++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:48:13 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.ins Phases from ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.phi Native data from ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.hkl Listing output to ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.lst Phases output to ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.phs Poly-Ala trace output to ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 61 Allowed origin shift code: 8 70518 Reflections read from file ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.phi 70518 Reflections read from file ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.hkl 70518 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by 0.000017h^2 +0.000017k^2 -0.000050l^2 +0.000000kl +0.000000hl +0.000017hk 42 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 256 x 256 x 22 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|> = 0.659 = 0.299, Contrast = 0.338, Connect. = 0.687 for dens.mod. cycle 1 = 0.300, Contrast = 0.390, Connect. = 0.666 for dens.mod. cycle 2 = 0.300, Contrast = 0.517, Connect. = 0.712 for dens.mod. cycle 3 = 0.300, Contrast = 0.594, Connect. = 0.733 for dens.mod. cycle 4 = 0.300, Contrast = 0.646, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.706, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.724, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.737, Connect. = 0.772 for dens.mod. cycle 9 = 0.300, Contrast = 0.748, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4652 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 1012 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 21.667 2.022 1.064 0.835 1.000 0.727 CB 1.172 B: 13 29.758 2.060 0.989 0.918 1.000 0.917 CA 1.479 C: 13 37.485 2.171 0.976 0.910 1.000 0.750 CA 1.789 D: 14 35.240 2.127 1.023 0.923 1.000 0.846 CB 1.597 E: 8 9.069 1.898 0.542 0.841 0.714 0.429 CB 1.222 8 residues pruned to eliminate duplicates F: 13 29.976 2.145 0.782 0.868 1.000 0.667 CB 1.654 13 residues pruned to eliminate duplicates G: 12 22.005 1.885 0.700 0.867 1.000 0.909 CA 1.514 H: 12 22.209 1.875 0.723 0.903 1.000 0.909 CA 1.478 12 residues pruned to eliminate duplicates I: 16 28.307 2.056 1.005 0.889 0.867 0.600 CA 1.473 J: 14 34.223 2.001 1.084 0.897 1.000 0.692 CA 1.629 14 residues pruned to eliminate duplicates K: 20 28.600 2.027 0.971 0.866 0.842 0.684 CB 1.428 16 residues pruned to eliminate duplicates L: 20 19.854 1.987 0.422 0.857 0.895 0.737 CA 1.328 M: 12 21.560 1.860 0.724 0.893 1.000 1.000 CA 1.455 12 residues pruned to eliminate duplicates N: 10 16.010 2.132 0.846 0.876 1.000 0.889 CB 0.985 10 residues pruned to eliminate duplicates O: 14 33.685 2.075 1.004 0.904 1.000 1.000 CB 1.600 14 residues pruned to eliminate duplicates P: 14 26.982 2.045 0.951 0.904 1.000 0.846 CA 1.336 14 residues pruned to eliminate duplicates Q: 12 26.623 1.991 0.971 0.896 1.000 0.818 CB 1.466 R: 10 17.898 2.088 0.950 0.873 1.000 0.889 CB 1.067 S: 14 29.874 2.056 0.913 0.902 1.000 0.769 CA 1.503 14 residues pruned to eliminate duplicates T: 13 28.287 2.080 0.969 0.933 1.000 1.000 CA 1.391 U: 10 15.391 1.881 0.589 0.882 1.000 0.667 CB 1.242 V: 13 23.050 1.910 0.732 0.884 0.917 0.500 CA 1.585 W: 41 28.065 2.017 0.875 0.465 0.875 0.550 CB 1.390 10 residues pruned to eliminate duplicates X: 17 11.311 1.997 0.802 0.346 0.688 0.625 CB 1.351 15 residues pruned to eliminate duplicates Y: 8 4.114 1.781 0.710 0.395 0.571 0.429 CB 0.998 Z: 12 28.177 1.955 0.942 0.917 1.000 0.727 CA 1.579 13 residues pruned to eliminate duplicates Z: 18 30.773 2.012 1.144 0.914 0.941 0.882 CB 1.300 Z: 11 28.793 2.159 1.038 0.907 1.000 0.200 CB 1.471 12 residues pruned to eliminate duplicates Z: 14 25.084 2.094 0.672 0.930 1.000 1.000 CB 1.389 14 residues pruned to eliminate duplicates Z: 11 12.483 1.952 0.709 0.897 0.900 0.800 CB 0.941 Z: 16 35.252 2.072 0.994 0.885 1.000 0.867 CB 1.591 Z: 13 23.406 2.056 0.874 0.892 1.000 0.833 CB 1.260 12 residues pruned to eliminate duplicates Z: 12 23.226 2.005 1.038 0.859 1.000 0.727 CB 1.261 12 residues pruned to eliminate duplicates Z: 20 29.579 2.064 0.949 0.871 0.947 0.421 CA 1.299 19 residues pruned to eliminate duplicates Z: 10 12.391 1.830 0.761 0.481 0.889 0.556 N 1.470 10 residues pruned to eliminate duplicates Z: 18 27.878 1.989 0.753 0.860 1.000 0.765 CB 1.426 18 residues pruned to eliminate duplicates Z: 17 30.857 2.047 1.095 0.842 0.938 0.500 CB 1.430 17 residues pruned to eliminate duplicates Z: 19 31.485 2.014 1.162 0.897 0.833 0.667 CA 1.464 18 residues pruned to eliminate duplicates Z: 14 29.708 2.046 0.875 0.903 1.000 0.692 CA 1.530 14 residues pruned to eliminate duplicates Z: 13 28.295 2.048 1.145 0.837 0.917 0.833 CA 1.517 Z: 104 70.944 2.102 1.131 0.636 0.903 0.583 CB 1.521 40 residues pruned to eliminate duplicates Z: 12 20.885 2.062 1.155 0.845 0.909 0.636 CB 1.158 12 residues pruned to eliminate duplicates Z: 11 20.426 2.027 0.847 0.835 1.000 0.800 CB 1.293 Z: 11 16.174 2.022 0.520 0.864 0.800 0.800 CB 1.525 11 residues pruned to eliminate duplicates Z: 13 18.329 1.851 0.706 0.867 0.917 0.750 CB 1.337 13 residues pruned to eliminate duplicates Z: 18 20.692 1.912 0.493 0.858 1.000 0.824 CA 1.295 Z: 20 31.294 2.105 0.900 0.839 0.947 0.579 CA 1.415 20 residues pruned to eliminate duplicates Z: 18 34.082 2.072 1.101 0.908 0.941 0.706 CA 1.433 18 residues pruned to eliminate duplicates Z: 13 26.900 1.930 0.881 0.887 0.917 0.750 CA 1.682 13 residues pruned to eliminate duplicates Z: 13 22.336 2.091 0.823 0.841 0.917 0.583 CA 1.375 13 residues pruned to eliminate duplicates Z: 19 29.666 2.027 0.972 0.848 0.944 0.667 CA 1.374 20 residues pruned to eliminate duplicates Z: 13 23.305 2.008 1.106 0.822 0.833 0.750 CB 1.444 13 residues pruned to eliminate duplicates Z: 12 27.852 2.046 0.990 0.907 1.000 0.909 CB 1.467 12 residues pruned to eliminate duplicates Z: 16 24.855 2.002 0.975 0.830 0.867 0.667 CA 1.408 16 residues pruned to eliminate duplicates Z: 12 14.370 1.972 0.403 0.826 1.000 0.818 CB 1.181 12 residues pruned to eliminate duplicates Z: 12 32.507 2.160 1.060 0.901 1.000 0.909 CB 1.572 12 residues pruned to eliminate duplicates Z: 13 25.690 1.968 0.627 0.905 1.000 0.750 CA 1.649 13 residues pruned to eliminate duplicates Z: 12 23.834 1.978 0.991 0.878 1.000 0.273 CB 1.324 12 residues pruned to eliminate duplicates Z: 13 9.617 2.014 0.552 0.631 0.833 0.333 CB 0.943 21 residues pruned to eliminate duplicates Z: 7 10.695 1.693 1.278 0.718 1.000 0.667 CA 0.929 Z: 13 16.982 2.119 0.705 0.752 0.917 0.667 CB 1.182 Z: 11 14.104 1.827 0.556 0.833 0.900 0.700 CA 1.308 Z: 18 29.709 2.095 0.927 0.890 0.882 0.706 CB 1.455 18 residues pruned to eliminate duplicates Z: 19 13.156 1.909 0.760 0.328 0.833 0.444 CB 1.337 Z: 17 19.693 2.017 0.996 0.440 0.875 0.438 CB 1.487 17 residues pruned to eliminate duplicates Z: 12 22.942 2.109 0.857 0.813 0.909 0.818 CB 1.480 12 residues pruned to eliminate duplicates Z: 18 31.931 2.019 0.835 0.902 0.941 0.647 CA 1.584 18 residues pruned to eliminate duplicates Z: 12 21.725 2.056 0.649 0.872 1.000 0.818 CA 1.409 13 residues pruned to eliminate duplicates Z: 12 26.424 2.012 0.951 0.871 1.000 0.727 CB 1.480 12 residues pruned