residues pruned to eliminate duplicates Z: 10 5.364 1.439 0.338 0.650 0.889 0.889 CB 0.909 10 residues pruned to eliminate duplicates Z: 15 5.790 1.572 0.326 0.495 0.786 0.429 CB 0.949 15 residues pruned to eliminate duplicates Z: 10 3.590 1.643 0.104 0.215 0.778 0.444 CB 1.186 Z: 16 25.166 2.031 1.157 0.947 1.000 0.733 CB 1.025 15 residues pruned to eliminate duplicates Z: 7 4.929 1.532 0.687 0.395 1.000 0.833 CB 0.870 Z: 6 5.300 1.617 0.491 0.774 1.000 0.600 CA 0.771 Z: 6 4.862 1.582 0.228 0.846 1.000 0.800 CA 0.832 6 residues pruned to eliminate duplicates Z: 6 2.699 1.746 -0.219 0.579 0.800 0.400 CB 1.025 Z: 48 19.328 1.636 0.550 0.503 0.915 0.638 CB 1.211 39 residues pruned to eliminate duplicates Z: 7 5.631 1.451 0.486 0.810 1.000 0.833 CA 0.814 7 residues pruned to eliminate duplicates Z: 16 10.191 1.506 0.398 0.912 1.000 0.867 CB 0.885 16 residues pruned to eliminate duplicates Z: 14 13.223 1.823 0.362 0.849 0.923 0.385 CA 1.186 14 residues pruned to eliminate duplicates Z: 63 35.887 2.107 0.724 0.541 0.903 0.548 CB 1.335 63 residues pruned to eliminate duplicates Z: 15 18.098 1.802 0.706 0.735 0.929 0.643 CB 1.372 16 residues pruned to eliminate duplicates Z: 14 13.095 1.594 0.854 0.869 1.000 0.923 CB 0.898 12 residues pruned to eliminate duplicates Z: 8 4.523 1.594 0.578 0.329 0.714 0.429 CB 1.148 Z: 15 7.683 1.623 0.469 0.404 0.857 0.643 CB 1.112 15 residues pruned to eliminate duplicates Z: 47 29.213 2.027 0.551 0.611 0.913 0.609 CB 1.351 48 residues pruned to eliminate duplicates Z: 16 14.401 1.796 0.306 0.914 1.000 0.867 CB 1.121 16 residues pruned to eliminate duplicates Z: 6 6.098 1.777 0.524 0.291 1.000 0.400 CA 1.273 Z: 16 13.037 1.797 0.322 0.820 1.000 0.667 CA 1.073 16 residues pruned to eliminate duplicates Z: 11 12.584 1.774 0.743 0.581 0.900 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 14 30.685 2.085 1.066 0.918 1.000 0.846 CA 1.393 Z: 6 6.403 1.614 0.602 0.647 0.800 0.800 CB 1.207 6 residues pruned to eliminate duplicates Z: 11 18.715 1.940 0.772 0.876 1.000 0.600 CA 1.251 11 residues pruned to eliminate duplicates Z: 10 8.589 1.568 0.241 0.675 1.000 0.778 CB 1.252 11 residues pruned to eliminate duplicates Z: 19 30.266 2.091 0.757 0.892 0.944 0.667 CA 1.476 19 residues pruned to eliminate duplicates Z: 49 21.442 1.949 0.580 0.440 0.812 0.500 CB 1.316 49 residues pruned to eliminate duplicates Z: 36 18.322 1.956 0.462 0.379 0.886 0.457 CA 1.391 36 residues pruned to eliminate duplicates Z: 51 38.306 2.029 0.764 0.743 0.900 0.640 CB 1.353 52 residues pruned to eliminate duplicates Z: 6 3.781 1.559 0.421 0.526 1.000 0.600 CB 0.744 5 residues pruned to eliminate duplicates Z: 10 5.844 1.444 1.077 0.380 0.778 0.444 CB 0.948 Z: 23 16.559 1.995 0.424 0.544 0.909 0.591 CB 1.309 23 residues pruned to eliminate duplicates Z: 7 10.610 1.864 0.973 0.792 0.667 0.333 CB 1.367 7 residues pruned to eliminate duplicates Z: 22 15.807 1.987 0.550 0.506 0.905 0.714 CB 1.230 23 residues pruned to eliminate duplicates Z: 15 14.819 1.660 0.484 0.853 1.000 0.929 CA 1.188 15 residues pruned to eliminate duplicates Z: 58 34.529 2.055 0.560 0.588 0.930 0.632 CB 1.410 58 residues pruned to eliminate duplicates Z: 11 22.030 2.022 0.836 0.925 1.000 1.000 CA 1.317 11 residues pruned to eliminate duplicates Z: 11 8.641 1.716 0.768 0.457 0.900 0.600 CB 1.045 10 residues pruned to eliminate duplicates Z: 30 13.883 2.003 0.313 0.448 0.862 0.517 CB 1.200 30 residues pruned to eliminate duplicates Z: 15 16.250 1.750 0.743 0.897 0.929 0.714 CB 1.098 15 residues pruned to eliminate duplicates Z: 16 12.939 1.808 0.325 0.867 0.933 0.800 CB 1.093 16 residues pruned to eliminate duplicates Z: 9 9.895 1.778 0.450 0.791 1.000 0.750 CA 1.051 9 residues pruned to eliminate duplicates Z: 17 12.751 1.790 0.214 0.886 0.938 0.750 CA 1.128 17 residues pruned to eliminate duplicates Z: 8 3.140 1.503 0.534 0.294 0.714 0.714 CB 0.907 Z: 24 7.106 1.719 0.608 0.354 0.696 0.522 CB 0.902 24 residues pruned to eliminate duplicates Z: 15 11.218 1.908 0.688 0.449 0.714 0.500 CB 1.374 15 residues pruned to eliminate duplicates Z: 24 23.007 2.097 0.601 0.526 0.870 0.522 CA 1.602 24 residues pruned to eliminate duplicates Z: 8 2.816 1.523 -0.043 0.560 1.000 0.714 CB 0.689 8 residues pruned to eliminate duplicates Z: 9 6.749 1.696 0.254 0.695 0.875 0.625 CB 1.073 9 residues pruned to eliminate duplicates Z: 6 3.299 1.421 0.570 0.282 0.800 0.400 CB 1.058 Z: 12 4.424 1.761 0.607 0.175 0.727 0.364 CB 0.961 14 residues pruned to eliminate duplicates Z: 10 12.043 1.896 0.257 0.892 1.000 0.778 CB 1.210 10 residues pruned to eliminate duplicates Z: 10 7.450 1.614 0.075 0.750 0.889 0.667 CB 1.288 10 residues pruned to eliminate duplicates Z: 18 17.458 1.668 0.772 0.904 1.000 0.765 CB 1.020 18 residues pruned to eliminate duplicates Z: 18 13.328 1.933 0.479 0.499 0.941 0.471 CB 1.203 18 residues pruned to eliminate duplicates Z: 17 15.437 1.844 0.312 0.885 1.000 0.812 CB 1.151 17 residues pruned to eliminate duplicates Z: 28 19.235 1.809 0.448 0.709 0.963 0.741 CB 1.214 28 residues pruned to eliminate duplicates Z: 10 6.199 1.645 0.106 0.597 0.889 0.667 CB 1.165 6 residues pruned to eliminate duplicates Z: 11 14.352 2.027 0.941 0.475 1.000 0.700 CA 1.183 11 residues pruned to eliminate duplicates Z: 12 14.026 2.087 0.914 0.803 0.818 0.364 CB 0.993 12 residues pruned to eliminate duplicates Z: 7 4.478 1.588 0.475 0.534 0.833 0.500 CB 0.906 Z: 17 16.975 1.951 0.470 0.938 1.000 0.875 CB 1.029 17 residues pruned to eliminate duplicates Z: 45 28.386 1.865 0.747 0.564 0.955 0.614 CA 1.294 45 residues pruned to eliminate duplicates Z: 8 14.814 2.042 0.758 0.769 1.000 0.714 CA 1.228 8 residues pruned to eliminate duplicates Z: 15 10.157 1.711 0.180 0.893 0.929 0.929 CB 1.040 16 residues pruned to eliminate duplicates Z: 14 6.759 1.803 0.510 0.390 0.846 0.385 CB 0.914 14 residues pruned to eliminate duplicates Z: 37 17.403 1.990 0.415 0.376 0.861 0.556 CA 1.365 37 residues pruned to eliminate duplicates Z: 45 19.455 1.926 0.553 0.370 0.841 0.500 CB 1.340 45 residues pruned to eliminate duplicates Z: 6 6.491 1.486 0.241 0.840 1.000 1.000 CB 1.175 6 residues pruned to eliminate duplicates Z: 11 3.170 1.410 0.219 0.416 0.700 0.300 CB 0.910 11 residues pruned to eliminate duplicates Z: 7 7.122 1.507 0.554 0.823 0.833 0.500 CB 1.126 7 residues pruned to eliminate duplicates Z: 6 2.563 1.311 0.154 0.295 1.000 0.800 N 0.954 Z: 11 6.861 1.665 0.417 0.590 0.700 0.300 CB 1.205 Z: 6 3.318 1.560 -0.023 0.581 0.800 0.600 CB 1.125 6 residues pruned to eliminate duplicates Z: 45 49.482 2.104 1.069 0.767 0.932 0.568 CB 1.451 45 residues pruned to eliminate duplicates Z: 16 17.542 1.752 0.548 0.913 1.000 0.800 CA 1.182 16 residues pruned to eliminate duplicates Z: 14 18.485 1.878 0.720 0.685 1.000 0.615 CB 1.339 14 residues pruned to eliminate duplicates Z: 21 15.970 1.878 0.569 0.610 0.900 0.750 CB 1.213 21 residues pruned to eliminate duplicates Z: 7 6.172 1.539 0.131 0.878 1.000 0.667 CB 1.050 7 residues pruned to eliminate duplicates Z: 57 54.868 2.090 1.024 0.755 0.964 0.625 CB 1.432 57 residues pruned to eliminate duplicates Z: 17 14.015 1.819 0.133 0.907 1.000 0.875 CB 1.209 17 residues pruned to eliminate duplicates Z: 15 12.221 1.825 0.038 0.930 1.000 0.929 CA 1.205 15 residues pruned to eliminate duplicates Z: 15 9.753 1.567 0.653 0.859 0.857 0.643 CB 0.864 15 residues pruned to eliminate duplicates Z: 17 14.514 1.781 0.434 0.854 0.938 0.875 CA 1.119 17 residues pruned to eliminate duplicates Z: 17 13.448 1.593 0.475 0.841 0.875 0.625 CB 1.219 17 residues pruned to eliminate duplicates Z: 32 21.264 2.022 0.527 0.475 0.839 0.548 CA 1.513 32 residues pruned to eliminate duplicates Z: 27 25.730 1.989 0.874 0.644 0.923 0.577 CB 1.283 27 residues pruned to eliminate duplicates Z: 14 10.616 1.680 0.950 0.930 1.000 0.538 CB 0.629 14 residues pruned to eliminate duplicates Z: 8 5.209 1.707 0.164 0.339 0.857 0.571 N 1.378 8 residues pruned to eliminate duplicates Z: 9 6.192 1.713 0.271 0.824 0.875 0.625 CA 0.868 9 residues pruned to eliminate duplicates Z: 9 3.952 1.529 0.319 0.423 0.750 0.500 CB 1.000 9 residues pruned to eliminate duplicates 7 1.745 1.708 -0.217 0.318 0.667 0.333 CB 0.977 ? Z: 65 24.399 1.962 0.506 0.449 0.859 0.516 CB 1.265 65 residues pruned to eliminate duplicates Z: 15 12.511 1.795 0.439 0.788 0.929 0.500 CA 1.082 15 residues pruned to eliminate duplicates Z: 9 6.724 1.648 0.142 0.551 0.875 0.625 C 1.373 9 residues pruned to eliminate duplicates Z: 16 16.542 1.639 0.586 0.843 1.000 0.600 CB 1.224 16 residues pruned to eliminate duplicates 6 1.059 1.248 0.214 0.486 0.800 0.400 CB 0.396 ? Z: 17 16.535 1.844 0.366 0.900 1.000 0.875 CB 1.172 17 residues pruned to eliminate duplicates Z: 56 25.534 1.886 0.582 0.543 0.855 0.600 CB 1.294 56 residues pruned to eliminate duplicates Z: 11 4.376 1.495 0.369 0.580 1.000 0.600 CB 0.626 17 residues pruned to eliminate duplicates Z: 14 12.224 1.636 0.705 0.913 1.000 0.385 CB 0.860 14 residues pruned to eliminate duplicates Z: 14 16.143 1.841 0.360 0.880 1.000 0.692 CA 1.295 14 residues pruned to eliminate duplicates Z: 25 21.415 2.103 0.635 0.585 0.917 0.542 CB 1.278 39 residues pruned to eliminate duplicates Z: 11 3.839 1.743 0.310 0.302 0.700 0.400 CA 0.948 Z: 13 8.910 1.654 0.413 0.905 1.000 0.917 CB 0.783 13 residues pruned to eliminate duplicates Z: 12 26.797 2.227 0.839 0.889 0.909 0.818 CA 1.562 12 residues pruned to eliminate duplicates Z: 22 14.701 1.952 0.674 0.431 0.857 0.571 CA 1.230 22 residues pruned to eliminate duplicates Z: 6 2.271 1.524 0.588 0.282 0.800 0.600 CB 0.670 Z: 10 15.741 2.137 0.685 0.724 1.000 0.778 CB 1.190 10 residues pruned to eliminate duplicates Z: 11 10.915 1.839 0.321 0.551 1.000 0.400 CB 1.351 11 residues pruned to eliminate duplicates Z: 10 22.202 1.899 1.228 0.909 1.000 0.778 CA 1.242 10 residues pruned to eliminate duplicates Z: 6 7.878 1.700 0.317 0.805 1.000 1.000 CA 1.206 Z: 15 11.129 1.925 0.191 0.947 1.000 1.000 CB 0.897 15 residues pruned to eliminate duplicates Z: 11 6.106 1.680 0.187 0.401 1.000 0.700 CB 1.075 11 residues pruned to eliminate duplicates Z: 8 5.472 1.445 0.607 0.808 0.714 0.571 CA 0.953 8 residues pruned to eliminate duplicates Z: 11 6.445 1.767 0.360 0.538 0.900 0.600 CB 0.908 11 residues pruned to eliminate duplicates Z: 6 3.445 1.766 0.818 0.467 0.800 0.400 CB 0.620 Z: 9 2.024 1.483 0.330 0.087 0.500 0.250 N 1.237 Z: 45 31.153 2.003 0.675 0.655 0.864 0.659 CA 1.403 45 residues pruned to eliminate duplicates Z: 7 6.487 1.754 0.272 0.692 1.000 0.667 CA 0.995 7 residues pruned to eliminate duplicates Z: 11 9.915 1.688 0.102 0.899 1.000 0.800 CB 1.204 11 residues pruned to eliminate duplicates Z: 12 8.755 1.793 0.371 0.484 0.818 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 24 8.654 1.777 0.360 0.344 0.826 0.478 CB 1.070 24 residues pruned to eliminate duplicates Z: 8 5.079 1.619 0.209 0.533 1.000 0.714 CB 0.950 8 residues pruned to eliminate duplicates Z: 20 21.997 1.969 0.509 0.897 0.947 0.842 CA 1.284 20 residues pruned to eliminate duplicates Z: 13 8.836 1.629 0.866 0.393 0.917 0.750 CA 1.025 13 residues pruned to eliminate duplicates Z: 16 12.048 1.704 0.365 0.646 0.933 0.733 CA 1.250 16 residues pruned to eliminate duplicates Z: 14 8.566 1.667 0.275 0.517 0.923 0.692 CB 1.191 14 residues pruned to eliminate duplicates Z: 8 9.494 1.696 0.608 0.886 1.000 0.714 CB 0.950 8 residues pruned to eliminate duplicates Z: 6 9.480 1.751 0.460 0.672 1.000 1.000 CA 1.415 6 residues pruned to eliminate duplicates Z: 11 4.212 1.675 0.286 0.377 0.700 0.400 CB 1.008 Z: 25 26.545 1.945 0.654 0.760 0.958 0.792 CA 1.395 25 residues pruned to eliminate duplicates Z: 9 6.969 1.722 0.134 0.624 0.875 0.500 CA 1.283 9 residues pruned to eliminate duplicates Z: 13 9.248 1.695 0.934 0.912 0.917 0.583 CB 0.629 13 residues pruned to eliminate duplicates Z: 8 5.674 1.631 0.250 0.708 0.857 0.429 CA 1.016 8 residues pruned to eliminate duplicates Z: 23 15.737 1.839 0.391 0.637 0.909 0.591 CB 1.269 23 residues pruned to eliminate duplicates Z: 21 19.029 1.964 0.488 0.631 1.000 0.750 CB 1.288 21 residues pruned to eliminate duplicates Z: 38 17.819 1.748 0.576 0.456 0.892 0.514 CA 1.247 38 residues pruned to eliminate duplicates Z: 9 5.323 1.450 0.121 0.580 1.000 0.750 CB 1.071 9 residues pruned to eliminate duplicates Z: 7 16.745 1.935 0.883 0.798 1.000 1.000 CA 1.445 7 residues pruned to eliminate duplicates Z: 11 4.841 1.809 0.003 0.332 0.900 0.400 CB 1.127 11 residues pruned to eliminate duplicates Z: 54 36.684 2.083 0.723 0.599 0.981 0.660 CA 1.302 70 residues pruned to eliminate duplicates Z: 6 11.350 1.845 0.657 0.728 1.000 0.600 CA 1.352 6 residues pruned to eliminate duplicates Z: 10 9.569 1.729 0.387 0.639 0.889 0.889 CB 1.313 10 residues pruned to eliminate duplicates Z: 9 9.494 1.574 0.332 0.814 1.000 0.625 CB 1.219 9 residues pruned to eliminate duplicates Z: 52 33.827 2.003 0.735 0.637 0.902 0.647 CB 1.329 52 residues pruned to eliminate duplicates Z: 24 15.459 1.794 0.575 0.466 0.870 0.435 CA 1.358 24 residues pruned to eliminate duplicates Z: 13 4.353 1.619 0.380 0.201 0.667 0.417 N 1.204 7 residues pruned to eliminate duplicates Z: 17 12.706 1.799 0.298 0.832 1.000 0.750 CA 1.021 17 residues pruned to eliminate duplicates Z: 6 2.336 1.610 -0.200 0.264 1.000 0.400 CA 1.061 Z: 6 5.226 1.667 0.551 0.827 1.000 0.800 CA 0.681 6 residues pruned to eliminate duplicates Z: 8 7.795 1.694 0.255 0.599 1.000 0.286 CB 1.262 Z: 11 8.520 1.803 0.307 0.419 0.800 0.600 N 1.555 11 residues pruned to eliminate duplicates Z: 14 10.700 1.599 0.630 0.908 0.923 0.538 CB 0.876 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 32.090 2.254 1.016 0.921 0.917 0.500 CA 1.564 13 residues pruned to eliminate duplicates Z: 43 38.864 2.149 0.790 0.588 0.952 0.643 CB 1.504 43 residues pruned to eliminate duplicates Z: 47 35.650 2.102 0.729 0.566 0.935 0.630 CB 1.452 47 residues pruned to eliminate duplicates Z: 27 30.208 2.063 0.931 0.599 0.923 0.577 CB 1.467 27 residues pruned to eliminate duplicates Z: 41 36.218 2.140 0.938 0.603 0.850 0.575 CA 1.472 41 residues pruned to eliminate duplicates Z: 81 39.673 2.096 0.543 0.553 0.913 0.588 CB 1.427 81 residues pruned to eliminate duplicates Z: 52 24.300 1.982 0.622 0.537 0.843 0.510 CB 1.211 52 residues pruned to eliminate duplicates Z: 45 34.073 2.158 0.787 0.538 0.818 0.500 CB 1.569 45 residues pruned to eliminate duplicates Z: 35 32.571 2.089 0.712 0.679 0.941 0.559 CB 1.407 35 residues pruned to eliminate duplicates Z: 11 3.556 1.404 0.484 0.312 0.700 0.400 CB 0.949 11 residues pruned to eliminate duplicates Z: 9 3.885 1.513 0.443 0.429 0.750 0.500 CB 0.903 7 residues pruned to eliminate duplicates Z: 18 22.070 1.987 0.486 0.916 1.000 0.941 CA 1.280 17 residues pruned to eliminate duplicates Z: 19 22.210 1.852 0.743 0.913 1.000 0.889 CA 1.148 18 residues pruned to eliminate duplicates Z: 18 22.814 1.911 0.517 0.942 1.000 0.824 CA 1.324 18 residues pruned to eliminate duplicates Z: 39 47.420 2.218 0.917 0.804 0.921 0.789 CB 1.506 39 residues pruned to eliminate duplicates Z: 40 46.482 2.219 0.802 0.779 0.923 0.667 CA 1.576 40 residues pruned to eliminate duplicates Z: 24 22.940 1.991 0.774 0.627 0.913 0.696 CB 1.317 19 residues pruned to eliminate duplicates Z: 16 42.123 2.169 1.294 0.932 1.000 0.867 CA 1.527 16 residues pruned to eliminate duplicates Z: 47 36.386 2.082 0.854 0.674 0.870 0.652 CB 1.362 47 residues pruned to eliminate duplicates Z: 19 28.163 2.097 1.139 0.782 0.889 0.611 CB 1.299 19 residues pruned to eliminate duplicates Z: 63 42.498 2.024 0.839 0.669 0.887 0.645 CB 1.398 63 residues pruned to eliminate duplicates Z: 41 50.405 2.171 1.011 0.763 0.950 0.625 CB 1.521 41 residues pruned to eliminate duplicates Z: 56 54.333 2.140 0.999 0.747 0.909 0.636 CB 1.512 62 residues pruned to eliminate duplicates Z: 17 33.402 2.061 1.176 0.894 1.000 0.500 CB 1.336 17 residues pruned to eliminate duplicates Z: 62 46.772 2.071 0.798 0.719 0.902 0.721 CA 1.464 62 residues pruned to eliminate duplicates Z: 19 29.403 2.018 1.096 0.785 1.000 0.556 CA 1.276 19 residues pruned to eliminate duplicates Z: 16 36.554 2.206 1.214 0.935 1.000 0.667 CB 1.347 16 residues pruned to eliminate duplicates Z: 63 48.143 2.075 0.924 0.686 0.903 0.694 CB 1.430 57 residues pruned to eliminate duplicates Z: 21 22.852 2.081 0.943 0.731 0.850 0.650 CB 1.208 21 residues pruned to eliminate duplicates Z: 61 46.275 2.063 0.810 0.696 0.933 0.667 CA 1.434 61 residues pruned to eliminate duplicates Z: 41 50.218 2.193 1.049 0.756 0.925 0.625 CB 1.521 47 residues pruned to eliminate duplicates Z: 21 26.115 2.044 0.448 0.903 0.950 0.800 CA 1.481 21 residues pruned to eliminate duplicates Z: 28 26.732 2.095 0.796 0.641 0.815 0.481 CA 1.471 28 residues pruned to eliminate duplicates Z: 39 54.109 2.206 1.102 0.803 0.947 0.658 CB 1.534 39 residues pruned to eliminate duplicates Z: 56 50.871 2.094 0.981 0.746 0.927 0.545 CB 1.432 56 residues pruned to eliminate duplicates Z: 39 49.403 2.189 1.126 0.791 0.921 0.474 CB 1.448 39 residues pruned to eliminate duplicates Z: 61 50.009 2.092 1.023 0.694 0.900 0.550 CB 1.419 61 residues pruned to eliminate duplicates Z: 20 35.650 2.128 0.807 0.912 0.947 0.368 CA 1.590 20 residues pruned to eliminate duplicates Z: 45 48.041 2.156 0.920 0.745 0.977 0.591 CB 1.438 45 residues pruned to eliminate duplicates Z: 19 28.871 2.166 0.895 0.873 0.778 0.333 CB 1.553 19 residues pruned to eliminate duplicates Z: 41 43.302 2.187 0.976 0.763 0.850 0.500 CB 1.476 41 residues pruned to eliminate duplicates Z: 55 52.021 2.122 0.936 0.756 0.944 0.500 CB 1.453 55 residues pruned to eliminate duplicates Z: 56 58.084 2.137 1.077 0.759 0.964 0.473 CB 1.454 56 residues pruned to eliminate duplicates Z: 19 39.348 2.199 0.949 0.911 0.944 0.389 CB 1.624 19 residues pruned to eliminate duplicates Z: 43 30.529 1.943 0.745 0.660 0.857 0.429 CB 1.397 43 residues pruned to eliminate duplicates Z: 49 37.784 2.072 0.980 0.626 0.854 0.479 CB 1.382 49 residues pruned to eliminate duplicates Z: 54 43.883 2.101 0.986 0.760 0.849 0.415 CB 1.350 54 residues pruned to eliminate duplicates Z: 63 46.018 2.024 0.931 0.652 0.952 0.516 CB 1.364 63 residues pruned to eliminate duplicates Z: 55 55.744 2.100 1.051 0.760 0.963 0.630 CB 1.451 55 residues pruned to eliminate duplicates Z: 62 51.037 2.040 1.025 0.711 0.967 0.639 CB 1.350 62 residues pruned to eliminate duplicates Z: 21 17.045 1.863 0.674 0.563 0.900 0.600 CB 1.277 21 residues pruned to eliminate duplicates Z: 18 22.431 1.953 1.015 0.679 0.941 0.529 CA 1.245 18 residues pruned to eliminate duplicates Z: 17 19.452 1.939 0.708 0.652 1.000 0.438 CA 1.275 17 residues pruned to eliminate duplicates Z: 6 4.723 1.717 0.704 0.372 0.600 0.600 CA 1.380 6 residues pruned to eliminate duplicates Z: 17 19.435 1.955 0.664 0.676 0.938 0.562 CA 1.354 17 residues pruned to eliminate duplicates Z: 17 18.504 1.902 0.859 0.647 0.875 0.438 CA 1.303 17 residues pruned to eliminate duplicates Z: 56 53.615 2.122 1.064 0.741 0.927 0.400 CB 1.434 56 residues pruned to eliminate duplicates Z: 62 47.123 2.055 0.986 0.663 0.934 0.525 CB 1.360 62 residues pruned to eliminate duplicates Z: 55 58.878 2.155 1.039 0.779 0.944 0.685 CB 1.509 56 residues pruned to eliminate duplicates Z: 12 19.045 1.895 0.814 0.902 1.000 0.455 CA 1.191 12 residues pruned to eliminate duplicates Z: 14 24.825 2.010 0.913 0.816 1.000 0.538 CA 1.360 14 residues pruned to eliminate duplicates Z: 12 19.842 1.876 1.037 0.887 0.909 0.727 CA 1.241 12 residues pruned to eliminate duplicates Z: 16 25.683 1.970 0.892 0.805 1.000 0.733 CA 1.364 16 residues pruned to eliminate duplicates Z: 17 22.407 1.936 0.824 0.734 1.000 0.625 CA 1.285 17 residues pruned to eliminate duplicates Z: 16 20.031 1.888 0.795 0.759 1.000 0.733 CA 1.212 16 residues pruned to eliminate duplicates Z: 13 24.469 2.096 0.939 0.807 1.000 1.000 CA 1.329 13 residues pruned to eliminate duplicates Z: 62 36.096 2.065 0.757 0.567 0.869 0.508 CB 1.375 62 residues pruned to eliminate duplicates Z: 35 21.839 2.020 0.410 0.596 0.912 0.706 CB 1.315 35 residues pruned to eliminate duplicates Z: 35 21.268 2.023 0.432 0.565 0.853 0.618 CB 1.386 35 residues pruned to eliminate duplicates Z: 34 30.379 2.084 0.665 0.658 0.909 0.545 CA 1.447 34 residues pruned to eliminate duplicates Z: 43 35.600 2.059 0.985 0.549 0.905 0.548 CA 1.416 43 residues pruned to eliminate duplicates Z: 31 22.317 2.053 0.503 0.614 0.867 0.667 CB 1.368 31 residues pruned to eliminate duplicates Z: 35 34.246 2.131 0.730 0.708 0.912 0.529 CB 1.446 35 residues pruned to eliminate duplicates Z: 37 22.454 2.012 0.576 0.577 0.889 0.556 CB 1.233 37 residues pruned to eliminate duplicates Z: 47 35.851 2.096 0.669 0.635 0.935 0.587 CB 1.424 47 residues pruned to eliminate duplicates Z: 36 22.156 1.997 0.383 0.604 0.971 0.657 CB 1.265 36 residues pruned to eliminate duplicates Z: 35 19.702 1.997 0.327 0.597 0.912 0.676 CB 1.275 35 residues pruned to eliminate duplicates Z: 21 22.508 2.088 0.519 0.688 0.950 0.700 CB 1.406 21 residues pruned to eliminate duplicates Z: 31 23.915 2.067 0.624 0.611 0.900 0.600 CB 1.300 31 residues pruned to eliminate duplicates Z: 27 17.100 2.013 0.756 0.554 0.808 0.308 CB 1.115 27 residues pruned to eliminate duplicates Z: 49 37.481 2.089 0.889 0.639 0.875 0.375 CB 1.375 49 residues pruned to eliminate duplicates Z: 13 29.976 2.212 0.871 0.911 1.000 0.333 CB 1.481 13 residues pruned to eliminate duplicates Z: 80 38.409 2.042 0.656 0.548 0.848 0.595 CB 1.437 80 residues pruned to eliminate duplicates Z: 24 18.500 2.025 0.702 0.568 0.870 0.391 CB 1.205 24 residues pruned to eliminate duplicates Z: 27 19.621 1.913 0.500 0.574 0.962 0.346 CB 1.298 27 residues pruned to eliminate duplicates Z: 36 18.211 1.980 0.648 0.548 0.771 0.457 CB 1.167 36 residues pruned to eliminate duplicates Z: 38 22.788 1.981 0.747 0.550 0.865 0.459 CB 1.192 38 residues pruned to eliminate duplicates Z: 22 20.498 2.015 0.828 0.601 0.905 0.381 CB 1.219 22 residues pruned to eliminate duplicates Z: 26 28.920 2.057 0.996 0.703 0.920 0.440 CB 1.273 26 residues pruned to eliminate duplicates Z: 18 26.731 2.073 1.053 0.757 0.882 0.294 CB 1.373 27 residues pruned to eliminate duplicates Z: 6 2.159 1.105 0.895 0.439 0.800 0.600 N 0.614 6 residues pruned to eliminate duplicates Z: 22 17.184 1.920 0.639 0.622 0.952 0.667 CB 1.115 22 residues pruned to eliminate duplicates Z: 54 27.626 1.847 0.675 0.569 0.962 0.717 CB 1.192 52 residues pruned to eliminate duplicates Z: 6 4.703 1.638 0.878 0.378 1.000 0.000 CA 0.779 6 residues pruned to eliminate duplicates Z: 11 9.399 1.871 0.373 0.555 0.800 0.500 CB 1.371 11 residues pruned to eliminate duplicates Z: 25 20.861 1.990 0.607 0.514 0.958 0.583 CB 1.370 25 residues pruned to eliminate duplicates Z: 12 11.608 1.855 0.649 0.596 0.909 0.545 CA 1.148 12 residues pruned to eliminate duplicates Z: 15 7.395 1.747 0.433 0.386 0.857 0.429 CB 1.040 15 residues pruned to eliminate duplicates Z: 9 8.719 1.721 0.507 0.635 0.875 0.750 CB 1.197 9 residues pruned to eliminate duplicates Z: 16 7.900 1.561 0.468 0.411 0.800 0.600 CB 1.221 16 residues pruned to eliminate duplicates Z: 8 7.430 1.715 0.396 0.600 0.857 0.429 CA 1.245 8 residues pruned to eliminate duplicates Z: 14 6.946 1.651 0.340 0.413 0.923 0.615 CB 1.033 14 residues pruned to eliminate duplicates Z: 24 14.529 1.724 0.336 0.543 1.000 0.652 CA 1.261 23 residues pruned to eliminate duplicates Z: 6 2.901 1.651 0.488 0.167 0.800 0.600 CA 0.989 Z: 6 3.972 1.685 0.520 0.423 0.800 0.200 CA 0.939 6 residues pruned to eliminate duplicates Z: 14 9.572 1.556 0.309 0.841 0.923 0.538 CA 1.053 14 residues pruned to eliminate duplicates Z: 28 19.717 1.838 0.443 0.733 0.926 0.815 CB 1.253 28 residues pruned to eliminate duplicates Z: 29 19.757 1.831 0.481 0.701 0.929 0.750 CB 1.234 29 residues pruned to eliminate duplicates Z: 28 21.873 1.830 0.653 0.723 0.926 0.778 CB 1.228 28 residues pruned to eliminate duplicates Z: 28 21.053 1.840 0.598 0.683 0.926 0.667 CB 1.258 28 residues pruned to eliminate duplicates Z: 27 22.507 1.842 0.566 0.761 0.962 0.808 CB 1.262 27 residues pruned to eliminate duplicates Z: 28 21.462 1.802 0.516 0.685 1.000 0.667 CA 1.276 28 residues pruned to eliminate duplicates Z: 17 18.461 1.766 0.586 0.939 1.000 0.625 CB 1.145 16 residues pruned to eliminate duplicates Z: 16 17.476 1.771 0.549 0.919 1.000 0.533 CA 1.159 16 residues pruned to eliminate duplicates Z: 29 24.784 1.804 0.740 0.742 0.964 0.786 CB 1.246 29 residues pruned to eliminate duplicates Z: 28 18.516 1.823 0.528 0.719 0.926 0.704 CB 1.133 28 residues pruned to eliminate duplicates Z: 17 15.056 1.759 0.475 0.861 0.938 0.875 CB 1.137 17 residues pruned to eliminate duplicates Z: 29 23.913 1.791 0.690 0.703 0.964 0.857 CB 1.287 29 residues pruned to eliminate duplicates Z: 28 24.558 1.830 0.635 0.741 0.963 0.667 CB 1.322 28 residues pruned to eliminate duplicates Z: 28 23.023 1.860 0.556 0.758 0.963 0.704 CB 1.263 29 residues pruned to eliminate duplicates Z: 20 14.185 1.768 0.301 0.765 0.947 0.526 CB 1.180 20 residues pruned to eliminate duplicates Z: 29 21.356 1.795 0.574 0.673 0.964 0.750 CB 1.263 28 residues pruned to eliminate duplicates Z: 7 3.870 1.466 0.540 0.415 0.833 0.333 N 0.918 7 residues pruned to eliminate duplicates Z: 28 22.074 1.802 0.680 0.738 0.963 0.667 CB 1.177 29 residues pruned to eliminate duplicates Z: 7 7.129 1.597 0.609 0.407 1.000 0.833 CA 1.249 Z: 17 18.201 1.757 0.444 0.879 1.000 0.625 CA 1.300 17 residues pruned to eliminate duplicates Z: 12 7.654 1.759 0.444 0.498 0.818 0.545 CB 1.113 12 residues pruned to eliminate duplicates Z: 121 39.252 1.927 0.533 0.531 0.908 0.533 CB 1.295 128 residues pruned to eliminate duplicates Z: 18 14.154 1.679 0.328 0.847 0.941 0.647 CA 1.213 18 residues pruned to eliminate duplicates Z: 39 26.905 1.888 0.681 0.635 0.947 0.579 CB 1.279 39 residues pruned to eliminate duplicates Z: 13 9.968 1.753 0.460 0.619 1.000 0.333 CB 1.005 13 residues pruned to eliminate duplicates Z: 29 20.076 1.835 0.520 0.713 0.893 0.571 CB 1.255 29 residues pruned to eliminate duplicates Z: 56 27.837 1.855 0.582 0.632 0.945 0.618 CB 1.195 56 residues pruned to eliminate duplicates Z: 67 33.236 1.859 0.674 0.647 0.924 0.591 CB 1.239 66 residues pruned to eliminate duplicates Z: 18 21.863 1.796 0.939 0.850 1.000 0.647 CB 1.128 18 residues pruned to eliminate duplicates Z: 19 17.573 1.811 0.843 0.807 1.000 0.833 CB 0.949 19 residues pruned to eliminate duplicates Z: 33 22.839 1.872 0.644 0.626 0.938 0.625 CB 1.243 33 residues pruned to eliminate duplicates Z: 27 17.427 1.835 0.489 0.595 0.923 0.692 CB 1.237 27 residues pruned to eliminate duplicates Z: 33 21.540 1.880 0.512 0.632 0.906 0.625 CB 1.306 33 residues pruned to eliminate duplicates Z: 59 27.989 1.890 0.584 0.533 0.914 0.569 CB 1.301 59 residues pruned to eliminate duplicates Z: 64 33.133 1.866 0.619 0.639 0.921 0.524 CB 1.318 64 residues pruned to eliminate duplicates Z: 27 21.308 1.858 0.682 0.737 0.923 0.731 CB 1.171 27 residues pruned to eliminate duplicates Z: 63 31.384 1.872 0.585 0.660 0.935 0.613 CB 1.238 63 residues pruned to eliminate duplicates Z: 55 28.693 1.882 0.575 0.665 0.926 0.574 CB 1.221 55 residues pruned to eliminate duplicates Z: 25 16.180 1.850 0.447 0.705 0.875 0.792 CB 1.170 25 residues pruned to eliminate duplicates Z: 6 8.437 1.815 0.291 0.642 1.000 0.800 CB 1.410 6 residues pruned to eliminate duplicates Z: 40 20.090 1.868 0.517 0.518 0.897 0.538 CA 1.243 40 residues pruned to eliminate duplicates Z: 33 26.368 1.889 0.834 0.655 0.938 0.719 CB 1.243 33 residues pruned to eliminate duplicates Z: 36 25.900 1.883 0.757 0.613 0.943 0.543 CB 1.262 36 residues pruned to eliminate duplicates Z: 66 31.485 1.863 0.583 0.626 0.908 0.600 CB 1.296 66 residues pruned to eliminate duplicates Z: 36 27.658 1.869 0.795 0.632 0.971 0.657 CB 1.268 36 residues pruned to eliminate duplicates Z: 45 28.048 1.873 0.666 0.574 0.932 0.614 CB 1.354 45 residues pruned to eliminate duplicates Z: 54 31.177 1.886 0.646 0.591 0.925 0.566 CB 1.367 54 residues pruned to eliminate duplicates Z: 57 27.546 1.858 0.603 0.579 0.946 0.500 CB 1.211 57 residues pruned to eliminate duplicates Z: 74 25.890 1.871 0.486 0.452 0.918 0.507 CB 1.247 74 residues pruned to eliminate duplicates Z: 61 28.726 1.869 0.651 0.580 0.900 0.517 CB 1.237 61 residues pruned to eliminate duplicates Z: 55 29.201 1.873 0.700 0.604 0.889 0.556 CB 1.272 55 residues pruned to eliminate duplicates Z: 63 30.109 1.860 0.667 0.647 0.887 0.613 CB 1.212 63 residues pruned to eliminate duplicates Z: 34 25.894 1.845 0.689 0.658 0.939 0.515 CB 1.330 34 residues pruned to eliminate duplicates Z: 16 13.034 1.852 0.159 0.861 1.000 0.533 CA 1.152 16 residues pruned to eliminate duplicates Z: 42 22.490 1.854 0.578 0.534 0.854 0.537 CB 1.360 42 residues pruned to eliminate duplicates Z: 35 22.290 1.778 0.599 0.598 0.941 0.441 CA 1.301 35 residues pruned to eliminate duplicates Z: 30 22.882 1.857 0.594 0.658 0.966 0.552 CB 1.284 30 residues pruned to eliminate duplicates Z: 66 33.881 1.873 0.625 0.628 0.954 0.523 CB 1.283 66 residues pruned to eliminate duplicates Z: 57 26.801 1.827 0.616 0.607 0.929 0.554 CB 1.180 57 residues pruned to eliminate duplicates Z: 64 31.868 1.854 0.581 0.616 0.984 0.444 CB 1.247 64 residues pruned to eliminate duplicates Z: 44 20.559 1.816 0.552 0.452 0.930 0.442 CA 1.257 75 residues pruned to eliminate duplicates Z: 16 13.932 1.825 0.407 0.857 0.933 0.733 CA 1.106 16 residues pruned to eliminate duplicates Z: 63 28.875 1.837 0.568 0.580 0.952 0.694 CB 1.239 63 residues pruned to eliminate duplicates Z: 61 28.852 1.854 0.589 0.591 0.917 0.700 CB 1.265 61 residues pruned to eliminate duplicates Z: 45 23.065 1.856 0.509 0.555 0.932 0.545 CB 1.263 45 residues pruned to eliminate duplicates Z: 54 28.540 1.835 0.601 0.634 0.962 0.623 CB 1.223 54 residues pruned to eliminate duplicates Z: 101 39.684 1.901 0.608 0.547 0.930 0.630 CB 1.333 101 residues pruned to eliminate duplicates Z: 54 31.362 1.869 0.711 0.594 0.925 0.660 CB 1.332 54 residues pruned to eliminate duplicates Z: 67 34.572 1.854 0.738 0.617 0.924 0.530 CB 1.280 67 residues pruned to eliminate duplicates Z: 57 31.586 1.869 0.626 0.594 0.964 0.643 CB 1.316 57 residues pruned to eliminate duplicates Z: 41 25.535 1.822 0.696 0.549 0.950 0.600 CA 1.311 41 residues pruned to eliminate duplicates Z: 68 34.470 1.842 0.743 0.612 0.925 0.522 CB 1.275 68 residues pruned to eliminate duplicates Z: 30 19.197 1.822 0.575 0.667 0.897 0.517 CB 1.188 30 residues pruned to eliminate duplicates Z: 41 24.012 1.844 0.688 0.539 0.900 0.550 CA 1.304 41 residues pruned to eliminate duplicates Z: 65 32.079 1.837 0.753 0.634 0.906 0.672 CB 1.212 65 residues pruned to eliminate duplicates Z: 34 20.814 1.815 0.589 0.624 0.909 0.424 CB 1.229 34 residues pruned to eliminate duplicates Z: 23 20.221 1.812 0.787 0.613 0.909 0.545 CB 1.315 23 residues pruned to eliminate duplicates Z: 53 31.676 1.880 0.738 0.605 0.942 0.615 CB 1.292 53 residues pruned to eliminate duplicates Z: 11 12.563 1.761 0.937 0.727 0.900 0.600 CB 1.055 Z: 9 10.264 1.752 0.332 0.845 1.000 0.875 CB 1.157 9 residues pruned to eliminate duplicates Z: 11 9.229 1.658 0.472 0.688 0.900 0.800 CB 1.118 11 residues pruned to eliminate duplicates Z: 11 13.618 1.863 0.565 0.573 1.000 0.800 CB 1.376 11 residues pruned to eliminate duplicates Z: 11 12.304 1.756 0.740 0.596 0.900 0.800 CB 1.291 11 residues pruned to eliminate duplicates Z: 11 14.872 1.852 0.880 0.558 1.000 0.800 CB 1.276 11 residues pruned to eliminate duplicates Z: 11 12.401 1.764 0.865 0.662 0.900 0.700 CB 1.140 11 residues pruned to eliminate duplicates Z: 12 11.207 1.704 0.667 0.521 0.909 0.727 CA 1.281 12 residues pruned to eliminate duplicates Z: 13 11.956 1.609 0.971 0.620 0.917 0.750 CB 1.060 13 residues pruned to eliminate duplicates Z: 10 14.138 1.848 0.732 0.717 1.000 1.000 CB 1.210 10 residues pruned to eliminate duplicates Z: 10 18.079 1.897 0.958 0.699 1.000 0.889 CB 1.353 10 residues pruned to eliminate duplicates Z: 37 19.499 2.022 0.478 0.425 0.861 0.556 CB 1.366 37 residues pruned to eliminate duplicates Z: 38 21.765 1.993 0.551 0.435 0.946 0.622 CB 1.308 43 residues pruned to eliminate duplicates Z: 6 5.702 1.687 1.126 0.337 0.800 0.800 CB 1.062 6 residues pruned to eliminate duplicates Z: 37 19.579 2.014 0.503 0.414 0.861 0.611 CB 1.370 37 residues pruned to eliminate duplicates Z: 37 17.062 2.001 0.458 0.413 0.833 0.583 CB 1.281 37 residues pruned to eliminate duplicates Z: 38 17.378 2.002 0.418 0.395 0.892 0.486 CB 1.261 38 residues pruned to eliminate duplicates Z: 46 19.860 1.894 0.436 0.432 0.911 0.667 CB 1.282 46 residues pruned to eliminate duplicates Z: 40 19.337 1.962 0.615 0.406 0.846 0.487 CB 1.275 39 residues pruned to eliminate duplicates 6 1.627 1.430 0.264 0.477 0.600 0.400 CA 0.686 ? Z: 7 4.751 1.847 0.214 0.524 0.667 0.333 CA 1.267 7 residues pruned to eliminate duplicates Z: 38 21.549 1.969 0.578 0.459 0.919 0.595 CB 1.293 38 residues pruned to eliminate duplicates Z: 9 5.650 1.552 0.973 0.394 0.625 0.250 CA 1.168 9 residues pruned to eliminate duplicates Z: 19 13.328 1.878 0.594 0.416 0.944 0.500 CA 1.212 19 residues pruned to eliminate duplicates Z: 37 22.216 2.015 0.630 0.432 0.917 0.528 CB 1.320 37 residues pruned to eliminate duplicates Z: 36 21.274 2.005 0.623 0.411 0.943 0.486 CB 1.286 39 residues pruned to eliminate duplicates Z: 10 5.293 1.300 0.122 0.619 1.000 0.556 N 1.080 Z: 6 3.296 1.489 0.562 0.329 0.800 0.400 CB 0.955 6 residues pruned to eliminate duplicates Z: 15 20.918 2.174 0.567 0.568 0.929 0.786 CB 1.655 25 residues pruned to eliminate duplicates Z: 28 21.972 2.049 0.642 0.501 0.852 0.556 CB 1.473 29 residues pruned to eliminate duplicates Z: 7 3.837 1.735 0.697 0.329 0.667 0.500 CA 0.963 Z: 6 3.275 1.563 1.021 0.267 0.600 0.200 O 1.007 7 residues pruned to eliminate duplicates Z: 6 6.401 1.866 0.192 0.448 1.000 0.800 CA 1.358 Z: 6 2.742 1.395 0.454 0.452 0.800 0.400 N 0.793 Z: 7 4.357 1.901 -0.039 0.320 0.833 0.500 CA 1.425 Z: 7 11.342 1.825 1.117 0.481 0.833 0.500 CA 1.466 7 residues pruned to eliminate duplicates Z: 13 6.941 1.887 0.539 0.422 0.667 0.500 CB 1.122 20 residues pruned to eliminate duplicates Z: 16 11.291 1.821 0.768 0.362 0.800 0.467 CB 1.313 16 residues pruned to eliminate duplicates Z: 35 27.048 2.051 0.811 0.496 0.853 0.618 CB 1.470 53 residues pruned to eliminate duplicates Z: 35 27.944 2.009 0.772 0.459 0.912 0.588 CB 1.540 35 residues pruned to eliminate duplicates Z: 64 34.144 2.017 0.684 0.507 0.857 0.556 CB 1.467 64 residues pruned to eliminate duplicates Z: 31 36.296 2.137 0.944 0.635 0.933 0.600 CB 1.506 31 residues pruned to eliminate duplicates Z: 32 27.752 2.122 0.603 0.478 0.968 0.645 CA 1.549 32 residues pruned to eliminate duplicates Z: 48 27.246 2.005 0.611 0.564 0.894 0.532 CB 1.293 48 residues pruned to eliminate duplicates Z: 13 5.421 1.820 0.453 0.427 0.750 0.250 CB 0.851 13 residues pruned to eliminate duplicates Z: 25 18.970 2.079 0.717 0.350 0.875 0.625 CA 1.459 25 residues pruned to eliminate duplicates Z: 34 26.069 2.032 0.689 0.483 0.909 0.636 CB 1.481 34 residues pruned to eliminate duplicates Z: 17 14.797 1.882 0.486 0.865 0.938 0.875 CB 1.034 28 residues pruned to eliminate duplicates Z: 43 33.156 2.070 0.654 0.736 0.952 0.738 CB 1.270 43 residues pruned to eliminate duplicates Z: 12 20.420 2.161 0.810 0.941 1.000 1.000 CB 1.092 12 residues pruned to eliminate duplicates Z: 15 16.242 2.044 0.575 0.850 1.000 0.929 CB 0.999 15 residues pruned to eliminate duplicates Z: 15 21.718 2.040 1.167 0.953 1.000 1.000 CB 0.904 15 residues pruned to eliminate duplicates Z: 14 19.725 2.076 0.782 0.909 1.000 0.846 CB 1.050 14 residues pruned to eliminate duplicates Z: 33 14.181 1.800 0.737 0.449 0.844 0.469 CB 1.001 24 residues pruned to eliminate duplicates Z: 16 18.280 2.021 0.881 0.924 0.933 0.600 CB 0.934 16 residues pruned to eliminate duplicates Z: 54 40.341 2.054 0.670 0.759 0.943 0.642 CB 1.360 77 residues pruned to eliminate duplicates Z: 15 23.591 2.083 1.121 0.933 1.000 0.571 CB 0.996 14 residues pruned to eliminate duplicates Z: 16 19.215 2.032 0.974 0.929 0.933 0.467 CB 0.927 16 residues pruned to eliminate duplicates Z: 15 24.476 2.030 1.273 0.945 1.000 0.643 CB 0.981 15 residues pruned to eliminate duplicates Z: 13 25.457 2.115 1.148 0.935 1.000 0.583 CB 1.128 13 residues pruned to eliminate duplicates Z: 41 30.588 1.973 0.499 0.686 0.975 0.650 CB 1.415 41 residues pruned to eliminate duplicates Z: 39 29.992 2.050 0.442 0.709 0.921 0.684 CA 1.478 39 residues pruned to eliminate duplicates Z: 23 28.002 2.094 0.650 0.790 0.909 0.591 CA 1.474 23 residues pruned to eliminate duplicates Z: 38 33.540 2.068 0.604 0.721 0.919 0.649 CB 1.481 38 residues pruned to eliminate duplicates Z: 22 33.338 2.144 0.735 0.805 0.952 0.667 CA 1.574 22 residues pruned to eliminate duplicates Z: 39 31.543 2.049 0.431 0.713 0.974 0.632 CA 1.478 39 residues pruned to eliminate duplicates Z: 39 35.572 2.064 0.644 0.712 0.947 0.658 CB 1.481 39 residues pruned to eliminate duplicates Z: 23 25.674 2.015 0.704 0.727 0.909 0.364 CA 1.429 23 residues pruned to eliminate duplicates Z: 52 38.724 2.021 0.761 0.743 0.922 0.588 CB 1.330 52 residues pruned to eliminate duplicates Z: 52 39.862 2.017 0.787 0.726 0.922 0.529 CB 1.371 52 residues pruned to eliminate duplicates Z: 40 33.316 2.027 0.590 0.693 0.974 0.667 CA 1.424 40 residues pruned to eliminate duplicates Z: 39 32.400 2.050 0.557 0.703 0.947 0.658 CA 1.445 39 residues pruned to eliminate duplicates Z: 32 24.679 1.998 0.612 0.582 0.871 0.355 CB 1.459 32 residues pruned to eliminate duplicates Z: 39 38.154 2.050 1.007 0.801 0.947 0.553 CB 1.221 39 residues pruned to eliminate duplicates Z: 19 33.490 2.099 0.898 0.909 0.944 0.667 CB 1.489 19 residues pruned to eliminate duplicates Z: 27 31.406 2.069 0.802 0.713 0.923 0.538 CB 1.475 27 residues pruned to eliminate duplicates Z: 52 38.362 2.025 0.735 0.724 0.922 0.686 CB 1.355 52 residues pruned to eliminate duplicates Z: 39 39.020 2.073 0.767 0.736 0.947 0.711 CB 1.476 39 residues pruned to eliminate duplicates Z: 36 27.030 1.992 0.762 0.578 0.886 0.686 CB 1.363 36 residues pruned to eliminate duplicates Z: 38 37.445 2.088 0.680 0.737 0.946 0.730 CA 1.501 38 residues pruned to eliminate duplicates Z: 26 32.306 2.147 0.740 0.708 0.960 0.760 CA 1.492 26 residues pruned to eliminate duplicates Z: 30 23.634 1.998 0.631 0.659 0.828 0.690 CA 1.405 30 residues pruned to eliminate duplicates Z: 38 35.681 2.078 0.655 0.723 0.946 0.811 CA 1.475 38 residues pruned to eliminate duplicates Z: 42 34.628 2.003 0.673 0.700 0.927 0.659 CA 1.452 42 residues pruned to eliminate duplicates Z: 38 34.688 2.085 0.668 0.695 0.946 0.811 CA 1.451 38 residues pruned to eliminate duplicates Z: 17 15.345 1.918 0.324 0.697 0.938 0.688 CB 1.346 17 residues pruned to eliminate duplicates Z: 40 37.176 2.031 0.666 0.720 0.974 0.641 CA 1.481 40 residues pruned to eliminate duplicates Z: 19 15.081 1.849 0.548 0.587 0.833 0.667 CB 1.370 19 residues pruned to eliminate duplicates Z: 39 31.774 2.038 0.638 0.687 0.921 0.632 CA 1.413 39 residues pruned to eliminate duplicates Z: 17 18.317 1.973 0.457 0.646 0.938 0.625 CA 1.483 17 residues pruned to eliminate duplicates Z: 52 40.454 1.958 0.896 0.743 0.961 0.608 CB 1.277 52 residues pruned to eliminate duplicates Z: 14 20.757 1.964 0.699 0.768 1.000 0.692 CB 1.361 14 residues pruned to eliminate duplicates Z: 17 16.947 1.870 0.722 0.713 0.875 0.562 CB 1.240 17 residues pruned to eliminate duplicates Z: 14 19.838 1.990 0.760 0.792 0.846 0.692 CB 1.437 14 residues pruned to eliminate duplicates Z: 15 23.192 1.954 0.717 0.807 1.000 0.714 CA 1.414 15 residues pruned to eliminate duplicates Z: 18 20.269 1.829 0.873 0.744 0.941 0.706 CB 1.226 18 residues pruned to eliminate duplicates Z: 17 16.734 1.976 0.519 0.667 0.875 0.812 CB 1.364 17 residues pruned to eliminate duplicates Z: 69 30.932 2.001 0.643 0.420 0.868 0.544 CB 1.431 81 residues pruned to eliminate duplicates Z: 57 30.885 2.051 0.645 0.471 0.893 0.625 CB 1.410 57 residues pruned to eliminate duplicates Z: 57 27.813 2.023 0.494 0.475 0.929 0.661 CB 1.358 57 residues pruned to eliminate duplicates Z: 9 19.621 2.186 0.950 0.559 1.000 0.875 CA 1.537 9 residues pruned to eliminate duplicates Z: 11 11.800 2.095 0.602 0.460 0.900 0.400 CB 1.287 11 residues pruned to eliminate duplicates Z: 24 18.538 2.113 0.626 0.447 0.870 0.522 CB 1.366 24 residues pruned to eliminate duplicates Z: 10 15.225 2.101 0.757 0.476 1.000 0.778 CA 1.409 10 residues pruned to eliminate duplicates Z: 40 15.703 2.006 0.367 0.396 0.821 0.564 CB 1.248 40 residues pruned to eliminate duplicates Z: 16 6.776 1.909 0.209 0.249 0.867 0.400 CA 1.168 16 residues pruned to eliminate duplicates Z: 50 26.397 2.030 0.598 0.433 0.898 0.469 CB 1.388 50 residues pruned to eliminate duplicates Z: 49 22.222 1.933 0.526 0.411 0.854 0.417 CB 1.397 49 residues pruned to eliminate duplicates Z: 38 19.418 1.991 0.485 0.401 0.892 0.568 CB 1.344 38 residues pruned to eliminate duplicates Z: 50 22.683 1.957 0.591 0.390 0.918 0.633 CB 1.273 50 residues pruned to eliminate duplicates Z: 11 4.624 1.811 0.360 0.290 0.800 0.200 CA 0.939 11 residues pruned to eliminate duplicates Z: 13 6.686 1.828 0.486 0.309 0.833 0.167 CA 1.054 13 residues pruned to eliminate duplicates Z: 56 29.648 2.015 0.567 0.460 0.964 0.582 CB 1.369 56 residues pruned to eliminate duplicates Z: 44 23.660 1.977 0.594 0.399 0.930 0.442 CB 1.368 44 residues pruned to eliminate duplicates Z: 63 30.879 2.076 0.650 0.471 0.887 0.500 CB 1.328 63 residues pruned to eliminate duplicates Z: 43 20.795 1.952 0.540 0.424 0.905 0.452 CB 1.277 43 residues pruned to eliminate duplicates Z: 79 33.554 1.980 0.736 0.467 0.872 0.462 CB 1.310 79 residues pruned to eliminate duplicates Z: 72 27.265 1.972 0.591 0.437 0.873 0.507 CB 1.261 72 residues pruned to eliminate duplicates Z: 97 41.560 2.060 0.730 0.477 0.938 0.552 CB 1.300 97 residues pruned to eliminate duplicates Z: 37 19.985 1.973 0.553 0.402 0.861 0.500 CB 1.398 37 residues pruned to eliminate duplicates Z: 25 15.682 1.992 0.447 0.392 0.875 0.375 CB 1.423 25 residues pruned to eliminate duplicates Z: 54 22.982 2.009 0.559 0.441 0.849 0.547 CB 1.262 54 residues pruned to eliminate duplicates Z: 36 17.693 1.842 0.559 0.438 0.857 0.400 CB 1.296 36 residues pruned to eliminate duplicates Z: 52 23.006 1.957 0.521 0.418 0.882 0.490 CB 1.337 52 residues pruned to eliminate duplicates Z: 55 25.556 1.841 0.623 0.509 0.907 0.574 CB 1.272 55 residues pruned to eliminate duplicates Z: 67 23.937 1.971 0.515 0.351 0.909 0.455 CB 1.275 67 residues pruned to eliminate duplicates Z: 36 20.003 1.955 0.595 0.382 0.914 0.429 CB 1.344 36 residues pruned to eliminate duplicates Z: 31 17.135 1.939 0.626 0.395 0.867 0.500 CB 1.279 31 residues pruned to eliminate duplicates Z: 70 25.506 1.967 0.600 0.389 0.841 0.464 CB 1.305 70 residues pruned to eliminate duplicates Z: 21 17.475 1.944 0.515 0.508 0.950 0.700 CB 1.386 21 residues pruned to eliminate duplicates Z: 57 22.863 1.981 0.461 0.399 0.893 0.607 CB 1.314 57 residues pruned to eliminate duplicates Z: 20 16.664 1.969 0.532 0.453 1.000 0.632 CB 1.329 20 residues pruned to eliminate duplicates Z: 22 17.005 2.007 0.535 0.467 0.905 0.524 CB 1.377 22 residues pruned to eliminate duplicates Z: 56 23.472 1.951 0.456 0.393 0.909 0.509 CA 1.373 56 residues pruned to eliminate duplicates Z: 17 16.921 1.880 0.668 0.461 1.000 0.625 CB 1.404 17 residues pruned to eliminate duplicates Z: 106 46.398 2.053 0.722 0.469 0.943 0.438 CB 1.402 112 residues pruned to eliminate duplicates Z: 9 5.984 1.665 0.287 0.345 0.875 0.625 CB 1.334 9 residues pruned to eliminate duplicates Z: 19 14.523 1.941 0.477 0.397 0.944 0.556 CB 1.409 19 residues pruned to eliminate duplicates Z: 56 23.469 1.990 0.532 0.379 0.909 0.527 CB 1.298 56 residues pruned to eliminate duplicates Z: 10 11.589 1.929 0.602 0.570 0.889 0.556 CA 1.314 10 residues pruned to eliminate duplicates Z: 26 14.363 1.796 0.448 0.466 0.920 0.480 CB 1.243 26 residues pruned to eliminate duplicates Z: 48 26.506 1.872 0.551 0.584 0.979 0.596 CB 1.255 48 residues pruned to eliminate duplicates Z: 37 18.743 1.838 0.621 0.496 0.833 0.333 CB 1.264 37 residues pruned to eliminate duplicates Z: 44 17.440 1.837 0.459 0.385 0.860 0.581 CB 1.304 44 residues pruned to eliminate duplicates Z: 79 28.323 1.817 0.490 0.536 0.897 0.500 CB 1.275 90 residues pruned to eliminate duplicates Z: 12 5.259 1.750 0.691 0.436 0.727 0.545 CB 0.787 12 residues pruned to eliminate duplicates Z: 7 5.605 1.516 0.112 0.794 1.000 0.333 CB 1.048 7 residues pruned to eliminate duplicates Z: 7 7.289 1.525 0.336 0.839 1.000 0.667 CB 1.090 7 residues pruned to eliminate duplicates Z: 7 5.475 1.542 0.071 0.871 1.000 1.000 CB 0.987 7 residues pruned to eliminate duplicates Z: 11 5.135 1.486 0.268 0.652 0.800 0.700 CB 0.935 7 residues pruned to eliminate duplicates Z: 6 6.984 1.564 0.702 0.611 1.000 0.600 CA 1.056 6 residues pruned to eliminate duplicates Z: 19 6.640 1.539 0.460 0.325 0.889 0.444 CB 0.950 19 residues pruned to eliminate duplicates Z: 60 22.185 1.882 0.589 0.430 0.881 0.610 CB 1.178 75 residues pruned to eliminate duplicates Z: 7 5.564 1.677 0.512 0.526 1.000 0.500 CB 0.873 7 residues pruned to eliminate duplicates Z: 19 9.049 1.595 0.382 0.347 0.889 0.389 CB 1.286 19 residues pruned to eliminate duplicates Z: 35 13.426 1.669 0.534 0.375 0.853 0.441 CB 1.206 35 residues pruned to eliminate duplicates Z: 31 14.049 1.725 0.597 0.357 0.900 0.467 CB 1.206 31 residues pruned to eliminate duplicates Z: 11 9.011 1.764 0.322 0.648 0.900 0.700 CB 1.183 11 residues pruned to eliminate duplicates Z: 23 9.679 1.758 0.326 0.380 0.818 0.364 CA 1.230 72 residues pruned to eliminate duplicates Z: 10 13.852 1.818 0.653 0.715 1.000 0.778 CA 1.264 Z: 6 2.826 1.439 0.257 0.435 1.000 0.200 CA 0.747 6 residues pruned to eliminate duplicates Z: 14 10.152 1.677 0.370 0.635 0.923 0.615 CA 1.170 14 residues pruned to eliminate duplicates Z: 12 10.404 1.678 0.324 0.654 1.000 0.818 CA 1.224 12 residues pruned to eliminate duplicates Z: 11 8.607 1.757 0.261 0.562 0.900 0.800 CA 1.285 11 residues pruned to eliminate duplicates Z: 18 9.587 1.553 0.510 0.385 0.941 0.471 CB 1.190 12 residues pruned to eliminate duplicates Z: 7 3.481 1.425 0.274 0.386 1.000 0.667 CA 0.883 7 residues pruned to eliminate duplicates Z: 11 16.985 2.073 0.731 0.609 0.900 0.800 CA 1.500 11 residues pruned to eliminate duplicates Z: 18 13.624 1.957 0.422 0.501 0.941 0.824 CA 1.261 12 residues pruned to eliminate duplicates Z: 7 6.861 1.765 0.696 0.502 1.000 0.500 CA 0.933 7 residues pruned to eliminate duplicates Z: 11 11.881 2.169 0.164 0.575 1.000 0.800 CA 1.384 11 residues pruned to eliminate duplicates Z: 35 22.247 1.928 0.601 0.518 0.882 0.588 CB 1.376 40 residues pruned to eliminate duplicates Z: 6 4.069 1.611 0.906 0.281 1.000 0.800 CA 0.759 6 residues pruned to eliminate duplicates Z: 80 41.894 2.085 0.665 0.575 0.962 0.633 CB 1.314 80 residues pruned to eliminate duplicates Z: 22 17.900 1.955 0.763 0.411 0.810 0.619 CB 1.536 22 residues pruned to eliminate duplicates Z: 48 33.527 2.072 0.812 0.536 0.915 0.617 CA 1.373 48 residues pruned to eliminate duplicates Z: 78 46.213 2.106 0.758 0.578 0.948 0.636 CB 1.391 78 residues pruned to eliminate duplicates Z: 24 22.193 2.165 0.760 0.394 0.957 0.609 CA 1.421 24 residues pruned to eliminate duplicates Z: 66 46.463 2.181 0.825 0.613 0.908 0.631 CB 1.432 66 residues pruned to eliminate duplicates Z: 68 42.534 2.155 0.807 0.521 0.925 0.642 CA 1.412 68 residues pruned to eliminate duplicates Z: 63 38.394 2.166 0.614 0.555 0.968 0.597 CB 1.366 63 residues pruned to eliminate duplicates Z: 28 19.811 2.089 0.660 0.445 0.926 0.593 CA 1.257 28 residues pruned to eliminate duplicates Z: 72 41.473 2.112 0.729 0.556 0.930 0.549 CB 1.373 72 residues pruned to eliminate duplicates Z: 56 34.810 2.167 0.697 0.515 0.927 0.564 CB 1.357 56 residues pruned to eliminate duplicates Z: 75 43.639 2.116 0.735 0.562 0.946 0.608 CB 1.376 75 residues pruned to eliminate duplicates Z: 53 31.216 2.088 0.760 0.521 0.904 0.519 CB 1.276 53 residues pruned to eliminate duplicates Z: 42 31.770 2.132 0.656 0.550 0.976 0.585 CA 1.371 42 residues pruned to eliminate duplicates Z: 42 30.890 2.169 0.715 0.505 0.902 0.512 CB 1.431 42 residues pruned to eliminate duplicates Z: 39 37.585 2.213 0.889 0.578 0.947 0.553 CA 1.428 39 residues pruned to eliminate duplicates Z: 72 43.145 2.143 0.836 0.569 0.887 0.577 CB 1.372 72 residues pruned to eliminate duplicates Z: 50 33.623 2.157 0.704 0.578 0.959 0.449 CB 1.264 50 residues pruned to eliminate duplicates Z: 36 36.584 2.192 0.817 0.674 0.914 0.657 CB 1.447 36 residues pruned to eliminate duplicates Z: 61 42.476 2.181 0.805 0.556 0.933 0.517 CB 1.413 61 residues pruned to eliminate duplicates Z: 21 22.721 2.161 0.739 0.659 0.900 0.650 CA 1.296 21 residues pruned to eliminate duplicates Z: 70 39.959 2.120 0.667 0.544 0.942 0.594 CB 1.385 70 residues pruned to eliminate duplicates Z: 25 23.715 2.193 0.745 0.574 0.958 0.625 CA 1.229 25 residues pruned to eliminate duplicates Z: 82 41.639 2.091 0.654 0.574 0.951 0.605 CB 1.311 82 residues pruned to eliminate duplicates Z: 44 32.243 2.135 0.669 0.544 0.977 0.605 CA 1.354 44 residues pruned to eliminate duplicates Z: 79 44.384 2.103 0.699 0.567 0.936 0.628 CA 1.409 79 residues pruned to eliminate duplicates Z: 41 27.564 2.140 0.699 0.591 0.900 0.600 CB 1.221 41 residues pruned to eliminate duplicates Z: 70 41.092 2.080 0.774 0.572 0.928 0.580 CB 1.349 70 residues pruned to eliminate duplicates Z: 65 38.376 2.104 0.711 0.561 0.938 0.578 CB 1.339 65 residues pruned to eliminate duplicates Z: 32 19.140 2.001 0.725 0.503 0.903 0.613 CB 1.099 32 residues pruned to eliminate duplicates Z: 56 37.021 2.126 0.786 0.570 0.927 0.527 CB 1.325 56 residues pruned to eliminate duplicates Z: 33 26.166 2.104 0.893 0.547 0.844 0.500 CB 1.314 33 residues pruned to eliminate duplicates Z: 56 33.117 2.135 0.773 0.597 0.891 0.636 CB 1.208 56 residues pruned to eliminate duplicates Z: 36 40.736 2.237 0.927 0.667 0.943 0.686 CB 1.452 36 residues pruned to eliminate duplicates Z: 36 36.620 2.224 0.862 0.686 0.914 0.657 CB 1.379 36 residues pruned to eliminate duplicates Z: 33 39.895 2.255 0.982 0.693 0.906 0.594 CB 1.460 33 residues pruned to eliminate duplicates Z: 27 22.321 2.108 0.843 0.534 0.885 0.615 CB 1.232 27 residues pruned to eliminate duplicates Z: 27 22.779 2.100 0.756 0.532 0.923 0.500 CB 1.271 Z: 16 29.198 2.187 0.947 0.734 1.000 0.733 CB 1.435 18 residues pruned to eliminate duplicates Z: 16 27.401 2.145 0.682 0.875 1.000 0.733 CA 1.426 16 residues pruned to eliminate duplicates Z: 36 28.491 2.089 0.850 0.588 0.914 0.486 CB 1.253 61 residues pruned to eliminate duplicates Z: 25 22.450 2.090 0.734 0.568 0.958 0.375 CB 1.236 25 residues pruned to eliminate duplicates Z: 39 41.316 2.196 1.063 0.719 0.895 0.421 CB 1.356 39 residues pruned to eliminate duplicates Z: 34 26.596 2.108 0.908 0.549 0.848 0.394 CB 1.294 34 residues pruned to eliminate duplicates Z: 24 21.055 2.019 0.952 0.482 0.913 0.217 CB 1.243 24 residues pruned to eliminate duplicates Z: 67 50.522 2.175 0.893 0.597 0.939 0.515 CA 1.466 67 residues pruned to eliminate duplicates Z: 26 22.219 2.038 0.710 0.543 0.920 0.280 CB 1.328 Z: 13 26.868 2.083 1.250 0.906 1.000 0.583 CA 1.177 19 residues pruned to eliminate duplicates Z: 10 26.188 2.299 1.209 0.913 0.889 0.556 CB 1.368 10 residues pruned to eliminate duplicates Z: 32 28.632 2.138 0.812 0.595 0.935 0.419 CB 1.296 52 residues pruned to eliminate duplicates Z: 73 49.391 2.172 0.886 0.585 0.931 0.528 CB 1.407 73 residues pruned to eliminate duplicates Z: 28 28.962 2.190 0.884 0.603 0.926 0.704 CB 1.323 28 residues pruned to eliminate duplicates Z: 32 28.412 2.111 0.902 0.569 0.903 0.355 CB 1.316 32 residues pruned to eliminate duplicates Z: 37 28.586 2.079 1.060 0.553 0.861 0.444 CB 1.227 37 residues pruned to eliminate duplicates Z: 39 26.051 2.088 0.835 0.526 0.842 0.553 CB 1.277 39 residues pruned to eliminate duplicates Z: 33 25.958 2.046 0.869 0.527 0.844 0.406 CB 1.385 33 residues pruned to eliminate duplicates Z: 71 43.112 2.137 0.835 0.548 0.929 0.571 CB 1.351 71 residues pruned to eliminate duplicates Z: 16 10.176 1.752 0.606 0.264 0.933 0.400 CB 1.309 Z: 9 6.294 1.665 0.574 0.410 0.875 0.375 CA 1.066 9 residues pruned to eliminate duplicates Z: 13 6.934 1.662 0.406 0.873 0.833 0.583 CB 0.749 13 residues pruned to eliminate duplicates Z: 12 12.584 1.778 0.689 0.829 1.000 0.455 CB 0.950 12 residues pruned to eliminate duplicates Z: 12 11.893 1.755 0.734 0.836 1.000 0.545 CB 0.882 12 residues pruned to eliminate duplicates Z: 11 9.336 1.803 0.854 0.910 0.900 0.400 CB 0.696 11 residues pruned to eliminate duplicates Z: 11 12.441 1.805 0.811 0.922 1.000 0.400 CB 0.847 11 residues pruned to eliminate duplicates Z: 13 7.728 1.656 0.645 0.775 0.917 0.667 CB 0.701 13 residues pruned to eliminate duplicates Z: 12 11.387 1.787 0.812 0.824 0.909 0.455 CB 0.881 12 residues pruned to eliminate duplicates Z: 12 10.961 1.780 0.653 0.828 1.000 0.636 CB 0.846 12 residues pruned to eliminate duplicates Z: 12 12.170 1.789 0.734 0.832 1.000 0.727 CB 0.888 12 residues pruned to eliminate duplicates Z: 12 13.461 1.789 0.993 0.923 1.000 0.545 CB 0.800 14 residues pruned to eliminate duplicates Z: 14 11.007 1.640 0.861 0.935 1.000 0.615 CB 0.697 12 residues pruned to eliminate duplicates Z: 15 13.333 1.595 0.738 0.927 1.000 0.929 CB 0.900 15 residues pruned to eliminate duplicates Z: 6 6.049 1.680 0.349 0.793 0.800 0.400 CA 1.154 Z: 8 9.106 1.597 0.792 0.825 0.857 0.429 CB 1.059 6 residues pruned to eliminate duplicates Z: 8 8.853 1.609 0.695 0.844 0.857 0.571 CA 1.064 8 residues pruned to eliminate duplicates Z: 20 8.479 1.641 0.828 0.434 0.895 0.474 CB 0.776 36 residues pruned to eliminate duplicates Z: 7 6.074 1.672 -0.069 0.790 1.000 1.000 CB 1.235 7 residues pruned to eliminate duplicates Z: 16 9.830 1.455 0.418 0.559 0.933 0.667 CA 1.244 16 residues pruned to eliminate duplicates Z: 10 7.097 1.580 0.109 0.666 1.000 0.556 CB 1.158 10 residues pruned to eliminate duplicates Z: 16 8.173 1.570 0.139 0.561 0.933 0.733 CA 1.191 16 residues pruned to eliminate duplicates Z: 14 6.858 1.447 0.267 0.506 0.923 0.615 CB 1.118 14 residues pruned to eliminate duplicates Z: 15 13.240 1.693 0.457 0.757 0.857 0.643 CA 1.331 15 residues pruned to eliminate duplicates Z: 16 10.396 1.619 0.419 0.722 0.800 0.600 CB 1.195 16 residues pruned to eliminate duplicates Z: 22 13.559 1.663 0.530 0.651 0.905 0.762 CB 1.117 22 residues pruned to eliminate duplicates Z: 15 13.048 1.648 0.522 0.757 0.857 0.571 CB 1.290 15 residues pruned to eliminate duplicates Z: 31 12.869 1.602 0.449 0.573 0.867 0.567 CB 1.088 31 residues pruned to eliminate duplicates Z: 21 14.662 1.618 0.733 0.685 0.900 0.350 CB 1.097 21 residues pruned to eliminate duplicates Z: 22 10.551 1.583 0.478 0.647 0.714 0.286 CB 1.202 22 residues pruned to eliminate duplicates Z: 21 11.782 1.575 0.561 0.714 0.900 0.250 CB 0.981 21 residues pruned to eliminate duplicates Z: 49 17.200 1.623 0.597 0.550 0.896 0.396 CB 1.018 49 residues pruned to eliminate duplicates Z: 31 12.735 1.620 0.442 0.557 0.833 0.433 CB 1.130 31 residues pruned to eliminate duplicates Z: 7 5.676 1.506 0.809 0.493 1.000 0.667 CB 0.857 7 residues pruned to eliminate duplicates Z: 20 12.737 1.642 0.426 0.690 0.895 0.632 CB 1.172 20 residues pruned to eliminate duplicates Z: 7 4.388 1.619 0.170 0.373 1.000 0.333 CB 1.083 7 residues pruned to eliminate duplicates Z: 7 3.330 1.618 0.207 0.416 1.000 0.667 CB 0.761 7 residues pruned to eliminate duplicates Z: 7 6.834 1.777 0.358 0.463 1.000 0.667 CB 1.201 7 residues pruned to eliminate duplicates Z: 10 6.089 1.513 0.361 0.402 1.000 0.667 CB 1.093 10 residues pruned to eliminate duplicates 530 residues left after pruning, divided into chains as follows: A: 14 B: 6 C: 6 D: 55 E: 6 F: 55 G: 11 H: 12 I: 180 J: 21 K: 12 L: 15 M: 137 CC for partial structure against native data = 36.62 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.430, Connect. = 0.698 for dens.mod. cycle 1 = 0.300, Contrast = 0.498, Connect. = 0.721 for dens.mod. cycle 2 = 0.300, Contrast = 0.594, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.596, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.605, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.606, Connect. = 0.759 for dens.mod. cycle 6 = 0.300, Contrast = 