to eliminate duplicates Z: 9 11.097 1.773 1.344 0.536 0.875 0.625 CB 1.042 8 residues pruned to eliminate duplicates Z: 12 12.050 1.936 0.592 0.901 0.909 0.909 CB 0.926 11 residues pruned to eliminate duplicates Z: 11 14.318 1.892 1.039 0.891 0.900 0.700 CB 0.938 12 residues pruned to eliminate duplicates Z: 13 22.292 1.791 0.899 0.887 0.917 0.833 CB 1.488 12 residues pruned to eliminate duplicates Z: 18 31.060 1.954 1.034 0.898 0.941 0.412 CB 1.440 18 residues pruned to eliminate duplicates Z: 11 19.642 1.851 0.560 0.890 1.000 0.700 CA 1.548 Z: 12 31.791 2.127 1.392 0.908 1.000 0.636 CB 1.338 12 residues pruned to eliminate duplicates Z: 13 19.558 1.851 0.946 0.888 0.917 0.667 CB 1.232 Z: 36 22.047 1.961 0.724 0.472 0.914 0.543 CA 1.240 Z: 17 22.957 2.085 0.515 0.825 0.938 0.812 CB 1.464 17 residues pruned to eliminate duplicates Z: 10 24.856 1.969 1.573 0.865 0.778 0.667 N 1.541 10 residues pruned to eliminate duplicates Z: 12 21.679 2.011 1.049 0.876 0.909 0.727 CB 1.269 12 residues pruned to eliminate duplicates Z: 36 27.335 2.009 0.832 0.489 0.943 0.571 CA 1.346 36 residues pruned to eliminate duplicates Z: 20 26.078 1.918 0.813 0.899 0.895 0.737 CA 1.375 20 residues pruned to eliminate duplicates Z: 13 9.976 1.587 0.883 0.450 0.833 0.667 N 1.218 Z: 15 25.003 1.932 0.912 0.791 1.000 0.857 CB 1.401 15 residues pruned to eliminate duplicates Z: 11 27.937 2.104 1.226 0.902 0.900 0.600 CB 1.495 Z: 12 25.156 2.171 0.544 0.937 1.000 0.909 CB 1.575 12 residues pruned to eliminate duplicates Z: 18 23.372 2.013 1.043 0.725 0.882 0.529 CB 1.275 17 residues pruned to eliminate duplicates Z: 11 11.263 1.781 0.871 0.772 0.900 0.500 CB 0.934 9 residues pruned to eliminate duplicates Z: 14 24.022 2.034 1.023 0.830 1.000 0.538 CB 1.218 14 residues pruned to eliminate duplicates Z: 12 26.476 1.984 1.158 0.887 1.000 0.727 CB 1.344 11 residues pruned to eliminate duplicates Z: 12 27.910 1.991 0.861 0.926 1.000 0.636 CB 1.592 12 residues pruned to eliminate duplicates Z: 15 31.892 2.074 1.093 0.925 1.000 0.714 CB 1.377 16 residues pruned to eliminate duplicates Z: 13 25.723 2.009 0.860 0.834 1.000 0.583 CB 1.489 13 residues pruned to eliminate duplicates Z: 15 31.343 2.054 1.083 0.936 1.000 0.786 CB 1.364 15 residues pruned to eliminate duplicates Z: 14 29.024 2.040 1.203 0.871 1.000 0.615 CA 1.307 14 residues pruned to eliminate duplicates Z: 9 10.854 1.667 0.444 0.811 0.875 0.875 CA 1.389 Z: 38 25.248 2.045 1.023 0.471 0.757 0.432 CB 1.364 38 residues pruned to eliminate duplicates Z: 22 26.285 1.983 0.841 0.876 0.857 0.619 CA 1.332 22 residues pruned to eliminate duplicates Z: 16 20.760 1.875 0.941 0.760 1.000 0.733 CB 1.169 16 residues pruned to eliminate duplicates Z: 42 38.347 2.098 1.034 0.564 0.902 0.512 CB 1.461 25 residues pruned to eliminate duplicates Z: 13 25.158 1.913 0.936 0.863 1.000 0.667 CA 1.439 13 residues pruned to eliminate duplicates Z: 10 12.720 1.747 0.502 0.810 0.889 0.556 CA 1.387 10 residues pruned to eliminate duplicates Z: 11 33.689 2.193 1.196 0.907 1.000 0.500 CB 1.572 11 residues pruned to eliminate duplicates Z: 14 24.807 2.093 0.986 0.808 0.923 0.615 CB 1.371 14 residues pruned to eliminate duplicates Z: 13 16.364 1.865 0.779 0.776 1.000 0.333 CA 1.117 13 residues pruned to eliminate duplicates Z: 6 13.494 1.729 1.135 0.729 1.000 0.800 N 1.330 Z: 12 23.547 1.969 0.965 0.874 1.000 0.364 CB 1.336 12 residues pruned to eliminate duplicates Z: 10 19.996 2.090 0.544 0.904 1.000 1.000 CA 1.470 10 residues pruned to eliminate duplicates Z: 10 13.904 1.907 0.605 0.848 1.000 0.778 CA 1.123 9 residues pruned to eliminate duplicates Z: 7 6.457 1.576 0.738 0.847 0.833 0.833 CB 0.857 7 residues pruned to eliminate duplicates Z: 21 26.218 1.989 0.823 0.863 1.000 0.800 CA 1.186 21 residues pruned to eliminate duplicates Z: 13 36.943 2.107 1.486 0.921 1.000 0.833 CB 1.433 13 residues pruned to eliminate duplicates Z: 13 17.246 1.875 0.525 0.884 1.000 0.833 CA 1.259 13 residues pruned to eliminate duplicates Z: 18 25.996 2.051 1.222 0.811 0.824 0.588 CB 1.282 18 residues pruned to eliminate duplicates Z: 18 28.565 1.963 0.725 0.903 1.000 0.882 CA 1.459 18 residues pruned to eliminate duplicates Z: 7 3.578 1.736 0.887 0.497 0.500 0.333 N 0.895 Z: 12 26.919 2.050 1.069 0.841 1.000 0.636 CB 1.427 12 residues pruned to eliminate duplicates Z: 15 25.590 1.912 0.742 0.910 1.000 0.929 CB 1.457 Z: 13 17.760 1.945 0.648 0.843 1.000 0.833 CB 1.192 11 residues pruned to eliminate duplicates Z: 21 27.562 2.040 0.835 0.879 0.900 0.700 CA 1.327 21 residues pruned to eliminate duplicates Z: 10 15.717 2.182 0.813 0.848 0.667 0.444 CB 1.474 10 residues pruned to eliminate duplicates Z: 10 27.415 2.197 1.119 0.897 1.000 0.889 CB 1.405 10 residues pruned to eliminate duplicates Z: 13 42.446 2.187 1.296 0.903 1.000 0.583 CB 1.739 14 residues pruned to eliminate duplicates Z: 17 30.849 2.170 0.987 0.840 0.938 0.625 CB 1.423 17 residues pruned to eliminate duplicates Z: 46 31.908 2.052 0.850 0.619 0.911 0.600 CB 1.229 43 residues pruned to eliminate duplicates Z: 10 22.401 2.031 0.645 0.827 1.000 0.556 CB 1.684 10 residues pruned to eliminate duplicates Z: 16 18.314 1.767 0.383 0.903 1.000 0.933 CB 1.379 16 residues pruned to eliminate duplicates Z: 21 30.871 1.994 0.825 0.874 0.950 0.650 CA 1.454 21 residues pruned to eliminate duplicates Z: 13 38.663 2.225 1.135 0.908 1.000 0.667 CB 1.669 13 residues pruned to eliminate duplicates Z: 12 28.323 2.041 1.018 0.884 1.000 0.727 CB 1.497 12 residues pruned to eliminate duplicates Z: 12 16.081 1.940 0.525 0.874 0.909 0.818 CB 1.312 12 residues pruned to eliminate duplicates Z: 16 34.627 2.100 0.967 0.921 1.000 0.800 CB 1.524 16 residues pruned to eliminate duplicates Z: 12 22.024 2.094 1.077 0.850 0.909 0.727 CB 1.244 12 residues pruned to eliminate duplicates Z: 11 7.107 1.599 1.012 0.466 0.800 0.600 CB 0.903 11 residues pruned to eliminate duplicates Z: 12 18.746 2.150 0.491 0.824 1.000 0.727 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 19.708 2.037 0.544 0.888 1.000 1.000 CA 1.303 13 residues pruned to eliminate duplicates Z: 6 4.079 1.492 0.282 0.682 1.000 0.800 CB 0.807 6 residues pruned to eliminate duplicates Z: 6 5.387 1.847 0.238 0.546 0.800 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 34 28.115 2.009 0.896 0.667 0.909 0.606 CB 1.211 25 residues pruned to eliminate duplicates Z: 39 17.809 1.861 0.759 0.371 0.868 0.474 CB 1.167 48 residues pruned to eliminate duplicates Z: 14 30.582 2.078 1.019 0.885 1.000 0.692 CA 1.460 14 residues pruned to eliminate duplicates Z: 12 32.333 2.148 1.408 0.908 1.000 0.273 CB 1.339 12 residues pruned to eliminate duplicates Z: 32 32.129 2.051 1.222 0.525 0.871 0.516 CB 1.418 32 residues pruned to eliminate duplicates Z: 8 11.402 1.907 0.857 0.585 1.000 0.857 CB 1.122 8 residues pruned to eliminate duplicates Z: 28 22.416 2.025 0.941 0.581 0.852 0.481 CB 1.193 28 residues pruned to eliminate duplicates Z: 24 15.326 1.832 0.767 0.440 0.826 0.522 CB 1.272 Z: 13 15.245 1.664 0.945 0.912 0.917 0.917 CA 1.050 11 residues pruned to eliminate duplicates Z: 20 23.731 2.055 0.814 0.818 0.842 0.737 CB 1.316 20 residues pruned to eliminate duplicates Z: 19 27.179 1.931 0.707 0.861 1.000 0.833 CB 