0.610, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.612, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.614, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.615, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4071 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 760 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 35.988 2.325 1.103 0.918 0.917 0.667 CA 1.635 B: 13 32.988 2.273 0.757 0.929 1.000 0.667 CA 1.669 13 residues pruned to eliminate duplicates C: 19 13.804 2.075 0.410 0.450 0.889 0.778 CB 1.317 D: 10 16.506 2.205 0.624 0.653 1.000 1.000 CA 1.333 E: 14 23.750 2.186 0.618 0.919 0.846 0.692 CB 1.551 14 residues pruned to eliminate duplicates F: 18 17.039 2.008 0.414 0.841 0.882 0.647 CB 1.230 G: 20 34.293 2.216 0.683 0.922 1.000 0.842 CA 1.483 H: 12 39.808 2.412 1.039 0.932 1.000 0.636 CA 1.704 13 residues pruned to eliminate duplicates I: 24 14.759 1.934 0.606 0.383 0.826 0.652 CA 1.358 18 residues pruned to eliminate duplicates J: 13 31.917 2.297 0.957 0.906 0.917 0.667 CA 1.590 13 residues pruned to eliminate duplicates K: 15 22.173 2.137 0.650 0.631 1.000 0.786 CB 1.485 18 residues pruned to eliminate duplicates L: 21 27.421 2.145 0.602 0.863 0.900 0.750 CA 1.454 21 residues pruned to eliminate duplicates M: 12 40.254 2.364 1.076 0.914 1.000 0.818 CA 1.750 12 residues pruned to eliminate duplicates N: 19 20.594 1.853 0.580 0.888 1.000 0.889 CA 1.194 18 residues pruned to eliminate duplicates O: 21 24.620 2.143 0.749 0.497 0.900 0.550 CA 1.637 13 residues pruned to eliminate duplicates P: 20 19.826 2.050 0.668 0.430 0.947 0.474 CA 1.511 10 residues pruned to eliminate duplicates Q: 19 15.718 1.959 0.382 0.534 0.833 0.667 CB 1.588 19 residues pruned to eliminate duplicates R: 19 42.489 2.238 1.068 0.911 0.944 0.389 CB 1.624 19 residues pruned to eliminate duplicates S: 12 13.045 1.995 0.617 0.876 0.909 0.909 CB 0.975 T: 22 36.781 2.074 0.906 0.893 1.000 0.667 CA 1.458 21 residues pruned to eliminate duplicates U: 16 33.232 2.248 0.845 0.937 1.000 1.000 CB 1.439 19 residues pruned to eliminate duplicates V: 30 27.918 2.070 0.478 0.686 0.966 0.759 CA 1.479 W: 13 28.993 2.272 0.656 0.932 0.917 0.500 CB 1.694 13 residues pruned to eliminate duplicates X: 21 34.983 2.124 0.842 0.903 0.950 0.650 CA 1.500 21 residues pruned to eliminate duplicates Y: 30 20.704 1.831 0.687 0.585 0.897 0.655 CB 1.280 Z: 16 13.368 1.866 0.558 0.493 0.867 0.667 CA 1.380 16 residues pruned to eliminate duplicates Z: 15 19.859 2.006 1.077 0.911 1.000 0.643 CB 0.902 12 residues pruned to eliminate duplicates Z: 13 10.888 1.958 0.534 0.488 0.750 0.500 CB 1.413 Z: 15 10.008 1.939 0.280 0.921 1.000 0.929 CB 0.758 15 residues pruned to eliminate duplicates Z: 7 5.777 1.693 0.216 0.715 1.000 0.500 CB 0.943 Z: 38 16.626 1.996 0.415 0.436 0.838 0.541 CB 1.235 7 residues pruned to eliminate duplicates Z: 20 17.892 2.068 0.752 0.446 0.947 0.684 CA 1.264 20 residues pruned to eliminate duplicates Z: 13 24.060 2.239 0.645 0.936 0.917 0.833 CA 1.433 13 residues pruned to eliminate duplicates Z: 13 19.616 2.006 0.739 0.813 0.917 0.333 CA 1.349 13 residues pruned to eliminate duplicates Z: 15 19.325 1.993 0.875 0.942 1.000 0.857 CB 0.958 15 residues pruned to eliminate duplicates Z: 26 28.432 2.091 0.753 0.604 0.960 0.600 CA 1.463 20 residues pruned to eliminate duplicates Z: 12 17.673 1.944 0.531 0.895 1.000 0.818 CA 1.283 Z: 15 11.220 1.910 0.794 0.291 0.857 0.286 CB 1.291 8 residues pruned to eliminate duplicates Z: 18 28.157 1.943 0.811 0.917 0.941 0.471 CA 1.455 18 residues pruned to eliminate duplicates Z: 20 17.444 2.006 0.496 0.535 0.947 0.842 CB 1.360 20 residues pruned to eliminate duplicates Z: 19 33.233 2.115 0.877 0.926 0.889 0.556 CA 1.557 19 residues pruned to eliminate duplicates Z: 12 27.517 2.264 0.943 0.932 1.000 1.000 CA 1.317 Z: 62 47.247 2.104 0.873 0.680 0.885 0.689 CB 1.469 44 residues pruned to eliminate duplicates Z: 95 36.259 1.972 0.548 0.520 0.915 0.553 CB 1.313 42 residues pruned to eliminate duplicates Z: 20 37.432 2.236 0.870 0.928 0.947 0.632 CA 1.518 20 residues pruned to eliminate duplicates Z: 13 31.733 2.352 0.922 0.921 0.917 0.583 CA 1.556 13 residues pruned to eliminate duplicates Z: 20 28.815 2.030 0.752 0.914 0.947 0.737 CA 1.389 20 residues pruned to eliminate duplicates Z: 12 15.991 1.834 0.733 0.892 1.000 0.909 CA 1.089 12 residues pruned to eliminate duplicates Z: 19 36.498 2.278 0.745 0.902 1.000 0.833 CA 1.544 19 residues pruned to eliminate duplicates Z: 38 16.570 1.993 0.353 0.414 0.892 0.568 CB 1.240 38 residues pruned to eliminate duplicates Z: 6 14.605 1.896 0.825 0.758 1.000 0.800 CA 1.500 7 residues pruned to eliminate duplicates Z: 13 31.602 2.230 1.168 0.918 1.000 0.500 CB 1.330 12 residues pruned to eliminate duplicates Z: 47 17.691 1.970 0.412 0.387 0.826 0.522 CB 1.280 47 residues pruned to eliminate duplicates Z: 9 14.619 2.020 0.329 0.874 1.000 0.750 CA 1.402 10 residues pruned to eliminate duplicates Z: 12 15.254 1.864 0.776 0.869 1.000 0.909 CA 1.015 12 residues pruned to eliminate duplicates Z: 79 37.173 2.038 0.621 0.544 0.885 0.577 CB 1.379 42 residues pruned to eliminate duplicates Z: 12 21.027 1.849 1.075 0.882 1.000 0.545 CB 1.196 12 residues pruned to eliminate duplicates Z: 16 22.193 2.025 1.056 0.942 1.000 0.733 CB 0.954 15 residues pruned to eliminate duplicates Z: 11 16.170 1.997 0.756 0.916 1.000 0.900 CA 1.029 11 residues pruned to eliminate duplicates Z: 19 30.218 2.008 0.909 0.923 0.889 0.444 CA 1.469 22 residues pruned to eliminate duplicates Z: 7 4.165 1.690 0.588 0.231 0.667 0.667 CB 1.299 Z: 8 11.504 1.933 0.427 0.815 0.857 0.571 CA 1.399 8 residues pruned to eliminate duplicates Z: 19 29.569 2.111 0.858 0.884 0.889 0.611 CA 1.444 19 residues pruned to eliminate duplicates Z: 12 15.032 1.970 0.798 0.918 1.000 0.909 CB 0.902 Z: 79 37.094 2.027 0.589 0.518 0.897 0.538 CB 1.426 79 residues pruned to eliminate duplicates Z: 12 46.023 2.413 1.260 0.945 1.000 0.455 CA 1.760 12 residues pruned to eliminate duplicates Z: 13 26.166 2.193 0.971 0.915 0.917 0.583 CA 1.347 13 residues pruned to eliminate duplicates Z: 20 28.245 2.021 0.706 0.888 1.000 0.842 CA 1.355 20 residues pruned to eliminate duplicates Z: 44 23.072 1.998 0.599 0.412 0.860 0.512 CB 1.403 44 residues pruned to eliminate duplicates Z: 19 23.963 2.093 0.460 0.907 0.944 0.778 CA 1.391 19 residues pruned to eliminate duplicates Z: 11 9.130 2.082 0.246 0.392 0.800 0.600 CA 1.559 11 residues pruned to eliminate duplicates Z: 12 16.041 1.938 0.616 0.883 0.909 0.727 CA 1.228 12 residues pruned to eliminate duplicates Z: 14 27.496 2.135 1.087 0.915 0.923 0.385 CA 1.311 14 residues pruned to eliminate duplicates Z: 19 33.449 2.143 0.720 0.928 1.000 0.500 CA 1.497 19 residues pruned to eliminate duplicates Z: 17 11.922 1.802 0.613 0.556 0.812 0.562 CA 1.195 17 residues pruned to eliminate duplicates Z: 52 40.837 2.013 0.815 0.734 0.902 0.588 CB 1.406 53 residues pruned to eliminate duplicates Z: 6 6.091 1.836 0.682 0.485 0.800 0.800 CB 1.120 6 residues pruned to eliminate duplicates Z: 19 19.209 1.976 0.699 0.601 0.833 0.611 CB 1.470 19 residues pruned to eliminate duplicates Z: 37 21.926 2.003 0.637 0.463 0.889 0.611 CB 1.301 38 residues pruned to eliminate duplicates Z: 37 18.840 2.048 0.416 0.386 0.889 0.639 CB 1.375 37 residues pruned to eliminate duplicates Z: 13 17.625 1.819 0.654 0.892 1.000 0.833 CA 1.215 13 residues pruned to eliminate duplicates Z: 18 23.767 2.073 1.066 0.844 0.882 0.529 CB 1.135 18 residues pruned to eliminate duplicates Z: 13 30.641 2.354 0.922 0.901 0.917 0.750 CA 1.523 13 residues pruned to eliminate duplicates Z: 26 16.751 1.917 0.784 0.384 0.840 0.440 CB 1.319 13 residues pruned to eliminate duplicates Z: 19 21.986 1.761 0.576 0.886 1.000 0.833 CB 1.348 19 residues pruned to eliminate duplicates Z: 13 21.814 2.124 0.683 0.871 1.000 0.917 CA 1.285 14 residues pruned to eliminate duplicates Z: 19 36.646 2.305 0.768 0.899 0.944 0.667 CA 1.604 19 residues pruned to eliminate duplicates Z: 11 17.500 1.950 0.762 0.673 0.900 0.600 CB 1.526 11 residues pruned to eliminate duplicates Z: 12 36.397 2.246 1.308 0.928 1.000 0.818 CA 1.483 12 residues pruned to eliminate duplicates Z: 12 23.032 2.069 1.281 0.912 1.000 0.909 CB 1.042 12 residues pruned to eliminate duplicates Z: 102 45.531 2.110 0.635 0.473 0.921 0.535 CB 1.467 107 residues pruned to eliminate duplicates Z: 11 10.607 2.030 0.396 0.867 0.900 0.600 CB 0.962 11 residues pruned to eliminate duplicates Z: 13 18.350 1.966 0.782 0.888 1.000 0.917 CA 1.089 10 residues pruned to eliminate duplicates Z: 12 23.910 2.233 0.747 0.906 1.000 1.000 CA 1.315 12 residues pruned to eliminate duplicates Z: 20 34.523 2.199 0.712 0.880 1.000 0.632 CA 1.525 20 residues pruned to eliminate duplicates Z: 10 17.160 2.092 0.923 0.914 1.000 0.778 CB 1.006 10 residues pruned to eliminate duplicates Z: 19 23.604 1.990 0.778 0.865 1.000 0.778 CB 1.152 19 residues pruned to eliminate duplicates Z: 14 16.033 2.015 0.453 0.907 1.000 0.923 CB 1.079 14 residues pruned to eliminate duplicates Z: 10 14.930 2.028 0.798 0.891 0.889 0.333 CA 1.104 10 residues pruned to eliminate duplicates Z: 11 9.418 1.925 0.391 0.369 0.900 0.600 CB 1.423 11 residues pruned to eliminate duplicates Z: 8 2.962 1.961 -0.355 0.920 1.000 1.000 CB 0.623 8 residues pruned to eliminate duplicates Z: 17 20.027 2.126 0.669 0.596 0.938 0.688 CA 1.373 17 residues pruned to eliminate duplicates Z: 13 13.502 1.999 0.195 0.891 1.000 0.833 CB 1.174 13 residues pruned to eliminate duplicates Z: 17 24.081 1.879 0.758 0.885 1.000 0.812 CB 1.316 17 residues pruned to eliminate duplicates Z: 12 21.023 2.064 0.769 0.936 1.000 0.909 CB 1.210 12 residues pruned to eliminate duplicates Z: 13 19.487 1.800 0.847 0.890 1.000 0.833 CA 1.217 13 residues pruned to eliminate duplicates Z: 72 29.848 1.853 0.485 0.564 0.873 0.563 CB 1.386 38 residues pruned to eliminate duplicates Z: 12 31.155 2.336 0.808 0.919 1.000 0.727 CA 1.566 12 residues pruned to eliminate duplicates Z: 12 14.379 1.910 0.293 0.908 1.000 0.909 CA 1.247 12 residues pruned to eliminate duplicates Z: 7 8.106 1.996 0.450 0.825 0.833 0.667 CB 1.035 7 residues pruned to eliminate duplicates Z: 10 14.548 2.064 0.576 0.837 1.000 0.778 CA 1.115 10 residues pruned to eliminate duplicates Z: 12 16.148 1.835 0.695 0.872 1.000 0.727 CA 1.141 12 residues pruned to eliminate duplicates Z: 12 28.900 2.259 1.039 0.920 0.818 0.636 CB 1.628 12 residues pruned to eliminate duplicates Z: 62 31.162 1.845 0.568 0.587 0.934 0.623 CB 1.358 62 residues pruned to eliminate duplicates Z: 16 19.842 2.046 0.821 0.934 1.000 0.733 CB 0.959 16 residues pruned to eliminate duplicates Z: 22 11.289 1.893 0.381 0.343 0.714 0.571 CB 1.566 22 residues pruned to eliminate duplicates Z: 15 22.180 1.882 0.850 0.922 1.000 1.000 CA 1.197 16 residues pruned to eliminate duplicates Z: 20 28.502 1.979 0.907 0.898 0.895 0.526 CB 1.384 20 residues pruned to eliminate duplicates Z: 12 26.207 2.237 1.067 0.931 1.000 0.909 CA 1.194 12 residues pruned to eliminate duplicates Z: 10 15.429 2.073 0.972 0.906 1.000 0.556 CB 0.894 10 residues pruned to eliminate duplicates Z: 18 22.731 2.064 0.965 0.841 0.882 0.706 CB 1.150 18 residues pruned to eliminate duplicates Z: 12 20.656 1.889 1.069 0.827 0.909 0.636 CA 1.321 12 residues pruned to eliminate duplicates Z: 6 7.373 1.677 0.713 0.734 0.800 0.600 CA 1.162 6 residues pruned to eliminate duplicates Z: 56 30.939 2.130 0.726 0.496 0.855 0.473 CB 1.333 56 residues pruned to eliminate duplicates Z: 12 17.142 1.815 0.568 0.926 1.000 0.818 CA 1.274 12 residues pruned to eliminate duplicates Z: 11 17.284 2.058 0.566 0.911 1.000 0.700 CB 1.202 11 residues pruned to eliminate duplicates Z: 19 24.506 2.122 0.368 0.941 1.000 0.889 CA 1.381 19 residues pruned to eliminate duplicates Z: 20 35.230 2.235 0.707 0.877 0.947 0.737 CA 1.624 20 residues pruned to eliminate duplicates Z: 7 6.096 1.986 0.590 0.299 0.833 0.667 CA 1.183 7 residues pruned to eliminate duplicates Z: 13 23.131 2.125 0.679 0.919 1.000 0.833 CA 1.319 13 residues pruned to eliminate duplicates Z: 19 22.797 2.218 0.208 0.885 1.000 0.722 CA 1.448 19 residues pruned to eliminate duplicates Z: 11 22.430 2.028 0.916 0.910 0.900 0.400 CA 1.439 11 residues pruned to eliminate duplicates Z: 8 15.253 1.938 0.529 0.791 1.000 0.286 CB 1.507 8 residues pruned to eliminate duplicates Z: 18 20.012 1.939 0.614 0.627 0.941 0.529 CA 1.462 18 residues pruned to eliminate duplicates Z: 19 20.013 2.038 0.525 0.589 0.944 0.722 CA 1.476 19 residues pruned to eliminate duplicates Z: 21 17.317 1.920 0.705 0.483 0.900 0.600 CA 1.337 Z: 7 12.774 2.017 0.666 0.758 0.833 0.500 CB 1.480 7 residues pruned to eliminate duplicates Z: 19 25.346 2.092 0.474 0.912 0.944 0.944 CA 1.453 19 residues pruned to eliminate duplicates Z: 8 6.253 1.678 0.089 0.777 1.000 0.857 CB 1.013 Z: 16 10.375 1.562 0.317 0.766 0.867 0.600 CB 1.188 8 residues pruned to eliminate duplicates Z: 19 27.563 2.218 0.714 0.879 0.944 0.722 CA 1.312 19 residues pruned to eliminate duplicates Z: 8 11.423 1.779 0.687 0.764 0.857 0.571 CA 1.328 8 residues pruned to eliminate duplicates Z: 12 19.058 1.895 0.862 0.880 1.000 0.545 CA 1.180 12 residues pruned to eliminate duplicates Z: 10 9.185 1.655 0.497 0.739 0.889 0.667 CB 1.123 10 residues pruned to eliminate duplicates Z: 12 21.180 2.263 0.538 0.918 1.000 0.909 CA 1.294 12 residues pruned to eliminate duplicates Z: 9 16.674 2.102 1.127 0.618 1.000 1.000 CB 1.179 9 residues pruned to eliminate duplicates Z: 25 17.207 1.817 0.590 0.486 0.917 0.583 CB 1.345 25 residues pruned to eliminate duplicates Z: 18 15.598 1.988 0.484 0.400 0.941 0.471 CB 1.512 18 residues pruned to eliminate duplicates Z: 17 21.747 2.047 0.755 0.657 1.000 0.562 CA 1.308 17 residues pruned to eliminate duplicates Z: 25 18.589 1.991 0.701 0.516 0.792 0.375 CB 1.393 25 residues pruned to eliminate duplicates Z: 24 13.339 1.834 0.566 0.423 0.783 0.609 CB 1.341 24 residues pruned to eliminate duplicates Z: 16 33.966 2.187 0.980 0.943 1.000 1.000 CB 1.403 16 residues pruned to eliminate duplicates Z: 12 17.122 1.992 0.565 0.919 1.000 0.727 CB 1.167 12 residues pruned to eliminate duplicates Z: 8 12.271 1.893 0.547 0.738 1.000 0.714 CA 1.280 8 residues pruned to eliminate duplicates Z: 24 9.544 1.799 0.200 0.331 0.783 0.565 CA 1.417 24 residues pruned to eliminate duplicates Z: 19 30.835 2.149 0.699 0.930 0.944 0.889 CA 1.474 19 residues pruned to eliminate duplicates Z: 13 19.741 1.836 0.788 0.888 1.000 0.750 CA 1.250 13 residues pruned to eliminate duplicates Z: 16 13.685 1.819 0.297 0.880 0.933 0.600 CA 1.162 16 residues pruned to eliminate duplicates Z: 22 25.783 2.116 0.711 0.751 0.905 0.667 CA 1.372 22 residues pruned to eliminate duplicates Z: 8 6.594 1.858 0.101 0.754 0.857 0.571 CB 1.133 8 residues pruned to eliminate duplicates Z: 9 10.389 1.731 0.637 0.706 0.875 0.625 N 1.229 9 residues pruned to eliminate duplicates Z: 7 7.485 1.652 1.131 0.418 0.667 0.667 C 1.418 7 residues pruned to eliminate duplicates Z: 18 21.550 1.815 0.692 0.870 1.000 0.824 CB 1.242 18 residues pruned to eliminate duplicates Z: 12 15.025 1.860 0.824 0.558 0.909 0.727 N 1.388 12 residues pruned to eliminate duplicates Z: 8 5.010 1.830 0.470 0.408 0.857 0.429 CB 0.904 8 residues pruned to eliminate duplicates Z: 7 4.932 1.484 0.404 0.655 0.833 0.500 CA 1.004 Z: 57 34.182 1.877 0.653 0.647 0.964 0.589 CB 1.331 64 residues pruned to eliminate duplicates Z: 7 7.536 1.689 0.316 0.597 1.000 0.500 N 1.262 Z: 6 5.894 1.813 0.418 0.429 0.800 0.600 CA 1.380 Z: 12 29.516 2.347 0.846 0.918 1.000 0.636 CA 1.448 12 residues pruned to eliminate duplicates Z: 18 18.420 1.762 0.662 0.853 1.000 0.706 CB 1.128 18 residues pruned to eliminate duplicates Z: 40 33.372 2.043 0.597 0.694 0.923 0.692 CA 1.486 40 residues pruned to eliminate duplicates Z: 29 21.184 1.962 0.625 0.499 0.893 0.536 CB 1.408 33 residues pruned to eliminate duplicates Z: 20 30.587 2.037 0.738 0.890 0.947 0.895 CA 1.506 20 residues pruned to eliminate duplicates Z: 12 19.575 1.900 0.908 0.850 0.909 0.455 CA 1.327 12 residues pruned to eliminate duplicates Z: 12 17.961 1.980 0.724 0.929 1.000 0.909 CB 1.111 12 residues pruned to eliminate duplicates Z: 19 18.741 2.058 0.745 0.519 0.889 0.833 CB 1.359 21 residues pruned to eliminate duplicates Z: 57 26.200 1.811 0.571 0.576 0.875 0.625 CA 1.307 57 residues pruned to eliminate duplicates Z: 6 4.168 1.570 0.629 0.399 0.800 0.400 CB 1.014 6 residues pruned to eliminate duplicates Z: 22 16.465 2.071 0.342 0.639 0.905 0.714 CB 1.255 36 residues pruned to eliminate duplicates Z: 18 17.276 1.787 0.344 0.881 1.000 0.941 CA 1.264 18 residues pruned to eliminate duplicates Z: 10 13.496 1.819 0.892 0.595 0.889 0.556 CA 1.343 9 residues pruned to eliminate duplicates Z: 18 15.039 1.764 0.319 0.847 1.000 0.765 CA 1.164 18 residues pruned to eliminate duplicates Z: 9 2.977 1.497 0.220 0.420 1.000 0.625 CB 0.627 Z: 13 17.754 1.993 0.503 0.913 1.000 0.833 CB 1.211 13 residues pruned to eliminate duplicates Z: 24 17.432 1.941 0.637 0.473 0.913 0.522 CB 1.287 26 residues pruned to eliminate duplicates Z: 14 11.808 1.966 0.459 0.554 0.846 0.846 CA 1.281 14 residues pruned to eliminate duplicates Z: 38 15.857 1.992 0.388 0.342 0.865 0.541 CB 1.296 38 residues pruned to eliminate duplicates Z: 11 13.165 1.748 0.636 0.669 0.900 0.900 CA 1.384 7 residues pruned to eliminate duplicates Z: 6 12.119 2.011 0.552 0.866 1.000 0.800 CB 1.271 6 residues pruned to eliminate duplicates Z: 26 16.592 2.015 0.559 0.563 0.880 0.560 CB 1.130 26 residues pruned to eliminate duplicates Z: 11 9.386 1.696 0.281 0.700 0.900 0.700 CA 1.265 Z: 16 22.268 1.871 0.573 0.906 1.000 0.867 CB 1.390 16 residues pruned to eliminate duplicates Z: 12 9.461 1.618 0.407 0.652 0.909 0.636 CA 1.197 12 residues pruned to eliminate duplicates Z: 45 24.218 1.843 0.670 0.548 0.886 0.636 CB 1.277 45 residues pruned to eliminate duplicates Z: 6 6.353 1.689 0.131 0.666 1.000 1.000 N 1.275 Z: 11 12.693 1.629 0.895 0.701 1.000 0.700 CB 1.083 Z: 12 20.162 2.059 1.036 0.918 1.000 0.545 CB 1.023 Z: 16 18.001 1.953 0.613 0.663 0.933 0.600 CA 1.359 16 residues pruned to eliminate duplicates Z: 6 3.613 1.748 -0.277 0.709 1.000 1.000 CB 1.058 Z: 17 14.990 1.827 0.454 0.865 0.938 0.750 CA 1.102 17 residues pruned to eliminate duplicates Z: 8 4.064 1.626 0.298 0.268 0.714 0.286 CB 1.327 8 residues pruned to eliminate duplicates Z: 22 17.088 2.049 0.516 0.441 0.905 0.571 CA 1.410 22 residues pruned to eliminate duplicates Z: 84 35.467 2.085 0.581 0.468 0.904 0.566 CB 1.350 84 residues pruned to eliminate duplicates Z: 50 23.328 1.803 0.555 0.542 0.918 0.531 CB 1.242 50 residues pruned to eliminate duplicates Z: 16 15.382 1.663 0.422 0.875 1.000 0.933 CB 1.221 16 residues pruned to eliminate duplicates Z: 11 10.723 1.914 0.428 0.901 0.900 0.900 CA 0.984 11 residues pruned to eliminate duplicates Z: 7 5.351 1.691 0.662 0.673 0.833 0.500 CB 0.795 Z: 8 11.239 1.613 0.672 0.875 1.000 0.714 CA 1.145 8 residues pruned to eliminate duplicates Z: 36 16.094 1.866 0.328 0.544 0.943 0.571 CB 1.115 36 residues pruned to eliminate duplicates Z: 29 14.958 2.061 0.409 0.415 0.786 0.500 CB 1.354 29 residues pruned to eliminate duplicates Z: 9 7.510 1.597 0.613 0.480 0.875 0.375 CB 1.202 Z: 8 8.499 1.637 0.499 0.783 1.000 0.857 CB 1.021 Z: 13 18.256 1.849 0.868 0.915 0.917 0.833 CB 1.177 13 residues pruned to eliminate duplicates Z: 11 5.616 1.521 0.353 0.438 0.800 0.600 O 1.150 Z: 18 22.232 1.812 0.637 0.899 1.000 0.882 CB 1.299 18 residues pruned to eliminate duplicates Z: 26 17.742 1.907 0.629 0.599 0.880 0.680 CB 1.181 24 residues pruned to eliminate duplicates Z: 12 10.684 2.013 0.018 0.937 1.000 1.000 CB 1.093 12 residues pruned to eliminate duplicates Z: 8 6.940 1.696 0.879 0.620 0.714 0.714 CA 1.029 Z: 6 8.918 1.798 0.671 0.645 0.800 0.800 CA 1.449 Z: 19 34.913 2.225 0.792 0.872 0.944 0.722 CB 1.593 19 residues pruned to eliminate duplicates Z: 40 20.333 1.928 0.568 0.537 0.846 0.590 CB 1.228 26 residues pruned to eliminate duplicates Z: 11 18.226 1.854 0.953 0.724 1.000 0.300 N 1.300 11 residues pruned to eliminate duplicates Z: 14 19.328 2.084 0.957 0.915 0.923 0.385 CB 1.006 14 residues pruned to eliminate duplicates Z: 7 4.141 1.555 0.045 0.679 1.000 0.667 CA 0.883 7 residues pruned to eliminate duplicates Z: 19 25.396 2.006 0.978 0.863 0.944 0.556 CB 1.172 19 residues pruned to eliminate duplicates Z: 19 33.018 2.115 0.858 0.909 0.944 0.556 CA 1.488 19 residues pruned to eliminate duplicates Z: 6 4.534 2.120 -0.094 0.588 0.800 0.800 CB 1.213 Z: 15 10.939 1.662 0.513 0.886 1.000 0.786 CB 0.839 Z: 8 12.174 1.846 0.513 0.879 1.000 0.714 CA 1.195 8 residues pruned to eliminate duplicates Z: 22 10.443 1.909 0.405 0.376 0.762 0.524 CA 1.274 22 residues pruned to eliminate duplicates Z: 16 9.385 1.809 0.710 0.408 0.733 0.333 CB 1.176 16 residues pruned to eliminate duplicates Z: 6 4.827 1.476 0.313 0.807 0.800 0.800 O 1.064 6 residues pruned to eliminate duplicates Z: 11 15.470 1.920 0.526 0.922 1.000 1.000 CB 1.175 10 residues pruned to eliminate duplicates Z: 22 16.357 1.901 0.506 0.498 0.905 0.667 CA 1.380 23 residues pruned to eliminate duplicates Z: 7 14.577 2.063 0.746 0.616 0.833 0.833 CA 1.776 Z: 9 5.608 2.187 -0.486 0.919 1.000 1.000 CA 1.243 9 residues pruned to eliminate duplicates Z: 42 19.717 1.984 0.535 0.431 0.780 0.488 CB 1.391 42 residues pruned to eliminate duplicates Z: 19 12.494 2.033 0.519 0.421 0.833 0.444 CB 1.242 18 residues pruned to eliminate duplicates Z: 97 38.557 1.987 0.617 0.483 0.906 0.500 CA 1.375 86 residues pruned to eliminate duplicates Z: 21 31.537 2.147 0.948 0.788 0.950 0.500 CB 1.378 21 residues pruned to eliminate duplicates Z: 9 6.862 1.579 0.372 0.815 1.000 0.625 CA 0.852 9 residues pruned to eliminate duplicates Z: 12 19.544 1.889 1.041 0.897 0.818 0.636 CA 1.337 12 residues pruned to eliminate duplicates Z: 10 9.264 1.845 0.251 0.825 0.889 0.556 CA 1.135 10 residues pruned to eliminate duplicates Z: 16 13.437 1.806 0.206 0.868 1.000 0.600 CA 1.165 16 residues pruned to eliminate duplicates Z: 26 19.869 1.947 0.599 0.532 0.960 0.560 CB 1.288 21 residues pruned to eliminate duplicates Z: 8 9.024 1.684 0.257 0.747 1.000 0.571 CB 1.292 8 residues pruned to eliminate duplicates Z: 15 25.078 2.096 1.100 0.930 1.000 0.571 CB 1.065 15 residues pruned to eliminate duplicates Z: 6 5.126 1.665 0.285 0.510 0.800 0.800 CA 1.326 13 residues pruned to eliminate duplicates Z: 15 12.132 1.653 0.622 0.893 1.000 0.714 CB 0.868 15 residues pruned to eliminate duplicates Z: 7 8.149 1.750 0.454 0.673 0.833 0.833 CA 1.338 6 residues pruned to eliminate duplicates Z: 13 2.639 1.659 0.038 0.342 0.750 0.333 CA 0.700 13 residues pruned to eliminate duplicates Z: 21 15.393 1.932 0.538 0.638 0.800 0.600 CB 1.272 21 residues pruned to eliminate duplicates Z: 12 18.693 1.867 0.949 0.893 1.000 0.818 CA 1.112 12 residues pruned to eliminate duplicates Z: 16 17.057 2.035 0.650 0.529 0.867 0.800 CB 1.471 16 residues pruned to eliminate duplicates Z: 75 36.715 2.130 0.627 0.478 0.892 0.500 CA 1.412 75 residues pruned to eliminate duplicates Z: 21 18.018 2.041 0.592 0.645 0.850 0.450 CB 1.274 21 residues pruned to eliminate duplicates Z: 22 21.556 1.929 0.751 0.627 0.952 0.619 CA 1.298 22 residues pruned to eliminate duplicates Z: 43 26.409 1.967 0.722 0.447 0.905 0.643 CB 1.405 43 residues pruned to eliminate duplicates Z: 17 27.605 1.995 0.676 0.896 1.000 0.750 CA 1.479 17 residues pruned to eliminate duplicates Z: 13 11.361 1.785 0.469 0.643 0.917 0.833 CB 1.194 12 residues pruned to eliminate duplicates Z: 15 5.141 1.770 0.216 0.452 0.857 0.714 CB 0.782 6 residues pruned to eliminate duplicates Z: 15 24.882 1.920 1.035 0.913 1.000 0.571 CB 1.205 13 residues pruned to eliminate duplicates Z: 6 2.934 1.378 0.433 0.490 0.800 0.600 CB 0.839 Z: 26 17.736 1.870 0.619 0.638 0.960 0.640 CB 1.072 26 residues pruned to eliminate duplicates Z: 18 9.904 1.837 0.316 0.424 0.824 0.471 CA 1.305 18 residues pruned to eliminate duplicates Z: 6 2.709 1.603 0.042 0.671 0.800 0.800 CB 0.774 Z: 8 9.101 1.570 0.680 0.869 1.000 0.857 CB 0.953 Z: 12 18.210 1.853 0.938 0.896 0.909 0.909 CA 1.205 12 residues pruned to eliminate duplicates Z: 45 29.944 2.043 0.671 0.573 0.909 0.591 CB 1.356 45 residues pruned to eliminate duplicates Z: 17 10.123 1.492 0.809 0.898 0.938 0.562 CB 0.716 Z: 6 2.226 1.433 -0.051 0.340 1.000 0.400 CA 0.872 Z: 39 34.684 2.083 0.554 0.728 0.974 0.711 CA 1.454 39 residues pruned to eliminate duplicates Z: 17 12.900 1.825 0.263 0.863 1.000 0.562 CA 1.027 17 residues pruned to eliminate duplicates Z: 35 20.439 1.850 0.538 0.550 0.853 0.618 CA 1.375 33 residues pruned to eliminate duplicates Z: 35 18.841 2.021 0.569 0.396 0.882 0.529 CB 1.288 35 residues pruned to eliminate duplicates Z: 26 16.829 1.856 0.640 0.513 0.880 0.560 CB 1.241 26 residues pruned to eliminate duplicates Z: 22 15.526 1.985 0.350 0.464 0.905 0.524 CA 1.450 22 residues pruned to eliminate duplicates Z: 20 29.744 2.176 0.655 0.902 0.947 0.842 CA 1.426 20 residues pruned to eliminate duplicates Z: 13 10.435 1.650 0.446 0.690 0.917 0.750 CA 1.157 12 residues pruned to eliminate duplicates Z: 10 7.748 1.659 0.778 0.521 0.778 0.667 CB 1.103 10 residues pruned to eliminate duplicates Z: 6 3.227 1.673 -0.355 0.740 1.000 0.800 CB 1.079 6 residues pruned to eliminate duplicates Z: 7 8.195 1.525 0.565 0.891 1.000 0.833 CB 1.007 7 residues pruned to eliminate duplicates Z: 25 10.187 1.771 0.501 0.372 0.792 0.542 CB 1.133 15 residues pruned to eliminate duplicates Z: 13 7.983 1.658 0.348 0.588 0.833 0.667 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 8.981 1.661 0.265 0.634 0.909 0.727 CA 1.251 12 residues pruned to eliminate duplicates Z: 12 18.674 1.974 0.598 0.910 1.000 0.818 CB 1.266 12 residues pruned to eliminate duplicates Z: 67 34.321 2.111 0.720 0.514 0.848 0.591 CA 1.352 67 residues pruned to eliminate duplicates Z: 15 9.174 1.559 0.315 0.931 1.000 1.000 CB 0.836 15 residues pruned to eliminate duplicates Z: 12 13.846 1.797 0.397 0.689 1.000 0.727 CA 1.398 13 residues pruned to eliminate duplicates Z: 12 11.499 1.656 0.319 0.654 1.000 0.818 O 1.376 12 residues pruned to eliminate duplicates Z: 16 17.317 2.082 0.389 0.835 0.933 0.867 CB 1.241 16 residues pruned to eliminate duplicates Z: 9 16.331 2.004 1.204 0.535 0.875 0.625 CA 1.443 9 residues pruned to eliminate duplicates Z: 45 20.634 1.895 0.550 0.370 0.818 0.455 CB 1.487 45 residues pruned to eliminate duplicates Z: 29 18.788 2.087 0.656 0.412 0.893 0.571 CA 1.262 29 residues pruned to eliminate duplicates Z: 24 25.054 2.128 0.605 0.623 0.913 0.652 CA 1.492 24 residues pruned to eliminate duplicates Z: 6 5.106 1.553 0.088 0.597 1.000 0.400 N 1.232 Z: 7 4.686 1.604 0.094 0.780 0.833 0.333 CB 1.022 Z: 21 23.532 2.077 0.494 0.859 0.950 0.700 CA 1.314 21 residues pruned to eliminate duplicates Z: 7 8.704 1.827 0.190 0.872 0.833 0.833 CB 1.430 7 residues pruned to eliminate duplicates Z: 15 11.003 1.617 0.385 0.935 1.000 0.929 CB 0.915 15 residues pruned to eliminate duplicates Z: 9 8.062 1.801 0.310 0.474 1.000 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 26 16.650 1.969 0.469 0.420 0.960 0.440 CB 1.303 26 residues pruned to eliminate duplicates Z: 19 21.635 1.997 0.538 0.842 0.944 0.722 CB 1.310 19 residues pruned to eliminate duplicates Z: 52 34.530 2.112 0.792 0.623 0.922 0.667 CB 1.235 67 residues pruned to eliminate duplicates Z: 14 12.824 1.657 0.762 0.910 1.000 0.692 CB 0.864 14 residues pruned to eliminate duplicates Z: 6 2.387 1.462 0.428 0.299 0.600 0.400 C 1.067 Z: 7 7.676 1.660 0.507 0.614 0.833 0.667 CA 1.349 7 residues pruned to eliminate duplicates Z: 6 4.500 1.410 0.215 0.804 1.000 0.600 CB 0.901 Z: 6 4.891 1.371 0.324 0.869 1.000 0.600 CA 0.880 6 residues pruned to eliminate duplicates Z: 9 4.929 1.491 0.415 0.424 0.875 0.750 N 1.021 Z: 23 14.893 1.804 0.919 0.665 0.864 0.273 CB 0.911 21 residues pruned to eliminate duplicates Z: 17 13.992 1.750 0.492 0.875 0.875 0.688 CA 1.114 17 residues pruned to eliminate duplicates Z: 9 9.760 1.850 0.357 0.908 1.000 0.750 CB 0.976 8 residues pruned to eliminate duplicates Z: 6 3.700 1.432 0.174 0.550 1.000 0.400 CB 0.937 Z: 24 20.237 1.966 0.598 0.546 0.957 0.739 CB 1.343 51 residues pruned to eliminate duplicates