1.427 17 residues pruned to eliminate duplicates Z: 11 18.043 1.929 0.674 0.871 0.900 0.600 CB 1.432 11 residues pruned to eliminate duplicates Z: 12 30.259 1.949 1.418 0.899 0.909 0.636 CB 1.522 12 residues pruned to eliminate duplicates Z: 13 15.958 1.832 1.038 0.801 0.750 0.417 CB 1.264 13 residues pruned to eliminate duplicates Z: 6 3.940 1.667 0.650 0.470 0.800 0.600 CA 0.825 Z: 19 30.097 1.965 1.133 0.823 0.944 0.667 CA 1.354 19 residues pruned to eliminate duplicates Z: 18 31.199 1.919 0.932 0.907 1.000 0.824 CA 1.451 18 residues pruned to eliminate duplicates Z: 67 57.627 2.043 0.933 0.749 0.970 0.667 CB 1.483 63 residues pruned to eliminate duplicates Z: 15 19.819 1.873 0.593 0.897 0.929 0.929 CA 1.369 15 residues pruned to eliminate duplicates Z: 13 14.482 1.865 0.801 0.856 0.917 0.667 CB 1.002 11 residues pruned to eliminate duplicates Z: 19 26.219 1.959 0.828 0.895 0.889 0.833 CA 1.391 19 residues pruned to eliminate duplicates Z: 18 26.100 1.917 0.880 0.915 0.941 0.706 CB 1.319 18 residues pruned to eliminate duplicates Z: 44 31.605 1.969 0.805 0.522 0.884 0.605 CB 1.501 25 residues pruned to eliminate duplicates Z: 15 30.517 2.072 1.036 0.891 1.000 0.714 CB 1.390 15 residues pruned to eliminate duplicates Z: 11 22.683 2.105 0.699 0.894 1.000 0.900 CA 1.440 11 residues pruned to eliminate duplicates Z: 57 43.892 2.054 0.919 0.620 0.893 0.696 CB 1.489 54 residues pruned to eliminate duplicates Z: 18 24.579 1.863 1.156 0.857 1.000 0.706 CA 1.094 18 residues pruned to eliminate duplicates Z: 14 32.199 2.048 1.004 0.887 1.000 0.462 CB 1.569 14 residues pruned to eliminate duplicates Z: 25 27.587 2.048 0.985 0.685 0.917 0.625 CB 1.275 18 residues pruned to eliminate duplicates Z: 20 25.519 1.991 0.910 0.788 0.895 0.684 CB 1.336 20 residues pruned to eliminate duplicates Z: 17 21.974 1.993 0.680 0.901 0.812 0.625 CB 1.441 17 residues pruned to eliminate duplicates Z: 11 8.178 1.779 0.790 0.385 0.900 0.500 CB 1.019 11 residues pruned to eliminate duplicates Z: 22 10.992 1.768 0.587 0.414 0.810 0.619 CB 1.155 22 residues pruned to eliminate duplicates Z: 8 7.520 1.752 0.615 0.417 1.000 0.286 N 1.095 5 residues pruned to eliminate duplicates Z: 44 35.829 2.057 0.873 0.598 0.953 0.744 CB 1.354 44 residues pruned to eliminate duplicates Z: 15 22.388 2.035 0.900 0.924 1.000 1.000 CB 1.087 15 residues pruned to eliminate duplicates Z: 9 3.142 1.649 0.713 0.195 0.500 0.375 CB 1.131 Z: 12 19.022 1.811 0.677 0.865 1.000 0.818 CB 1.383 12 residues pruned to eliminate duplicates Z: 13 29.521 2.074 1.245 0.897 0.917 0.667 CB 1.429 13 residues pruned to eliminate duplicates Z: 20 35.339 2.072 1.101 0.848 0.947 0.421 CA 1.459 19 residues pruned to eliminate duplicates Z: 6 5.193 1.526 0.822 0.573 0.800 0.600 CA 0.973 6 residues pruned to eliminate duplicates Z: 11 25.181 2.095 1.018 0.905 0.900 0.700 CA 1.490 11 residues pruned to eliminate duplicates Z: 12 21.955 1.990 1.002 0.871 1.000 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 12 21.269 2.080 0.680 0.879 1.000 1.000 CA 1.331 12 residues pruned to eliminate duplicates Z: 18 22.226 1.851 0.645 0.887 0.941 0.765 CB 1.356 18 residues pruned to eliminate duplicates Z: 18 20.700 1.883 0.413 0.854 1.000 0.765 CA 1.394 18 residues pruned to eliminate duplicates Z: 7 7.221 1.916 0.394 0.763 0.833 0.667 CA 1.049 7 residues pruned to eliminate duplicates Z: 15 15.839 1.998 0.538 0.815 0.786 0.714 CA 1.333 16 residues pruned to eliminate duplicates Z: 13 23.216 1.800 0.956 0.932 0.917 0.667 CA 1.450 13 residues pruned to eliminate duplicates Z: 20 20.152 1.856 0.572 0.884 0.947 0.789 CA 1.209 20 residues pruned to eliminate duplicates Z: 7 4.530 1.478 0.354 0.603 0.833 0.333 CA 1.006 Z: 8 13.401 1.831 1.432 0.845 1.000 1.000 CB 0.846 8 residues pruned to eliminate duplicates Z: 12 19.640 2.226 0.594 0.832 0.909 0.727 CB 1.378 12 residues pruned to eliminate duplicates Z: 13 24.182 1.848 1.257 0.893 0.917 0.833 CA 1.311 13 residues pruned to eliminate duplicates Z: 11 26.737 2.217 0.871 0.863 1.000 0.700 CB 1.495 12 residues pruned to eliminate duplicates Z: 12 31.605 2.058 1.484 0.854 0.909 0.364 CB 1.515 12 residues pruned to eliminate duplicates Z: 6 4.867 1.643 0.535 0.293 0.800 0.600 CB 1.360 Z: 56 44.627 2.010 0.935 0.706 0.909 0.691 CB 1.411 56 residues pruned to eliminate duplicates Z: 22 16.717 1.957 0.763 0.400 0.810 0.571 CA 1.451 22 residues pruned to eliminate duplicates Z: 12 17.384 1.738 0.715 0.843 0.909 0.727 CA 1.440 12 residues pruned to eliminate duplicates Z: 14 18.188 1.993 0.491 0.802 1.000 0.769 CB 1.304 14 residues pruned to eliminate duplicates Z: 11 22.196 1.984 1.152 0.847 0.800 0.800 CA 1.525 11 residues pruned to eliminate duplicates Z: 16 35.864 2.094 1.151 0.935 1.000 0.800 CB 1.433 16 residues pruned to eliminate duplicates Z: 8 16.463 1.670 1.122 0.889 1.000 0.571 CA 1.265 8 residues pruned to eliminate duplicates Z: 15 15.410 1.768 0.445 0.930 1.000 0.929 CB 1.127 Z: 8 5.162 1.834 0.187 0.334 0.714 0.571 CA 1.505 Z: 8 7.871 1.842 0.406 0.751 0.857 0.429 CB 1.071 8 residues pruned to eliminate duplicates Z: 35 30.693 2.017 0.968 0.492 0.941 0.588 CA 1.421 36 residues pruned to eliminate duplicates Z: 17 17.460 1.742 0.775 0.838 0.938 0.500 CB 1.125 15 residues pruned to eliminate duplicates Z: 18 25.226 1.928 1.017 0.867 0.882 0.588 CB 1.304 18 residues pruned to eliminate duplicates Z: 12 13.887 1.721 0.582 0.791 1.000 0.636 CB 1.191 Z: 10 16.843 1.884 0.457 0.882 1.000 0.778 CA 1.480 10 residues pruned to eliminate duplicates Z: 11 29.489 2.127 1.095 0.870 1.000 1.000 CB 1.527 11 residues pruned to eliminate duplicates Z: 14 32.198 2.102 1.103 0.857 1.000 0.538 CB 1.488 14 residues pruned to eliminate duplicates Z: 12 24.929 2.133 0.700 0.914 1.000 1.000 CA 1.466 11 residues pruned to eliminate duplicates Z: 12 15.086 1.995 0.517 0.870 0.909 0.818 CA 1.207 12 residues pruned to eliminate duplicates Z: 13 31.455 2.095 1.187 0.885 1.000 0.833 CB 1.432 13 residues pruned to eliminate duplicates Z: 9 11.354 1.754 0.645 0.730 0.875 0.375 CB 1.293 9 residues pruned to eliminate duplicates Z: 15 23.533 1.904 0.766 0.868 0.929 0.714 CA 1.473 15 residues pruned to eliminate duplicates Z: 12 18.646 1.898 0.490 0.914 1.000 1.000 CA 1.406 12 residues pruned to eliminate duplicates Z: 11 29.529 2.034 1.007 0.896 1.000 0.800 CA 1.639 11 residues pruned to eliminate duplicates Z: 30 13.576 1.835 0.770 0.443 0.724 0.379 CB 1.137 12 residues pruned to eliminate duplicates Z: 13 20.232 1.851 1.088 0.862 1.000 0.583 CA 1.109 13 residues pruned to eliminate duplicates Z: 9 14.687 2.125 0.345 0.842 0.875 0.875 CA 1.547 9 residues pruned to eliminate duplicates Z: 15 23.077 1.913 0.807 0.908 0.857 0.857 CA 1.478 15 residues pruned to eliminate duplicates Z: 12 19.997 1.995 0.502 0.880 0.909 0.636 CA 1.604 12 residues pruned to eliminate duplicates Z: 13 23.084 1.888 0.811 0.812 1.000 0.583 CB 1.486 13 residues pruned to eliminate duplicates Z: 12 31.044 2.052 1.199 0.865 1.000 0.818 CB 1.520 12 residues pruned to eliminate duplicates Z: 13 12.776 1.810 0.413 0.867 0.917 0.750 CA 1.151 13 residues pruned to eliminate duplicates Z: 18 30.264 1.961 1.096 0.869 0.941 0.529 CB 1.386 18 residues pruned to eliminate duplicates