Z: 9 9.462 1.630 0.295 0.803 1.000 0.875 CB 1.216 9 residues pruned to eliminate duplicates Z: 33 17.520 2.071 0.471 0.406 0.875 0.562 CB 1.283 33 residues pruned to eliminate duplicates Z: 10 8.263 2.148 -0.270 0.910 1.000 0.889 CA 1.246 10 residues pruned to eliminate duplicates Z: 39 15.973 1.937 0.479 0.444 0.842 0.579 CB 1.138 39 residues pruned to eliminate duplicates Z: 13 11.648 1.974 0.130 0.926 1.000 0.917 CB 1.057 13 residues pruned to eliminate duplicates Z: 15 9.273 1.548 0.415 0.901 1.000 0.857 CB 0.807 15 residues pruned to eliminate duplicates Z: 14 11.660 1.660 0.459 0.919 1.000 0.692 CB 0.941 14 residues pruned to eliminate duplicates Z: 11 7.589 1.622 0.487 0.461 1.000 0.600 CA 1.036 11 residues pruned to eliminate duplicates Z: 7 8.128 1.590 0.281 0.725 1.000 0.667 C 1.330 Z: 30 18.989 1.828 0.589 0.582 0.897 0.448 CB 1.252 30 residues pruned to eliminate duplicates Z: 8 9.205 1.540 0.475 0.871 1.000 0.714 CB 1.117 7 residues pruned to eliminate duplicates Z: 15 12.121 1.838 0.535 0.531 0.857 0.571 CB 1.299 Z: 21 19.684 2.065 0.718 0.394 0.950 0.550 CB 1.460 21 residues pruned to eliminate duplicates Z: 66 38.815 2.049 0.720 0.512 0.908 0.492 CB 1.488 66 residues pruned to eliminate duplicates Z: 22 14.813 1.801 0.323 0.819 0.952 0.762 CB 1.080 22 residues pruned to eliminate duplicates Z: 16 21.342 2.167 0.605 0.473 1.000 0.533 CB 1.628 16 residues pruned to eliminate duplicates Z: 7 10.352 1.960 0.432 0.719 1.000 0.833 CA 1.235 7 residues pruned to eliminate duplicates Z: 6 5.392 1.429 0.539 0.751 1.000 1.000 CB 0.876 6 residues pruned to eliminate duplicates Z: 10 8.273 1.547 0.271 0.608 1.000 0.778 O 1.266 10 residues pruned to eliminate duplicates Z: 16 11.483 1.567 0.552 0.922 1.000 1.000 CB 0.857 16 residues pruned to eliminate duplicates Z: 8 5.903 1.684 0.255 0.361 1.000 0.714 CB 1.226 9 residues pruned to eliminate duplicates Z: 54 26.867 1.831 0.553 0.647 0.962 0.623 CB 1.176 54 residues pruned to eliminate duplicates Z: 15 9.175 1.717 0.362 0.449 0.857 0.429 CA 1.289 15 residues pruned to eliminate duplicates Z: 15 15.288 1.959 0.650 0.603 0.929 0.786 CB 1.234 14 residues pruned to eliminate duplicates Z: 12 8.668 1.683 0.652 0.629 0.818 0.727 CB 1.018 12 residues pruned to eliminate duplicates Z: 7 5.726 1.479 0.425 0.892 1.000 1.000 CB 0.797 7 residues pruned to eliminate duplicates Z: 6 3.878 1.220 0.770 0.820 0.800 0.400 CB 0.760 Z: 6 3.589 1.417 0.157 0.416 1.000 0.400 C 1.068 Z: 7 6.461 1.809 0.250 0.862 1.000 1.000 CA 0.856 7 residues pruned to eliminate duplicates Z: 7 2.357 1.404 0.059 0.456 0.833 0.500 CA 0.812 Z: 82 35.717 1.998 0.496 0.562 0.901 0.617 CB 1.387 82 residues pruned to eliminate duplicates Z: 18 20.009 2.085 0.591 0.825 0.941 0.706 CB 1.173 18 residues pruned to eliminate duplicates Z: 17 11.248 2.000 0.474 0.523 0.812 0.625 CB 1.148 17 residues pruned to eliminate duplicates Z: 17 13.078 1.774 0.257 0.886 0.938 0.750 CA 1.129 17 residues pruned to eliminate duplicates Z: 16 18.375 1.785 0.537 0.856 1.000 0.667 CA 1.276 16 residues pruned to eliminate duplicates Z: 8 12.836 1.987 0.386 0.727 1.000 0.714 CA 1.435 8 residues pruned to eliminate duplicates Z: 15 15.755 1.898 0.559 0.679 1.000 0.714 CB 1.207 15 residues pruned to eliminate duplicates Z: 13 16.086 2.005 0.426 0.829 1.000 0.750 CB 1.222 13 residues pruned to eliminate duplicates Z: 10 14.705 1.663 0.954 0.767 1.000 0.889 CB 1.191 9 residues pruned to eliminate duplicates Z: 24 13.531 1.763 0.603 0.458 0.870 0.478 CB 1.199 Z: 16 12.587 1.639 0.616 0.796 0.867 0.600 CB 1.092 16 residues pruned to eliminate duplicates Z: 7 2.723 1.471 0.133 0.298 0.833 0.333 CB 1.003 Z: 8 13.355 1.871 0.907 0.856 1.000 0.714 CB 1.044 Z: 9 5.056 1.354 0.299 0.500 0.875 0.625 CA 1.161 Z: 12 17.864 1.863 0.591 0.911 1.000 0.818 CA 1.288 12 residues pruned to eliminate duplicates Z: 23 44.456 2.260 1.033 0.811 1.000 0.682 CA 1.574 23 residues pruned to eliminate duplicates Z: 8 6.044 1.546 0.750 0.584 0.857 0.571 CB 0.909 Z: 8 9.620 1.811 0.799 0.722 1.000 0.857 CB 0.913 8 residues pruned to eliminate duplicates Z: 19 19.440 2.066 0.803 0.602 0.889 0.333 CB 1.255 28 residues pruned to eliminate duplicates Z: 14 13.588 1.898 0.924 0.369 0.923 0.615 CB 1.287 15 residues pruned to eliminate duplicates Z: 15 13.320 1.639 0.481 0.881 0.929 0.786 CB 1.144 15 residues pruned to eliminate duplicates Z: 11 14.080 1.884 1.037 0.450 0.900 0.700 CB 1.357 13 residues pruned to eliminate duplicates Z: 15 9.626 1.530 0.347 0.888 1.000 0.929 CB 0.900 15 residues pruned to eliminate duplicates Z: 29 28.798 1.959 0.719 0.720 0.929 0.714 CA 1.426 29 residues pruned to eliminate duplicates Z: 6 4.142 1.543 0.129 0.878 1.000 1.000 CB 0.772 6 residues pruned to eliminate duplicates Z: 15 13.432 1.777 0.316 0.908 0.929 0.786 CA 1.174 15 residues pruned to eliminate duplicates Z: 8 15.799 1.918 0.793 0.774 1.000 0.714 CA 1.363 8 residues pruned to eliminate duplicates Z: 32 18.978 1.916 0.675 0.473 0.806 0.516 CB 1.354 32 residues pruned to eliminate duplicates Z: 16 13.028 1.779 0.238 0.854 0.867 0.733 CB 1.302 16 residues pruned to eliminate duplicates Z: 33 23.143 2.007 0.902 0.537 0.844 0.594 CA 1.224 33 residues pruned to eliminate duplicates Z: 12 27.312 2.306 0.852 0.882 0.909 0.818 CA 1.535 12 residues pruned to eliminate duplicates Z: 6 3.870 1.525 1.069 0.497 0.600 0.600 CB 0.916 Z: 25 14.136 2.089 0.413 0.450 0.833 0.542 CB 1.235 25 residues pruned to eliminate duplicates Z: 12 5.632 1.558 0.767 0.248 0.818 0.364 CB 1.008 12 residues pruned to eliminate duplicates Z: 15 4.669 1.500 0.158 0.327 0.857 0.571 CB 1.013 15 residues pruned to eliminate duplicates Z: 8 2.557 1.459 0.200 0.353 0.714 0.714 CB 0.906 Z: 14 10.647 1.568 0.345 0.812 0.923 0.846 CB 1.156 14 residues pruned to eliminate duplicates Z: 30 16.696 1.826 0.447 0.561 0.931 0.690 CA 1.189 30 residues pruned to eliminate duplicates Z: 33 18.179 1.904 0.479 0.481 0.875 0.500 CB 1.330 33 residues pruned to eliminate duplicates Z: 15 8.843 1.555 0.322 0.932 1.000 0.786 CB 0.803 15 residues pruned to eliminate duplicates Z: 7 4.292 1.794 0.275 0.425 0.667 0.667 CA 1.242 7 residues pruned to eliminate duplicates Z: 25 20.641 2.051 0.789 0.625 0.833 0.625 CA 1.224 25 residues pruned to eliminate duplicates Z: 11 15.529 1.947 0.461 0.869 1.000 0.700 CA 1.261 11 residues pruned to eliminate duplicates Z: 44 19.717 1.862 0.550 0.409 0.860 0.442 CB 1.332 44 residues pruned to eliminate duplicates Z: 10 13.257 1.777 0.417 0.820 1.000 0.889 CB 1.329 10 residues pruned to eliminate duplicates 8 1.203 1.380 -0.243 0.264 0.714 0.429 CB 0.799 ? Z: 14 13.038 1.682 0.842 0.921 1.000 0.692 CB 0.821 14 residues pruned to eliminate duplicates Z: 48 31.042 2.052 0.583 0.578 0.957 0.660 CB 1.350 48 residues pruned to eliminate duplicates Z: 13 17.322 2.088 0.788 0.830 0.750 0.500 CA 1.343 13 residues pruned to eliminate duplicates Z: 17 28.763 2.062 1.150 0.939 0.938 0.562 CB 1.202 17 residues pruned to eliminate duplicates Z: 7 5.063 1.463 0.175 0.844 1.000 1.000 CB 0.895 Z: 8 9.036 1.880 0.670 0.424 1.000 0.714 CB 1.177 8 residues pruned to eliminate duplicates Z: 9 4.329 1.634 0.251 0.401 0.875 0.500 CB 0.950 Z: 16 13.554 1.829 0.249 0.834 1.000 0.533 CA 1.149 16 residues pruned to eliminate duplicates Z: 17 16.790 1.790 0.563 0.834 1.000 0.750 CA 1.125 17 residues pruned to eliminate duplicates Z: 7 5.256 1.514 0.158 0.785 1.000 0.833 CB 0.952 7 residues pruned to eliminate duplicates Z: 27 11.928 1.751 0.577 0.525 0.846 0.385 CB 0.977 27 residues pruned to eliminate duplicates Z: 11 8.131 1.653 0.389 0.802 0.900 0.600 CA 0.957 11 residues pruned to eliminate duplicates Z: 7 4.250 1.614 0.125 0.356 1.000 0.667 CB 1.117 Z: 8 3.411 1.838 0.667 0.071 0.571 0.429 CB 1.289 Z: 11 16.089 2.066 0.937 0.906 0.900 0.400 CB 1.005 11 residues pruned to eliminate duplicates Z: 35 20.680 2.006 0.494 0.442 0.882 0.618 CB 1.424 35 residues pruned to eliminate duplicates Z: 6 5.762 1.414 0.676 0.675 1.000 0.800 CA 0.925 Z: 10 12.265 1.645 1.303 0.675 0.889 0.778 CB 1.033 10 residues pruned to eliminate duplicates Z: 15 13.553 1.661 0.366 0.831 1.000 0.929 CB 1.199 15 residues pruned to eliminate duplicates Z: 17 11.609 1.634 0.649 0.593 0.875 0.500 CB 1.126 17 residues pruned to eliminate duplicates Z: 16 10.182 1.514 0.433 0.930 1.000 0.733 CB 0.847 16 residues pruned to eliminate duplicates Z: 14 5.942 1.840 0.313 0.329 0.692 0.231 CB 1.189 14 residues pruned to eliminate duplicates Z: 18 17.105 1.762 0.453 0.897 1.000 0.941 CB 1.160 18 residues pruned to eliminate duplicates Z: 6 5.501 1.496 0.474 0.804 1.000 0.600 CB 0.856 6 residues pruned to eliminate duplicates Z: 44 23.087 1.973 0.526 0.415 0.907 0.605 CB 1.409 44 residues pruned to eliminate duplicates Z: 11 21.417 2.045 0.962 0.891 1.000 0.700 CA 1.213 11 residues pruned to eliminate duplicates Z: 15 6.950 1.501 0.299 0.898 1.000 0.857 CB 0.682 15 residues pruned to eliminate duplicates 8 1.909 1.385 0.015 0.261 0.857 0.286 CB 0.787 ? Z: 10 11.382 1.783 0.584 0.731 1.000 0.667 CA 1.091 10 residues pruned to eliminate duplicates Z: 11 16.794 2.165 0.682 0.693 0.900 0.900 CA 1.359 11 residues pruned to eliminate duplicates Z: 24 10.685 1.838 0.385 0.350 0.826 0.435 CB 1.247 24 residues pruned to eliminate duplicates Z: 16 14.162 1.647 0.370 0.873 1.000 0.933 CB 1.180 16 residues pruned to eliminate duplicates Z: 20 10.382 1.762 0.480 0.365 0.895 0.579 CB 1.180 20 residues pruned to eliminate duplicates Z: 11 8.129 1.570 0.368 0.719 0.900 0.500 CA 1.091 11 residues pruned to eliminate duplicates Z: 7 2.068 1.387 0.303 0.407 0.667 0.500 CB 0.772 Z: 6 2.991 1.544 0.011 0.651 0.800 0.600 CB 0.930 Z: 6 4.638 1.624 0.551 0.626 1.000 1.000 CB 0.732 7 residues pruned to eliminate duplicates Z: 6 3.143 1.706 -0.219 0.630 1.000 0.600 CB 0.933 Z: 11 3.607 1.630 0.363 0.397 0.800 0.400 CB 0.716 9 residues pruned to eliminate duplicates Z: 40 31.558 2.170 0.687 0.540 0.974 0.513 CA 1.362 40 residues pruned to eliminate duplicates Z: 11 2.846 1.226 0.189 0.393 0.800 0.400 CB 0.864 Z: 10 4.230 1.547 -0.148 0.684 0.889 0.556 C 1.016 Z: 8 2.277 1.574 0.160 0.320 0.714 0.571 CB 0.805 Z: 12 20.497 2.071 0.768 0.920 1.000 0.909 CB 1.189 12 residues pruned to eliminate duplicates Z: 70 29.541 1.795 0.571 0.592 0.942 0.580 CB 1.226 70 residues pruned to eliminate duplicates Z: 24 14.593 1.864 0.558 0.373 0.870 0.478 CB 1.379 24 residues pruned to eliminate duplicates Z: 9 7.580 1.509 0.871 0.747 0.875 0.500 CB 0.870 9 residues pruned to eliminate duplicates Z: 16 11.744 1.707 0.254 0.855 0.933 0.733 CB 1.120 16 residues pruned to eliminate duplicates Z: 18 11.125 1.638 0.485 0.736 0.882 0.529 CA 1.017 18 residues pruned to eliminate duplicates Z: 7 11.503 1.819 0.923 0.821 0.833 0.833 CB 1.219 7 residues pruned to eliminate duplicates Z: 30 24.312 1.957 0.764 0.478 0.931 0.552 CA 1.436 30 residues pruned to eliminate duplicates Z: 7 2.511 1.321 0.672 0.512 0.833 0.833 CB 0.550 7 residues pruned to eliminate duplicates Z: 64 34.121 2.094 0.597 0.522 0.937 0.603 CB 1.344 90 residues pruned to eliminate duplicates Z: 17 9.442 1.844 0.440 0.478 0.875 0.438 CB 1.039 17 residues pruned to eliminate duplicates Z: 11 10.999 1.595 0.867 0.645 0.900 0.700 CB 1.134 11 residues pruned to eliminate duplicates Z: 15 10.399 1.579 0.413 0.577 1.000 0.571 CB 1.157 17 residues pruned to eliminate duplicates Z: 6 3.277 1.396 0.139 0.380 1.000 0.400 CB 1.047 Z: 6 4.078 1.448 0.502 0.300 1.000 0.600 CB 1.048 Z: 15 9.593 1.480 0.695 0.537 0.857 0.571 CB 1.150 12 residues pruned to eliminate duplicates Z: 6 2.194 1.487 -0.003 0.489 0.800 0.600 CB 0.836 Z: 12 6.648 1.314 0.773 0.437 0.909 0.364 CB 1.011 12 residues pruned to eliminate duplicates Z: 23 15.530 1.853 0.328 0.641 0.955 0.591 CA 1.236 23 residues pruned to eliminate duplicates Z: 12 4.316 1.507 0.504 0.520 0.909 0.727 CB 0.619 Z: 16 10.592 1.453 0.873 0.910 1.000 0.600 CB 0.713 16 residues pruned to eliminate duplicates Z: 14 3.605 1.467 0.051 0.389 0.769 0.462 CB 0.948 7 residues pruned to eliminate duplicates Z: 38 16.976 1.915 0.436 0.385 0.946 0.514 CB 1.213 38 residues pruned to eliminate duplicates Z: 20 34.423 2.044 1.007 0.912 0.947 0.474 CA 1.439 20 residues pruned to eliminate duplicates Z: 41 28.540 2.039 0.580 0.628 0.925 0.625 CA 1.343 41 residues pruned to eliminate duplicates Z: 18 16.971 1.901 0.700 0.643 0.941 0.529 CA 1.184 18 residues pruned to eliminate duplicates Z: 14 12.305 1.841 0.551 0.561 0.846 0.769 CA 1.332 Z: 13 9.988 1.677 0.589 0.904 1.000 0.583 CB 0.771 13 residues pruned to eliminate duplicates Z: 6 3.277 1.241 0.673 0.491 0.800 0.800 C 0.891 Z: 6 4.003 1.536 0.457 0.620 1.000 1.000 CB 0.714 Z: 7 4.352 1.786 0.296 0.326 0.833 0.500 CB 1.116 Z: 10 6.476 1.591 0.166 0.729 0.778 0.667 CB 1.218 10 residues pruned to eliminate duplicates Z: 13 11.157 1.780 0.459 0.710 0.833 0.417 CA 1.229 13 residues pruned to eliminate duplicates Z: 6 11.548 1.904 0.651 0.746 1.000 0.600 CA 1.318 6 residues pruned to eliminate duplicates 6 1.735 1.058 0.751 0.661 0.800 0.600 N 0.451 ? Z: 16 7.711 1.964 0.585 0.328 0.667 0.400 CB 1.159 16 residues pruned to eliminate duplicates Z: 8 4.303 1.486 0.904 0.377 0.714 0.571 CB 0.918 8 residues pruned to eliminate duplicates Z: 7 3.409 1.381 0.261 0.404 1.000 0.500 CB 0.884 Z: 6 2.433 1.443 0.532 0.297 0.800 0.600 CB 0.771 Z: 12 23.612 2.273 0.716 0.916 1.000 0.727 CA 1.289 12 residues pruned to eliminate duplicates Z: 50 23.917 1.969 0.649 0.510 0.857 0.490 CB 1.216 50 residues pruned to eliminate duplicates Z: 16 20.966 2.017 0.741 0.937 1.000 0.933 CB 1.073 16 residues pruned to eliminate duplicates Z: 18 18.023 1.744 0.634 0.842 1.000 0.765 CB 1.144 18 residues pruned to eliminate duplicates Z: 10 5.898 1.402 0.195 0.856 1.000 0.889 CA 0.866 10 residues pruned to eliminate duplicates Z: 6 4.010 1.270 0.146 0.701 1.000 0.600 CA 1.027 Using tripeptides from previous cycle as seeds Z: 13 6.181 1.612 0.346 0.559 0.833 0.583 CB 0.932 7 1.691 1.130 0.079 0.438 0.833 0.500 CA 0.725 ? Z: 17 22.140 2.038 0.557 0.925 1.000 0.875 CB 1.224 17 residues pruned to eliminate duplicates Z: 55 55.061 2.201 0.808 0.769 0.981 0.685 CA 1.511 69 residues pruned to eliminate duplicates Z: 17 26.233 2.127 0.823 0.887 0.938 0.562 CB 1.301 17 residues pruned to eliminate duplicates Z: 16 24.239 2.222 0.480 0.930 1.000 0.600 CB 1.331 16 residues pruned to eliminate duplicates Z: 45 44.641 2.182 0.907 0.700 0.932 0.636 CB 1.446 45 residues pruned to eliminate duplicates Z: 64 45.668 2.109 0.767 0.665 0.921 0.635 CA 1.440 64 residues pruned to eliminate duplicates Z: 66 45.485 2.072 0.800 0.638 0.923 0.508 CA 1.440 66 residues pruned to eliminate duplicates Z: 21 26.757 2.006 0.941 0.698 1.000 0.750 CB 1.282 20 residues pruned to eliminate duplicates Z: 18 31.910 2.100 1.355 0.876 1.000 0.647 CB 1.137 18 residues pruned to eliminate duplicates Z: 43 42.718 2.205 0.868 0.727 0.881 0.619 CB 1.481 43 residues pruned to eliminate duplicates Z: 44 45.061 2.184 0.801 0.717 0.953 0.605 CB 1.505 44 residues pruned to eliminate duplicates Z: 23 25.328 2.024 0.970 0.666 0.955 0.591 CB 1.217 23 residues pruned to eliminate duplicates Z: 60 50.170 2.151 0.903 0.678 0.949 0.661 CA 1.428 60 residues pruned to eliminate duplicates Z: 39 50.182 2.241 0.946 0.802 0.947 0.684 CA 1.514 39 residues pruned to eliminate duplicates Z: 54 58.277 2.218 0.919 0.751 0.962 0.679 CA 1.562 54 residues pruned to eliminate duplicates Z: 60 52.839 2.159 0.906 0.695 0.932 0.678 CA 1.501 60 residues pruned to eliminate duplicates Z: 54 58.391 2.211 0.885 0.772 0.981 0.660 CB 1.541 54 residues pruned to eliminate duplicates Z: 61 49.528 2.152 0.819 0.694 0.933 0.533 CB 1.467 61 residues pruned to eliminate duplicates Z: 61 47.167 2.131 0.834 0.694 0.917 0.533 CB 1.423 56 residues pruned to eliminate duplicates Z: 21 29.020 2.142 0.607 0.887 0.950 0.650 CA 1.430 21 residues pruned to eliminate duplicates Z: 40 51.425 2.238 1.070 0.786 0.949 0.667 CB 1.457 45 residues pruned to eliminate duplicates Z: 21 40.381 2.180 0.974 0.898 0.950 0.700 CA 1.579 21 residues pruned to eliminate duplicates Z: 56 52.806 2.172 0.779 0.746 0.945 0.691 CA 1.564 56 residues pruned to eliminate duplicates Z: 40 52.725 2.206 1.033 0.777 1.000 0.590 CB 1.474 40 residues pruned to eliminate duplicates Z: 20 36.467 2.224 0.894 0.886 0.947 0.684 CA 1.512 20 residues pruned to eliminate duplicates Z: 62 48.803 2.115 0.762 0.674 0.951 0.541 CB 1.503 62 residues pruned to eliminate duplicates Z: 55 57.037 2.185 0.947 0.769 0.944 0.611 CA 1.523 55 residues pruned to eliminate duplicates Z: 61 47.329 2.127 0.739 0.699 0.967 0.600 CB 1.425 61 residues pruned to eliminate duplicates Z: 56 51.042 2.162 0.868 0.734 0.927 0.618 CB 1.489 56 residues pruned to eliminate duplicates Z: 54 56.626 2.198 0.910 0.768 0.962 0.660 CA 1.518 54 residues pruned to eliminate duplicates Z: 40 51.936 2.230 1.113 0.791 0.923 0.590 CB 1.481 40 residues pruned to eliminate duplicates Z: 54 59.857 2.223 1.006 0.752 0.943 0.585 CB 1.561 55 residues pruned to eliminate duplicates Z: 20 44.819 2.219 1.003 0.879 1.000 0.789 CA 1.677 20 residues pruned to eliminate duplicates Z: 59 49.600 2.151 0.942 0.692 0.914 0.517 CB 1.430 59 residues pruned to eliminate duplicates Z: 54 59.995 2.176 1.066 0.751 0.981 0.566 CB 1.493 54 residues pruned to eliminate duplicates Z: 86 50.392 2.055 0.731 0.648 0.941 0.671 CA 1.422 84 residues pruned to eliminate duplicates Z: 6 5.220 1.671 0.008 0.477 1.000 0.600 CA 1.419 6 residues pruned to eliminate duplicates Z: 55 56.014 2.187 0.859 0.770 0.963 0.685 CB 1.533 55 residues pruned to eliminate duplicates Z: 49 48.747 2.188 0.960 0.719 0.938 0.562 CB 1.435 49 residues pruned to eliminate duplicates Z: 17 14.817 1.974 0.481 0.687 0.938 0.688 CA 1.139 17 residues pruned to eliminate duplicates Z: 54 44.297 2.077 0.877 0.725 0.943 0.358 CB 1.350 54 residues pruned to eliminate duplicates Z: 54 47.263 2.141 1.018 0.741 0.906 0.491 CB 1.337 54 residues pruned to eliminate duplicates Z: 62 52.001 2.133 0.966 0.689 0.918 0.607 CB 1.454 62 residues pruned to eliminate duplicates Z: 29 30.595 2.111 0.923 0.671 0.857 0.429 CA 1.420 29 residues pruned to eliminate duplicates Z: 18 20.346 1.983 0.628 0.662 0.941 0.588 CA 1.398 18 residues pruned to eliminate duplicates Z: 16 24.442 2.068 0.834 0.727 1.000 0.533 CA 1.356 16 residues pruned to eliminate duplicates Z: 17 22.052 2.012 0.742 0.684 1.000 0.625 CA 1.329 17 residues pruned to eliminate duplicates Z: 17 21.556 2.022 0.675 0.727 0.938 0.375 CA 1.383 17 residues pruned to eliminate duplicates Z: 12 22.092 1.987 0.930 0.834 1.000 0.636 CA 1.302 12 residues pruned to eliminate duplicates Z: 11 25.664 1.979 1.158 0.877 1.000 0.500 CA 1.380 11 residues pruned to eliminate duplicates Z: 6 3.661 1.555 0.388 0.388 1.000 0.600 CA 0.855 6 residues pruned to eliminate duplicates Z: 35 16.379 1.841 0.597 0.508 0.853 0.500 CB 1.112 35 residues pruned to eliminate duplicates Z: 8 4.292 1.756 0.282 0.258 0.857 0.429 CB 1.108 8 residues pruned to eliminate duplicates Z: 23 17.252 1.936 0.736 0.658 0.864 0.500 CB 1.094 23 residues pruned to eliminate duplicates Z: 17 15.330 1.957 0.759 0.825 0.875 0.375 CB 0.961 17 residues pruned to eliminate duplicates Z: 53 38.686 2.028 0.557 0.720 0.981 0.692 CB 1.420 62 residues pruned to eliminate duplicates Z: 9 6.206 1.824 0.761 0.880 0.875 0.250 CB 0.566 9 residues pruned to eliminate duplicates Z: 54 39.973 2.037 0.604 0.757 0.925 0.698 CB 1.446 54 residues pruned to eliminate duplicates Z: 53 43.059 2.068 0.658 0.769 0.962 0.692 CB 1.427 53 residues pruned to eliminate duplicates Z: 54 44.902 2.052 0.790 0.756 0.962 0.679 CB 1.390 53 residues pruned to eliminate duplicates Z: 15 12.966 1.888 0.999 0.845 0.857 0.214 CB 0.796 15 residues pruned to eliminate duplicates Z: 17 23.503 1.950 1.237 0.883 1.000 0.375 CB 0.974 15 residues pruned to eliminate duplicates Z: 13 14.117 2.012 1.036 0.880 0.833 0.250 CB 0.865 13 residues pruned to eliminate duplicates Z: 30 22.897 1.922 0.809 0.728 0.897 0.517 CB 1.111 30 residues pruned to eliminate duplicates Z: 15 20.364 1.991 0.949 0.842 0.929 0.143 CB 1.125 15 residues pruned to eliminate duplicates Z: 55 37.884 2.033 0.567 0.748 0.907 0.481 CB 1.429 55 residues pruned to eliminate duplicates Z: 54 42.676 2.046 0.688 0.759 0.943 0.528 CB 1.429 54 residues pruned to eliminate duplicates Z: 47 42.811 2.006 0.744 0.725 0.978 0.674 CA 1.505 47 residues pruned to eliminate duplicates Z: 18 21.221 1.972 1.121 0.769 1.000 0.588 CB 0.970 18 residues pruned to eliminate duplicates Z: 54 39.902 2.037 0.614 0.746 0.943 0.604 CB 1.419 54 residues pruned to eliminate duplicates Z: 55 39.079 2.016 0.567 0.753 0.944 0.574 CB 1.423 54 residues pruned to eliminate duplicates Z: 21 27.173 1.940 0.652 0.821 1.000 0.750 CA 1.435 21 residues pruned to eliminate duplicates Z: 41 33.860 2.040 0.551 0.700 0.950 0.700 CA 1.484 41 residues pruned to eliminate duplicates Z: 38 31.555 2.025 0.677 0.801 0.919 0.649 CB 1.277 38 residues pruned to eliminate duplicates Z: 54 47.383 2.075 0.796 0.761 0.943 0.698 CB 1.469 56 residues pruned to eliminate duplicates Z: 19 30.240 2.058 0.742 0.929 1.000 0.722 CA 1.391 19 residues pruned to eliminate duplicates Z: 42 31.581 2.021 0.466 0.682 0.951 0.561 CA 1.481 43 residues pruned to eliminate duplicates Z: 19 33.104 2.100 0.934 0.916 0.944 0.556 CA 1.436 19 residues pruned to eliminate duplicates Z: 50 35.038 1.986 0.670 0.648 0.898 0.612 CA 1.464 50 residues pruned to eliminate duplicates Z: 44 31.182 2.001 0.654 0.689 0.860 0.605 CA 1.404 44 residues pruned to eliminate duplicates Z: 40 35.403 2.029 0.655 0.739 0.974 0.744 CA 1.398 40 residues pruned to eliminate duplicates Z: 20 25.870 1.976 0.791 0.889 0.947 0.579 CA 1.275 20 residues pruned to eliminate duplicates Z: 28 26.607 2.079 0.468 0.666 0.963 0.593 CA 1.494 28 residues pruned to eliminate duplicates Z: 53 43.830 2.062 0.659 0.759 0.962 0.577 CB 1.467 53 residues pruned to eliminate duplicates Z: 54 46.932 2.050 0.857 0.760 0.981 0.660 CB 1.370 54 residues pruned to eliminate duplicates Z: 39 38.360 2.060 0.668 0.745 0.974 0.684 CA 1.495 39 residues pruned to eliminate duplicates Z: 19 28.537 2.081 0.713 0.915 0.944 0.500 CA 1.411 19 residues pruned to eliminate duplicates Z: 40 33.346 2.022 0.527 0.734 0.974 0.590 CA 1.438 40 residues pruned to eliminate duplicates Z: 28 27.760 2.066 0.627 0.690 0.889 0.704 CA 1.502 28 residues pruned to eliminate duplicates Z: 32 32.078 2.029 0.639 0.677 0.968 0.645 CA 1.522 32 residues pruned to eliminate duplicates Z: 40 35.020 2.050 0.665 0.729 0.974 0.821 CA 1.372 40 residues pruned to eliminate duplicates Z: 41 34.663 2.025 0.593 0.714 0.950 0.625 CA 1.474 41 residues pruned to eliminate duplicates Z: 36 32.525 2.095 0.490 0.713 0.971 0.686 CA 1.494 36 residues pruned to eliminate duplicates Z: 44 35.041 1.989 0.781 0.668 0.884 0.628 CA 1.462 44 residues pruned to eliminate duplicates Z: 16 19.626 1.993 0.451 0.731 1.000 0.667 CA 1.424 16 residues pruned to eliminate duplicates Z: 40 36.591 2.043 0.745 0.708 0.949 0.667 CA 1.434 40 residues pruned to eliminate duplicates Z: 12 18.780 2.033 0.501 0.813 1.000 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 18 16.651 1.894 0.388 0.654 0.941 0.588 CA 1.414 18 residues pruned to eliminate duplicates Z: 49 38.225 2.026 0.688 0.706 0.958 0.625 CA 1.396 49 residues pruned to eliminate duplicates Z: 24 24.197 2.120 0.518 0.642 0.957 0.739 CA 1.436 24 residues pruned to eliminate duplicates Z: 43 34.697 1.973 0.754 0.690 0.905 0.738 CA 1.437 43 residues pruned to eliminate duplicates Z: 17 18.451 2.018 0.506 0.694 0.875 0.688 CA 1.453 17 residues pruned to eliminate duplicates Z: 19 18.045 1.856 0.683 0.617 0.944 0.667 CB 1.291 18 residues pruned to eliminate duplicates Z: 12 20.783 1.887 0.987 0.894 0.909 0.545 CA 1.318 12 residues pruned to eliminate duplicates Z: 55 48.419 2.023 0.901 0.762 0.981 0.611 CB 1.383 55 residues pruned to eliminate duplicates Z: 13 20.910 1.827 0.921 0.847 1.000 0.417 CA 1.277 13 residues pruned to eliminate duplicates Z: 7 3.235 1.555 0.542 0.342 0.833 0.333 CB 0.785 Z: 11 5.822 1.333 0.448 0.690 1.000 0.400 CB 0.801 14 residues pruned to eliminate duplicates Z: 8 2.943 1.409 0.191 0.645 0.857 0.571 CB 0.676 8 residues pruned to eliminate duplicates Z: 10 5.318 1.505 0.624 0.695 0.889 0.444 CB 0.682 10 residues pruned to eliminate duplicates Z: 6 3.342 1.392 0.091 0.745 0.800 0.800 CB 0.988 6 residues pruned to eliminate duplicates Z: 7 6.111 1.308 0.566 0.841 1.000 0.667 CB 0.908 6 residues pruned to eliminate duplicates Z: 6 6.322 1.483 0.775 0.431 1.000 0.600 N 1.154 6 residues pruned to eliminate duplicates Z: 15 8.440 1.594 0.276 0.569 0.929 0.571 CB 1.117 15 residues pruned to eliminate duplicates Z: 10 11.093 1.755 0.324 0.624 1.000 0.667 CB 1.415 9 residues pruned to eliminate duplicates Z: 6 3.499 1.486 0.464 0.372 1.000 0.400 CB 0.825 6 residues pruned to eliminate duplicates Z: 12 11.819 1.683 0.536 0.671 0.909 0.727 N 1.295 12 residues pruned to eliminate duplicates Z: 11 9.899 1.657 0.612 0.648 0.900 0.700 CB 1.134 11 residues pruned to eliminate duplicates Z: 14 8.742 1.589 0.342 0.609 0.923 0.692 CB 1.112 14 residues pruned to eliminate duplicates Z: 12 8.771 1.669 0.279 0.633 0.909 0.818 CA 1.203 19 residues pruned to eliminate duplicates Z: 16 7.649 1.520 0.417 0.464 0.867 0.600 CA 1.098 16 residues pruned to eliminate duplicates Z: 20 18.444 2.074 0.516 0.563 0.842 0.737 CA 1.503 20 residues pruned to eliminate duplicates Z: 20 33.031 2.142 1.010 0.726 0.947 0.632 CA 1.516 20 residues pruned to eliminate duplicates Z: 19 23.261 2.019 0.668 0.639 1.000 0.778 CA 1.430 29 residues pruned to eliminate duplicates Z: 6 3.543 1.474 0.703 0.265 0.800 0.400 C 1.031 6 residues pruned to eliminate duplicates Z: 12 8.489 1.686 0.591 0.530 0.818 0.364 CA 1.132 12 residues pruned to eliminate duplicates Z: 17 23.493 2.111 0.739 0.693 0.875 0.688 CA 1.533 17 residues pruned to eliminate duplicates Z: 16 23.536 2.129 0.568 0.740 0.933 0.667 CA 1.572 16 residues pruned to eliminate duplicates Z: 17 25.812 2.123 0.645 0.685 1.000 0.750 CA 1.560 17 residues pruned to eliminate duplicates Z: 18 22.510 2.098 0.499 0.653 1.000 0.765 CA 1.506 18 residues pruned to eliminate duplicates Z: 16 25.925 2.104 0.696 0.752 1.000 0.800 CA 1.498 16 residues pruned to eliminate duplicates Z: 17 24.235 2.164 0.455 0.732 1.000 0.812 CA 1.563 17 residues pruned to eliminate duplicates Z: 20 17.646 1.900 0.791 0.471 0.895 0.579 CA 1.370 20 residues pruned to eliminate duplicates Z: 20 20.896 2.033 0.852 0.524 0.947 0.684 CA 1.313 20 residues pruned to eliminate duplicates Z: 17 17.238 2.103 0.668 0.464 0.938 0.500 CA 1.360 17 residues pruned to eliminate duplicates Z: 29 22.343 2.035 0.604 0.477 0.893 0.643 CB 1.482 29 residues pruned to eliminate duplicates Z: 39 39.795 2.215 0.940 0.604 0.947 0.553 CA 1.436 39 residues pruned to eliminate duplicates Z: 20 21.303 2.095 0.661 0.496 0.947 0.526 CA 1.489 20 residues pruned to eliminate duplicates Z: 29 25.686 2.068 0.619 0.520 0.964 0.464 CA 1.473 29 residues pruned to eliminate duplicates Z: 19 23.664 2.229 0.720 0.506 0.944 0.667 CA 1.531 19 residues pruned to eliminate duplicates Z: 23 15.291 1.932 0.526 0.350 0.909 0.500 CB 1.432 29 residues pruned to eliminate duplicates Z: 60 38.787 2.111 0.784 0.514 0.932 0.576 CB 1.417 60 residues pruned to eliminate duplicates Z: 29 21.199 1.984 0.736 0.506 0.893 0.536 CA 1.295 29 residues pruned to eliminate duplicates Z: 32 33.259 2.132 1.048 0.602 0.871 0.613 CB 1.426 32 residues pruned to eliminate duplicates Z: 37 31.181 2.170 0.925 0.585 0.833 0.528 CB 1.376 37 residues pruned to eliminate duplicates Z: 64 41.273 2.150 0.768 0.567 0.921 0.587 CB 1.392 64 residues pruned to eliminate duplicates Z: 47 37.893 2.130 0.868 0.607 0.913 0.630 CB 1.390 47 residues pruned to eliminate duplicates Z: 25 22.716 2.112 0.800 0.439 0.917 0.750 CA 1.417 25 residues pruned to eliminate duplicates Z: 50 31.933 2.142 0.711 0.526 0.918 0.551 CA 1.322 50 residues pruned to eliminate duplicates Z: 32 30.669 2.129 0.906 0.579 0.935 0.452 CA 1.346 32 residues pruned to eliminate duplicates Z: 71 41.638 2.129 0.690 0.582 0.957 0.643 CB 1.335 71 residues pruned to eliminate duplicates Z: 43 36.489 2.161 0.735 0.549 0.952 0.524 CA 1.503 43 residues pruned to eliminate duplicates Z: 71 42.638 2.120 0.754 0.580 0.957 0.571 CB 1.326 71 residues pruned to eliminate duplicates Z: 47 34.724 2.149 0.704 0.539 0.935 0.609 CA 1.440 47 residues pruned to eliminate duplicates Z: 66 36.152 2.112 0.592 0.502 0.954 0.631 CB 1.395 66 residues pruned to eliminate duplicates Z: 63 45.212 2.166 0.778 0.565 0.984 0.548 CB 1.423 63 residues pruned to eliminate duplicates Z: 49 37.458 2.120 0.954 0.545 0.875 0.542 CA 1.428 49 residues pruned to eliminate duplicates Z: 41 38.785 2.195 0.861 0.574 0.950 0.450 CA 1.472 41 residues pruned to eliminate duplicates Z: 15 27.519 2.194 1.222 0.786 0.857 0.286 CB 1.368 15 residues pruned to eliminate duplicates Z: 16 23.619 2.132 1.212 0.717 0.867 0.400 CB 1.226 16 residues pruned to eliminate duplicates Z: 51 33.010 2.067 0.783 0.554 0.900 0.440 CA 1.336 51 residues pruned to eliminate duplicates Z: 36 32.359 2.210 0.833 0.596 0.914 0.486 CB 1.348 36 residues pruned to eliminate duplicates Z: 65 38.586 2.128 0.733 0.541 0.891 0.578 CA 1.411 65 residues pruned to eliminate duplicates Z: 49 32.935 2.128 0.709 0.562 0.875 0.583 CA 1.407 49 residues pruned to eliminate duplicates Z: 64 34.863 2.075 0.720 0.523 0.937 0.540 CB 1.285 64 residues pruned to eliminate duplicates Z: 45 34.206 2.128 0.909 0.521 0.886 0.455 CB 1.403 45 residues pruned to eliminate duplicates Z: 51 41.340 2.182 0.841 0.596 0.900 0.440 CB 1.476 51 residues pruned to eliminate duplicates Z: 37 30.826 2.187 0.826 0.648 0.917 0.556 CB 1.222 37 residues pruned to eliminate duplicates Z: 50 21.911 1.923 0.643 0.506 0.837 0.551 CB 1.176 50 residues pruned to eliminate duplicates Z: 41 26.689 2.108 0.773 0.472 0.850 0.350 CB 1.367 41 residues pruned to eliminate duplicates Z: 36 33.212 2.173 0.809 0.669 0.914 0.629 CB 1.336 36 residues pruned to eliminate duplicates Z: 66 43.908 2.146 0.776 0.609 0.938 0.646 CB 1.374 66 residues pruned to eliminate duplicates Z: 63 40.919 2.142 0.738 0.609 0.935 0.516 CB 1.346 63 residues pruned to eliminate duplicates Z: 23 21.777 2.104 0.716 0.601 0.955 0.636 CB 1.224 23 residues pruned to eliminate duplicates Z: 35 32.260 2.161 0.832 0.730 0.941 0.706 CB 1.207 35 residues pruned to eliminate duplicates Z: 100 42.830 2.075 0.618 0.484 0.919 0.535 CA 1.417 60 residues pruned to eliminate duplicates 6 1.702 1.485 0.084 0.295 0.600 0.200 CA 0.991 ? Z: 6 4.615 1.738 0.544 0.245 0.800 0.400 CA 1.291 Z: 6 6.769 1.910 0.560 0.350 1.000 0.800 CA 1.195 12 residues pruned to eliminate duplicates Z: 101 42.268 2.083 0.632 0.452 0.910 0.500 CB 1.436 101 residues pruned to eliminate duplicates Z: 21 12.708 2.110 0.466 0.423 0.800 0.600 CB 1.244 21 residues pruned to eliminate duplicates Z: 15 11.285 2.101 0.469 0.413 0.857 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 22 14.179 2.090 0.413 0.434 0.905 0.524 CB 1.240 22 residues pruned to eliminate duplicates Z: 28 13.237 2.084 0.272 0.394 0.852 0.519 CA 1.261 28 residues pruned to eliminate duplicates Z: 77 25.858 1.968 0.492 0.414 0.868 0.500 CB 1.273 66 residues pruned to eliminate duplicates Z: 6 2.759 1.684 0.277 0.351 0.800 0.200 CB 0.843 6 residues pruned to eliminate duplicates Z: 26 15.184 1.976 0.553 0.425 0.880 0.440 CB 1.216 26 residues pruned to eliminate duplicates Z: 44 23.977 2.073 0.434 0.450 0.930 0.581 CB 1.392 44 residues pruned to eliminate duplicates Z: 49 20.249 1.996 0.466 0.382 0.875 0.479 CB 1.295 49 residues pruned to eliminate duplicates Z: 31 12.284 1.921 0.383 0.336 0.833 0.500 CB 1.212 31 residues pruned to eliminate duplicates Z: 68 28.818 2.020 0.514 0.436 0.910 0.537 CB 1.352 76 residues pruned to eliminate duplicates Z: 9 4.929 1.676 0.129 0.526 1.000 0.500 CA 0.898 9 residues pruned to eliminate duplicates Z: 56 24.671 2.019 0.571 0.427 0.855 0.491 CB 1.324 56 residues pruned to eliminate duplicates 6 1.457 1.449 0.292 0.143 0.600 0.200 CB 0.902 ? Z: 8 6.822 1.914 0.235 0.484 0.857 0.714 CA 1.293 8 residues pruned to eliminate duplicates Z: 64 25.456 1.977 0.546 0.398 0.857 0.492 CB 1.364 64 residues pruned to eliminate duplicates Z: 29 14.880 1.927 0.390 0.378 0.893 0.536 CA 1.339 29 residues pruned to eliminate duplicates Z: 121 40.948 2.010 0.672 0.434 0.883 0.467 CB 1.348 121 residues pruned to eliminate duplicates Z: 71 36.738 2.064 0.681 0.509 0.929 0.471 CB 1.350 58 residues pruned to eliminate duplicates Z: 8 5.426 1.663 0.553 0.525 1.000 0.571 CA 0.775 Z: 12 11.408 1.786 0.640 0.600 0.909 0.364 CA 1.175 20 residues pruned to eliminate duplicates Z: 26 14.967 1.909 0.553 0.383 0.880 0.440 CB 1.300 26 residues pruned to eliminate duplicates Z: 46 21.368 2.037 0.454 0.418 0.867 0.356 CB 1.352 46 residues pruned to eliminate duplicates Z: 55 22.112 1.962 0.423 0.388 0.926 0.444 CB 1.310 55 residues pruned to eliminate duplicates Z: 36 14.734 1.796 0.548 0.381 0.857 0.429 CB 1.185 36 residues pruned to eliminate duplicates Z: 60 24.718 2.029 0.439 0.409 0.881 0.424 CB 1.375 60 residues pruned to eliminate duplicates Z: 55 25.432 2.030 0.526 0.415 0.889 0.556 CB 1.373 55 residues pruned to eliminate duplicates Z: 25 13.700 1.882 0.498 0.385 0.833 0.375 CB 1.346 25 residues pruned to eliminate duplicates Z: 34 17.844 1.944 0.450 0.375 0.909 0.394 CB 1.386 34 residues pruned to eliminate duplicates Z: 73 28.552 2.005 0.562 0.416 0.875 0.500 CB 1.340 73 residues pruned to eliminate duplicates Z: 58 25.847 2.023 0.423 0.402 0.912 0.509 CB 1.445 58 residues pruned to eliminate duplicates Z: 60 26.412 2.038 0.454 0.427 0.915 0.576 CB 1.367 60 residues pruned to eliminate duplicates Z: 60 24.093 1.980 0.462 0.473 0.881 0.441 CB 1.263 60 residues pruned to eliminate duplicates Z: 39 21.355 2.042 0.450 0.421 0.895 0.526 CB 1.419 39 residues pruned to eliminate duplicates Z: 15 9.713 1.747 0.744 0.469 0.857 0.214 CB 1.026 15 residues pruned to eliminate duplicates Z: 12 12.048 1.854 0.671 0.662 0.818 0.364 CB 1.233 12 residues pruned to eliminate duplicates Z: 10 12.321 2.022 0.783 0.477 1.000 0.444 CB 1.166 10 residues pruned to eliminate duplicates Z: 9 9.575 1.982 0.682 0.488 0.750 0.500 CA 1.370 9 residues pruned to eliminate duplicates Z: 10 12.204 1.998 0.711 0.521 0.778 0.444 CB 1.499 10 residues pruned to eliminate duplicates Z: 10 9.548 1.789 0.756 0.478 0.778 0.556 CB 1.331 10 residues pruned to eliminate duplicates Z: 42 23.906 1.912 0.507 0.583 0.854 0.561 CB 1.401 42 residues pruned to eliminate duplicates Z: 12 11.356 1.880 0.566 0.454 0.818 0.364 CA 1.490 12 residues pruned to eliminate duplicates Z: 31 21.795 1.862 0.704 0.631 0.833 0.433 CB 1.330 31 residues pruned to eliminate duplicates Z: 17 12.815 1.885 0.529 0.430 0.812 0.375 CB 1.471 17 residues pruned to eliminate duplicates Z: 73 25.214 1.839 0.547 0.482 0.875 0.458 CB 1.215 73 residues pruned to eliminate duplicates Z: 42 22.953 1.869 0.658 0.567 0.829 0.488 CB 1.307 42 residues pruned to eliminate duplicates Z: 64 31.173 1.850 0.560 0.611 0.905 0.556 CA 1.354 64 residues pruned to eliminate duplicates Z: 15 5.494 1.610 0.285 0.277 0.857 0.143 CB 1.066 15 residues pruned to eliminate duplicates Z: 8 5.034 1.763 0.122 0.477 0.714 0.286 CB 1.378 8 residues pruned to eliminate duplicates Z: 24 9.037 1.637 0.480 0.439 0.696 0.304 CB 1.190 24 residues pruned to eliminate duplicates Z: 12 4.562 1.723 0.213 0.435 0.727 0.182 CB 0.968 12 residues pruned to eliminate duplicates Z: 18 10.145 1.712 0.477 0.598 0.824 0.353 CB 1.075 18 residues pruned to eliminate duplicates Z: 13 6.462 1.692 0.321 0.544 0.750 0.333 CB 1.066 13 residues pruned to eliminate duplicates Z: 31 22.542 1.869 0.638 0.679 0.933 0.667 CB 1.221 31 residues pruned to eliminate duplicates Z: 63 30.265 1.813 0.598 0.633 0.903 0.645 CB 1.297 63 residues pruned to eliminate duplicates Z: 26 18.577 1.764 0.665 0.630 0.960 0.520 CB 1.166 26 residues pruned to eliminate duplicates Z: 33 17.597 1.767 0.685 0.596 0.812 0.562 CB 1.174 33 residues pruned to eliminate duplicates Z: 31 20.151 1.790 0.742 0.653 0.967 0.633 CB 1.059 31 residues pruned to eliminate duplicates Z: 65 29.578 1.836 0.611 0.576 0.922 0.531 CB 1.259 65 residues pruned to eliminate duplicates Z: 16 22.239 1.986 0.888 0.707 0.933 0.733 CB 1.359 16 residues pruned to eliminate duplicates Z: 66 29.921 1.813 0.560 0.626 0.938 0.554 CB 1.241 66 residues pruned to eliminate duplicates Z: 26 21.925 1.885 0.452 0.751 1.000 0.720 CB 1.281 26 residues pruned to eliminate duplicates Z: 52 28.145 1.816 0.600 0.673 0.922 0.608 CB 1.254 52 residues pruned to eliminate duplicates Z: 60 26.514 1.799 0.511 0.608 0.881 0.593 CA 1.300 60 residues pruned to eliminate duplicates Z: 47 28.128 1.893 0.511 0.663 0.935 0.543 CB 1.333 47 residues pruned to eliminate duplicates Z: 57 26.258 1.832 0.438 0.569 0.911 0.429 CB 1.368 57 residues pruned to eliminate duplicates Z: 35 23.248 1.908 0.466 0.617 0.912 0.529 CA 1.399 35 residues pruned to eliminate duplicates Z: 20 16.627 1.903 0.770 0.579 0.789 0.684 CB 1.329 20 residues pruned to eliminate duplicates Z: 68 28.075 1.794 0.614 0.624 0.866 0.478 CB 1.218 68 residues pruned to eliminate duplicates Z: 65 30.166 1.808 0.632 0.581 0.922 0.516 CB 1.283 65 residues pruned to eliminate duplicates Z: 45 27.779 1.873 0.618 0.580 0.977 0.500 CA 1.309 45 residues pruned to eliminate duplicates Z: 43 22.297 1.785 0.534 0.523 0.905 0.476 CB 1.357 43 residues pruned to eliminate duplicates Z: 50 21.672 1.797 0.477 0.508 0.898 0.367 CA 1.289 50 residues pruned to eliminate duplicates Z: 44 24.386 1.837 0.509 0.557 0.953 0.535 CB 1.331 44 residues pruned to eliminate duplicates Z: 12 3.168 1.526 0.113 0.215 0.727 0.273 CA 1.082 12 residues pruned to eliminate duplicates Z: 36 18.760 1.825 0.598 0.504 0.886 0.486 CA 1.222 36 residues pruned to eliminate duplicates Z: 23 19.176 1.905 0.784 0.510 0.909 0.455 CA 1.310 23 residues pruned to eliminate duplicates Z: 54 28.750 1.857 0.671 0.563 0.906 0.566 CB 1.322 54 residues pruned to eliminate duplicates Z: 46 23.275 1.838 0.609 0.509 0.911 0.556 CB 1.276 46 residues pruned to eliminate duplicates Z: 24 14.528 1.825 0.501 0.582 0.826 0.609 CA 1.237 24 residues pruned to eliminate duplicates Z: 71 30.906 1.812 0.590 0.596 0.929 0.486 CB 1.260 71 residues pruned to eliminate duplicates Z: 28 15.736 1.816 0.481 0.555 0.815 0.630 CA 1.310 28 residues pruned to eliminate duplicates Z: 66 31.751 1.814 0.612 0.587 0.969 0.646 CB 1.278 66 residues pruned to eliminate duplicates Z: 34 21.033 1.872 0.558 0.554 0.879 0.485 CB 1.355 34 residues pruned to eliminate duplicates Z: 27 12.422 1.774 0.416 0.499 0.808 0.385 CB 1.202 27 residues pruned to eliminate duplicates Z: 40 18.057 1.822 0.515 0.454 0.897 0.359 CA 1.223 40 residues pruned to eliminate duplicates Z: 24 15.369 1.792 0.550 0.574 0.870 0.261 CA 1.236 24 residues pruned to eliminate duplicates Z: 73 30.136 1.823 0.660 0.536 0.889 0.514 CB 1.275 73 residues pruned to eliminate duplicates Z: 25 14.746 1.745 0.581 0.559 0.917 0.250 CA 1.124 25 residues pruned to eliminate duplicates Z: 14 8.823 1.692 0.573 0.513 0.769 0.308 CA 1.180 14 residues pruned to eliminate duplicates Z: 31 16.296 1.723 0.566 0.499 0.867 0.500 CA 1.273 31 residues pruned to eliminate duplicates Z: 33 15.975 1.714 0.414 0.606 0.906 0.625 CB 1.163 33 residues pruned to eliminate duplicates Z: 47 22.343 1.751 0.599 0.527 0.935 0.500 CB 1.226 47 residues pruned to eliminate duplicates Z: 30 16.519 1.762 0.498 0.502 0.862 0.414 CA 1.346 30 residues pruned to eliminate duplicates Z: 29 16.727 1.801 0.385 0.567 0.893 0.607 CA 1.331 29 residues pruned to eliminate duplicates Z: 35 19.995 1.883 0.469 0.503 0.971 0.529 CA 1.273 35 residues pruned to eliminate duplicates Z: 29 10.558 1.659 0.296 0.354 0.857 0.464 CB 1.267 29 residues pruned to eliminate duplicates Z: 32 18.409 1.743 0.426 0.589 0.968 0.516 CB 1.262 32 residues pruned to eliminate duplicates Z: 25 14.750 1.819 0.423 0.557 0.875 0.667 CA 1.258 25 residues pruned to eliminate duplicates Z: 31 15.860 1.762 0.454 0.510 0.900 0.500 CA 1.243 31 residues pruned to eliminate duplicates Z: 58 28.838 1.847 0.566 0.546 0.947 0.596 CA 1.333 58 residues pruned to eliminate duplicates Z: 66 24.746 1.772 0.650 0.481 0.831 0.554 CB 1.287 66 residues pruned to eliminate duplicates Z: 16 8.127 1.562 0.637 0.378 0.933 0.400 CB 1.001 15 residues pruned to eliminate duplicates Z: 7 4.829 1.464 0.950 0.399 1.000 0.667 CA 0.768 7 residues pruned to eliminate duplicates Z: 36 18.825 1.805 0.624 0.509 0.914 0.571 CB 1.177 33 residues pruned to eliminate duplicates Z: 6 3.254 1.335 1.004 0.389 1.000 0.200 CB 0.612 6 residues pruned to eliminate duplicates Z: 23 20.666 1.983 0.583 0.540 1.000 0.591 CB 1.350 23 residues pruned to eliminate duplicates Z: 41 20.128 1.799 0.571 0.493 0.900 0.625 CB 1.260 50 residues pruned to eliminate duplicates Z: 6 5.787 1.632 0.558 0.425 1.000 1.000 CA 1.101 6 residues pruned to eliminate duplicates Z: 19 22.533 2.004 0.754 0.626 1.000 0.722 CB 1.342 19 residues pruned to eliminate duplicates Z: 43 19.480 1.946 0.534 0.487 0.881 0.690 CB 1.158 43 residues pruned to eliminate duplicates Z: 46 22.074 1.926 0.617 0.439 0.889 0.600 CB 1.266 46 residues pruned to eliminate duplicates Z: 12 17.251 1.953 0.573 0.733 1.000 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 21 19.350 1.968 0.694 0.602 0.950 0.650 CA 1.239 21 residues pruned to eliminate duplicates Z: 24 24.898 2.006 0.695 0.591 1.000 0.739 CA 1.399 24 residues pruned to eliminate duplicates Z: 25 22.456 1.939 0.656 0.618 1.000 0.708 CA 1.278 25 residues pruned to eliminate duplicates Z: 24 14.765 1.917 0.624 0.476 0.870 0.522 CB 1.165 24 residues pruned to eliminate duplicates Z: 13 10.392 1.760 0.918 0.620 0.833 0.250 CB 0.953 Z: 8 9.263 1.894 1.016 0.357 1.000 0.714 CA 1.070 4 residues pruned to eliminate duplicates Z: 7 5.513 1.888 0.872 0.191 1.000 0.333 CA 0.922 7 residues pruned to eliminate duplicates Z: 10 9.179 1.982 0.502 0.388 1.000 0.556 CB 1.158 7 residues pruned to eliminate duplicates Z: 6 4.729 1.748 0.585 0.377 1.000 0.400 CA 0.871 6 residues pruned to eliminate duplicates Z: 11 8.163 1.916 0.811 0.336 0.900 0.600 CB 0.989 11 residues pruned to eliminate duplicates Z: 13 11.002 1.719 0.389 0.838 1.000 0.667 CB 0.994 13 residues pruned to eliminate duplicates Z: 12 9.948 1.764 0.337 0.817 1.000 0.545 CB 0.965 12 residues pruned to eliminate duplicates Z: 12 10.896 1.707 0.754 0.919 1.000 0.455 CB 0.773 12 residues pruned to eliminate duplicates Z: 14 7.950 1.600 0.433 0.760 0.923 0.615 CB 0.827 14 residues pruned to eliminate duplicates Z: 12 9.740 1.770 0.499 0.811 0.909 0.545 CB 0.929 12 residues pruned to eliminate duplicates Z: 14 13.024 1.694 0.883 0.859 1.000 0.615 CB 0.833 14 residues pruned to eliminate duplicates Z: 15 8.784 1.609 0.732 0.617 0.929 0.357 CB 0.812 15 residues pruned to eliminate duplicates Z: 12 12.407 1.773 0.903 0.830 1.000 0.455 CB 0.834 12 residues pruned to eliminate duplicates Z: 12 13.066 1.779 0.891 0.844 1.000 0.727 CB 0.871 13 residues pruned to eliminate duplicates Z: 14 14.830 1.702 0.950 0.892 1.000 0.538 CB 0.890 14 residues pruned to eliminate duplicates Z: 14 11.931 1.685 0.764 0.912 0.923 0.692 CB 0.854 14 residues pruned to eliminate duplicates Z: 7 4.236 1.492 0.285 0.630 0.833 0.500 CB 0.958 7 residues pruned to eliminate duplicates Z: 16 13.371 1.551 0.733 0.851 1.000 0.667 CB 0.951 16 residues pruned to eliminate duplicates Z: 6 3.828 1.726 0.351 0.197 1.000 0.600 CA 1.052 6 residues pruned to eliminate duplicates Z: 23 15.523 1.938 0.612 0.472 0.773 0.545 CB 1.410 23 residues pruned to eliminate duplicates Z: 27 19.663 2.040 0.731 0.415 0.808 0.538 CB 1.479 27 residues pruned to eliminate duplicates Z: 18 18.856 2.061 0.462 0.534 0.941 0.824 CA 1.560 18 residues pruned to eliminate duplicates Z: 20 16.841 1.996 0.268 0.533 0.947 0.632 CA 1.560 20 residues pruned to eliminate duplicates Z: 25 12.878 1.930 0.351 0.393 0.792 0.625 CB 1.427 25 residues pruned to eliminate duplicates Z: 11 9.610 2.047 0.145 0.393 1.000 0.700 CA 1.452 11 residues pruned to eliminate duplicates Z: 18 16.590 2.036 0.628 0.546 0.824 0.647 CB 1.409 18 residues pruned to eliminate duplicates Z: 26 19.784 2.021 0.564 0.496 0.840 0.600 CA 1.496 26 residues pruned to eliminate duplicates Z: 28 24.899 2.056 0.754 0.473 0.963 0.630 CB 1.417 26 residues pruned to eliminate duplicates Z: 8 3.507 1.492 0.231 0.270 0.857 0.429 CB 1.093 8 residues pruned to eliminate duplicates Z: 20 15.060 2.026 0.559 0.397 0.947 0.368 CB 1.286 20 residues pruned to eliminate duplicates Z: 25 20.197 2.071 0.683 0.419 0.833 0.583 CB 1.544 25 residues pruned to eliminate duplicates Z: 26 29.396 2.097 0.679 0.556 0.960 0.680 CA 1.647 26 residues pruned to eliminate duplicates Z: 14 9.076 1.875 0.309 0.333 0.923 0.385 CB 1.334 14 residues pruned to eliminate duplicates Z: 75 40.905 2.066 0.637 0.578 0.919 0.662 CB 1.420 75 residues pruned to eliminate duplicates Z: 33 25.475 2.112 0.664 0.450 0.875 0.500 CA 1.541 33 residues pruned to eliminate duplicates Z: 86 37.611 2.017 0.612 0.511 0.918 0.541 CB 1.353 84 residues pruned to eliminate duplicates Z: 6 4.251 1.645 0.530 0.220 1.000 0.400 CB 1.048 6 residues pruned to eliminate duplicates Z: 30 26.400 2.193 0.521 0.587 0.931 0.690 CB 1.451 30 residues pruned to eliminate duplicates Z: 34 27.243 2.116 0.719 0.470 0.879 0.545 CA 1.530 34 residues pruned to eliminate duplicates Z: 59 30.605 2.032 0.510 0.565 0.948 0.534 CB 1.297 59 residues pruned to eliminate duplicates Z: 50 28.975 1.970 0.770 0.471 0.878 0.531 CB 1.393 50 residues pruned to eliminate duplicates Z: 28 31.647 2.197 0.778 0.625 0.963 0.556 CB 1.440 28 residues pruned to eliminate duplicates Z: 47 39.052 2.175 0.688 0.584 0.913 0.543 CB 1.585 51 residues pruned to eliminate duplicates Z: 16 29.821 2.203 1.006 0.791 0.933 0.600 CA 1.446 16 residues pruned to eliminate duplicates Z: 42 30.304 2.074 0.541 0.654 0.927 0.659 CB 1.385 42 residues pruned to eliminate duplicates Z: 67 33.822 2.032 0.584 0.546 0.924 0.561 CB 1.338 67 residues pruned to eliminate duplicates Z: 65 38.305 2.078 0.625 0.531 0.953 0.547 CB 1.442 65 residues pruned to eliminate duplicates Z: 70 37.236 2.067 0.645 0.540 0.913 0.551 CB 1.388 70 residues pruned to eliminate duplicates Z: 77 40.303 2.084 0.611 0.589 0.895 0.566 CB 1.412 77 residues pruned to eliminate duplicates Z: 51 36.477 2.125 0.693 0.554 0.920 0.520 CB 1.478 51 residues pruned to eliminate duplicates Z: 46 41.572 2.166 0.840 0.588 0.911 0.578 CA 1.568 46 residues pruned to eliminate duplicates Z: 28 33.436 2.191 0.754 0.632 0.963 0.519 CB 1.536 28 residues pruned to eliminate duplicates Z: 31 33.777 2.203 0.884 0.598 0.867 0.533 CB 1.561 31 residues pruned to eliminate duplicates Z: 39 38.849 2.218 0.895 0.560 0.895 0.526 CB 1.580 39 residues pruned to eliminate duplicates Z: 63 32.675 2.024 0.644 0.478 0.871 0.484 CB 1.464 63 residues pruned to eliminate duplicates Z: 60 34.747 2.045 0.633 0.571 0.932 0.559 CB 1.357 60 residues pruned to eliminate duplicates Z: 43 27.033 2.029 0.622 0.670 0.833 0.548 CB 1.301 43 residues pruned to eliminate duplicates Z: 74 40.273 2.058 0.586 0.580 0.945 0.589 CB 1.414 74 residues pruned to eliminate duplicates Z: 34 27.007 2.080 0.652 0.703 0.818 0.485 CB 1.390 34 residues pruned to eliminate duplicates Z: 36 20.444 1.928 0.584 0.566 0.886 0.686 CB 1.199 36 residues pruned to eliminate duplicates Z: 61 32.270 2.066 0.558 0.564 0.850 0.550 CB 1.430 61 residues pruned to eliminate duplicates Z: 34 32.904 2.093 0.772 0.725 0.909 0.485 CB 1.386 34 residues pruned to eliminate duplicates Z: 17 12.637 1.895 0.433 0.570 1.000 0.625 CB 1.088 17 residues pruned to eliminate duplicates Z: 90 41.073 1.993 0.744 0.515 0.888 0.562 CB 1.391 82 residues pruned to eliminate duplicates Z: 6 2.188 1.497 0.215 0.199 0.800 0.400 C 0.962 6 residues pruned to eliminate duplicates Z: 11 10.419 1.820 0.832 0.490 0.800 0.500 CA 1.248 11 residues pruned to eliminate duplicates Z: 49 23.991 1.984 0.676 0.436 0.875 0.521 CB 1.271 75 residues pruned to eliminate duplicates Z: 6 3.406 1.388 0.599 0.241 1.000 0.600 CA 0.926 6 residues pruned to eliminate duplicates Z: 32 15.790 2.015 0.583 0.374 0.806 0.484 CB 1.262 32 residues pruned to eliminate duplicates Z: 39 21.829 2.028 0.609 0.441 0.895 0.579 CB 1.288 39 residues pruned to eliminate duplicates Z: 37 18.283 2.028 0.550 0.400 0.806 0.556 CB 1.337 37 residues pruned to eliminate duplicates Z: 38 17.650 2.014 0.388 0.458 0.865 0.568 CB 1.253 38 residues pruned to eliminate duplicates Z: 36 20.852 2.073 0.461 0.439 0.886 0.600 CB 1.399 36 residues pruned to eliminate duplicates Z: 38 21.531 2.039 0.548 0.434 0.919 0.595 CB 1.307 38 residues pruned to eliminate duplicates Z: 38 21.121 2.061 0.536 0.424 0.892 0.568 CB 1.331 48 residues pruned to eliminate duplicates Z: 6 2.662 1.514 0.706 0.297 0.600 0.400 CA 0.964 6 residues pruned to eliminate duplicates Z: 32 19.689 2.074 0.406 0.411 0.903 0.548 CA 1.475 32 residues pruned to eliminate duplicates Z: 38 20.603 2.022 0.487 0.447 0.919 0.514 CB 1.295 38 residues pruned to eliminate duplicates Z: 6 2.366 1.618 0.167 0.104 1.000 0.400 N 0.927 6 residues pruned to eliminate duplicates Z: 38 23.420 2.021 0.672 0.460 0.919 0.568 CB 1.292 37 residues pruned to eliminate duplicates Z: 7 9.903 1.798 0.851 0.492 1.000 0.667 CB 1.224 7 residues pruned to eliminate duplicates Z: 26 10.171 1.792 0.450 0.287 0.840 0.400 CB 1.184 28 residues pruned to eliminate duplicates Z: 6 8.314 1.878 0.801 0.723 0.800 0.400 CB 1.124 6 residues pruned to eliminate duplicates Z: 19 11.304 1.901 0.658 0.334 0.889 0.333 CB 1.140 19 residues pruned to eliminate duplicates Z: 12 12.734 1.875 0.696 0.443 1.000 0.364 CB 1.280 11 residues pruned to eliminate duplicates Z: 12 8.703 1.715 0.717 0.517 1.000 0.455 CB 0.876 12 residues pruned to eliminate duplicates Z: 18 11.343 1.896 0.317 0.378 0.941 0.529 CA 1.333 18 residues pruned to eliminate duplicates Z: 10 5.295 1.617 0.265 0.428 0.778 0.444 CA 1.195 Z: 8 5.270 1.500 0.566 0.591 0.714 0.143 CB 1.088 8 residues pruned to eliminate duplicates Z: 6 5.762 1.621 0.172 0.749 1.000 0.600 CA 1.086 6 residues pruned to eliminate duplicates Z: 6 6.047 1.628 0.249 0.716 1.000 0.600 CA 1.093 6 residues pruned to eliminate duplicates Z: 49 20.908 1.946 0.568 0.361 0.896 0.479 CB 1.282 53 residues pruned to eliminate duplicates Z: 6 5.590 1.632 0.298 0.646 1.000 0.600 CA 1.030 6 residues pruned to eliminate duplicates Z: 26 13.206 1.757 0.533 0.370 0.920 0.400 CB 1.225 26 residues pruned to eliminate duplicates Z: 58 19.744 1.932 0.473 0.371 0.825 0.509 CB 1.279 58 residues pruned to eliminate duplicates Z: 25 12.336 1.765 0.435 0.414 0.875 0.542 CB 1.243 43 residues pruned to eliminate duplicates Z: 11 6.754 1.479 0.630 0.383 0.900 0.500 CB 1.115 11 residues pruned to eliminate duplicates Z: 21 11.795 1.758 0.461 0.383 0.900 0.350 CB 1.293 21 residues pruned to eliminate duplicates Z: 54 23.721 1.885 0.639 0.381 0.925 0.547 CB 1.295 54 residues pruned to eliminate duplicates Z: 40 15.356 1.839 0.428 0.365 0.897 0.462 CB 1.206 40 residues pruned to eliminate duplicates Z: 32 17.276 1.849 0.547 0.462 0.903 0.484 CB 1.248 32 residues pruned to eliminate duplicates Z: 27 10.969 1.718 0.429 0.441 0.846 0.423 CB 1.100 27 residues pruned to eliminate duplicates Z: 14 10.185 1.725 0.522 0.503 0.923 0.385 CB 1.163 14 residues pruned to eliminate duplicates Z: 42 13.271 1.769 0.345 0.348 0.878 0.439 CB 1.169 42 residues pruned to eliminate duplicates Z: 21 9.489 1.716 0.289 0.443 0.900 0.500 CB 1.130 22 residues pruned to eliminate duplicates Z: 8 3.595 1.627 0.369 0.458 0.714 0.714 CB 0.891 8 residues pruned to eliminate duplicates Z: 11 8.224 1.873 0.528 0.454 0.800 0.500 CB 1.190 11 residues pruned to eliminate duplicates Z: 35 13.716 1.728 0.487 0.455 0.824 0.618 CB 1.164 35 residues pruned to eliminate duplicates Z: 21 11.881 1.787 0.442 0.533 0.900 0.550 CB 1.109 21 residues pruned to eliminate duplicates Z: 35 14.324 1.716 0.431 0.444 0.912 0.588 CB 1.163 35 residues pruned to eliminate duplicates Z: 11 6.751 1.583 0.287 0.531 0.900 0.600 CB 1.128 11 residues pruned to eliminate duplicates Z: 22 12.375 1.710 0.508 0.488 0.952 0.524 CB 1.113 22 residues pruned to eliminate duplicates Z: 9 7.011 1.647 0.186 0.654 1.000 0.750 CB 1.100 9 residues pruned to eliminate duplicates Z: 10 6.707 1.673 0.247 0.628 0.889 0.667 CB 1.069 10 residues pruned to eliminate duplicates Z: 8 9.712 1.699 0.369 0.730 1.000 0.857 CB 1.283 8 residues pruned to eliminate duplicates Z: 12 8.201 1.606 0.278 0.560 1.000 0.727 CB 1.137 12 residues pruned to eliminate duplicates Z: 30 15.027 1.741 0.491 0.550 0.862 0.759 CB 1.188 30 residues pruned to eliminate duplicates Z: 16 12.733 1.677 0.450 0.738 0.933 0.933 CB 1.171 16 residues pruned to eliminate duplicates Z: 16 14.081 1.657 0.397 0.718 1.000 0.800 CA 1.289 16 residues pruned to eliminate duplicates Z: 17 10.776 1.598 0.605 0.459 0.875 0.688 CB 1.252 21 residues pruned to eliminate duplicates Z: 15 16.720 1.676 0.455 0.873 1.000 0.857 CB 1.334 15 residues pruned to eliminate duplicates Z: 9 6.041 1.485 0.404 0.558 0.875 0.750 N 1.106 9 residues pruned to eliminate duplicates Z: 21 7.841 1.470 0.360 0.487 0.850 0.550 CB 1.046 21 residues pruned to eliminate duplicates Z: 7 9.221 1.631 0.505 0.704 1.000 0.667 N 1.274 7 residues pruned to eliminate duplicates Z: 11 3.667 1.562 0.447 0.296 0.800 0.600 CB 0.805 11 residues pruned to eliminate duplicates Z: 6 7.546 1.548 1.127 0.601 0.800 0.800 CB 1.163 6 residues pruned to eliminate duplicates Z: 15 9.496 1.637 0.527 0.535 0.929 0.571 CB 1.057 15 residues pruned to eliminate duplicates Z: 20 6.750 1.540 0.412 0.399 0.842 0.421 CB 0.941 13 residues pruned to eliminate duplicates 553 residues left after pruning, divided into chains as follows: A: 12 B: 11 C: 6 D: 55 E: 11 F: 13 G: 175 H: 102 I: 17 J: 14 K: 137 CC for partial structure against native data = 39.10 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.423, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.490, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.589, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.597, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.599, Connect. = 0.759 for dens.mod. cycle 6 = 0.300, Contrast = 0.603, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.605, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.608, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.609, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4126 peaks > 0.5 sigma used to seed fragment search Space for about 812 unique residues taking solvent into account 779 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 38.520 2.346 1.242 0.932 1.000 0.727 CA 1.543 B: 13 33.475 2.308 0.986 0.903 0.917 0.667 CA 1.639 13 residues pruned to eliminate duplicates C: 18 16.490 2.111 0.613 0.502 0.882 0.706 CA 1.328 D: 20 14.633 1.998 0.378 0.430 0.895 0.579 CA 1.465 E: 16 20.598 2.055 0.553 0.561 1.000 0.733 CA 1.570 20 residues pruned to eliminate duplicates F: 12 36.003 2.324 1.089 0.929 1.000 0.545 CA 1.565 12 residues pruned to eliminate duplicates G: 12 31.811 2.339 0.840 0.918 0.909 0.636 CB 1.729 11 residues pruned to eliminate duplicates H: 19 20.421 1.993 0.610 0.883 0.944 0.833 CB 1.148 I: 13 23.990 2.169 0.990 0.893 0.917 0.417 CA 1.257 J: 20 17.168 1.950 0.542 0.467 0.895 0.684 CA 1.514 13 residues pruned to eliminate duplicates K: 13 24.763 2.229 0.855 0.915 0.917 0.750 CA 1.333 13 residues pruned to eliminate duplicates L: 12 15.147 2.165 0.559 0.558 0.909 0.727 CA 1.406 12 residues pruned to eliminate duplicates M: 20 36.387 2.223 0.815 0.926 1.000 0.737 CA 1.451 N: 12 11.891 2.161 0.692 0.444 0.818 0.636 CB 1.269 12 residues pruned to eliminate duplicates O: 44 39.146 2.085 0.742 0.647 0.930 0.651 CB 1.540 39 residues pruned to eliminate duplicates P: 20 26.643 2.134 0.646 0.849 0.947 0.632 CA 1.361 20 residues pruned to eliminate duplicates Q: 6 13.476 1.899 0.674 0.659 1.000 0.600 CA 1.635 6 residues pruned to eliminate duplicates R: 9 15.992 2.272 0.558 0.891 0.875 0.625 CA 1.313 9 residues pruned to eliminate duplicates S: 15 21.319 2.032 0.913 0.945 1.000 0.857 CB 1.014 T: 19 39.961 2.306 0.902 0.912 0.944 0.722 CB 1.610 19 