Z: 11 21.837 1.928 0.659 0.885 1.000 0.900 CB 1.559 11 residues pruned to eliminate duplicates Z: 94 56.397 2.049 0.952 0.678 0.914 0.602 CB 1.359 85 residues pruned to eliminate duplicates Z: 12 5.789 1.708 0.425 0.420 0.636 0.273 CB 1.225 Z: 17 34.450 2.065 0.965 0.864 1.000 0.625 CB 1.556 17 residues pruned to eliminate duplicates Z: 12 22.887 2.000 0.758 0.860 1.000 0.818 CA 1.443 12 residues pruned to eliminate duplicates Z: 13 19.160 2.060 0.701 0.779 0.917 0.667 CB 1.347 13 residues pruned to eliminate duplicates Z: 6 5.060 1.677 0.755 0.869 0.600 0.400 CA 0.936 6 residues pruned to eliminate duplicates Z: 12 29.703 2.071 1.153 0.844 1.000 0.455 CB 1.494 12 residues pruned to eliminate duplicates Z: 8 12.701 1.997 0.354 0.869 1.000 0.857 CB 1.297 8 residues pruned to eliminate duplicates Z: 18 24.007 1.944 0.752 0.823 0.941 0.647 CA 1.373 18 residues pruned to eliminate duplicates Z: 7 5.514 1.907 0.420 0.476 0.667 0.667 N 1.278 7 residues pruned to eliminate duplicates Z: 19 19.498 2.002 0.347 0.875 0.889 0.722 CA 1.394 19 residues pruned to eliminate duplicates Z: 20 26.471 1.968 0.734 0.870 0.947 0.842 CA 1.372 20 residues pruned to eliminate duplicates Z: 7 5.439 1.613 0.859 0.803 1.000 0.667 CB 0.568 Z: 14 36.045 2.135 1.078 0.908 1.000 0.538 CB 1.600 14 residues pruned to eliminate duplicates Z: 12 29.626 2.081 0.929 0.866 1.000 0.818 CB 1.628 12 residues pruned to eliminate duplicates Z: 16 29.146 1.958 1.258 0.911 0.867 0.667 CB 1.392 16 residues pruned to eliminate duplicates Z: 7 11.276 1.946 0.557 0.867 0.833 0.833 CB 1.334 7 residues pruned to eliminate duplicates Z: 6 12.854 1.837 0.923 0.584 1.000 0.400 N 1.501 7 residues pruned to eliminate duplicates Z: 11 14.153 1.748 0.684 0.908 0.900 0.500 CA 1.200 11 residues pruned to eliminate duplicates Z: 19 28.157 2.073 0.705 0.869 0.944 0.778 CA 1.453 19 residues pruned to eliminate duplicates Z: 13 20.790 2.084 0.649 0.852 1.000 0.917 CA 1.291 13 residues pruned to eliminate duplicates Z: 6 5.307 1.860 0.573 0.714 0.800 0.600 CB 0.835 6 residues pruned to eliminate duplicates Z: 15 23.018 1.910 0.678 0.877 0.929 0.714 CB 1.501 15 residues pruned to eliminate duplicates Z: 12 16.383 2.020 0.521 0.882 1.000 0.727 CA 1.163 12 residues pruned to eliminate duplicates Z: 11 14.157 1.982 0.521 0.517 1.000 0.700 CB 1.460 11 residues pruned to eliminate duplicates Z: 15 21.017 1.856 0.508 0.929 1.000 0.786 CA 1.405 15 residues pruned to eliminate duplicates Z: 11 19.748 2.040 0.991 0.833 0.900 0.700 CB 1.281 11 residues pruned to eliminate duplicates Z: 15 12.709 1.931 0.786 0.339 0.857 0.429 CB 1.370 15 residues pruned to eliminate duplicates Z: 88 61.523 2.074 1.041 0.675 0.885 0.517 CB 1.497 88 residues pruned to eliminate duplicates Z: 11 12.043 1.936 0.779 0.776 0.800 0.700 CB 1.083 11 residues pruned to eliminate duplicates Z: 13 29.138 1.991 1.150 0.906 1.000 0.917 CA 1.397 13 residues pruned to eliminate duplicates Z: 11 21.887 1.934 0.615 0.914 1.000 0.800 CB 1.567 11 residues pruned to eliminate duplicates Z: 52 35.372 2.011 1.133 0.586 0.824 0.471 CB 1.291 52 residues pruned to eliminate duplicates Z: 10 18.101 1.913 0.629 0.884 1.000 1.000 CB 1.399 10 residues pruned to eliminate duplicates Z: 12 16.896 1.825 0.685 0.870 1.000 0.727 CB 1.210 12 residues pruned to eliminate duplicates Z: 12 26.628 1.979 0.859 0.897 0.909 0.818 CA 1.719 12 residues pruned to eliminate duplicates Z: 12 11.680 1.622 0.486 0.900 0.909 0.636 CA 1.149 12 residues pruned to eliminate duplicates Z: 16 21.276 2.091 0.875 0.832 0.933 0.600 CB 1.127 16 residues pruned to eliminate duplicates Z: 12 24.464 1.874 1.230 0.864 0.909 0.818 CB 1.424 12 residues pruned to eliminate duplicates Z: 9 23.869 2.060 0.831 0.875 1.000 0.750 CB 1.628 9 residues pruned to eliminate duplicates Z: 6 3.253 1.595 0.342 0.463 0.800 0.600 CB 0.883 Z: 21 20.788 2.048 0.654 0.604 0.850 0.700 CB 1.462 21 residues pruned to eliminate duplicates Z: 23 21.914 2.065 0.942 0.609 0.773 0.364 CA 1.359 23 residues pruned to eliminate duplicates Z: 30 25.732 2.066 1.035 0.595 0.793 0.552 CB 1.308 31 residues pruned to eliminate duplicates Z: 10 8.541 1.767 0.438 0.612 1.000 0.667 CB 1.008 Z: 8 5.834 1.731 0.603 0.418 0.857 0.429 CB 1.009 8 residues pruned to eliminate duplicates Z: 7 3.714 1.692 0.480 0.746 0.833 0.667 CB 0.583 Z: 19 31.986 2.003 1.186 0.690 0.944 0.611 CA 1.533 19 residues pruned to eliminate duplicates Z: 9 19.116 2.111 0.997 0.896 0.875 0.625 CB 1.313 9 residues pruned to eliminate duplicates Z: 9 10.053 1.632 0.416 0.822 1.000 0.750 CB 1.164 8 residues pruned to eliminate duplicates Z: 28 16.507 1.786 0.972 0.492 0.778 0.593 CB 1.169 28 residues pruned to eliminate duplicates Z: 31 20.319 1.995 0.899 0.462 0.833 0.600 CB 1.221 37 residues pruned to eliminate duplicates Z: 11 12.252 1.943 0.999 0.829 0.800 0.800 CB 0.939 11 residues pruned to eliminate duplicates Z: 11 17.067 1.881 0.516 0.897 1.000 0.900 CB 1.355 11 residues pruned to eliminate duplicates Z: 16 21.708 1.781 0.626 0.893 1.000 0.800 CB 1.389 16 residues pruned to eliminate duplicates Z: 16 17.470 1.724 1.072 0.846 0.867 0.600 CB 1.083 16 residues pruned to eliminate duplicates Z: 13 12.571 1.743 0.717 0.516 0.833 0.667 CB 1.433 13 residues pruned to eliminate duplicates Z: 22 18.109 1.621 0.845 0.790 0.952 0.619 CB 1.076 15 residues pruned to eliminate duplicates Z: 14 19.353 1.775 0.834 0.860 0.923 0.769 CA 1.313 18 residues pruned to eliminate duplicates Z: 6 13.473 1.894 1.320 0.658 1.000 0.800 CA 1.184 5 residues pruned to eliminate duplicates Z: 98 71.503 2.106 1.040 0.695 0.928 0.660 CB 1.525 98 residues pruned to eliminate duplicates Z: 6 6.226 1.643 0.595 0.761 0.800 0.400 CB 1.053 6 residues pruned to eliminate duplicates Z: 15 33.924 2.045 1.219 0.923 1.000 0.571 CB 1.404 15 residues pruned to eliminate duplicates Z: 14 22.951 1.965 0.896 0.909 1.000 0.615 CB 1.213 14 residues pruned to eliminate duplicates Z: 8 3.752 1.582 0.349 0.306 0.714 0.429 CB 1.154 Z: 6 3.865 1.639 -0.118 0.750 1.000 0.600 CA 0.956 7 residues pruned to eliminate duplicates Z: 7 6.972 1.542 0.372 0.818 1.000 0.667 CB 1.021 7 residues pruned to eliminate duplicates Z: 20 11.956 1.885 0.898 0.336 0.632 0.474 CA 1.453 20 residues pruned to eliminate duplicates Z: 23 9.997 1.789 0.450 0.276 0.864 0.500 CB 1.226 23 residues pruned to eliminate duplicates Z: 16 26.581 1.828 0.871 0.931 1.000 0.933 CA 1.402 22 residues pruned to eliminate duplicates Z: 10 15.469 1.952 0.769 0.905 1.000 0.889 CB 1.063 10 residues pruned to eliminate duplicates Z: 13 20.562 1.986 0.827 0.784 1.000 0.833 CA 1.274 13 residues pruned to eliminate duplicates Z: 14 12.805 1.767 0.297 0.902 1.000 0.846 CB 1.105 14 residues pruned to eliminate duplicates Z: 17 31.100 2.080 1.039 0.867 0.875 0.625 CA 1.533 17 residues pruned to eliminate duplicates Z: 16 26.280 1.967 1.050 0.752 0.933 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 12 16.836 1.829 0.522 0.856 1.000 0.636 CB 1.344 12 residues pruned to eliminate duplicates Z: 6 3.080 1.543 -0.013 0.614 0.800 0.600 CB 1.015 6 residues pruned to eliminate duplicates Z: 19 18.804 2.008 0.834 0.603 0.778 0.500 CB 1.403 13 residues pruned to eliminate duplicates Z: 16 17.640 