residues pruned to eliminate duplicates U: 12 16.026 2.162 0.498 0.920 1.000 1.000 CB 1.050 V: 22 16.899 1.996 0.684 0.368 0.857 0.429 CA 1.475 22 residues pruned to eliminate duplicates W: 18 12.955 1.920 0.638 0.374 0.882 0.529 CB 1.296 10 residues pruned to eliminate duplicates X: 55 37.030 1.968 0.663 0.717 0.889 0.500 CA 1.424 15 residues pruned to eliminate duplicates Y: 21 14.394 1.988 0.514 0.461 0.850 0.650 CB 1.309 21 residues pruned to eliminate duplicates Z: 20 46.704 2.256 1.164 0.924 1.000 0.684 CB 1.542 20 residues pruned to eliminate duplicates Z: 20 28.270 2.196 0.641 0.865 0.947 0.842 CA 1.392 20 residues pruned to eliminate duplicates Z: 14 24.376 2.092 0.712 0.917 0.846 0.692 CB 1.574 14 residues pruned to eliminate duplicates Z: 13 7.708 1.932 0.571 0.382 0.833 0.500 CB 0.997 Z: 19 20.345 2.009 0.630 0.891 0.944 0.889 CB 1.115 19 residues pruned to eliminate duplicates Z: 13 15.586 2.119 0.471 0.919 0.917 0.833 CB 1.110 12 residues pruned to eliminate duplicates Z: 20 28.468 1.976 0.676 0.890 1.000 0.789 CA 1.418 20 residues pruned to eliminate duplicates Z: 19 38.514 2.204 1.012 0.922 0.889 0.667 CB 1.620 19 residues pruned to eliminate duplicates Z: 6 7.275 1.837 0.551 0.713 1.000 0.400 CB 0.942 Z: 19 26.012 2.100 0.711 0.562 1.000 0.500 CA 1.606 17 residues pruned to eliminate duplicates Z: 13 29.681 2.253 0.900 0.921 1.000 0.917 CA 1.409 13 residues pruned to eliminate duplicates Z: 13 26.767 2.157 0.794 0.909 0.917 0.417 CA 1.547 13 residues pruned to eliminate duplicates Z: 20 27.770 2.041 0.561 0.883 0.947 0.789 CA 1.526 20 residues pruned to eliminate duplicates Z: 18 20.390 2.091 0.329 0.827 1.000 0.824 CB 1.341 18 residues pruned to eliminate duplicates Z: 18 19.131 2.119 0.297 0.834 0.941 0.824 CB 1.346 18 residues pruned to eliminate duplicates Z: 26 11.232 1.943 0.228 0.347 0.840 0.440 CB 1.323 6 residues pruned to eliminate duplicates Z: 15 16.544 2.016 0.754 0.936 1.000 0.929 CB 0.871 15 residues pruned to eliminate duplicates Z: 21 31.699 1.997 0.734 0.856 1.000 0.700 CA 1.509 21 residues pruned to eliminate duplicates Z: 33 20.059 2.099 0.552 0.420 0.875 0.562 CB 1.353 26 residues pruned to eliminate duplicates Z: 14 16.575 2.071 0.517 0.924 1.000 0.923 CB 1.028 14 residues pruned to eliminate duplicates Z: 13 17.430 2.125 0.654 0.889 0.917 0.500 CB 1.124 13 residues pruned to eliminate duplicates Z: 18 25.343 2.143 0.879 0.827 0.941 0.765 CB 1.222 19 residues pruned to eliminate duplicates Z: 7 13.848 1.789 0.684 0.771 1.000 0.500 N 1.476 7 residues pruned to eliminate duplicates Z: 75 30.178 2.005 0.538 0.427 0.892 0.514 CB 1.376 13 residues pruned to eliminate duplicates Z: 15 23.878 2.129 0.848 0.857 0.857 0.357 CB 1.395 15 residues pruned to eliminate duplicates Z: 19 29.404 2.136 0.538 0.908 0.944 0.722 CA 1.585 19 residues pruned to eliminate duplicates Z: 16 11.310 1.866 0.312 0.478 0.867 0.667 CA 1.407 16 residues pruned to eliminate duplicates Z: 11 13.894 1.975 0.574 0.850 1.000 0.900 CA 1.046 Z: 14 10.526 1.948 0.270 0.922 0.923 0.769 CB 0.899 14 residues pruned to eliminate duplicates Z: 15 9.014 1.893 0.344 0.501 0.786 0.429 CA 1.205 15 residues pruned to eliminate duplicates Z: 19 45.446 2.252 1.118 0.930 1.000 0.667 CA 1.571 19 residues pruned to eliminate duplicates Z: 20 34.067 2.201 0.796 0.876 1.000 0.737 CA 1.437 20 residues pruned to eliminate duplicates Z: 12 20.810 1.907 1.048 0.870 1.000 0.545 CB 1.173 Z: 9 3.073 1.876 0.766 0.489 0.750 0.375 CB 0.442 Z: 18 12.822 1.862 0.646 0.396 0.824 0.647 CA 1.375 18 residues pruned to eliminate duplicates Z: 14 12.322 1.759 0.425 0.842 0.846 0.615 CA 1.201 14 residues pruned to eliminate duplicates Z: 15 20.352 2.051 1.077 0.899 0.929 0.643 CB 0.983 15 residues pruned to eliminate duplicates Z: 18 28.652 2.075 1.166 0.873 1.000 0.412 CB 1.126 18 residues pruned to eliminate duplicates Z: 13 15.265 1.811 0.531 0.890 1.000 0.833 CA 1.143 15 residues pruned to eliminate duplicates Z: 64 45.942 2.088 0.815 0.647 0.905 0.508 CA 1.472 50 residues pruned to eliminate duplicates Z: 20 27.031 1.991 0.689 0.886 0.947 0.737 CA 1.404 20 residues pruned to eliminate duplicates Z: 48 32.806 2.059 0.604 0.580 0.936 0.638 CA 1.433 34 residues pruned to eliminate duplicates Z: 39 19.056 1.970 0.513 0.432 0.921 0.500 CB 1.208 36 residues pruned to eliminate duplicates Z: 15 14.866 1.987 0.578 0.936 1.000 0.929 CB 0.882 15 residues pruned to eliminate duplicates Z: 19 31.615 2.159 0.657 0.910 0.944 0.667 CA 1.565 19 residues pruned to eliminate duplicates Z: 12 31.212 2.258 0.969 0.911 1.000 0.818 CB 1.500 13 residues pruned to eliminate duplicates Z: 13 19.452 2.202 0.425 0.876 0.917 0.833 CA 1.419 13 residues pruned to eliminate duplicates Z: 14 28.089 2.118 1.009 0.923 1.000 0.769 CA 1.287 13 residues pruned to eliminate duplicates Z: 12 14.963 1.884 0.687 0.874 1.000 0.909 CA 1.033 11 residues pruned to eliminate duplicates Z: 18 18.596 2.007 0.316 0.901 1.000 0.706 CA 1.218 18 residues pruned to eliminate duplicates Z: 41 14.135 1.911 0.419 0.345 0.750 0.525 CB 1.300 41 residues pruned to eliminate duplicates Z: 15 17.082 2.025 0.778 0.921 1.000 0.857 CB 0.892 15 residues pruned to eliminate duplicates Z: 11 17.040 1.987 0.900 0.894 1.000 1.000 CB 1.024 11 residues pruned to eliminate duplicates Z: 11 16.281 1.974 0.547 0.904 0.900 0.900 CA 1.334 11 residues pruned to eliminate duplicates Z: 7 11.666 2.002 0.653 0.874 1.000 0.833 CB 1.048 7 residues pruned to eliminate duplicates Z: 20 25.504 2.092 0.601 0.900 0.947 0.789 CA 1.317 20 residues pruned to eliminate duplicates Z: 9 11.787 1.882 0.487 0.830 1.000 0.625 CA 1.120 9 residues pruned to eliminate duplicates Z: 20 29.641 2.021 0.752 0.877 1.000 0.737 CA 1.395 20 residues pruned to eliminate duplicates Z: 13 21.507 2.227 0.458 0.886 0.917 0.833 CA 1.505 13 residues pruned to eliminate duplicates Z: 15 9.370 1.975 0.504 0.350 0.714 0.429 CA 1.389 9 residues pruned to eliminate duplicates Z: 7 5.057 1.689 0.203 0.585 1.000 0.500 CB 0.937 Z: 14 18.611 2.083 0.681 0.882 0.923 0.923 CA 1.155 14 residues pruned to eliminate duplicates Z: 62 48.898 2.151 0.913 0.652 0.885 0.574 CA 1.491 63 residues pruned to eliminate duplicates Z: 15 11.764 1.748 0.524 0.503 0.857 0.643 CB 1.372 Z: 21 34.048 2.190 0.933 0.870 0.950 0.650 CA 1.381 21 residues pruned to eliminate duplicates Z: 20 21.155 2.132 0.396 0.862 0.947 0.789 CA 1.263 20 residues pruned to eliminate duplicates Z: 19 30.872 2.098 0.638 0.919 1.000 0.778 CA 1.493 19 residues pruned to eliminate duplicates Z: 12 20.137 2.116 0.827 0.913 1.000 0.818 CB 1.112 12 residues pruned to eliminate duplicates Z: 8 6.938 1.873 0.494 0.663 0.714 0.571 CB 1.129 8 residues pruned to eliminate duplicates Z: 11 19.654 1.953 0.785 0.905 1.000 0.900 CA 1.269 11 residues pruned to eliminate duplicates Z: 29 25.111 1.962 0.708 0.750 0.857 0.607 CB 1.322 29 residues pruned to eliminate duplicates Z: 20 35.682 2.145 1.013 0.900 0.947 0.842 CA 1.429 20 residues pruned to eliminate duplicates Z: 13 33.709 2.255 1.318 0.911 0.917 0.583 CA 1.439 13 residues pruned to eliminate duplicates Z: 13 32.590 2.201 1.127 0.886 1.000 0.250 CA 1.450 13 residues pruned to eliminate duplicates Z: 73 28.861 1.946 0.563 0.470 0.889 0.472 CB 1.297 64 residues pruned to eliminate duplicates Z: 35 19.811 2.025 0.403 0.471 0.941 0.529 CB 1.309 34 residues pruned to eliminate duplicates Z: 29 27.744 2.008 0.608 0.659 0.929 0.679 CA 1.508 29 residues pruned to eliminate duplicates Z: 12 39.631 2.332 1.189 0.941 1.000 0.364 CA 1.625 12 residues pruned to eliminate duplicates Z: 12 14.439 1.884 0.499 0.877 1.000 0.727 CA 1.119 12 residues pruned to eliminate duplicates Z: 12 38.272 2.350 1.152 0.931 1.000 0.636 CA 1.595 12 residues pruned to eliminate duplicates Z: 11 20.293 2.002 0.613 0.923 1.000 1.000 CA 1.396 11 residues pruned to eliminate duplicates Z: 17 16.056 1.597 0.517 0.860 1.000 0.938 CB 1.218 Z: 20 36.189 2.195 0.867 0.886 0.947 0.842 CB 1.543 20 residues pruned to eliminate duplicates Z: 17 22.644 1.915 1.213 0.919 1.000 0.375 CB 0.942 16 residues pruned to eliminate duplicates Z: 48 25.212 2.043 0.459 0.487 0.915 0.617 CB 1.366 48 residues pruned to eliminate duplicates Z: 12 8.537 1.965 -0.013 0.908 1.000 1.000 CB 0.942 12 residues pruned to eliminate duplicates Z: 16 24.096 2.097 0.814 0.743 0.933 0.667 CA 1.409 16 residues pruned to eliminate duplicates Z: 14 16.810 2.102 0.306 0.838 1.000 0.692 CA 1.269 13 residues pruned to eliminate duplicates Z: 15 12.604 1.759 0.695 0.493 0.857 0.714 CB 1.327 15 residues pruned to eliminate duplicates Z: 20 36.091 2.206 1.021 0.879 0.895 0.737 CA 1.505 20 residues pruned to eliminate duplicates Z: 7 7.555 2.027 0.351 0.714 0.667 0.333 CB 1.392 7 residues pruned to eliminate duplicates Z: 6 8.080 1.511 1.149 0.786 0.800 0.800 CA 1.082 Z: 18 25.607 2.096 0.529 0.872 1.000 0.765 CA 1.412 18 residues pruned to eliminate duplicates Z: 38 17.028 1.922 0.385 0.389 0.838 0.405 CB 1.412 38 residues pruned to eliminate duplicates Z: 6 7.644 1.714 0.223 0.836 0.800 0.600 N 1.526 6 residues pruned to eliminate duplicates Z: 21 18.808 2.015 0.714 0.383 0.900 0.650 CA 1.532 21 residues pruned to eliminate duplicates Z: 9 6.809 2.044 -0.226 0.900 1.000 1.000 CB 1.087 9 residues pruned to eliminate duplicates Z: 12 20.591 2.220 0.612 0.878 1.000 0.818 CA 1.259 12 residues pruned to eliminate duplicates Z: 11 7.763 1.779 0.882 0.422 0.900 0.700 CA 0.883 Z: 25 17.200 2.008 0.578 0.597 0.875 0.625 CB 1.155 38 residues pruned to eliminate duplicates Z: 14 28.205 2.091 0.996 0.927 1.000 0.846 CA 1.314 14 residues pruned to eliminate duplicates Z: 18 23.224 2.004 0.851 0.870 0.824 0.765 CB 1.346 18 residues pruned to eliminate duplicates Z: 12 20.340 1.871 0.906 0.854 1.000 0.636 CA 1.270 12 residues pruned to eliminate duplicates Z: 25 20.262 1.986 0.617 0.571 0.917 0.708 CB 1.312 25 residues pruned to eliminate duplicates Z: 12 12.325 2.120 0.457 0.496 0.909 0.727 CA 1.328 12 residues pruned to eliminate duplicates Z: 37 18.837 2.049 0.400 0.408 0.889 0.500 CB 1.355 37 residues pruned to eliminate duplicates Z: 8 11.798 2.245 0.424 0.874 1.000 1.000 CB 1.015 Z: 15 19.684 2.025 0.977 0.936 0.929 0.714 CB 0.986 16 residues pruned to eliminate duplicates Z: 15 19.410 1.954 0.787 0.932 1.000 0.929 CB 1.037 15 residues pruned to eliminate duplicates 6 1.856 1.624 -0.164 0.300 0.800 0.600 N 0.955 ? Z: 25 18.888 1.856 0.833 0.556 0.833 0.500 CA 1.288 17 residues pruned to eliminate duplicates Z: 18 17.850 1.742 0.466 0.904 1.000 1.000 CB 1.208 14 residues pruned to eliminate duplicates Z: 7 9.778 1.726 0.642 0.705 1.000 1.000 CB 1.169 Z: 9 10.429 1.852 0.636 0.568 0.875 0.625 CA 1.302 Z: 27 25.534 2.022 0.662 0.538 0.962 0.654 CA 1.492 27 residues pruned to eliminate duplicates Z: 6 7.168 1.978 0.578 0.790 0.600 0.600 CB 1.327 6 residues pruned to eliminate duplicates Z: 13 11.346 1.615 0.706 0.695 0.917 0.917 CB 1.085 Z: 8 9.258 1.804 0.890 0.886 0.857 0.429 CB 0.864 8 residues pruned to eliminate duplicates Z: 26 9.375 1.628 0.493 0.363 0.840 0.640 CB 1.064 15 residues pruned to eliminate duplicates Z: 9 12.887 1.745 0.583 0.865 0.875 0.625 CB 1.382 Z: 6 5.266 2.029 0.193 0.349 1.000 0.600 CA 1.146 6 residues pruned to eliminate duplicates Z: 7 11.099 1.869 0.638 0.653 1.000 0.667 CB 1.283 7 residues pruned to eliminate duplicates Z: 17 14.646 1.979 0.626 0.537 0.812 0.750 CB 1.351 17 residues pruned to eliminate duplicates Z: 19 16.486 2.038 0.495 0.565 0.889 0.778 CB 1.348 19 residues pruned to eliminate duplicates Z: 7 7.696 1.778 0.492 0.732 1.000 0.667 CA 0.961 7 residues pruned to eliminate duplicates Z: 86 31.302 1.895 0.436 0.512 0.906 0.553 CB 1.361 72 residues pruned to eliminate duplicates Z: 26 14.799 1.880 0.414 0.480 0.920 0.600 CB 1.235 11 residues pruned to eliminate duplicates Z: 7 4.735 1.742 0.313 0.740 0.833 0.667 CB 0.818 7 residues pruned to eliminate duplicates Z: 23 20.874 2.124 0.603 0.598 0.955 0.636 CB 1.247 31 residues pruned to eliminate duplicates Z: 13 14.939 2.098 0.561 0.896 1.000 0.667 CB 0.943 13 residues pruned to eliminate duplicates Z: 19 27.705 2.208 0.658 0.868 0.944 0.833 CA 1.381 19 residues pruned to eliminate duplicates Z: 23 23.170 2.072 0.816 0.632 0.909 0.545 CB 1.276 23 residues pruned to eliminate duplicates Z: 16 11.753 1.664 0.136 0.825 0.933 0.800 CB 1.298 16 residues pruned to eliminate duplicates Z: 63 53.370 2.132 0.965 0.689 0.935 0.694 CB 1.454 63 residues pruned to eliminate duplicates Z: 21 25.639 2.169 0.617 0.747 0.950 0.700 CB 1.380 14 residues pruned to eliminate duplicates Z: 26 20.271 1.849 0.712 0.561 0.960 0.680 CB 1.257 26 residues pruned to eliminate duplicates Z: 30 16.893 1.828 0.571 0.513 0.931 0.483 CB 1.158 30 residues pruned to eliminate duplicates Z: 13 11.351 1.789 0.567 0.607 1.000 0.833 CA 1.055 12 residues pruned to eliminate duplicates Z: 20 39.827 2.234 0.947 0.910 1.000 0.737 CA 1.491 20 residues pruned to eliminate duplicates Z: 20 28.170 2.046 0.835 0.878 0.842 0.632 CB 1.484 20 residues pruned to eliminate duplicates Z: 42 26.162 2.009 0.673 0.482 0.878 0.415 CB 1.410 42 residues pruned to eliminate duplicates Z: 11 7.619 1.730 0.521 0.650 0.800 0.500 CB 0.996 11 residues pruned to eliminate duplicates Z: 11 17.298 2.005 0.815 0.905 1.000 0.700 CB 1.070 11 residues pruned to eliminate duplicates Z: 12 16.158 1.938 0.581 0.874 0.909 0.636 CA 1.273 12 residues pruned to eliminate duplicates Z: 13 21.754 2.138 0.729 0.806 0.917 0.500 CA 1.419 13 residues pruned to eliminate duplicates Z: 9 5.247 1.828 0.270 0.352 0.750 0.500 CB 1.250 Z: 9 16.333 1.718 0.682 0.875 1.000 0.375 CB 1.454 9 residues pruned to eliminate duplicates Z: 7 9.788 1.899 0.221 0.708 1.000 0.667 N 1.427 7 residues pruned to eliminate duplicates Z: 38 17.063 2.001 0.355 0.445 0.865 0.568 CB 1.266 38 residues pruned to eliminate duplicates Z: 18 21.920 2.030 0.847 0.843 0.941 0.471 CB 1.122 18 residues pruned to eliminate duplicates Z: 11 17.575 1.977 0.395 0.913 1.000 0.800 CA 1.426 11 residues pruned to eliminate duplicates Z: 14 7.846 1.823 0.066 0.465 0.846 0.462 CA 1.371 14 residues pruned to eliminate duplicates Z: 14 9.910 1.927 0.525 0.446 0.846 0.538 CB 1.169 14 residues pruned to eliminate duplicates Z: 8 3.561 1.574 0.485 0.339 0.857 0.429 CA 0.801 Z: 24 24.942 2.071 0.475 0.729 0.870 0.478 CB 1.592 24 residues pruned to eliminate duplicates Z: 11 11.819 1.757 0.423 0.860 1.000 0.600 CA 1.099 11 residues pruned to eliminate duplicates Z: 13 29.278 2.159 1.097 0.923 1.000 0.667 CB 1.312 13 residues pruned to eliminate duplicates Z: 13 18.520 1.808 0.919 0.913 1.000 0.667 CB 1.090 13 residues pruned to eliminate duplicates Z: 23 19.786 2.020 0.713 0.432 0.909 0.636 CA 1.438 23 residues pruned to eliminate duplicates Z: 17 14.095 1.833 0.322 0.866 0.875 0.750 CB 1.216 17 residues pruned to eliminate duplicates Z: 6 6.269 1.841 0.837 0.488 0.800 0.600 CB 1.049 Z: 7 6.813 1.833 0.116 0.792 1.000 0.833 CB 1.053 Z: 107 38.636 1.910 0.581 0.566 0.887 0.481 CB 1.315 120 residues pruned to eliminate duplicates Z: 13 9.923 1.627 0.670 0.615 0.833 0.833 CA 1.135 Z: 19 27.331 2.066 0.662 0.904 0.944 0.778 CA 1.414 19 residues pruned to eliminate duplicates Z: 19 19.478 1.990 0.519 0.797 0.944 0.611 CA 1.240 19 residues pruned to eliminate duplicates Z: 43 17.612 1.857 0.491 0.462 0.881 0.619 CB 1.157 70 residues pruned to eliminate duplicates Z: 10 21.550 2.086 0.934 0.913 1.000 1.000 CA 1.260 11 residues pruned to eliminate duplicates Z: 36 30.654 2.163 0.652 0.664 0.943 0.514 CB 1.321 45 residues pruned to eliminate duplicates Z: 12 12.068 1.890 0.529 0.886 1.000 0.909 CB 0.908 12 residues pruned to eliminate duplicates Z: 11 8.424 1.667 0.474 0.582 0.800 0.700 CA 1.252 11 residues pruned to eliminate duplicates Z: 12 8.448 1.691 0.201 0.657 0.909 0.727 CB 1.193 Z: 41 32.856 2.022 0.506 0.715 0.950 0.675 CA 1.478 41 residues pruned to eliminate duplicates Z: 8 16.626 1.935 0.721 0.822 1.000 1.000 N 1.427 Z: 6 12.905 2.010 0.785 0.807 1.000 0.800 CB 1.230 6 residues pruned to eliminate duplicates Z: 14 17.079 1.791 0.651 0.901 1.000 0.769 CB 1.144 14 residues pruned to eliminate duplicates Z: 32 22.431 1.977 0.607 0.489 0.903 0.613 CB 1.420 32 residues pruned to eliminate duplicates Z: 12 18.133 1.818 0.972 0.870 1.000 0.636 CA 1.112 12 residues pruned to eliminate duplicates Z: 18 35.157 2.262 0.897 0.936 0.941 0.412 CB 1.470 18 residues pruned to eliminate duplicates Z: 40 34.007 2.033 0.564 0.705 0.949 0.692 CA 1.498 40 residues pruned to eliminate duplicates Z: 9 6.199 1.691 0.557 0.491 0.875 0.750 CB 0.961 Z: 18 16.760 1.767 0.622 0.835 0.941 0.588 CB 1.129 18 residues pruned to eliminate duplicates Z: 25 13.335 1.909 0.493 0.403 0.792 0.625 CA 1.335 19 residues pruned to eliminate duplicates Z: 6 8.668 1.921 0.472 0.859 1.000 0.800 CB 1.009 6 residues pruned to eliminate duplicates Z: 6 7.981 1.927 0.088 0.662 1.000 0.800 CB 1.466 Z: 11 11.429 1.946 0.400 0.863 1.000 0.800 CB 0.973 Z: 57 28.481 2.022 0.537 0.449 0.911 0.482 CB 1.417 57 residues pruned to eliminate duplicates Z: 7 4.393 1.694 0.317 0.423 1.000 0.667 CB 0.871 Z: 6 3.135 1.647 0.007 0.698 0.800 0.400 CA 0.882 4 residues pruned to eliminate duplicates Z: 6 6.851 1.671 0.346 0.633 1.000 0.600 CB 1.202 Z: 31 34.217 2.090 0.888 0.703 0.933 0.500 CA 1.410 30 residues pruned to eliminate duplicates Z: 6 7.214 1.802 0.494 0.808 1.000 0.800 CB 0.916 Z: 6 4.281 1.724 0.418 0.434 0.800 0.600 CB 1.049 Z: 12 5.859 1.697 0.343 0.279 0.818 0.273 CB 1.216 7 residues pruned to eliminate duplicates Z: 16 13.306 1.842 0.419 0.796 0.867 0.533 CA 1.170 16 residues pruned to eliminate duplicates Z: 26 25.133 2.067 0.778 0.557 0.840 0.680 CA 1.541 26 residues pruned to eliminate duplicates Z: 12 11.476 1.781 0.080 0.727 1.000 0.818 CA 1.467 12 residues pruned to eliminate duplicates Z: 6 4.950 1.862 -0.081 0.843 0.800 0.600 CA 1.204 6 residues pruned to eliminate duplicates Z: 14 20.600 1.765 0.678 0.885 1.000 0.769 CB 1.393 16 residues pruned to eliminate duplicates Z: 17 11.829 1.817 0.239 0.850 0.812 0.625 CA 1.197 17 residues pruned to eliminate duplicates Z: 11 7.874 1.544 0.657 0.588 0.900 0.800 CB 0.994 11 residues pruned to eliminate duplicates Z: 10 19.528 2.219 0.862 0.891 1.000 0.556 CB 1.132 8 residues pruned to eliminate duplicates Z: 8 9.889 1.762 0.826 0.874 1.000 0.571 CB 0.846 8 residues pruned to eliminate duplicates Z: 9 11.289 1.752 0.542 0.584 1.000 0.750 CB 1.363 8 residues pruned to eliminate duplicates Z: 15 12.543 1.652 0.404 0.918 1.000 0.857 CB 1.019 Z: 71 42.470 2.130 0.677 0.587 0.957 0.586 CB 1.367 127 residues pruned to eliminate duplicates Z: 12 11.806 1.742 0.487 0.619 0.909 0.818 CA 1.350 12 residues pruned to eliminate duplicates Z: 15 14.698 1.733 0.730 0.897 0.929 0.571 CB 1.010 14 residues pruned to eliminate duplicates Z: 13 14.623 1.995 0.371 0.910 1.000 0.917 CA 1.094 Z: 17 11.141 1.677 0.428 0.490 0.938 0.500 CB 1.254 13 residues pruned to eliminate duplicates Z: 13 8.115 1.742 0.641 0.579 0.833 0.583 CB 0.911 Z: 10 6.208 1.573 0.520 0.413 0.778 0.778 CA 1.219 Z: 24 16.072 1.935 0.527 0.461 0.870 0.478 CB 1.357 24 residues pruned to eliminate duplicates Z: 82 34.928 1.994 0.523 0.551 0.889 0.593 CB 1.368 82 residues pruned to eliminate duplicates Z: 34 21.668 1.830 0.612 0.533 0.939 0.576 CB 1.318 34 residues pruned to eliminate duplicates Z: 8 3.533 1.555 0.154 0.314 0.857 0.571 CB 1.066 8 residues pruned to eliminate duplicates Z: 18 22.286 2.000 0.447 0.887 1.000 0.941 CB 1.347 18 residues pruned to eliminate duplicates Z: 8 10.441 1.598 0.606 0.807 1.000 0.857 CB 1.177 7 residues pruned to eliminate duplicates Z: 11 11.932 1.591 0.693 0.837 0.900 0.800 CA 1.164 11 residues pruned to eliminate duplicates Z: 8 7.538 1.621 0.486 0.571 0.857 0.571 CA 1.289 8 residues pruned to eliminate duplicates Z: 15 14.238 1.809 0.293 0.877 1.000 0.786 CA 1.180 15 residues pruned to eliminate duplicates Z: 11 21.159 1.980 0.952 0.909 0.900 0.400 CA 1.366 11 residues pruned to eliminate duplicates Z: 16 12.778 1.586 0.722 0.891 1.000 0.733 CB 0.868 Z: 18 11.632 2.017 0.421 0.503 0.824 0.529 CB 1.192 18 residues pruned to eliminate duplicates Z: 17 17.344 1.824 0.798 0.658 0.938 0.688 CA 1.218 17 residues pruned to eliminate duplicates Z: 60 26.553 2.001 0.523 0.392 0.898 0.492 CB 1.415 60 residues pruned to eliminate duplicates Z: 19 30.435 2.253 0.504 0.927 1.000 0.889 CA 1.483 19 residues pruned to eliminate duplicates Z: 15 11.560 1.653 0.341 0.934 1.000 0.857 CB 0.972 15 residues pruned to eliminate duplicates Z: 28 17.144 1.931 0.535 0.517 0.926 0.630 CB 1.183 28 residues pruned to eliminate duplicates 6 1.948 1.544 -0.051 0.339 0.600 0.400 CA 1.181 ? Z: 17 13.083 1.552 0.526 0.924 1.000 0.750 CB 0.970 17 residues pruned to eliminate duplicates Z: 18 17.135 1.757 0.662 0.838 0.941 0.471 CB 1.130 18 residues pruned to eliminate duplicates Z: 6 5.556 1.549 -0.008 0.822 1.000 0.600 CB 1.223 Z: 20 31.264 2.196 0.668 0.907 1.000 0.684 CA 1.391 20 residues pruned to eliminate duplicates Z: 10 4.855 1.651 0.437 0.258 0.778 0.222 CA 1.157 10 residues pruned to eliminate duplicates Z: 12 30.409 2.295 0.840 0.917 1.000 1.000 CA 1.533 Z: 20 38.075 2.166 0.970 0.922 0.947 0.474 CA 1.520 20 residues pruned to eliminate duplicates Z: 18 13.083 1.607 0.299 0.811 1.000 0.824 CA 1.159 18 residues pruned to eliminate duplicates Z: 18 22.224 2.046 0.577 0.860 1.000 0.706 CB 1.228 18 residues pruned to eliminate duplicates Z: 9 6.220 1.544 0.221 0.770 1.000 0.750 CB 0.918 9 residues pruned to eliminate duplicates Z: 7 6.759 1.932 0.327 0.482 1.000 0.833 CB 1.096 6 residues pruned to eliminate duplicates Z: 14 6.674 1.741 0.552 0.294 0.692 0.462 N 1.247 6 residues pruned to eliminate duplicates Z: 6 3.599 1.728 -0.140 0.599 0.800 0.600 CB 1.231 Z: 13 17.317 1.816 0.896 0.911 1.000 0.333 CB 1.029 Z: 9 6.868 1.464 0.378 0.743 1.000 0.750 CA 0.968 9 residues pruned to eliminate duplicates Z: 17 8.142 1.648 0.382 0.402 0.938 0.562 CB 1.057 9 residues pruned to eliminate duplicates Z: 56 34.992 1.981 0.649 0.620 0.964 0.655 CB 1.338 37 residues pruned to eliminate duplicates Z: 8 9.347 1.776 0.194 0.854 1.000 0.857 CB 1.231 8 residues pruned to eliminate duplicates Z: 8 7.001 1.694 0.136 0.699 0.857 0.286 CB 1.337 8 residues pruned to eliminate duplicates Z: 20 33.335 2.056 0.756 0.889 1.000 0.737 CA 1.525 20 residues pruned to eliminate duplicates Z: 8 3.730 1.279 0.140 0.673 0.857 0.571 CA 0.962 8 residues pruned to eliminate duplicates Z: 26 14.157 1.997 0.451 0.415 0.840 0.440 CB 1.271 25 residues pruned to eliminate duplicates Z: 44 31.668 2.173 0.647 0.550 0.953 0.535 CB 1.348 57 residues pruned to eliminate duplicates Z: 10 8.517 1.684 0.332 0.673 0.889 0.667 CA 1.214 10 residues pruned to eliminate duplicates Z: 7 3.681 1.723 0.416 0.337 0.833 0.500 CB 0.883 7 residues pruned to eliminate duplicates Z: 17 31.706 2.125 1.157 0.937 1.000 0.625 CB 1.203 17 residues pruned to eliminate duplicates Z: 12 12.596 2.066 0.472 0.920 1.000 1.000 CB 0.879 12 residues pruned to eliminate duplicates Z: 7 7.477 1.566 0.334 0.716 1.000 0.833 N 1.202 7 residues pruned to eliminate duplicates Z: 21 13.222 1.811 0.628 0.519 0.850 0.400 CB 1.157 21 residues pruned to eliminate duplicates Z: 28 13.523 1.963 0.276 0.337 0.926 0.519 CA 1.341 28 residues pruned to eliminate duplicates Z: 6 5.069 1.639 0.264 0.756 0.800 0.400 C 1.089 6 residues pruned to eliminate duplicates Z: 10 4.774 1.520 0.223 0.278 0.889 0.444 CB 1.238 Z: 21 20.468 1.920 0.603 0.593 1.000 0.700 CA 1.361 21 residues pruned to eliminate duplicates Z: 9 7.855 1.638 0.316 0.769 0.875 0.875 CB 1.160 9 residues pruned to eliminate duplicates Z: 16 14.950 1.904 0.796 0.428 0.867 0.600 CB 1.403 16 residues pruned to eliminate duplicates Z: 17 13.987 1.724 0.316 0.821 1.000 0.750 CB 1.167 17 residues pruned to eliminate duplicates Z: 6 4.944 1.834 0.386 0.593 0.800 0.800 CB 0.995 Z: 57 44.551 2.103 0.705 0.723 0.929 0.750 CA 1.462 57 residues pruned to eliminate duplicates Z: 17 12.503 1.628 0.484 0.918 0.938 0.750 CB 0.973 17 residues pruned to eliminate duplicates Z: 11 13.225 1.605 0.766 0.834 0.900 0.600 CA 1.229 11 residues pruned to eliminate duplicates Z: 12 12.762 1.631 0.499 0.817 1.000 1.000 CB 1.195 12 residues pruned to eliminate duplicates Z: 9 5.467 1.274 0.490 0.812 0.875 0.625 CB 0.888 9 residues pruned to eliminate duplicates Z: 13 17.000 1.917 0.496 0.922 1.000 0.917 CB 1.204 13 residues pruned to eliminate duplicates Z: 21 13.942 1.764 0.422 0.676 0.950 0.350 CB 1.112 21 residues pruned to eliminate duplicates Z: 18 18.275 2.067 0.465 0.603 0.941 0.765 CB 1.410 18 residues pruned to eliminate duplicates Z: 14 13.167 1.658 0.402 0.879 0.846 0.846 CB 1.346 14 residues pruned to eliminate duplicates Z: 14 3.224 1.617 0.340 0.346 0.692 0.462 CB 0.705 9 residues pruned to eliminate duplicates Z: 10 9.448 1.783 0.738 0.860 0.778 0.778 CA 0.961 10 residues pruned to eliminate duplicates Z: 35 23.699 1.945 0.620 0.646 0.882 0.588 CB 1.276 35 residues pruned to eliminate duplicates Z: 6 7.798 1.769 0.609 0.698 1.000 0.800 CB 1.023 6 residues pruned to eliminate duplicates Z: 6 5.474 1.375 0.476 0.822 1.000 0.600 CB 0.913 Z: 15 14.882 1.745 0.512 0.943 1.000 1.000 CB 1.045 15 residues pruned to eliminate duplicates Z: 14 24.108 2.111 1.269 0.932 1.000 0.692 CB 0.975 14 residues pruned to eliminate duplicates Z: 12 11.506 1.644 0.722 0.678 0.818 0.727 CB 1.271 13 residues pruned to eliminate duplicates Z: 27 19.371 1.773 0.630 0.563 0.923 0.500 CB 1.340 27 residues pruned to eliminate duplicates Z: 9 8.620 1.750 0.118 0.858 1.000 0.875 CA 1.146 9 residues pruned to eliminate duplicates Z: 40 19.801 1.966 0.446 0.403 0.897 0.436 CB 1.376 40 residues pruned to eliminate duplicates Z: 73 35.297 2.090 0.654 0.513 0.875 0.528 CB 1.357 73 residues pruned to eliminate duplicates Z: 11 12.867 1.617 0.574 0.813 1.000 0.800 CB 1.217 11 residues pruned to eliminate duplicates Z: 7 4.397 1.306 0.265 0.833 1.000 0.833 CB 0.815 6 residues pruned to eliminate duplicates Z: 18 13.241 1.896 -0.032 0.899 1.000 0.882 CA 1.250 18 residues pruned to eliminate duplicates Z: 6 4.463 1.665 0.519 0.547 0.800 0.400 CA 0.942 7 residues pruned to eliminate duplicates Z: 13 11.474 1.691 0.316 0.938 1.000 1.000 CB 1.035 13 residues pruned to eliminate duplicates Z: 11 14.263 1.758 0.900 0.817 0.900 0.600 CA 1.139 11 residues pruned to eliminate duplicates Z: 7 4.201 1.307 0.511 0.565 0.833 0.500 C 0.978 Z: 16 14.264 1.620 0.465 0.854 1.000 0.800 CB 1.146 15 residues pruned to eliminate duplicates Z: 12 15.861 1.840 0.880 0.826 1.000 0.818 CB 1.043 12 residues pruned to eliminate duplicates Z: 18 31.142 2.100 0.989 0.910 0.941 0.706 CB 1.363 18 residues pruned to eliminate duplicates Z: 26 20.980 1.902 0.783 0.709 0.920 0.440 CB 1.112 23 residues pruned to eliminate duplicates Z: 9 5.719 1.448 0.661 0.481 1.000 0.875 CA 0.857 9 residues pruned to eliminate duplicates Z: 6 3.044 1.516 0.194 0.376 0.800 0.600 CA 1.073 Z: 12 14.356 1.880 0.392 0.901 1.000 1.000 CA 1.181 12 residues pruned to eliminate duplicates Z: 10 4.742 1.603 0.601 0.343 0.889 0.333 CB 0.821 10 residues pruned to eliminate duplicates Z: 12 8.901 1.664 0.404 0.910 0.909 0.818 CB 0.896 12 residues pruned to eliminate duplicates Z: 12 5.667 1.602 0.461 0.328 0.818 0.545 CB 1.078 12 residues pruned to eliminate duplicates Z: 10 6.653 1.474 0.186 0.603 1.000 0.778 CB 1.151 Z: 33 19.464 1.957 0.584 0.429 0.875 0.531 CB 1.366 33 residues pruned to eliminate duplicates Z: 11 11.633 1.569 0.465 0.801 1.000 0.600 CA 1.230 11 residues pruned to eliminate duplicates Z: 11 23.425 2.157 1.043 0.895 1.000 0.500 CB 1.204 Z: 16 15.475 1.642 0.462 0.862 1.000 0.800 CA 1.222 16 residues pruned to eliminate duplicates Z: 16 14.111 1.843 0.258 0.840 1.000 0.600 CB 1.173 16 residues pruned to eliminate duplicates Z: 12 5.946 1.765 0.536 0.391 0.818 0.636 CA 0.907 12 residues pruned to eliminate duplicates Z: 11 10.386 1.673 0.810 0.663 0.900 0.900 CB 1.036 11 residues pruned to eliminate duplicates Z: 21 11.505 1.846 0.423 0.429 0.900 0.450 CB 1.172 21 residues pruned to eliminate duplicates Z: 10 3.641 1.575 0.631 0.642 0.778 0.667 CB 0.532 10 residues pruned to eliminate duplicates Z: 6 2.244 1.369 0.244 0.328 0.800 0.400 CB 