1.854 0.651 0.810 0.867 0.733 CA 1.311 16 residues pruned to eliminate duplicates Z: 127 67.350 2.035 0.927 0.628 0.921 0.556 CB 1.474 131 residues pruned to eliminate duplicates Z: 7 2.158 1.633 0.478 0.308 0.833 0.500 CB 0.542 Z: 16 15.092 1.727 0.275 0.921 1.000 0.933 CB 1.246 17 residues pruned to eliminate duplicates Z: 7 7.572 1.746 0.534 0.754 0.667 0.500 CB 1.380 7 residues pruned to eliminate duplicates Z: 11 16.034 1.834 0.654 0.843 1.000 0.600 CB 1.245 11 residues pruned to eliminate duplicates Z: 11 17.177 1.855 0.496 0.892 1.000 0.900 CA 1.406 11 residues pruned to eliminate duplicates Z: 40 28.637 1.967 0.800 0.580 0.872 0.410 CB 1.375 40 residues pruned to eliminate duplicates Z: 11 8.783 1.895 0.847 0.801 0.700 0.400 CB 0.871 11 residues pruned to eliminate duplicates Z: 39 39.434 1.982 0.904 0.670 0.921 0.447 CB 1.572 39 residues pruned to eliminate duplicates Z: 20 25.677 2.025 0.469 0.845 1.000 0.684 CA 1.472 20 residues pruned to eliminate duplicates Z: 41 26.380 1.999 0.909 0.455 0.800 0.425 CB 1.430 41 residues pruned to eliminate duplicates Z: 19 18.002 1.859 1.094 0.413 0.833 0.389 CB 1.433 18 residues pruned to eliminate duplicates Z: 13 19.138 1.903 0.735 0.821 1.000 0.833 CB 1.266 13 residues pruned to eliminate duplicates Z: 9 9.872 1.952 0.719 0.358 0.875 0.500 CA 1.385 10 residues pruned to eliminate duplicates Z: 6 7.714 1.520 0.870 0.654 1.000 1.000 O 1.052 Z: 11 20.193 1.851 0.641 0.895 1.000 0.900 CA 1.508 11 residues pruned to eliminate duplicates Z: 40 31.873 2.072 0.883 0.484 0.923 0.615 CB 1.441 42 residues pruned to eliminate duplicates Z: 18 19.747 1.901 0.781 0.838 0.941 0.529 CB 1.123 18 residues pruned to eliminate duplicates Z: 19 36.640 1.976 1.102 0.931 0.944 0.500 CA 1.538 19 residues pruned to eliminate duplicates Z: 10 13.763 1.795 0.845 0.865 0.889 0.667 CA 1.142 12 residues pruned to eliminate duplicates Z: 10 11.054 1.883 0.546 0.860 1.000 0.556 CB 0.931 10 residues pruned to eliminate duplicates Z: 15 20.205 1.883 0.473 0.891 0.929 0.786 CA 1.508 15 residues pruned to eliminate duplicates Z: 14 24.068 1.989 0.926 0.909 0.923 0.769 CA 1.340 14 residues pruned to eliminate duplicates Z: 10 18.632 1.896 0.627 0.868 1.000 0.778 CB 1.472 10 residues pruned to eliminate duplicates Z: 8 4.047 1.832 0.277 0.305 0.571 0.429 CA 1.422 Z: 7 2.591 1.350 0.413 0.368 0.667 0.500 CB 0.958 Z: 6 3.241 1.574 0.510 0.402 0.600 0.400 O 1.128 Z: 28 19.602 1.796 0.391 0.682 0.926 0.667 CB 1.380 28 residues pruned to eliminate duplicates Z: 33 21.033 1.901 0.886 0.531 0.812 0.500 CB 1.238 33 residues pruned to eliminate duplicates Z: 14 8.785 1.584 0.458 0.447 0.923 0.538 CB 1.207 Z: 8 18.708 1.874 1.141 0.838 1.000 1.000 CB 1.317 8 residues pruned to eliminate duplicates Z: 8 6.907 1.566 0.555 0.514 0.857 0.571 N 1.233 7 residues pruned to eliminate duplicates Z: 7 6.785 1.717 0.617 0.429 0.833 0.333 CB 1.288 7 residues pruned to eliminate duplicates Z: 10 18.238 1.920 0.772 0.911 0.889 0.556 CB 1.425 10 residues pruned to eliminate duplicates Z: 11 16.998 1.889 0.865 0.831 0.900 0.600 CB 1.274 11 residues pruned to eliminate duplicates Z: 16 13.173 1.620 0.530 0.629 0.933 0.667 CA 1.303 13 residues pruned to eliminate duplicates Z: 13 8.602 1.802 0.499 0.309 1.000 0.750 CA 1.135 Z: 65 52.606 2.067 0.859 0.701 0.938 0.688 CB 1.519 65 residues pruned to eliminate duplicates Z: 6 10.966 2.061 0.554 0.819 0.800 0.600 CB 1.452 6 residues pruned to eliminate duplicates Z: 8 8.146 1.556 0.720 0.620 0.857 0.714 CA 1.199 8 residues pruned to eliminate duplicates Z: 11 25.109 2.159 1.024 0.903 1.000 0.700 CB 1.295 11 residues pruned to eliminate duplicates Z: 13 15.887 1.836 0.614 0.821 1.000 0.583 CA 1.172 13 residues pruned to eliminate duplicates Z: 12 23.073 1.986 0.535 0.923 1.000 0.909 CA 1.604 12 residues pruned to eliminate duplicates Z: 11 15.792 1.649 0.836 0.867 1.000 0.900 CA 1.207 Z: 19 16.330 1.710 0.781 0.736 0.889 0.667 CA 1.151 19 residues pruned to eliminate duplicates Z: 19 34.821 2.116 1.055 0.900 0.944 0.722 CB 1.427 19 residues pruned to eliminate duplicates Z: 10 13.403 1.810 0.383 0.919 1.000 0.889 CA 1.258 10 residues pruned to eliminate duplicates Z: 35 28.150 1.990 0.916 0.558 0.853 0.559 CB 1.402 31 residues pruned to eliminate duplicates Z: 10 10.673 1.882 0.553 0.416 1.000 0.778 CB 1.328 Z: 13 18.786 1.878 0.676 0.822 1.000 0.833 CB 1.303 13 residues pruned to eliminate duplicates Z: 115 70.330 2.059 0.913 0.712 0.912 0.632 CB 1.513 115 residues pruned to eliminate duplicates Z: 16 29.817 2.034 1.042 0.894 0.933 0.867 CA 1.425 16 residues pruned to eliminate duplicates Z: 9 7.023 1.803 0.575 0.545 1.000 0.625 CB 0.837 Z: 20 26.409 2.068 1.037 0.871 0.947 0.789 CA 1.108 20 residues pruned to eliminate duplicates Z: 12 10.801 1.736 0.663 0.769 0.727 0.364 CB 1.223 12 residues pruned to eliminate duplicates Z: 12 23.992 2.053 0.803 0.862 1.000 1.000 CB 1.435 12 residues pruned to eliminate duplicates Z: 30 24.910 1.996 0.797 0.528 0.966 0.483 CB 1.300 30 residues pruned to eliminate duplicates Z: 15 13.360 1.705 0.870 0.537 0.857 0.571 CB 1.259 15 residues pruned to eliminate duplicates Z: 9 7.414 1.815 0.411 0.769 0.875 0.500 CA 0.922 9 residues pruned to eliminate duplicates Z: 11 4.701 1.693 0.108 0.301 1.000 0.700 CA 0.990 11 residues pruned to eliminate duplicates Z: 12 18.731 1.938 0.725 0.825 1.000 0.636 CA 1.275 12 residues pruned to eliminate duplicates Z: 11 13.750 2.029 0.512 0.861 0.800 0.700 CB 1.302 11 residues pruned to eliminate duplicates Z: 14 19.637 1.944 0.599 0.907 1.000 0.846 CA 1.246 14 residues pruned to eliminate duplicates Z: 65 53.948 2.121 0.840 0.739 0.938 0.609 CB 1.487 65 residues pruned to eliminate duplicates Z: 10 8.172 1.593 0.208 0.877 1.000 0.889 CB 1.029 Z: 17 31.815 1.955 1.059 0.882 1.000 0.562 CB 1.430 17 residues pruned to eliminate duplicates Z: 19 33.941 2.066 0.960 0.871 0.944 0.778 CB 1.526 19 residues pruned to eliminate duplicates Z: 7 4.409 1.712 0.701 0.464 0.833 0.500 CB 0.769 7 residues pruned to eliminate duplicates Z: 13 12.028 1.617 0.768 0.688 0.917 0.667 CB 1.115 13 residues pruned to eliminate duplicates Z: 13 18.147 1.933 0.686 0.803 1.000 0.667 CA 1.233 13 residues pruned to eliminate duplicates Z: 10 14.775 1.791 0.902 0.854 0.889 0.444 CA 1.201 10 residues pruned to eliminate duplicates Z: 6 5.961 1.816 0.454 0.339 0.800 0.600 CB 1.503 Z: 13 17.844 1.951 0.486 0.842 1.000 0.917 CB 1.323 13 residues pruned to eliminate duplicates Z: 12 23.700 1.903 0.841 0.885 1.000 0.545 CB 1.473 12 residues pruned to eliminate duplicates Z: 13 9.613 1.866 0.489 0.429 0.917 0.667 CB 1.174 Z: 6 6.286 1.443 0.778 0.599 1.000 0.600 N 0.996 Z: 7 4.410 1.655 0.386 0.521 0.833 0.500 CA 0.923 7 residues pruned to eliminate duplicates Z: 12 26.679 2.162 1.106 0.909 0.909 0.818 CA 1.379 12 residues pruned to eliminate duplicates Z: 13 18.503 1.798 0.864 0.898 0.833 0.583 CA 1.368 13 residues pruned to eliminate duplicates Z: 16 23.887 1.821 0.798 0.907 0.933 0.400 CA 1.435 15 residues pruned to eliminate duplicates Z: 18 16.744 1.637 0.583 0.883 1.000 0.824 CB 1.133 18 residues pruned to eliminate duplicates Z: 7 8.651 1.904 0.594 0.472 0.833 0.500 CA 1.437 Z: 7 8.921 1.861 0.660 0.371 1.000 0.667 CB 1.353 6 residues pruned to eliminate duplicates Z: 13 8.270 1.840 0.652 0.429 0.750 0.417 CB 1.128 13 residues pruned to eliminate duplicates Z: 16 34.558 2.042 1.029 0.938 1.000 0.733 CB 1.497 16 residues pruned to eliminate duplicates Z: 18 16.758 1.971 0.401 0.771 0.941 0.882 CB 1.231 18 residues pruned to eliminate duplicates Z: 80 59.082 2.054 0.917 0.727 0.886 0.608 CB 1.553 80 residues pruned to eliminate duplicates Z: 10 8.130 1.573 0.345 0.830 1.000 0.778 CB 0.963 10 residues pruned to eliminate duplicates Z: 12 11.850 1.759 0.869 0.795 0.818 0.727 CA 1.025 12 residues pruned to eliminate duplicates Z: 8 5.652 1.638 0.814 0.475 0.857 0.714 CA 0.860 8 residues pruned to eliminate duplicates Z: 11 14.270 1.750 0.735 0.889 1.000 0.600 CB 1.070 11 residues pruned to eliminate duplicates Z: 22 12.529 1.636 0.417 0.612 0.905 0.571 CB 1.172 15 residues pruned to eliminate duplicates Z: 7 3.057 1.685 -0.101 0.250 0.833 0.500 CB 1.319 Z: 17 28.847 2.055 0.927 0.646 0.938 0.625 CB 1.694 17 residues pruned to eliminate duplicates Z: 12 17.095 1.946 0.860 0.895 1.000 0.636 CB 1.021 12 residues pruned to eliminate duplicates Z: 10 12.863 1.882 0.907 0.834 1.000 0.222 CB 0.896 10 residues pruned to eliminate duplicates Z: 6 6.472 1.747 0.118 0.750 1.000 0.800 N 1.185 7 residues pruned to eliminate duplicates Z: 19 11.535 1.881 0.559 0.420 0.889 0.500 CB 1.133 24 residues pruned to eliminate duplicates Z: 11 6.205 1.824 0.469 0.257 0.900 0.600 CB 1.076 6 residues pruned to eliminate duplicates Z: 22 15.408 1.765 0.600 0.496 0.905 0.524 CB 1.322 23 residues pruned to eliminate duplicates Z: 18 35.263 2.020 1.235 0.892 1.000 0.647 CB 1.360 18 residues pruned to eliminate duplicates Z: 9 8.224 1.702 0.711 0.450 1.000 1.000 CB 1.051 9 residues pruned to eliminate duplicates Z: 15 12.588 1.587 0.375 0.860 1.000 0.643 CB 1.134 15 residues pruned to eliminate duplicates Z: 12 5.647 1.660 0.720 0.246 0.727 0.455 CB 1.099 12 residues pruned to eliminate duplicates Z: 12 11.482 1.602 0.975 0.859 0.909 0.636 CB 0.885 12 residues pruned to eliminate duplicates Z: 10 6.554 1.593 0.836 0.486 0.667 0.667 CA 1.136 Z: 16 21.813 1.847 0.534 0.891 1.000 0.733 CA 1.429 19 residues pruned to eliminate duplicates Z: 10 14.954 1.800 0.380 0.897 1.000 0.778 CA 1.436 10 residues pruned to eliminate duplicates Z: 6 2.478 1.390 0.432 0.482 0.800 0.400 N 0.709 Z: 12 14.099 1.959 0.424 0.869 1.000 0.818 CA 1.113 12 residues pruned to eliminate duplicates Z: 10 3.742 1.550 0.511 0.314 0.667 0.444 CB 0.981 9 residues pruned to eliminate duplicates Z: 7 3.166 1.694 -0.261 0.876 0.833 0.667 CB 0.901 7 residues pruned to eliminate duplicates Z: 22 9.603 1.748 0.413 0.357 0.762 0.476 CB 1.299 22 residues pruned to eliminate duplicates Z: 23 18.385 1.759 0.605 0.679 1.000 0.818 CB 1.178 23 residues pruned to eliminate duplicates Z: 10 20.837 2.042 0.909 0.837 1.000 0.222 CB 1.333 10 residues pruned to eliminate duplicates Z: 7 3.240 1.467 1.020 0.245 0.667 0.333 O 0.899 Z: 6 2.508 1.496 0.134 0.533 0.800 0.600 CB 0.800 6 residues pruned to eliminate duplicates Z: 10 5.154 1.551 0.585 0.461 0.778 0.444 CB 0.935 Z: 18 30.003 1.985 0.908 0.839 1.000 0.882 CB 1.434 18 residues pruned to eliminate duplicates Z: 22 21.143 1.998 0.991 0.570 0.905 0.476 CB 1.198 22 residues pruned to eliminate duplicates Z: 13 35.335 2.106 1.310 0.943 1.000 0.667 CA 1.453 13 residues pruned to eliminate duplicates Z: 11 22.999 1.894 0.826 0.920 1.000 0.900 CA 1.480 11 residues pruned to eliminate duplicates Z: 19 27.418 1.918 0.838 0.840 1.000 0.889 CB 1.368 19 residues pruned to eliminate duplicates Z: 9 6.423 1.789 0.680 0.839 0.750 0.375 CB 0.752 9 residues pruned to eliminate duplicates Z: 20 10.345 1.730 0.657 0.386 0.842 0.368 CB 1.109 20 residues pruned to eliminate duplicates Z: 7 2.889 1.534 0.210 0.489 0.833 0.667 N 0.771 Z: 6 7.202 1.889 0.467 0.797 1.000 0.600 CB 0.896 6 residues pruned to eliminate duplicates Z: 33 24.841 1.960 0.863 0.580 0.875 0.625 CB 1.273 33 residues pruned to eliminate duplicates Z: 13 19.206 1.893 0.854 0.857 1.000 0.750 CA 1.164 13 residues pruned to eliminate duplicates Z: 22 15.981 1.697 0.614 0.576 0.857 0.429 CB 1.380 22 residues pruned to eliminate duplicates Z: 8 7.645 1.736 0.551 0.721 0.714 0.429 CB 1.231 8 residues pruned to eliminate duplicates Z: 34 20.409 1.759 0.879 0.434 0.879 0.455 CB 1.309 34 residues pruned to eliminate duplicates Z: 25 14.618 1.693 0.562 0.558 0.875 0.542 CB 1.219 25 residues pruned to eliminate duplicates Z: 13 18.338 1.833 1.014 0.878 0.917 0.750 CA 1.135 13 residues pruned to eliminate duplicates Z: 14 21.753 2.008 0.836 0.901 1.000 0.615 CA 1.169 14 residues pruned to eliminate duplicates Z: 24 11.942 1.871 0.778 0.343 0.696 0.522 CB 1.276 24 residues pruned to eliminate duplicates Z: 10 14.427 1.935 0.656 0.851 1.000 0.889 CB 1.111 10 residues pruned to eliminate duplicates Z: 17 33.253 2.036 1.178 0.886 1.000 0.750 CB 1.353 24 residues pruned to eliminate duplicates Z: 13 16.594 1.893 0.520 0.915 0.917 0.750 CB 1.283 13 residues pruned to eliminate duplicates Z: 17 17.492 1.731 0.611 0.883 1.000 0.812 CB 1.133 17 residues pruned to eliminate duplicates Z: 8 10.403 1.687 0.718 0.873 0.857 0.714 CB 1.153 8 residues pruned to eliminate duplicates Z: 19 28.308 1.945 0.891 0.876 0.944 0.611 CB 1.396 19 residues pruned to eliminate duplicates Z: 10 3.606 1.564 0.305 0.229 0.778 0.444 N 1.038 10 residues pruned to eliminate duplicates Z: 84 57.208 2.024 0.948 0.658 0.928 0.614 CB 1.482 84 residues pruned to eliminate duplicates Z: 13 14.121 1.787 1.080 0.619 0.667 0.500 N 1.470 13 residues pruned to eliminate duplicates Z: 16 23.975 1.824 0.862 0.884 0.933 0.467 CA 1.412 17 residues pruned to eliminate duplicates Z: 8 11.671 1.871 1.003 0.869 0.857 0.571 CB 1.003 8 residues pruned to eliminate duplicates Z: 7 4.045 1.637 0.115 0.581 1.000 0.500 CB 0.837 Z: 7 8.017 1.823 0.599 0.851 0.667 0.667 CB 1.247 7 residues pruned to eliminate duplicates Z: 7 4.304 1.411 0.189 0.398 1.000 0.500 CA 1.166 Z: 23 16.521 1.771 0.930 0.643 0.864 0.409 CB 1.044 23 residues pruned to eliminate duplicates Z: 12 10.187 1.525 0.941 0.846 1.000 0.909 CA 0.771 12 residues pruned to eliminate duplicates Z: 12 21.329 1.884 0.687 0.900 1.000 0.909 CB 1.444 12 residues pruned to eliminate duplicates Z: 11 22.352 1.895 0.684 0.923 1.000 0.700 N 1.557 11 residues pruned to eliminate duplicates Z: 10 3.574 1.653 0.776 0.257 0.667 0.444 CB 0.804 Z: 17 14.500 1.798 0.493 0.867 0.750 0.438 CB 1.317 17 residues pruned to eliminate duplicates Z: 51 41.963 2.004 0.908 0.675 0.920 0.680 CB 1.436 51 residues pruned to eliminate duplicates Z: 7 6.065 1.704 0.204 0.566 0.833 0.667 CB 1.359 7 residues pruned to eliminate duplicates Z: 29 18.405 1.917 0.635 0.466 0.821 0.571 CB 1.399 29 residues pruned to eliminate duplicates Z: 20 29.097 1.956 0.720 0.877 0.947 0.684 CB 1.521 20 residues pruned to eliminate duplicates Z: 7 3.141 1.520 0.439 0.369 0.833 0.500 N 0.810 Z: 13 15.590 1.608 0.792 0.861 1.000 0.417 CA 1.147 13 residues pruned to eliminate duplicates Z: 10 12.918 1.786 0.625 0.619 1.000 0.889 CB 1.326 10 residues pruned to eliminate duplicates Z: 7 7.810 1.622 0.674 0.714 0.833 0.500 CB 