0.889 6 1.204 1.338 0.248 0.629 0.800 0.600 CB 0.357 ? Z: 12 7.821 2.027 0.388 0.351 0.818 0.636 CB 1.204 12 residues pruned to eliminate duplicates Z: 7 13.344 2.191 0.388 0.852 1.000 0.833 CA 1.325 7 residues pruned to eliminate duplicates Z: 11 11.503 1.811 0.637 0.830 0.800 0.400 CB 1.153 11 residues pruned to eliminate duplicates Z: 17 17.629 1.776 0.467 0.868 1.000 0.812 CB 1.237 17 residues pruned to eliminate duplicates Z: 10 8.270 1.642 0.432 0.610 0.889 0.556 CB 1.188 10 residues pruned to eliminate duplicates Z: 62 47.706 2.139 0.844 0.678 0.902 0.672 CA 1.458 62 residues pruned to eliminate duplicates Z: 10 3.506 1.386 0.204 0.446 0.778 0.444 O 0.952 10 residues pruned to eliminate duplicates Z: 7 4.561 1.394 0.257 0.784 1.000 0.667 CB 0.827 6 residues pruned to eliminate duplicates Z: 7 3.763 1.275 0.339 0.780 1.000 0.833 CB 0.704 7 residues pruned to eliminate duplicates Z: 13 13.628 1.993 0.520 0.596 1.000 0.917 CA 1.185 13 residues pruned to eliminate duplicates Z: 7 8.381 1.669 0.741 0.766 0.833 0.667 CA 1.116 7 residues pruned to eliminate duplicates Z: 16 12.931 1.656 0.368 0.918 1.000 0.933 CB 1.039 16 residues pruned to eliminate duplicates Z: 10 5.382 1.628 0.525 0.376 0.667 0.444 CB 1.237 6 residues pruned to eliminate duplicates Z: 16 12.348 1.676 0.344 0.922 0.933 0.867 CB 1.067 16 residues pruned to eliminate duplicates Z: 8 9.316 1.802 0.935 0.454 0.857 0.857 CB 1.236 Z: 11 19.173 2.012 0.724 0.894 1.000 0.700 CA 1.254 11 residues pruned to eliminate duplicates Z: 31 15.036 2.005 0.382 0.343 0.800 0.667 CA 1.469 31 residues pruned to eliminate duplicates Z: 15 12.692 1.653 0.217 0.865 1.000 0.857 CB 1.235 15 residues pruned to eliminate duplicates Z: 27 12.305 1.981 0.352 0.383 0.846 0.538 CB 1.206 20 residues pruned to eliminate duplicates Z: 11 10.101 1.535 0.311 0.820 1.000 0.800 CB 1.202 11 residues pruned to eliminate duplicates Z: 14 12.485 1.591 0.712 0.877 1.000 0.846 CB 0.924 14 residues pruned to eliminate duplicates Z: 16 13.739 1.680 0.357 0.905 1.000 1.000 CB 1.108 16 residues pruned to eliminate duplicates Z: 33 20.884 1.775 0.557 0.665 0.844 0.469 CB 1.359 33 residues pruned to eliminate duplicates Z: 6 6.591 1.595 0.454 0.698 1.000 0.600 CA 1.062 6 residues pruned to eliminate duplicates Z: 8 2.427 1.497 0.279 0.227 0.714 0.286 CB 0.923 Z: 11 13.545 1.882 0.602 0.694 1.000 0.700 CB 1.190 14 residues pruned to eliminate duplicates Z: 7 2.213 1.323 0.803 0.305 0.500 0.500 C 0.940 Z: 63 24.860 1.999 0.498 0.417 0.871 0.548 CB 1.320 63 residues pruned to eliminate duplicates Z: 64 38.626 2.053 0.741 0.575 0.889 0.429 CB 1.425 64 residues pruned to eliminate duplicates Z: 7 5.174 1.558 0.255 0.516 0.833 0.667 N 1.276 Z: 11 12.202 1.719 0.598 0.814 0.900 0.800 CA 1.188 11 residues pruned to eliminate duplicates Z: 10 4.592 1.462 0.271 0.442 0.778 0.556 CB 1.125 Z: 7 2.382 1.283 0.168 0.484 1.000 0.833 CB 0.659 Z: 11 15.510 1.827 0.593 0.903 1.000 0.800 CA 1.201 11 residues pruned to eliminate duplicates Z: 17 15.671 1.933 0.686 0.638 0.938 0.375 CA 1.127 17 residues pruned to eliminate duplicates Z: 32 18.683 1.955 0.459 0.414 0.903 0.516 CB 1.426 32 residues pruned to eliminate duplicates 6 1.355 1.420 0.556 0.594 0.800 0.400 CA 0.313 ? Z: 11 19.536 2.249 0.629 0.638 0.900 0.800 CB 1.646 11 residues pruned to eliminate duplicates Z: 8 2.752 1.308 0.366 0.326 0.714 0.571 CB 0.986 7 residues pruned to eliminate duplicates Z: 6 4.206 1.605 0.594 0.472 0.800 0.600 CA 0.946 Z: 13 13.596 1.678 0.500 0.669 1.000 0.750 CB 1.334 13 residues pruned to eliminate duplicates Z: 21 21.985 2.039 0.901 0.471 0.900 0.450 CA 1.452 21 residues pruned to eliminate duplicates Z: 15 4.289 1.474 0.480 0.316 0.714 0.500 N 0.901 15 residues pruned to eliminate duplicates Z: 17 15.755 1.601 0.703 0.931 1.000 0.562 CB 1.010 16 residues pruned to eliminate duplicates Z: 44 48.483 2.205 1.004 0.722 0.953 0.605 CB 1.436 44 residues pruned to eliminate duplicates Z: 6 3.450 1.626 0.205 0.559 0.800 0.600 CB 0.930 Z: 8 2.641 1.559 0.269 0.521 0.857 0.429 CB 0.577 Z: 16 13.462 1.641 0.406 0.830 0.933 0.733 CB 1.214 16 residues pruned to eliminate duplicates Z: 14 10.334 1.622 0.417 0.611 0.923 0.769 CA 1.216 14 residues pruned to eliminate duplicates Z: 13 9.221 1.904 0.378 0.396 0.833 0.583 CB 1.358 13 residues pruned to eliminate duplicates Z: 6 2.398 1.407 0.303 0.464 0.600 0.600 O 1.012 6 residues pruned to eliminate duplicates Z: 14 13.006 1.728 0.622 0.903 0.923 0.385 CB 0.993 14 residues pruned to eliminate duplicates Z: 17 10.854 1.610 0.106 0.935 1.000 0.938 CB 1.062 17 residues pruned to eliminate duplicates Z: 7 8.495 1.855 0.760 0.833 0.833 0.500 CB 0.956 7 residues pruned to eliminate duplicates Z: 17 15.960 1.781 0.370 0.919 1.000 0.938 CA 1.152 17 residues pruned to eliminate duplicates Z: 13 10.045 1.645 0.596 0.887 1.000 0.750 CB 0.796 13 residues pruned to eliminate duplicates Z: 15 14.407 1.833 0.338 0.879 1.000 0.714 CA 1.138 15 residues pruned to eliminate duplicates Z: 48 17.371 2.007 0.375 0.421 0.766 0.489 CB 1.302 48 residues pruned to eliminate duplicates Z: 34 29.594 2.142 0.660 0.714 0.879 0.576 CB 1.357 45 residues pruned to eliminate duplicates Z: 8 2.544 1.533 0.305 0.516 0.857 0.429 CB 0.552 Z: 18 20.253 1.776 0.565 0.891 1.000 0.941 CB 1.271 18 residues pruned to eliminate duplicates Z: 7 5.022 1.456 0.256 0.849 1.000 1.000 CB 0.831 7 residues pruned to eliminate duplicates Z: 6 5.059 1.557 0.978 0.589 0.800 0.600 CB 0.843 Z: 14 12.996 1.863 0.181 0.872 1.000 0.846 CA 1.194 14 residues pruned to eliminate duplicates Z: 21 15.302 2.170 0.405 0.452 0.850 0.500 CB 1.387 21 residues pruned to eliminate duplicates Z: 7 2.479 1.429 -0.213 0.514 0.833 0.667 CB 1.066 8 residues pruned to eliminate duplicates Z: 53 23.478 1.992 0.405 0.429 0.904 0.500 CB 1.386 53 residues pruned to eliminate duplicates Z: 25 17.401 1.873 0.528 0.613 0.958 0.750 CB 1.164 28 residues pruned to eliminate duplicates Z: 14 10.434 1.603 0.406 0.889 1.000 0.846 CB 0.925 14 residues pruned to eliminate duplicates Z: 26 13.596 1.908 0.599 0.377 0.920 0.480 CB 1.105 26 residues pruned to eliminate duplicates Z: 7 3.681 1.323 0.366 0.333 1.000 0.667 CA 0.998 Z: 10 21.196 2.031 0.786 0.907 1.000 0.556 CA 1.385 10 residues pruned to eliminate duplicates Z: 6 2.933 1.430 0.095 0.472 0.800 0.600 O 1.078 Z: 16 11.436 1.483 0.522 0.899 1.000 1.000 CB 0.935 15 residues pruned to eliminate duplicates Z: 9 5.357 1.620 0.494 0.426 1.000 0.750 CB 0.845 5 residues pruned to eliminate duplicates Z: 18 8.516 1.823 0.284 0.366 0.882 0.471 CB 1.155 15 residues pruned to eliminate duplicates Z: 38 30.649 2.021 0.704 0.702 0.919 0.486 CB 1.325 38 residues pruned to eliminate duplicates Z: 13 4.543 1.525 0.181 0.351 0.833 0.500 CB 1.027 13 residues pruned to eliminate duplicates Z: 16 13.922 1.648 0.558 0.812 0.867 0.667 CB 1.232 16 residues pruned to eliminate duplicates Z: 14 9.917 1.646 0.746 0.927 1.000 0.846 CB 0.671 14 residues pruned to eliminate duplicates Z: 9 5.837 1.624 -0.058 0.596 1.000 0.875 CB 1.230 9 residues pruned to eliminate duplicates Z: 18 17.851 1.791 0.499 0.842 1.000 0.529 CB 1.201 18 residues pruned to eliminate duplicates Z: 7 5.333 1.462 0.210 0.848 1.000 1.000 CB 0.913 7 residues pruned to eliminate duplicates Z: 8 11.993 1.889 0.820 0.721 0.857 0.714 CA 1.260 8 residues pruned to eliminate duplicates Z: 28 14.159 1.775 0.573 0.606 0.815 0.444 CB 1.083 44 residues pruned to eliminate duplicates Z: 28 25.983 2.059 0.603 0.667 0.926 0.704 CA 1.402 28 residues pruned to eliminate duplicates Z: 8 7.814 1.520 0.716 0.515 1.000 0.857 CB 1.116 Z: 14 11.560 1.914 0.186 0.916 1.000 0.923 CB 0.997 14 residues pruned to eliminate duplicates 7 1.280 1.301 0.857 0.247 0.667 0.333 N 0.435 ? Z: 30 38.330 2.155 1.006 0.786 0.966 0.655 CB 1.326 39 residues pruned to eliminate duplicates Z: 7 6.419 1.781 0.413 0.604 0.833 0.667 N 1.132 Z: 14 12.308 1.970 0.622 0.494 0.769 0.385 CB 1.396 14 residues pruned to eliminate duplicates Z: 6 2.313 1.598 -0.165 0.331 0.800 0.400 CB 1.167 Z: 9 11.985 1.598 0.737 0.757 1.000 0.875 CB 1.214 9 residues pruned to eliminate duplicates Z: 67 23.721 1.967 0.381 0.429 0.864 0.470 CB 1.340 67 residues pruned to eliminate duplicates Z: 16 13.062 1.766 0.451 0.666 0.933 0.667 CB 1.209 16 residues pruned to eliminate duplicates Z: 10 8.726 1.666 0.308 0.668 0.889 0.778 CB 1.286 Z: 25 29.205 2.147 0.642 0.702 0.958 0.750 CA 1.468 25 residues pruned to eliminate duplicates Z: 7 2.843 1.645 -0.027 0.533 0.667 0.667 CB 1.054 7 residues pruned to eliminate duplicates Z: 12 12.554 1.758 0.586 0.826 0.909 0.818 CA 1.127 12 residues pruned to eliminate duplicates Z: 6 2.056 1.692 0.129 0.225 0.600 0.200 C 1.106 Z: 19 31.292 2.081 0.685 0.925 1.000 0.611 CA 1.476 19 residues pruned to eliminate duplicates Z: 8 3.305 1.637 0.508 0.197 0.714 0.429 CB 1.016 Z: 9 7.070 1.457 0.075 0.704 1.000 0.625 C 1.325 Z: 18 13.559 1.670 0.370 0.860 0.941 0.765 CA 1.123 18 residues pruned to eliminate duplicates Z: 8 8.339 1.835 0.719 0.542 0.857 0.714 CB 1.118 6 residues pruned to eliminate duplicates Z: 17 9.570 1.844 0.407 0.491 0.812 0.625 CB 1.145 17 residues pruned to eliminate duplicates Z: 11 15.698 1.897 0.860 0.906 0.900 0.900 CA 1.112 11 residues pruned to eliminate duplicates Z: 9 6.743 1.712 0.227 0.561 1.000 0.875 CA 1.069 9 residues pruned to eliminate duplicates Z: 7 6.786 1.630 0.322 0.582 1.000 0.500 CA 1.188 Z: 16 15.516 1.948 0.325 0.731 1.000 0.667 CA 1.261 16 residues pruned to eliminate duplicates Z: 32 22.078 1.813 0.481 0.672 0.935 0.484 CB 1.348 32 residues pruned to eliminate duplicates Z: 9 5.074 1.535 0.197 0.483 0.875 0.625 CB 1.135 9 residues pruned to eliminate duplicates Z: 6 4.686 1.524 0.233 0.647 1.000 1.000 CA 0.973 6 residues pruned to eliminate duplicates Z: 6 5.702 1.636 0.497 0.544 0.800 0.600 N 1.246 Z: 16 14.082 1.780 0.525 0.563 0.933 0.467 CB 1.349 16 residues pruned to eliminate duplicates Z: 21 14.631 1.614 0.730 0.751 0.900 0.600 CB 1.041 23 residues pruned to eliminate duplicates Z: 8 6.598 1.439 0.504 0.710 1.000 0.714 CB 0.952 6 residues pruned to eliminate duplicates Z: 13 11.487 1.735 0.579 0.527 1.000 0.750 CB 1.179 19 residues pruned to eliminate duplicates Z: 6 6.678 1.488 0.631 0.675 1.000 0.800 CB 1.047 6 residues pruned to eliminate duplicates Z: 14 7.658 1.559 0.443 0.569 0.846 0.692 CA 1.043 Z: 7 3.739 1.560 0.012 0.439 0.833 0.500 CB 1.235 8 residues pruned to eliminate duplicates Z: 10 8.457 1.881 1.028 0.363 0.889 0.667 CA 0.964 Z: 17 11.541 1.652 0.296 0.894 0.938 0.812 CB 1.031 16 residues pruned to eliminate duplicates Z: 25 11.410 1.709 0.311 0.369 0.917 0.500 CB 1.305 22 residues pruned to eliminate duplicates Z: 6 3.580 1.339 0.241 0.631 0.800 0.600 N 1.065 Z: 26 24.018 2.059 0.759 0.461 1.000 0.680 CA 1.380 26 residues pruned to eliminate duplicates Z: 33 22.099 1.902 0.813 0.633 0.938 0.562 CB 1.066 33 residues pruned to eliminate duplicates Z: 35 27.776 2.016 0.588 0.533 0.941 0.588 CA 1.532 42 residues pruned to eliminate duplicates Z: 25 17.746 1.843 0.624 0.505 0.917 0.500 CB 1.314 25 residues pruned to eliminate duplicates Z: 12 7.226 1.760 0.303 0.453 1.000 0.455 CB 0.997 12 residues pruned to eliminate duplicates Z: 17 6.772 1.742 0.332 0.572 0.812 0.562 CB 0.838 Z: 8 8.957 1.829 0.420 0.671 1.000 0.286 CA 1.113 8 residues pruned to eliminate duplicates Z: 18 10.259 1.587 0.112 0.879 1.000 0.882 CB 1.023 18 residues pruned to eliminate duplicates Z: 12 12.636 2.072 0.667 0.676 0.909 0.455 CB 1.031 12 residues pruned to eliminate duplicates Z: 57 31.315 2.011 0.673 0.591 0.857 0.607 CB 1.330 57 residues pruned to eliminate duplicates Z: 22 19.713 2.019 0.593 0.425 0.952 0.667 CB 1.518 22 residues pruned to eliminate duplicates Z: 8 3.083 1.344 0.159 0.525 0.857 0.571 CB 0.851 Z: 13 14.940 2.168 0.659 0.542 0.833 0.583 CB 1.381 13 residues pruned to eliminate duplicates Z: 9 6.942 1.619 0.456 0.642 0.875 0.500 CB 1.042 Z: 13 8.677 1.495 0.668 0.546 0.750 0.667 N 1.281 13 residues pruned to eliminate duplicates Z: 30 10.096 1.857 0.334 0.313 0.793 0.448 CB 1.174 30 residues pruned to eliminate duplicates Z: 16 10.700 1.754 0.434 0.606 0.867 0.667 CB 1.147 16 residues pruned to eliminate duplicates Z: 11 16.517 1.989 0.776 0.902 1.000 0.900 CB 1.055 11 residues pruned to eliminate duplicates Z: 76 28.494 1.849 0.487 0.581 0.867 0.507 CB 1.278 76 residues pruned to eliminate duplicates Z: 6 3.879 1.668 0.251 0.567 0.800 0.800 CA 0.973 6 residues pruned to eliminate duplicates Z: 12 8.039 1.756 0.654 0.657 0.636 0.455 CB 1.133 12 residues pruned to eliminate duplicates Z: 7 6.160 1.629 -0.081 0.868 1.000 1.000 CB 1.229 7 residues pruned to eliminate duplicates Z: 9 16.863 2.033 0.756 0.908 1.000 0.750 CB 1.186 16 residues pruned to eliminate duplicates Z: 15 12.780 1.761 0.967 0.561 0.857 0.429 CB 1.084 15 residues pruned to eliminate duplicates 6 1.390 1.420 0.280 0.410 0.600 0.600 CB 0.626 ? Using tripeptides from previous cycle as seeds Z: 7 5.012 1.649 0.765 0.428 1.000 0.333 CB 0.758 6 residues pruned to eliminate duplicates Z: 17 14.735 1.643 0.412 0.917 1.000 0.688 CB 1.120 17 residues pruned to eliminate duplicates Z: 16 12.161 1.745 0.320 0.923 1.000 0.733 CB 0.958 16 residues pruned to eliminate duplicates Z: 28 22.343 1.752 0.630 0.748 0.963 0.778 CB 1.253 28 residues pruned to eliminate duplicates Z: 15 13.461 1.730 0.452 0.904 1.000 0.786 CB 1.020 15 residues pruned to eliminate duplicates Z: 28 23.254 1.752 0.661 0.716 0.963 0.556 CB 1.313 28 residues pruned to eliminate duplicates Z: 14 15.194 1.727 0.812 0.925 1.000 0.462 CB 0.945 15 residues pruned to eliminate duplicates Z: 15 15.005 1.705 0.676 0.911 1.000 0.571 CB 0.995 15 residues pruned to eliminate duplicates Z: 28 20.423 1.748 0.639 0.734 0.926 0.630 CB 1.201 28 residues pruned to eliminate duplicates Z: 28 21.831 1.750 0.713 0.757 0.963 0.630 CB 1.158 28 residues pruned to eliminate duplicates Z: 14 4.356 1.490 0.198 0.416 0.846 0.385 CB 0.873 10 residues pruned to eliminate duplicates Z: 19 15.698 1.865 0.538 0.874 1.000 0.778 CB 0.939 19 residues pruned to eliminate duplicates Z: 15 20.504 2.058 0.891 0.837 1.000 0.714 CB 1.053 19 residues pruned to eliminate duplicates Z: 15 17.935 2.028 0.618 0.938 1.000 0.786 CB 1.016 15 residues pruned to eliminate duplicates Z: 15 18.923 1.954 1.181 0.905 0.929 0.714 CB 0.910 15 residues pruned to eliminate duplicates Z: 47 37.053 2.042 0.636 0.678 0.957 0.609 CB 1.451 45 residues pruned to eliminate duplicates Z: 14 20.592 2.093 0.963 0.941 1.000 0.692 CB 0.965 14 residues pruned to eliminate duplicates Z: 15 19.206 2.070 0.915 0.903 0.929 0.714 CB 0.994 14 residues pruned to eliminate duplicates Z: 15 23.590 2.042 1.174 0.941 1.000 0.571 CB 0.986 15 residues pruned to eliminate duplicates Z: 54 44.234 2.082 0.707 0.753 0.962 0.717 CB 1.418 54 residues pruned to eliminate duplicates Z: 55 43.676 2.061 0.643 0.764 0.944 0.648 CB 1.470 55 residues pruned to eliminate duplicates Z: 54 41.128 2.056 0.713 0.748 0.906 0.623 CB 1.419 54 residues pruned to eliminate duplicates Z: 57 39.060 1.995 0.641 0.729 0.946 0.554 CB 1.371 57 residues pruned to eliminate duplicates Z: 42 26.935 1.986 0.350 0.663 0.878 0.634 CB 1.537 42 residues pruned to eliminate duplicates Z: 40 28.152 2.042 0.317 0.700 0.923 0.769 CA 1.514 40 residues pruned to eliminate duplicates Z: 55 40.143 2.039 0.663 0.751 0.926 0.444 CB 1.391 55 residues pruned to eliminate duplicates Z: 38 34.419 2.088 0.578 0.723 0.919 0.622 CA 1.527 38 residues pruned to eliminate duplicates Z: 38 38.799 2.086 0.878 0.803 0.919 0.514 CB 1.360 38 residues pruned to eliminate duplicates Z: 17 32.727 2.078 0.888 0.942 0.938 0.812 CB 1.543 17 residues pruned to eliminate duplicates Z: 40 32.550 2.031 0.567 0.689 0.897 0.538 CA 1.536 40 residues pruned to eliminate duplicates Z: 28 25.435 1.951 0.702 0.661 0.926 0.444 CB 1.371 28 residues pruned to eliminate duplicates Z: 39 25.031 1.921 0.458 0.554 0.947 0.579 CB 1.452 39 residues pruned to eliminate duplicates Z: 53 40.167 2.022 0.676 0.737 0.942 0.615 CB 1.410 52 residues pruned to eliminate duplicates Z: 19 33.054 2.095 0.813 0.925 0.944 0.667 CB 1.525 19 residues pruned to eliminate duplicates Z: 54 37.460 1.998 0.634 0.719 0.962 0.528 CB 1.343 54 residues pruned to eliminate duplicates Z: 19 33.957 2.090 0.766 0.921 0.944 0.444 CB 1.615 19 residues pruned to eliminate duplicates Z: 40 38.593 2.045 0.694 0.727 0.949 0.615 CA 1.531 40 residues pruned to eliminate duplicates Z: 50 37.075 2.049 0.717 0.715 0.898 0.571 CB 1.380 50 residues pruned to eliminate duplicates Z: 52 39.314 2.044 0.751 0.732 0.882 0.667 CB 1.415 52 residues pruned to eliminate duplicates Z: 44 32.701 1.990 0.590 0.640 0.930 0.488 CA 1.486 44 residues pruned to eliminate duplicates Z: 54 47.183 2.078 0.786 0.753 0.962 0.528 CB 1.448 54 residues pruned to eliminate duplicates Z: 45 36.985 2.019 0.648 0.679 0.932 0.591 CB 1.525 45 residues pruned to eliminate duplicates Z: 54 44.475 2.080 0.725 0.751 0.943 0.585 CB 1.443 54 residues pruned to eliminate duplicates Z: 40 25.886 1.990 0.469 0.631 0.923 0.718 CA 1.357 40 residues pruned to eliminate duplicates Z: 37 31.838 2.064 0.524 0.715 0.972 0.667 CA 1.428 37 residues pruned to eliminate duplicates Z: 40 30.900 2.040 0.513 0.723 0.949 0.769 CA 1.381 40 residues pruned to eliminate duplicates Z: 42 31.498 1.960 0.604 0.686 0.951 0.610 CA 1.387 42 residues pruned to eliminate duplicates Z: 38 32.820 2.097 0.543 0.724 0.946 0.703 CA 1.441 38 residues pruned to eliminate duplicates Z: 15 17.621 2.022 0.367 0.748 1.000 0.714 CA 1.365 15 residues pruned to eliminate duplicates Z: 41 31.847 1.986 0.730 0.678 0.925 0.650 CA 1.345 41 residues pruned to eliminate duplicates Z: 38 32.943 2.010 0.610 0.682 0.919 0.541 CB 1.540 38 residues pruned to eliminate duplicates Z: 53 40.490 2.039 0.689 0.725 0.923 0.654 CB 1.442 53 residues pruned to eliminate duplicates Z: 14 19.571 2.025 0.479 0.783 1.000 0.769 CA 1.412 14 residues pruned to eliminate duplicates Z: 14 18.921 2.040 0.425 0.788 1.000 0.769 CA 1.402 14 residues pruned to eliminate duplicates Z: 13 21.968 2.024 0.696 0.846 1.000 0.667 CA 1.372 13 residues pruned to eliminate duplicates Z: 15 18.475 1.963 0.602 0.754 1.000 0.786 CA 1.252 15 residues pruned to eliminate duplicates Z: 17 18.718 1.885 0.608 0.665 0.938 0.688 CA 1.414 17 residues pruned to eliminate duplicates Z: 14 22.030 2.040 0.758 0.788 1.000 0.769 CA 1.323 14 residues pruned to eliminate duplicates Z: 15 18.799 1.920 0.705 0.716 1.000 0.643 CA 1.263 15 residues pruned to eliminate duplicates Z: 14 19.671 1.999 0.708 0.754 0.923 0.462 CB 1.380 14 residues pruned to eliminate duplicates Z: 15 23.161 1.980 0.818 0.732 0.929 0.571 CB 1.503 15 residues pruned to eliminate duplicates Z: 12 4.880 1.386 0.328 0.567 1.000 0.455 CB 0.749 8 residues pruned to eliminate duplicates Z: 9 6.809 1.528 0.356 0.710 1.000 0.750 CB 0.960 9 residues pruned to eliminate duplicates Z: 12 5.950 1.501 0.207 0.575 0.909 0.545 CB 1.013 12 residues pruned to eliminate duplicates Z: 6 4.032 1.523 0.084 0.792 0.800 0.400 CB 1.057 6 residues pruned to eliminate duplicates Z: 11 5.697 1.531 0.271 0.536 0.900 0.400 CB 0.994 12 residues pruned to eliminate duplicates Z: 7 3.971 1.392 0.568 0.736 0.667 0.333 CB 0.902 7 residues pruned to eliminate duplicates Z: 8 4.472 1.381 0.232 0.687 1.000 0.714 CB 0.837 8 residues pruned to eliminate duplicates Z: 11 6.307 1.486 0.294 0.650 1.000 0.700 CB 0.901 11 residues pruned to eliminate duplicates Z: 7 6.166 1.332 0.492 0.790 1.000 0.667 CB 0.982 7 residues pruned to eliminate duplicates Z: 16 9.383 1.620 0.420 0.589 0.867 0.667 CB 1.116 23 residues pruned to eliminate duplicates Z: 6 3.727 1.621 0.747 0.190 0.800 0.800 CA 1.066 6 residues pruned to eliminate duplicates Z: 18 15.108 1.981 0.595 0.462 1.000 0.647 CA 1.205 18 residues pruned to eliminate duplicates Z: 11 14.433 2.242 0.516 0.387 1.000 0.800 CA 1.514 11 residues pruned to eliminate duplicates Z: 11 16.687 2.220 0.592 0.526 1.000 0.900 CA 1.454 11 residues pruned to eliminate duplicates Z: 20 26.116 2.201 0.649 0.519 1.000 0.684 CB 1.620 20 residues pruned to eliminate duplicates Z: 19 21.659 2.137 0.733 0.487 1.000 0.667 CA 1.397 19 residues pruned to eliminate duplicates Z: 20 20.654 2.188 0.614 0.417 0.947 0.526 CA 1.543 20 residues pruned to eliminate duplicates Z: 18 26.755 2.277 0.655 0.517 1.000 0.706 CA 1.692 18 residues pruned to eliminate duplicates Z: 28 19.223 1.981 0.547 0.423 0.963 0.593 CA 1.358 28 residues pruned to eliminate duplicates Z: 27 23.665 2.048 0.560 0.485 0.923 0.615 CA 1.598 27 residues pruned to eliminate duplicates Z: 58 32.818 2.154 0.495 0.539 0.930 0.649 CB 1.397 68 residues pruned to eliminate duplicates Z: 42 40.253 2.179 0.873 0.574 0.976 0.537 CA 1.471 42 residues pruned to eliminate duplicates Z: 27 26.528 2.176 0.830 0.489 0.962 0.538 CA 1.374 27 residues pruned to eliminate duplicates Z: 36 31.365 2.193 0.780 0.555 0.914 0.543 CB 1.409 36 residues pruned to eliminate duplicates Z: 25 22.453 2.164 0.767 0.438 0.958 0.583 CA 1.333 25 residues pruned to eliminate duplicates Z: 27 20.451 2.055 0.768 0.452 0.962 0.500 CA 1.206 27 residues pruned to eliminate duplicates Z: 60 37.723 2.125 0.578 0.560 0.966 0.559 CA 1.431 60 residues pruned to eliminate duplicates Z: 51 31.970 2.141 0.556 0.522 0.940 0.600 CA 1.412 51 residues pruned to eliminate duplicates Z: 30 32.232 2.163 0.921 0.593 0.931 0.552 CB 1.415 30 residues pruned to eliminate duplicates Z: 25 24.875 2.191 0.690 0.447 0.917 0.583 CA 1.579 25 residues pruned to eliminate duplicates Z: 68 44.069 2.135 0.769 0.574 0.940 0.522 CB 1.411 68 residues pruned to eliminate duplicates Z: 23 30.059 2.211 0.918 0.637 0.955 0.682 CA 1.394 23 residues pruned to eliminate duplicates Z: 57 35.724 2.124 0.648 0.554 0.964 0.643 CA 1.341 57 residues pruned to eliminate duplicates Z: 40 30.534 2.186 0.631 0.527 0.949 0.615 CA 1.409 40 residues pruned to eliminate duplicates Z: 66 40.153 2.156 0.644 0.561 0.923 0.600 CB 1.435 66 residues pruned to eliminate duplicates Z: 18 22.653 2.185 0.925 0.647 0.882 0.471 CB 1.291 18 residues pruned to eliminate duplicates Z: 53 34.575 2.133 0.645 0.515 0.962 0.481 CB 1.401 53 residues pruned to eliminate duplicates Z: 53 36.832 2.191 0.711 0.585 0.923 0.615 CB 1.361 53 residues pruned to eliminate duplicates Z: 40 27.835 2.146 0.646 0.538 0.923 0.538 CA 1.318 40 residues pruned to eliminate duplicates Z: 61 40.147 2.169 0.658 0.567 0.950 0.633 CA 1.422 61 residues pruned to eliminate duplicates Z: 61 36.352 2.146 0.629 0.515 0.933 0.533 CA 1.417 61 residues pruned to eliminate duplicates Z: 19 25.594 2.247 0.909 0.737 0.833 0.444 CB 1.365 19 residues pruned to eliminate duplicates Z: 33 28.058 2.143 0.835 0.565 0.906 0.531 CA 1.306 33 residues pruned to eliminate duplicates Z: 51 33.196 2.157 0.482 0.581 0.980 0.600 CB 1.386 51 residues pruned to eliminate duplicates Z: 61 34.708 2.123 0.705 0.580 0.933 0.517 CB 1.228 61 residues pruned to eliminate duplicates Z: 34 27.362 2.172 0.655 0.666 0.909 0.576 CB 1.250 34 residues pruned to eliminate duplicates Z: 62 41.572 2.188 0.615 0.583 0.934 0.590 CB 1.488 62 residues pruned to eliminate duplicates Z: 53 36.652 2.170 0.713 0.518 0.923 0.519 CA 1.455 53 residues pruned to eliminate duplicates Z: 13 8.700 1.689 0.773 0.347 0.833 0.583 CB 1.189 13 residues pruned to eliminate duplicates Z: 60 35.251 2.137 0.698 0.550 0.915 0.508 CB 1.317 60 residues pruned to eliminate duplicates Z: 17 11.271 1.933 0.536 0.344 0.812 0.438 CB 1.384 17 residues pruned to eliminate duplicates Z: 31 24.027 2.040 0.783 0.612 0.833 0.533 CB 1.302 31 residues pruned to eliminate duplicates Z: 47 30.010 2.086 0.589 0.520 0.935 0.543 CB 1.401 54 residues pruned to eliminate duplicates Z: 22 17.688 2.083 0.459 0.563 0.952 0.571 CB 1.254 22 residues pruned to eliminate duplicates Z: 75 31.114 2.023 0.575 0.436 0.878 0.459 CB 1.381 75 residues pruned to eliminate duplicates Z: 99 39.022 1.999 0.593 0.501 0.908 0.500 CB 1.362 99 residues pruned to eliminate duplicates Z: 23 17.020 1.978 0.847 0.436 0.818 0.545 CB 1.296 23 residues pruned to eliminate duplicates Z: 70 29.633 1.988 0.599 0.436 0.884 0.449 CB 1.356 70 residues pruned to eliminate duplicates Z: 85 34.584 1.982 0.512 0.519 0.940 0.524 CB 1.314 92 residues pruned to eliminate duplicates Z: 17 11.552 2.153 0.312 0.433 0.875 0.500 CB 1.251 17 residues pruned to eliminate duplicates Z: 39 18.524 2.040 0.370 0.429 0.842 0.553 CB 1.375 45 residues pruned to eliminate duplicates Z: 28 17.926 2.138 0.534 0.365 0.852 0.481 CB 1.427 28 residues pruned to eliminate duplicates Z: 45 22.071 2.044 0.428 0.430 0.886 0.591 CB 1.382 45 residues pruned to eliminate duplicates Z: 35 18.451 2.067 0.553 0.439 0.794 0.529 CB 1.321 35 residues pruned to eliminate duplicates Z: 56 26.833 2.069 0.479 0.487 0.873 0.582 CB 1.373 56 residues pruned to eliminate duplicates Z: 78 30.097 1.975 0.427 0.491 0.896 0.584 CB 1.370 78 residues pruned to eliminate duplicates Z: 22 16.644 2.151 0.418 0.487 0.905 0.571 CB 1.333 22 residues pruned to eliminate duplicates Z: 57 26.425 2.052 0.572 0.438 0.875 0.589 CB 1.334 57 residues pruned to eliminate duplicates Z: 24 16.268 2.129 0.434 0.434 0.913 0.478 CB 1.302 24 residues pruned to eliminate duplicates Z: 54 22.194 1.994 0.474 0.385 0.811 0.434 CA 1.444 54 residues pruned to eliminate duplicates Z: 29 16.125 2.142 0.373 0.378 0.857 0.464 CA 1.377 29 residues pruned to eliminate duplicates Z: 54 24.405 2.075 0.450 0.413 0.868 0.547 CB 1.405 54 residues pruned to eliminate duplicates Z: 52 24.504 1.972 0.531 0.437 0.843 0.490 CB 1.439 52 residues pruned to eliminate duplicates Z: 34 15.992 2.021 0.476 0.404 0.818 0.515 CB 1.261 34 residues pruned to eliminate duplicates Z: 54 23.716 2.022 0.375 0.403 0.906 0.528 CB 1.434 54 residues pruned to eliminate duplicates Z: 35 17.539 2.076 0.501 0.407 0.824 0.500 CB 1.292 35 residues pruned to eliminate duplicates Z: 47 21.310 2.000 0.428 0.391 0.891 0.413 CB 1.386 47 residues pruned to eliminate duplicates Z: 82 39.299 2.099 0.642 0.526 0.889 0.580 CB 1.389 82 residues pruned to eliminate duplicates Z: 69 28.724 2.048 0.470 0.421 0.912 0.515 CB 1.378 69 residues pruned to eliminate duplicates Z: 67 31.969 2.028 0.527 0.449 0.939 0.500 CB 1.424 67 residues pruned to eliminate duplicates Z: 68 26.221 2.018 0.414 0.433 0.881 0.567 CB 1.366 68 residues pruned to eliminate duplicates Z: 36 22.073 1.993 0.495 0.414 0.943 0.514 CB 1.453 36 residues pruned to eliminate duplicates Z: 29 13.751 1.964 0.324 0.361 0.821 0.357 CA 1.412 29 residues pruned to eliminate duplicates Z: 50 21.844 2.046 0.410 0.342 0.918 0.551 CA 1.399 50 residues pruned to eliminate duplicates Z: 25 14.606 1.995 0.375 0.398 0.875 0.417 CB 1.382 25 residues pruned to eliminate duplicates Z: 48 21.608 1.916 0.433 0.424 0.894 0.511 CA 1.390 48 residues pruned to eliminate duplicates Z: 17 19.936 2.010 0.555 0.581 1.000 0.500 CA 1.476 17 residues pruned to eliminate duplicates Z: 57 26.321 2.034 0.556 0.437 0.857 0.482 CB 1.384 57 residues pruned to eliminate duplicates Z: 36 21.108 1.976 0.561 0.381 0.914 0.429 CB 1.437 36 residues pruned to eliminate duplicates Z: 34 18.784 1.965 0.484 0.409 0.879 0.576 CA 1.404 34 residues pruned to eliminate duplicates Z: 26 18.206 1.998 0.685 0.468 0.800 0.560 CB 1.397 26 residues pruned to eliminate duplicates Z: 67 26.940 1.970 0.514 0.453 0.894 0.621 CB 1.305 67 residues pruned to eliminate duplicates Z: 25 15.250 1.992 0.436 0.376 0.917 0.458 CA 1.355 25 residues pruned to eliminate duplicates Z: 43 18.483 1.926 0.424 0.397 0.857 0.500 CB 1.352 43 residues pruned to eliminate duplicates Z: 38 19.083 1.924 0.529 0.427 0.865 0.459 CB 1.330 38 residues pruned to eliminate duplicates Z: 43 19.651 1.923 0.547 0.388 0.857 0.500 CB 1.339 43 residues pruned to eliminate duplicates Z: 94 39.982 2.092 0.615 0.467 0.882 0.419 CB 1.439 94 residues pruned to eliminate duplicates Z: 36 18.522 1.919 0.527 0.417 0.886 0.457 CB 1.315 36 residues pruned to eliminate duplicates Z: 41 20.044 1.930 0.623 0.344 0.875 0.450 CA 1.370 41 residues pruned to eliminate duplicates Z: 50 22.190 1.919 0.494 0.444 0.878 0.510 CB 1.335 50 residues pruned to eliminate duplicates Z: 