1.160 7 residues pruned to eliminate duplicates Z: 16 10.875 1.905 0.824 0.399 0.867 0.333 CB 1.037 16 residues pruned to eliminate duplicates Z: 27 17.203 1.732 0.586 0.684 0.962 0.731 CB 1.079 23 residues pruned to eliminate duplicates Z: 20 19.752 1.940 0.471 0.848 0.895 0.579 CA 1.317 20 residues pruned to eliminate duplicates Z: 10 12.113 1.561 0.486 0.888 1.000 0.778 CB 1.255 10 residues pruned to eliminate duplicates Z: 71 54.029 2.030 1.059 0.714 0.914 0.557 CB 1.392 71 residues pruned to eliminate duplicates Z: 10 22.140 1.845 0.851 0.912 1.000 0.444 CA 1.531 16 residues pruned to eliminate duplicates Z: 11 23.938 1.867 1.057 0.912 1.000 0.500 CB 1.396 11 residues pruned to eliminate duplicates Z: 15 31.206 2.063 0.998 0.931 0.929 0.714 CA 1.523 15 residues pruned to eliminate duplicates Z: 27 26.979 2.040 0.911 0.660 0.885 0.692 CB 1.322 27 residues pruned to eliminate duplicates Z: 15 13.689 1.609 0.834 0.802 0.929 0.571 CB 1.025 15 residues pruned to eliminate duplicates Z: 19 25.341 1.908 1.210 0.721 0.889 0.389 CB 1.306 19 residues pruned to eliminate duplicates Z: 11 17.413 1.842 0.520 0.896 1.000 0.800 CA 1.408 11 residues pruned to eliminate duplicates Z: 7 6.346 1.824 0.556 0.558 0.833 0.500 CB 1.036 7 residues pruned to eliminate duplicates Z: 12 7.578 1.556 0.411 0.850 0.909 0.818 CA 0.848 12 residues pruned to eliminate duplicates Z: 49 34.449 2.033 0.923 0.479 0.917 0.583 CB 1.417 52 residues pruned to eliminate duplicates Z: 11 13.470 1.912 1.042 0.896 0.900 0.800 CB 0.868 11 residues pruned to eliminate duplicates Z: 16 18.183 1.701 0.744 0.918 0.933 0.533 CB 1.196 16 residues pruned to eliminate duplicates Z: 15 11.326 1.848 0.880 0.327 0.857 0.643 CB 1.228 13 residues pruned to eliminate duplicates Z: 6 9.735 1.804 0.761 0.812 1.000 0.800 CB 1.045 6 residues pruned to eliminate duplicates Z: 8 8.073 1.430 0.827 0.536 1.000 0.286 CA 1.127 8 residues pruned to eliminate duplicates Z: 15 7.048 1.540 0.691 0.378 0.714 0.214 N 1.154 13 residues pruned to eliminate duplicates Z: 14 22.687 1.891 0.671 0.836 1.000 0.769 CB 1.491 14 residues pruned to eliminate duplicates Z: 14 21.302 1.909 0.795 0.799 1.000 0.923 CB 1.328 14 residues pruned to eliminate duplicates Z: 7 8.306 1.646 0.854 0.854 0.833 0.833 CB 0.985 7 residues pruned to eliminate duplicates Z: 12 15.775 1.864 0.725 0.898 1.000 0.818 CB 1.059 12 residues pruned to eliminate duplicates Z: 26 13.666 1.724 0.611 0.399 0.840 0.440 CB 1.302 23 residues pruned to eliminate duplicates Z: 15 17.879 1.970 0.669 0.594 0.929 0.786 CA 1.430 15 residues pruned to eliminate duplicates Z: 19 22.054 1.886 0.769 0.847 1.000 0.667 CB 1.157 19 residues pruned to eliminate duplicates Z: 12 4.318 1.353 1.024 0.288 0.818 0.273 CA 0.737 Z: 12 13.501 1.881 0.730 0.881 0.909 0.909 CB 0.996 12 residues pruned to eliminate duplicates Z: 7 5.035 1.738 0.881 0.443 0.667 0.500 N 1.000 6 residues pruned to eliminate duplicates Z: 16 23.893 1.933 1.079 0.757 0.933 0.667 CB 1.309 16 residues pruned to eliminate duplicates Z: 10 14.133 1.903 0.260 0.909 1.000 0.556 CB 1.394 10 residues pruned to eliminate duplicates Z: 13 19.999 1.843 1.101 0.813 0.917 0.583 CB 1.239 13 residues pruned to eliminate duplicates 6 1.933 1.374 -0.242 0.699 0.800 0.800 N 0.865 ? Z: 8 6.619 1.514 0.699 0.597 0.857 0.714 N 1.034 Z: 39 23.332 1.967 0.749 0.485 0.842 0.553 CB 1.328 39 residues pruned to eliminate duplicates Z: 17 29.561 2.022 1.205 0.887 0.875 0.688 CB 1.366 17 residues pruned to eliminate duplicates Z: 11 4.262 1.573 0.146 0.286 0.900 0.600 CB 1.057 Z: 9 6.404 1.784 0.533 0.814 0.875 0.500 CB 0.720 7 residues pruned to eliminate duplicates Z: 8 2.990 1.436 0.416 0.569 0.714 0.571 CB 0.728 Z: 13 17.808 1.832 0.714 0.897 0.917 0.667 CB 1.278 13 residues pruned to eliminate duplicates 7 1.770 1.334 0.296 0.236 0.833 0.500 CA 0.682 ? Z: 56 35.979 1.946 0.859 0.686 0.891 0.691 CB 1.270 56 residues pruned to eliminate duplicates Z: 13 17.145 2.029 0.375 0.812 1.000 0.750 CB 1.352 13 residues pruned to eliminate duplicates Z: 6 5.412 1.802 0.582 0.356 0.800 0.400 CA 1.241 Z: 18 20.009 1.892 1.133 0.621 0.824 0.588 CA 1.302 18 residues pruned to eliminate duplicates Z: 16 13.933 1.802 0.682 0.667 0.867 0.600 CB 1.174 16 residues pruned to eliminate duplicates Z: 15 15.770 1.991 0.874 0.486 0.786 0.571 CB 1.458 15 residues pruned to eliminate duplicates 6 1.806 1.597 0.231 0.496 0.800 0.600 CB 0.515 ? Z: 17 28.091 2.018 0.659 0.888 1.000 0.750 CB 1.511 17 residues pruned to eliminate duplicates Z: 10 10.392 1.576 0.748 0.917 1.000 0.889 CB 0.888 10 residues pruned to eliminate duplicates Z: 15 17.839 2.027 0.849 0.505 0.786 0.500 CB 1.611 15 residues pruned to eliminate duplicates Z: 15 16.483 1.689 0.762 0.881 0.929 0.643 CB 1.155 15 residues pruned to eliminate duplicates Z: 23 19.173 1.817 0.901 0.476 0.818 0.500 CA 1.483 23 residues pruned to eliminate duplicates Z: 7 4.131 1.544 1.093 0.533 0.667 0.500 CB 0.758 5 residues pruned to eliminate duplicates Z: 22 28.087 1.964 0.925 0.892 0.952 0.810 CA 1.222 22 residues pruned to eliminate duplicates Z: 6 5.313 1.676 0.609 0.456 0.800 0.600 CA 1.152 5 residues pruned to eliminate duplicates Z: 47 46.677 2.072 0.991 0.712 0.870 0.587 CB 1.583 47 residues pruned to eliminate duplicates Z: 9 8.662 1.546 0.693 0.788 1.000 0.500 CB 0.908 9 residues pruned to eliminate duplicates Z: 10 4.334 1.642 0.365 0.343 0.667 0.333 CB 1.147 Z: 17 18.765 1.760 1.023 0.858 0.875 0.375 CA 1.109 17 residues pruned to eliminate duplicates Z: 30 36.792 2.097 0.781 0.726 0.897 0.862 CA 1.664 30 residues pruned to eliminate duplicates Z: 10 15.838 1.874 0.697 0.893 0.889 0.333 CB 1.341 10 residues pruned to eliminate duplicates Z: 8 5.825 1.648 0.004 0.808 1.000 0.714 CB 1.017 8 residues pruned to eliminate duplicates Z: 15 13.221 1.769 0.701 0.551 1.000 0.714 CA 1.118 18 residues pruned to eliminate duplicates Z: 10 14.608 1.803 0.559 0.910 1.000 0.778 CB 1.228 11 residues pruned to eliminate duplicates Z: 10 14.294 1.976 0.750 0.675 0.889 0.778 CA 1.319 10 residues pruned to eliminate duplicates Z: 15 23.768 1.997 1.051 0.901 0.929 0.214 CB 1.192 15 residues pruned to eliminate duplicates Z: 7 11.312 1.740 0.474 0.834 1.000 0.667 CB 1.350 7 residues pruned to eliminate duplicates Z: 15 16.846 1.902 0.613 0.746 0.929 0.857 CB 1.268 15 residues pruned to eliminate duplicates Z: 20 15.106 1.597 1.003 0.524 0.895 0.474 CB 1.182 21 residues pruned to eliminate duplicates Z: 7 12.594 1.958 0.361 0.891 1.000 1.000 CB 1.387 7 residues pruned to eliminate duplicates Z: 11 29.647 2.131 1.522 0.913 1.000 0.600 CB 1.234 11 residues pruned to eliminate duplicates Z: 14 15.999 1.836 0.827 0.776 0.846 0.538 CB 1.225 14 residues pruned to eliminate duplicates Z: 8 2.905 1.757 -0.206 0.378 0.857 0.429 CB 1.046 7 residues pruned to eliminate duplicates Z: 8 3.077 1.439 0.472 0.230 0.857 0.571 CB 0.878 Z: 9 11.449 1.603 0.560 0.857 0.875 0.500 CB 1.362 8 residues pruned to eliminate duplicates Z: 8 9.329 1.783 0.146 0.884 1.000 0.571 CB 1.246 8 residues pruned to eliminate duplicates Z: 9 10.653 1.675 0.305 0.717 1.000 0.875 CB 1.416 Z: 12 14.571 1.733 1.023 0.893 1.000 0.818 CB 0.900 12 residues pruned to eliminate duplicates Z: 23 