27 15.032 1.847 0.527 0.356 0.923 0.538 CB 1.323 27 residues pruned to eliminate duplicates Z: 44 20.269 1.864 0.444 0.494 0.930 0.512 CB 1.243 44 residues pruned to eliminate duplicates Z: 23 15.794 1.893 0.634 0.443 0.864 0.500 CB 1.337 23 residues pruned to eliminate duplicates Z: 23 12.959 1.890 0.757 0.350 0.773 0.455 CB 1.266 23 residues pruned to eliminate duplicates Z: 56 27.698 1.926 0.651 0.531 0.891 0.527 CB 1.278 56 residues pruned to eliminate duplicates Z: 52 23.336 2.037 0.452 0.402 0.882 0.490 CA 1.387 52 residues pruned to eliminate duplicates Z: 88 29.966 1.949 0.388 0.520 0.908 0.552 CB 1.282 88 residues pruned to eliminate duplicates Z: 43 19.485 1.926 0.454 0.418 0.881 0.405 CB 1.328 43 residues pruned to eliminate duplicates Z: 38 22.348 1.918 0.591 0.484 0.919 0.568 CB 1.331 38 residues pruned to eliminate duplicates Z: 16 10.471 1.853 0.671 0.458 0.800 0.467 CB 1.139 16 residues pruned to eliminate duplicates Z: 36 20.176 1.830 0.652 0.511 0.914 0.429 CB 1.220 36 residues pruned to eliminate duplicates Z: 15 12.430 1.798 0.639 0.499 0.786 0.286 CB 1.436 15 residues pruned to eliminate duplicates Z: 54 20.716 1.841 0.454 0.507 0.887 0.604 CA 1.191 54 residues pruned to eliminate duplicates Z: 22 10.871 1.735 0.533 0.497 0.714 0.429 CB 1.252 22 residues pruned to eliminate duplicates Z: 37 15.496 1.694 0.509 0.601 0.861 0.500 CB 1.066 37 residues pruned to eliminate duplicates Z: 18 9.422 1.689 0.418 0.604 0.941 0.471 CB 0.919 18 residues pruned to eliminate duplicates Z: 25 14.306 1.816 0.350 0.631 0.875 0.583 CB 1.204 25 residues pruned to eliminate duplicates Z: 35 21.041 1.800 0.591 0.644 0.912 0.559 CB 1.208 35 residues pruned to eliminate duplicates Z: 64 32.473 1.935 0.606 0.544 0.937 0.587 CB 1.347 64 residues pruned to eliminate duplicates Z: 12 7.025 1.658 0.315 0.519 1.000 0.455 CB 0.953 12 residues pruned to eliminate duplicates Z: 63 27.976 1.812 0.609 0.643 0.887 0.581 CB 1.202 63 residues pruned to eliminate duplicates Z: 29 22.405 1.831 0.691 0.719 1.000 0.643 CB 1.122 29 residues pruned to eliminate duplicates Z: 65 26.106 1.798 0.510 0.637 0.938 0.609 CB 1.128 65 residues pruned to eliminate duplicates Z: 65 29.806 1.924 0.521 0.519 0.922 0.562 CB 1.355 65 residues pruned to eliminate duplicates Z: 54 26.846 1.843 0.614 0.599 0.906 0.585 CB 1.245 54 residues pruned to eliminate duplicates Z: 30 22.818 1.868 0.651 0.681 0.931 0.655 CB 1.250 30 residues pruned to eliminate duplicates Z: 48 24.124 1.867 0.419 0.657 0.915 0.681 CB 1.255 48 residues pruned to eliminate duplicates Z: 20 14.822 1.837 0.554 0.583 0.895 0.579 CB 1.229 20 residues pruned to eliminate duplicates Z: 16 15.561 1.842 0.767 0.652 0.933 0.733 CB 1.148 16 residues pruned to eliminate duplicates Z: 49 26.049 1.838 0.564 0.649 0.938 0.521 CB 1.214 49 residues pruned to eliminate duplicates Z: 45 27.388 1.889 0.622 0.613 0.886 0.591 CB 1.366 45 residues pruned to eliminate duplicates Z: 14 10.748 1.681 1.100 0.513 0.846 0.538 CB 0.985 14 residues pruned to eliminate duplicates Z: 32 16.824 1.826 0.641 0.491 0.774 0.581 CB 1.315 32 residues pruned to eliminate duplicates Z: 67 31.831 1.834 0.695 0.637 0.879 0.439 CB 1.261 67 residues pruned to eliminate duplicates Z: 31 23.873 1.815 0.688 0.676 1.000 0.800 CB 1.210 31 residues pruned to eliminate duplicates Z: 65 34.071 1.845 0.610 0.662 0.922 0.625 CB 1.338 65 residues pruned to eliminate duplicates Z: 6 4.324 1.803 0.400 0.228 0.800 0.200 CA 1.316 6 residues pruned to eliminate duplicates Z: 45 24.107 1.855 0.517 0.574 0.909 0.409 CA 1.322 45 residues pruned to eliminate duplicates Z: 65 26.900 1.818 0.502 0.618 0.875 0.609 CB 1.258 65 residues pruned to eliminate duplicates Z: 6 6.414 1.783 0.841 0.478 1.000 0.200 CA 0.893 6 residues pruned to eliminate duplicates Z: 29 18.524 1.871 0.601 0.551 0.893 0.607 CA 1.245 29 residues pruned to eliminate duplicates Z: 52 25.475 1.871 0.570 0.595 0.863 0.569 CB 1.285 52 residues pruned to eliminate duplicates Z: 27 17.323 1.791 0.677 0.455 0.923 0.577 CA 1.283 27 residues pruned to eliminate duplicates Z: 22 16.797 1.830 0.740 0.491 0.952 0.762 CA 1.220 22 residues pruned to eliminate duplicates Z: 13 9.509 1.746 0.466 0.642 0.833 0.417 CA 1.127 13 residues pruned to eliminate duplicates Z: 31 17.354 1.857 0.447 0.568 0.900 0.400 CA 1.227 31 residues pruned to eliminate duplicates Z: 50 27.924 1.822 0.640 0.625 0.939 0.612 CB 1.264 50 residues pruned to eliminate duplicates Z: 50 24.189 1.825 0.495 0.616 0.898 0.633 CA 1.264 50 residues pruned to eliminate duplicates Z: 39 22.112 1.799 0.449 0.621 0.921 0.579 CB 1.332 39 residues pruned to eliminate duplicates Z: 35 20.960 1.852 0.631 0.554 0.912 0.588 CA 1.238 35 residues pruned to eliminate duplicates Z: 38 20.615 1.842 0.582 0.557 0.865 0.432 CA 1.273 38 residues pruned to eliminate duplicates Z: 42 22.403 1.833 0.461 0.560 0.951 0.561 CB 1.296 42 residues pruned to eliminate duplicates Z: 34 20.978 1.799 0.457 0.630 0.939 0.545 CA 1.313 34 residues pruned to eliminate duplicates Z: 31 17.786 1.798 0.544 0.533 0.867 0.500 CA 1.307 31 residues pruned to eliminate duplicates Z: 32 18.523 1.828 0.419 0.659 0.871 0.645 CB 1.271 32 residues pruned to eliminate duplicates Z: 53 29.073 1.851 0.708 0.566 0.904 0.635 CB 1.323 53 residues pruned to eliminate duplicates Z: 40 21.591 1.801 0.535 0.563 0.897 0.538 CB 1.312 40 residues pruned to eliminate duplicates Z: 30 13.977 1.845 0.313 0.514 0.828 0.621 CB 1.277 30 residues pruned to eliminate duplicates Z: 54 27.205 1.838 0.576 0.590 0.925 0.604 CB 1.280 54 residues pruned to eliminate duplicates Z: 8 4.490 1.708 0.776 0.344 0.714 0.571 CA 0.928 8 residues pruned to eliminate duplicates Z: 34 22.487 1.829 0.664 0.592 0.909 0.606 CB 1.296 34 residues pruned to eliminate duplicates Z: 59 30.788 1.825 0.615 0.615 0.931 0.603 CA 1.322 59 residues pruned to eliminate duplicates Z: 10 14.612 1.763 0.498 0.774 1.000 0.556 CB 1.448 10 residues pruned to eliminate duplicates Z: 23 18.391 1.732 0.684 0.651 0.864 0.455 CA 1.352 23 residues pruned to eliminate duplicates Z: 10 14.126 1.650 0.616 0.787 1.000 0.556 N 1.372 10 residues pruned to eliminate duplicates Z: 24 22.609 1.740 0.734 0.672 0.957 0.652 CB 1.395 23 residues pruned to eliminate duplicates Z: 11 10.751 1.489 0.729 0.767 0.900 0.800 CA 1.158 11 residues pruned to eliminate duplicates Z: 40 24.123 1.811 0.519 0.619 0.974 0.692 CA 1.288 41 residues pruned to eliminate duplicates Z: 10 12.366 1.716 0.352 0.875 1.000 0.778 CB 1.292 10 residues pruned to eliminate duplicates Z: 54 27.625 1.885 0.584 0.592 0.887 0.660 CA 1.313 54 residues pruned to eliminate duplicates Z: 27 15.435 1.612 0.754 0.574 0.808 0.500 CB 1.234 27 residues pruned to eliminate duplicates Z: 15 14.271 1.757 0.744 0.504 0.857 0.786 CB 1.447 15 residues pruned to eliminate duplicates Z: 17 10.994 1.748 0.653 0.459 0.812 0.562 CB 1.221 17 residues pruned to eliminate duplicates Z: 28 18.538 1.771 0.786 0.698 0.852 0.556 CB 1.105 28 residues pruned to eliminate duplicates Z: 29 19.437 1.734 0.570 0.685 0.964 0.536 CB 1.180 29 residues pruned to eliminate duplicates Z: 10 5.090 1.283 0.454 0.522 0.889 0.556 CA 1.001 10 residues pruned to eliminate duplicates Z: 29 19.950 1.691 0.634 0.707 0.929 0.786 CB 1.218 29 residues pruned to eliminate duplicates Z: 17 13.439 1.726 0.780 0.493 0.875 0.688 CB 1.258 16 residues pruned to eliminate duplicates Z: 6 3.252 1.491 0.354 0.446 0.800 0.400 CA 0.952 7 residues pruned to eliminate duplicates Z: 7 4.861 1.709 0.119 0.495 1.000 0.500 CA 1.043 7 residues pruned to eliminate duplicates Z: 14 11.927 1.945 0.527 0.530 0.846 0.692 CA 1.278 14 residues pruned to eliminate duplicates Z: 25 18.161 1.932 0.491 0.547 0.958 0.625 CB 1.282 25 residues pruned to eliminate duplicates Z: 41 21.109 1.996 0.503 0.485 0.900 0.650 CB 1.256 68 residues pruned to eliminate duplicates Z: 25 17.877 1.855 0.580 0.546 1.000 0.625 CB 1.190 Z: 6 5.341 1.565 0.859 0.322 1.000 0.600 CA 0.998 6 residues pruned to eliminate duplicates Z: 24 18.289 1.897 0.456 0.546 1.000 0.652 CB 1.320 25 residues pruned to eliminate duplicates Z: 6 6.193 1.639 0.397 0.476 1.000 0.400 N 1.239 Z: 19 23.730 2.153 0.609 0.768 0.889 0.722 CB 1.432 19 residues pruned to eliminate duplicates Z: 18 24.007 2.149 0.607 0.801 0.941 0.824 CB 1.377 18 residues pruned to eliminate duplicates Z: 24 21.039 2.020 0.702 0.615 0.913 0.696 CB 1.254 24 residues pruned to eliminate duplicates Z: 24 24.625 2.110 0.838 0.636 0.913 0.522 CB 1.276 24 residues pruned to eliminate duplicates Z: 55 54.810 2.205 0.871 0.743 0.944 0.685 CA 1.540 55 residues pruned to eliminate duplicates Z: 47 40.864 2.186 0.761 0.667 0.891 0.652 CB 1.505 47 residues pruned to eliminate duplicates Z: 44 44.592 2.202 0.837 0.707 0.930 0.605 CB 1.497 44 residues pruned to eliminate duplicates Z: 62 50.639 2.165 0.953 0.670 0.902 0.623 CA 1.453 62 residues pruned to eliminate duplicates Z: 41 47.485 2.224 0.761 0.768 0.975 0.625 CB 1.550 41 residues pruned to eliminate duplicates Z: 62 49.420 2.164 0.837 0.671 0.918 0.672 CB 1.482 62 residues pruned to eliminate duplicates Z: 46 44.033 2.199 0.899 0.678 0.911 0.533 CB 1.465 46 residues pruned to eliminate duplicates Z: 57 50.774 2.167 0.921 0.718 0.893 0.625 CA 1.498 57 residues pruned to eliminate duplicates Z: 66 46.496 2.106 0.812 0.654 0.908 0.631 CA 1.443 90 residues pruned to eliminate duplicates Z: 61 48.084 2.176 0.829 0.650 0.900 0.600 CA 1.507 61 residues pruned to eliminate duplicates Z: 55 51.896 2.201 0.837 0.743 0.963 0.593 CA 1.459 55 residues pruned to eliminate duplicates Z: 47 41.442 2.193 0.750 0.685 0.913 0.609 CB 1.472 47 residues pruned to eliminate duplicates Z: 46 45.392 2.199 0.881 0.686 0.933 0.644 CB 1.478 46 residues pruned to eliminate duplicates Z: 63 51.489 2.135 0.892 0.669 0.935 0.629 CA 1.479 63 residues pruned to eliminate duplicates Z: 61 47.737 2.160 0.824 0.671 0.933 0.433 CA 1.431 61 residues pruned to eliminate duplicates Z: 40 48.910 2.247 0.995 0.792 0.923 0.667 CB 1.465 40 residues pruned to eliminate duplicates Z: 28 32.509 2.127 0.890 0.644 0.889 0.630 CB 1.531 28 residues pruned to eliminate duplicates Z: 55 50.379 2.178 0.932 0.738 0.926 0.574 CB 1.422 55 residues pruned to eliminate duplicates Z: 41 49.321 2.246 0.994 0.764 0.900 0.675 CB 1.531 41 residues pruned to eliminate duplicates Z: 39 50.851 2.255 1.030 0.816 0.921 0.579 CB 1.487 39 residues pruned to eliminate duplicates Z: 62 46.916 2.157 0.832 0.662 0.885 0.623 CA 1.478 62 residues pruned to eliminate duplicates Z: 55 52.337 2.221 0.893 0.757 0.926 0.722 CA 1.456 55 residues pruned to eliminate duplicates Z: 46 47.250 2.205 0.911 0.687 0.933 0.644 CB 1.508 46 residues pruned to eliminate duplicates Z: 55 56.324 2.187 0.992 0.753 0.944 0.611 CB 1.488 55 residues pruned to eliminate duplicates Z: 46 43.176 2.200 0.938 0.683 0.889 0.600 CB 1.435 46 residues pruned to eliminate duplicates Z: 42 47.902 2.202 0.955 0.757 0.927 0.561 CB 1.492 42 residues pruned to eliminate duplicates Z: 54 57.607 2.207 0.917 0.763 0.981 0.623 CA 1.509 54 residues pruned to eliminate duplicates Z: 55 55.122 2.195 0.850 0.776 0.944 0.519 CB 1.533 55 residues pruned to eliminate duplicates Z: 62 46.481 2.161 0.860 0.666 0.852 0.623 CB 1.490 62 residues pruned to eliminate duplicates Z: 63 49.766 2.137 0.871 0.674 0.919 0.516 CA 1.464 63 residues pruned to eliminate duplicates Z: 46 45.872 2.175 1.033 0.706 0.911 0.600 CB 1.408 46 residues pruned to eliminate duplicates Z: 62 50.922 2.152 0.880 0.679 0.934 0.525 CB 1.463 62 residues pruned to eliminate duplicates Z: 55 54.608 2.223 0.888 0.749 0.926 0.667 CA 1.531 55 residues pruned to eliminate duplicates Z: 65 43.053 2.081 0.761 0.645 0.891 0.625 CA 1.441 65 residues pruned to eliminate duplicates Z: 62 49.604 2.153 0.882 0.692 0.902 0.574 CB 1.458 62 residues pruned to eliminate duplicates Z: 56 54.046 2.166 0.957 0.755 0.927 0.527 CB 1.478 56 residues pruned to eliminate duplicates Z: 56 57.633 2.181 1.029 0.751 0.945 0.545 CB 1.485 56 residues pruned to eliminate duplicates Z: 18 18.029 1.953 0.598 0.686 1.000 0.588 CA 1.181 18 residues pruned to eliminate duplicates Z: 18 17.182 2.000 0.659 0.613 0.882 0.529 CA 1.278 18 residues pruned to eliminate duplicates Z: 18 14.158 1.937 0.597 0.553 0.941 0.529 CA 1.120 18 residues pruned to eliminate duplicates Z: 18 18.108 1.974 0.707 0.607 0.941 0.588 CA 1.251 18 residues pruned to eliminate duplicates Z: 16 18.795 2.065 0.670 0.596 1.000 0.733 CA 1.284 16 residues pruned to eliminate duplicates Z: 54 57.477 2.228 0.981 0.760 0.962 0.491 CB 1.476 54 residues pruned to eliminate duplicates Z: 60 52.246 2.155 0.954 0.705 0.915 0.559 CB 1.465 60 residues pruned to eliminate duplicates Z: 20 16.541 1.955 0.566 0.568 0.895 0.421 CA 1.297 20 residues pruned to eliminate duplicates Z: 61 48.012 2.132 0.849 0.677 0.917 0.533 CB 1.458 61 residues pruned to eliminate duplicates Z: 17 19.073 2.037 0.830 0.687 0.875 0.438 CA 1.232 17 residues pruned to eliminate duplicates Z: 13 21.908 1.920 1.076 0.776 1.000 0.583 CA 1.244 13 residues pruned to eliminate duplicates Z: 55 62.272 2.201 1.134 0.763 0.963 0.519 CB 1.484 56 residues pruned to eliminate duplicates Z: 11 25.499 1.914 1.209 0.843 1.000 0.500 CB 1.421 10 residues pruned to eliminate duplicates Z: 10 20.869 2.117 1.025 0.830 0.889 0.444 CA 1.373 10 residues pruned to eliminate duplicates Z: 34 22.935 2.021 0.776 0.557 0.879 0.394 CB 1.198 34 residues pruned to eliminate duplicates Z: 12 19.304 2.120 1.067 0.930 0.909 0.364 CB 1.022 Z: 11 20.928 2.127 1.113 0.906 0.900 0.500 CB 1.164 11 residues pruned to eliminate duplicates Z: 11 15.176 2.104 0.758 0.717 0.900 0.500 CB 1.185 11 residues pruned to eliminate duplicates Z: 13 11.469 1.812 0.950 0.798 0.750 0.417 CA 0.962 11 residues pruned to eliminate duplicates Z: 9 5.932 1.758 0.787 0.656 0.625 0.500 CA 0.924 9 residues pruned to eliminate duplicates Z: 22 20.922 2.081 0.695 0.540 0.905 0.286 CB 1.376 36 residues pruned to eliminate duplicates Z: 16 16.089 2.034 0.833 0.549 0.800 0.333 CB 1.328 8 residues pruned to eliminate duplicates Z: 8 8.279 1.707 0.914 0.451 1.000 0.571 CA 1.007 8 residues pruned to eliminate duplicates Z: 38 23.163 1.989 0.827 0.520 0.892 0.351 CB 1.152 38 residues pruned to eliminate duplicates Z: 33 21.898 2.054 0.710 0.491 0.906 0.500 CB 1.227 33 residues pruned to eliminate duplicates Z: 70 41.855 2.086 0.872 0.578 0.928 0.464 CB 1.290 70 residues pruned to eliminate duplicates Z: 72 33.929 2.040 0.724 0.514 0.887 0.451 CB 1.272 72 residues pruned to eliminate duplicates Z: 12 8.868 1.717 0.476 0.829 1.000 0.909 CB 0.794 12 residues pruned to eliminate duplicates Z: 13 11.451 1.683 0.994 0.945 0.917 0.833 CB 0.743 13 residues pruned to eliminate duplicates Z: 12 11.597 1.736 0.767 0.832 1.000 0.727 CB 0.856 12 residues pruned to eliminate duplicates Z: 16 13.219 1.572 0.734 0.919 1.000 0.733 CB 0.883 16 residues pruned to eliminate duplicates Z: 14 8.174 1.562 0.681 0.888 0.846 0.846 CB 0.735 14 residues pruned to eliminate duplicates Z: 13 10.361 1.685 0.887 0.904 1.000 0.500 CB 0.670 13 residues pruned to eliminate duplicates Z: 15 11.526 1.597 0.868 0.786 0.929 0.357 CB 0.865 15 residues pruned to eliminate duplicates Z: 16 10.835 1.517 0.848 0.804 0.933 0.533 CB 0.820 16 residues pruned to eliminate duplicates Z: 13 14.305 1.698 1.090 0.929 1.000 0.500 CB 0.815 13 residues pruned to eliminate duplicates Z: 14 14.294 1.597 1.048 0.936 1.000 0.692 CB 0.844 15 residues pruned to eliminate duplicates Z: 15 12.430 1.600 1.005 0.916 1.000 0.571 CB 0.731 15 residues pruned to eliminate duplicates Z: 26 16.477 1.575 0.834 0.708 1.000 0.680 CB 0.945 26 residues pruned to eliminate duplicates Z: 6 2.964 1.381 0.286 0.439 1.000 0.800 N 0.795 6 residues pruned to eliminate duplicates Z: 18 18.305 2.174 0.573 0.497 0.882 0.706 CB 1.476 18 residues pruned to eliminate duplicates Z: 27 22.475 2.027 0.687 0.540 0.846 0.577 CA 1.465 27 residues pruned to eliminate duplicates Z: 19 16.894 2.104 0.574 0.532 0.833 0.833 CB 1.398 19 residues pruned to eliminate duplicates Z: 20 19.524 2.055 0.684 0.471 0.895 0.526 CB 1.490 32 residues pruned to eliminate duplicates Z: 6 5.669 1.718 0.383 0.460 0.800 0.600 C 1.390 6 residues pruned to eliminate duplicates Z: 19 16.804 2.050 0.703 0.432 0.833 0.611 CA 1.461 19 residues pruned to eliminate duplicates Z: 18 16.791 2.093 0.505 0.402 1.000 0.706 CB 1.433 18 residues pruned to eliminate duplicates Z: 31 19.740 1.957 0.614 0.427 0.833 0.433 CB 1.476 31 residues pruned to eliminate duplicates Z: 22 8.544 1.681 0.769 0.245 0.714 0.286 CB 1.178 22 residues pruned to eliminate duplicates Z: 29 20.802 1.983 0.676 0.418 0.857 0.500 CB 1.503 29 residues pruned to eliminate duplicates Z: 24 19.871 2.064 0.684 0.479 0.783 0.522 CA 1.556 24 residues pruned to eliminate duplicates Z: 25 23.540 2.104 0.481 0.504 0.958 0.708 CB 1.602 25 residues pruned to eliminate duplicates Z: 62 33.229 1.987 0.595 0.581 0.902 0.607 CA 1.378 62 residues pruned to eliminate duplicates Z: 9 10.552 2.051 0.513 0.512 0.875 0.750 CA 1.357 9 residues pruned to eliminate duplicates Z: 46 42.899 2.163 0.904 0.584 0.911 0.600 CB 1.571 46 residues pruned to eliminate duplicates Z: 31 34.412 2.206 0.787 0.642 0.967 0.733 CA 1.443 31 residues pruned to eliminate duplicates Z: 32 34.942 2.212 0.808 0.582 0.935 0.548 CA 1.550 32 residues pruned to eliminate duplicates Z: 56 33.475 2.031 0.621 0.575 0.891 0.582 CA 1.432 56 residues pruned to eliminate duplicates Z: 39 38.299 2.225 0.752 0.585 0.947 0.632 CB 1.551 39 residues pruned to eliminate duplicates Z: 74 36.670 2.044 0.560 0.546 0.932 0.630 CB 1.381 74 residues pruned to eliminate duplicates Z: 45 39.082 2.204 0.703 0.589 0.886 0.727 CB 1.625 45 residues pruned to eliminate duplicates Z: 26 29.021 2.174 0.830 0.591 0.920 0.680 CA 1.454 26 residues pruned to eliminate duplicates Z: 32 27.379 2.137 0.600 0.557 0.935 0.548 CA 1.455 32 residues pruned to eliminate duplicates Z: 61 29.123 1.967 0.611 0.499 0.900 0.533 CB 1.320 61 residues pruned to eliminate duplicates Z: 47 24.589 1.981 0.624 0.492 0.848 0.543 CB 1.340 47 residues pruned to eliminate duplicates Z: 31 28.244 2.195 0.937 0.505 0.767 0.367 CA 1.575 31 residues pruned to eliminate duplicates Z: 41 34.153 2.185 0.770 0.556 0.900 0.475 CB 1.468 41 residues pruned to eliminate duplicates Z: 12 36.306 2.326 1.432 0.898 0.909 0.545 CA 1.522 12 residues pruned to eliminate duplicates Z: 48 36.425 2.145 0.742 0.531 0.894 0.468 CB 1.542 48 residues pruned to eliminate duplicates Z: 51 36.393 2.088 0.807 0.518 0.860 0.560 CB 1.559 51 residues pruned to eliminate duplicates Z: 49 37.561 2.132 0.829 0.541 0.875 0.438 CB 1.527 49 residues pruned to eliminate duplicates Z: 42 30.491 2.007 0.694 0.649 0.951 0.561 CB 1.281 42 residues pruned to eliminate duplicates Z: 13 31.523 2.214 1.239 0.841 0.917 0.250 CA 1.494 13 residues pruned to eliminate duplicates Z: 13 31.140 2.242 1.157 0.835 0.917 0.083 CB 1.519 13 residues pruned to eliminate duplicates Z: 13 27.689 2.249 1.144 0.840 0.833 0.250 CB 1.485 13 residues pruned to eliminate duplicates Z: 54 31.696 2.009 0.576 0.621 0.887 0.585 CB 1.384 54 residues pruned to eliminate duplicates Z: 29 28.168 2.053 0.755 0.636 0.893 0.536 CB 1.457 29 residues pruned to eliminate duplicates Z: 41 35.017 2.088 0.810 0.554 0.925 0.425 CB 1.503 41 residues pruned to eliminate duplicates Z: 22 26.274 2.083 0.870 0.680 0.857 0.381 CB 1.456 22 residues pruned to eliminate duplicates Z: 38 33.113 2.091 0.909 0.558 0.865 0.459 CB 1.491 38 residues pruned to eliminate duplicates Z: 20 31.409 2.133 1.054 0.703 0.947 0.368 CB 1.442 20 residues pruned to eliminate duplicates Z: 24 18.454 1.860 0.481 0.653 0.957 0.652 CB 1.267 24 residues pruned to eliminate duplicates Z: 43 23.301 1.955 0.628 0.609 0.857 0.500 CB 1.189 43 residues pruned to eliminate duplicates Z: 25 21.371 1.908 0.752 0.557 0.917 0.333 CB 1.346 25 residues pruned to eliminate duplicates Z: 11 8.961 1.845 0.601 0.437 0.800 0.500 CB 1.280 11 residues pruned to eliminate duplicates Z: 8 10.636 1.935 0.730 0.630 0.857 0.714 CB 1.239 8 residues pruned to eliminate duplicates Z: 22 18.615 1.980 0.884 0.568 0.857 0.333 CB 1.190 22 residues pruned to eliminate duplicates Z: 11 8.698 1.783 0.702 0.579 0.800 0.500 CB 1.049 11 residues pruned to eliminate duplicates Z: 93 36.049 2.056 0.638 0.473 0.870 0.533 CB 1.320 127 residues pruned to eliminate duplicates Z: 7 4.918 1.840 0.265 0.325 0.833 0.500 CB 1.256 7 residues pruned to eliminate duplicates Z: 43 14.135 1.939 0.424 0.371 0.762 0.548 CB 1.191 43 residues pruned to eliminate duplicates Z: 36 19.236 2.073 0.407 0.409 0.886 0.486 CB 1.385 36 residues pruned to eliminate duplicates Z: 36 19.282 2.045 0.400 0.429 0.886 0.600 CB 1.383 36 residues pruned to eliminate duplicates Z: 38 21.775 1.997 0.579 0.454 0.919 0.541 CB 1.295 38 residues pruned to eliminate duplicates Z: 35 19.890 2.058 0.342 0.457 0.941 0.559 CB 1.371 35 residues pruned to eliminate duplicates Z: 38 20.150 2.003 0.546 0.457 0.865 0.595 CB 1.293 38 residues pruned to eliminate duplicates Z: 37 19.479 2.045 0.449 0.419 0.889 0.694 CB 1.342 37 residues pruned to eliminate duplicates Z: 39 18.656 1.991 0.448 0.421 0.895 0.553 CB 1.274 39 residues pruned to eliminate duplicates Z: 25 18.242 2.020 0.614 0.479 0.875 0.667 CB 1.333 25 residues pruned to eliminate duplicates Z: 38 18.232 2.021 0.408 0.427 0.892 0.541 CB 1.274 38 residues pruned to eliminate duplicates Z: 41 18.803 1.949 0.569 0.421 0.875 0.550 CB 1.207 41 residues pruned to eliminate duplicates Z: 37 19.101 2.002 0.485 0.409 0.889 0.500 CB 1.325 37 residues pruned to eliminate duplicates Z: 25 19.767 2.022 0.613 0.483 0.958 0.583 CB 1.314 25 residues pruned to eliminate duplicates Z: 37 16.042 1.995 0.446 0.346 0.889 0.528 CB 1.233 37 residues pruned to eliminate duplicates Z: 37 16.216 2.042 0.287 0.394 0.889 0.583 CB 1.294 37 residues pruned to eliminate duplicates Z: 32 16.308 1.972 0.315 0.392 0.935 0.581 CB 1.354 32 residues pruned to eliminate duplicates Z: 32 16.738 2.009 0.364 0.405 0.871 0.452 CB 1.391 32 residues pruned to eliminate duplicates Z: 34 18.390 2.048 0.394 0.438 0.879 0.576 CB 1.360 34 residues pruned to eliminate duplicates Z: 36 17.025 2.061 0.416 0.379 0.829 0.543 CB 1.354 36 residues pruned to eliminate duplicates Z: 48 19.896 1.988 0.496 0.417 0.809 0.532 CB 1.316 48 residues pruned to eliminate duplicates Z: 18 8.399 1.796 0.468 0.368 0.824 0.412 CB 1.080 18 residues pruned to eliminate duplicates Z: 13 5.642 1.838 0.104 0.349 0.750 0.417 CB 1.261 13 residues pruned to eliminate duplicates Z: 13 8.189 1.844 0.287 0.366 0.917 0.583 CB 1.254 13 residues pruned to eliminate duplicates Z: 35 18.234 2.041 0.389 0.408 0.912 0.559 CB 1.332 35 residues pruned to eliminate duplicates Z: 20 10.749 1.836 0.470 0.314 0.895 0.421 CA 1.254 20 residues pruned to eliminate duplicates Z: 38 15.973 2.005 0.459 0.357 0.838 0.486 CB 1.250 38 residues pruned to eliminate duplicates Z: 40 19.584 1.930 0.617 0.414 0.897 0.462 CB 1.225 40 residues pruned to eliminate duplicates Z: 19 7.220 1.747 0.351 0.285 0.833 0.500 CA 1.103 19 residues pruned to eliminate duplicates Z: 19 9.343 1.839 0.477 0.311 0.889 0.389 CB 1.124 19 residues pruned to eliminate duplicates Z: 15 8.522 1.803 0.625 0.346 0.786 0.429 CB 1.169 15 residues pruned to eliminate duplicates Z: 47 13.493 1.787 0.371 0.311 0.870 0.522 CB 1.150 47 residues pruned to eliminate duplicates Z: 39 14.662 1.844 0.380 0.412 0.868 0.447 CB 1.181 43 residues pruned to eliminate duplicates Z: 11 6.555 1.630 0.363 0.535 0.900 0.500 CA 1.001 11 residues pruned to eliminate duplicates Z: 28 10.917 1.767 0.363 0.394 0.815 0.185 CB 1.199 28 residues pruned to eliminate duplicates Z: 30 14.247 1.748 0.570 0.382 0.931 0.310 CB 1.174 30 residues pruned to eliminate duplicates Z: 33 11.246 1.778 0.370 0.364 0.844 0.406 CB 1.119 33 residues pruned to eliminate duplicates Z: 32 13.051 1.778 0.398 0.363 0.871 0.548 CB 1.254 32 residues pruned to eliminate duplicates Z: 21 15.648 1.697 0.721 0.453 1.000 0.700 CB 1.256 21 residues pruned to eliminate duplicates Z: 25 12.206 1.772 0.555 0.329 0.917 0.375 CB 1.189 25 residues pruned to eliminate duplicates Z: 40 14.097 1.790 0.344 0.385 0.846 0.513 CB 1.253 40 residues pruned to eliminate duplicates Z: 39 13.059 1.795 0.373 0.321 0.842 0.395 CB 1.243 39 residues pruned to eliminate duplicates Z: 41 13.601 1.808 0.429 0.321 0.825 0.475 CB 1.229 41 residues pruned to eliminate duplicates Z: 35 11.714 1.785 0.405 0.330 0.853 0.412 CB 1.131 35 residues pruned to eliminate duplicates Z: 10 7.655 1.725 0.692 0.225 1.000 0.444 CB 1.206 10 residues pruned to eliminate duplicates Z: 14 9.992 1.745 0.564 0.422 0.923 0.538 CB 1.192 14 residues pruned to eliminate duplicates Z: 17 10.603 1.752 0.551 0.400 0.875 0.562 CB 1.239 17 residues pruned to eliminate duplicates Z: 15 10.737 1.792 0.793 0.465 0.929 0.500 CB 0.997 15 residues pruned to eliminate duplicates Z: 36 13.524 1.799 0.439 0.384 0.857 0.429 CB 1.165 36 residues pruned to eliminate duplicates Z: 38 17.018 1.847 0.539 0.423 0.919 0.622 CB 1.160 38 residues pruned to eliminate duplicates Z: 31 13.916 1.808 0.646 0.416 0.900 0.500 CB 1.036 31 residues pruned to eliminate duplicates Z: 27 10.841 1.738 0.465 0.436 0.885 0.538 CB 1.008 28 residues pruned to eliminate duplicates Z: 14 8.238 1.653 0.058 0.601 0.923 0.538 CA 1.285 14 residues pruned to eliminate duplicates Z: 13 4.399 1.592 -0.129 0.526 0.917 0.667 CB 0.974 13 residues pruned to eliminate duplicates Z: 16 8.634 1.676 0.180 0.595 0.933 0.533 CB 1.103 16 residues pruned to eliminate duplicates Z: 22 13.665 1.761 0.542 0.522 0.905 0.571 CB 1.187 22 residues pruned to eliminate duplicates Z: 12 6.650 1.693 -0.109 0.649 1.000 0.818 CB 1.157 12 residues pruned to eliminate duplicates Z: 22 10.550 1.705 0.418 0.518 0.952 0.476 CB 0.982 22 residues pruned to eliminate duplicates Z: 8 9.185 1.715 0.390 0.753 0.857 0.857 CB 1.356 8 residues pruned to eliminate duplicates Z: 9 9.185 1.645 0.342 0.661 1.000 1.000 CA 1.267 9 residues pruned to eliminate duplicates Z: 20 15.050 1.703 0.367 0.710 1.000 0.737 CB 1.226 20 residues pruned to eliminate duplicates Z: 16 16.517 1.702 0.460 0.796 1.000 0.933 CB 1.324 16 residues pruned to eliminate duplicates Z: 23 11.972 1.592 0.477 0.620 0.909 0.682 CB 1.066 23 residues pruned to eliminate duplicates Z: 19 17.259 1.721 0.502 0.756 1.000 0.778 CB 1.254 19 residues pruned to eliminate duplicates Z: 15 17.029 1.738 0.597 0.839 0.929 0.714 CB 1.318 15 residues pruned to eliminate duplicates Z: 16 14.879 1.657 0.516 0.705 0.933 0.733 CA 1.360 16 residues pruned to eliminate duplicates Z: 23 12.529 1.628 0.507 0.664 0.955 0.591 CB 0.980 23 residues pruned to eliminate duplicates Z: 23 14.794 1.678 0.306 0.653 1.000 0.773 CB 1.248 23 residues pruned to eliminate duplicates Z: 24 13.631 1.642 0.471 0.597 0.870 0.609 CB 1.233 24 residues pruned to eliminate duplicates Z: 24 12.946 1.634 0.576 0.671 0.870 0.609 CB 1.030 22 residues pruned to eliminate duplicates 552 residues left after pruning, divided into chains as follows: A: 7 B: 9 C: 8 D: 56 E: 9 F: 12 G: 179 H: 29 I: 60 J: 17 K: 20 L: 7 M: 139 CC for partial structure against native data = 38.69 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.422, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.489, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.583, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.586, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.594, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.596, Connect. = 0.759 for dens.mod. cycle 6 = 0.300, Contrast = 0.602, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.604, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.608, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.609, Connect. = 0.763 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.50 - 3.56 - 3.10 - 2.81 - 2.61 - 2.46 - 2.33 - 2.23 - 2.14 - 2.05 0.749 0.756 0.731 0.714 0.672 0.675 0.671 0.613 0.600 0.588 0.900 0.902 0.900 0.878 0.837 0.840 0.866 0.895 0.834 0.798 N 4557 4560 4606 4652 4500 4412 4744 4459 4546 4421 Estimated mean FOM = 0.678 Pseudo-free CC = 70.48 % TimeTaking 232.33