8.656 1.588 0.540 0.448 0.682 0.227 CB 1.168 23 residues pruned to eliminate duplicates Z: 7 9.000 1.703 0.409 0.626 1.000 0.500 CB 1.360 7 residues pruned to eliminate duplicates Z: 7 9.887 1.609 0.749 0.746 1.000 0.667 O 1.151 7 residues pruned to eliminate duplicates Z: 11 18.602 1.741 1.169 0.915 1.000 0.700 CB 1.101 11 residues pruned to eliminate duplicates Z: 8 11.412 1.827 0.892 0.821 0.714 0.714 CA 1.322 8 residues pruned to eliminate duplicates Z: 15 15.488 2.117 0.944 0.433 0.786 0.500 CB 1.372 15 residues pruned to eliminate duplicates Z: 9 6.539 1.649 0.774 0.468 0.625 0.500 CB 1.307 9 residues pruned to eliminate duplicates Z: 18 15.088 1.837 0.839 0.457 0.882 0.529 CA 1.283 18 residues pruned to eliminate duplicates Z: 12 29.326 1.945 0.943 0.906 1.000 0.909 CA 1.664 12 residues pruned to eliminate duplicates Z: 13 4.895 1.589 0.393 0.309 1.000 0.417 CB 0.790 9 residues pruned to eliminate duplicates Z: 12 9.085 1.623 0.254 0.816 0.909 0.727 CB 1.125 12 residues pruned to eliminate duplicates Z: 16 18.643 1.935 0.614 0.810 0.933 0.800 CB 1.261 16 residues pruned to eliminate duplicates Z: 23 15.386 1.828 0.742 0.522 0.818 0.500 CB 1.232 23 residues pruned to eliminate duplicates Z: 11 17.225 1.941 0.769 0.848 1.000 0.700 CB 1.177 11 residues pruned to eliminate duplicates Z: 8 5.696 1.475 0.255 0.624 1.000 0.857 C 1.034 Z: 6 3.342 1.801 0.174 0.723 1.000 0.200 CB 0.578 6 residues pruned to eliminate duplicates Z: 10 6.112 1.709 0.256 0.582 1.000 0.667 CB 0.877 10 residues pruned to eliminate duplicates Z: 7 6.983 1.752 0.612 0.661 0.833 0.667 CB 1.043 7 residues pruned to eliminate duplicates Z: 12 20.562 1.922 0.708 0.850 1.000 0.545 CB 1.399 12 residues pruned to eliminate duplicates Z: 11 8.221 1.876 0.365 0.419 0.900 0.800 CB 1.228 11 residues pruned to eliminate duplicates Z: 16 17.160 1.705 0.962 0.845 0.933 0.533 CB 1.055 16 residues pruned to eliminate duplicates Z: 8 3.586 1.395 0.264 0.451 0.714 0.429 CA 1.131 Z: 11 10.985 1.528 0.683 0.871 1.000 0.700 CA 0.985 11 residues pruned to eliminate duplicates Z: 110 77.264 2.093 1.078 0.706 0.927 0.615 CB 1.523 110 residues pruned to eliminate duplicates Z: 10 3.036 1.223 0.603 0.306 0.778 0.444 CA 0.823 Z: 10 9.603 1.563 0.366 0.874 1.000 0.778 CB 1.091 10 residues pruned to eliminate duplicates Z: 25 33.246 2.050 0.975 0.751 0.958 0.667 CA 1.399 25 residues pruned to eliminate duplicates Z: 72 46.753 2.035 0.819 0.707 0.901 0.718 CA 1.377 79 residues pruned to eliminate duplicates Z: 9 8.636 1.669 0.471 0.852 0.875 0.500 CB 1.051 8 residues pruned to eliminate duplicates Z: 8 5.495 1.820 0.012 0.426 1.000 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 9 3.809 1.564 0.434 0.432 0.875 0.375 CB 0.737 Z: 11 3.166 1.305 0.155 0.342 0.800 0.500 CB 0.986 Z: 7 2.761 1.366 0.349 0.259 0.833 0.333 CB 0.967 Z: 15 17.474 2.139 0.907 0.454 0.857 0.500 CB 1.400 15 residues pruned to eliminate duplicates Z: 7 7.378 1.616 0.482 0.644 1.000 0.500 CA 1.099 7 residues pruned to eliminate duplicates Z: 17 20.968 1.836 0.788 0.690 0.938 0.500 CB 1.431 16 residues pruned to eliminate duplicates Z: 12 17.358 1.934 0.990 0.876 0.909 0.545 CB 1.087 12 residues pruned to eliminate duplicates Z: 8 3.242 1.363 0.790 0.303 0.714 0.429 CB 0.876 Z: 10 16.592 2.091 0.656 0.844 0.889 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 20 16.961 1.699 0.951 0.646 0.947 0.526 CB 1.081 20 residues pruned to eliminate duplicates Z: 8 2.962 1.546 -0.050 0.457 0.714 0.571 CB 1.115 Z: 9 7.101 1.351 0.481 0.777 1.000 0.625 CB 0.982 Z: 28 13.970 1.653 0.578 0.589 0.815 0.333 CB 1.161 28 residues pruned to eliminate duplicates Z: 6 5.258 1.864 -0.025 0.580 1.000 0.600 CB 1.198 Z: 11 16.462 1.829 0.986 0.776 0.800 0.300 CB 1.403 11 residues pruned to eliminate duplicates Z: 9 3.745 1.520 0.563 0.413 0.750 0.625 CB 0.814 Z: 36 28.546 2.055 0.956 0.513 0.857 0.514 CB 1.382 36 residues pruned to eliminate duplicates Z: 27 26.241 1.964 1.079 0.592 0.846 0.500 CB 1.364 27 residues pruned to eliminate duplicates Z: 12 19.230 1.803 1.024 0.871 1.000 0.818 CB 1.159 12 residues pruned to eliminate duplicates Z: 10 14.753 1.682 1.001 0.796 1.000 0.778 CB 1.127 10 residues pruned to eliminate duplicates 6 1.314 1.694 0.175 0.236 0.800 0.600 CB 0.501 ? Z: 11 3.882 1.388 0.380 0.364 0.700 0.500 O 1.060 11 residues pruned to eliminate duplicates Z: 11 20.128 2.012 1.129 0.886 0.900 0.700 CB 1.192 11 residues pruned to eliminate duplicates Z: 13 9.765 1.687 0.693 0.466 0.833 0.583 CA 1.226 13 residues pruned to eliminate duplicates Z: 13 8.977 1.647 0.517 0.491 0.833 0.417 CB 1.256 13 residues pruned to eliminate duplicates Z: 66 46.075 1.994 0.749 0.731 0.938 0.738 CA 1.418 66 residues pruned to eliminate duplicates Z: 16 11.762 1.715 0.540 0.533 0.867 0.467 CB 1.285 16 residues pruned to eliminate duplicates Z: 9 5.642 1.367 0.687 0.522 0.875 0.625 CA 0.968 Z: 40 16.422 1.784 0.500 0.505 0.821 0.462 CB 1.192 40 residues pruned to eliminate duplicates Z: 50 29.304 1.928 0.752 0.458 0.898 0.571 CB 1.441 50 residues pruned to eliminate duplicates Z: 13 5.055 1.615 0.686 0.403 0.833 0.667 CB 0.712 15 residues pruned to eliminate duplicates Z: 32 23.624 1.992 0.839 0.418 0.903 0.452 CA 1.397 34 residues pruned to eliminate duplicates Z: 9 4.377 1.603 0.681 0.388 0.750 0.375 CB 0.862 Z: 7 4.219 1.422 0.612 0.512 0.833 0.667 CB 0.890 Z: 8 2.412 1.424 0.629 0.307 0.714 0.286 N 0.682 Z: 11 25.221 1.949 0.989 0.898 1.000 0.900 CA 1.471 11 residues pruned to eliminate duplicates Z: 9 6.975 1.734 1.051 0.404 0.750 0.625 CB 1.022 Z: 7 5.123 1.542 0.487 0.621 0.667 0.667 CB 1.221 Z: 9 12.043 1.719 0.521 0.880 1.000 0.750 CB 1.181 9 residues pruned to eliminate duplicates Z: 13 8.537 1.650 0.871 0.365 0.750 0.333 CB 1.230 13 residues pruned to eliminate duplicates Z: 13 24.531 1.948 0.934 0.866 0.917 0.417 CB 1.501 13 residues pruned to eliminate duplicates Z: 13 10.470 1.679 0.680 0.676 0.750 0.083 CB 1.216 13 residues pruned to eliminate duplicates Z: 8 10.154 1.860 0.614 0.466 1.000 0.571 CB 1.324 7 1.703 1.631 0.164 0.375 0.833 0.333 CB 0.502 ? Z: 17 20.984 2.027 0.880 0.465 0.938 0.625 CA 1.522 17 residues pruned to eliminate duplicates Z: 13 9.733 1.771 0.493 0.646 0.833 0.167 CB 1.113 13 residues pruned to eliminate duplicates Z: 17 22.556 1.893 0.787 0.757 0.875 0.500 CB 1.515 17 residues pruned to eliminate duplicates Z: 40 30.588 1.986 0.902 0.650 0.897 0.487 CB 1.256 40 residues pruned to eliminate duplicates 735 residues left after pruning, divided into chains as follows: A: 7 B: 12 C: 6 D: 121 E: 8 F: 21 G: 11 H: 84 I: 28 J: 20 K: 9 L: 128 M: 190 N: 17 O: 9 P: 13 Q: 28 R: 23 CC for partial structure against native data = 39.07 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.560, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.649, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.789, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.808, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.825, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.830, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.836, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.837, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.838, Connect. = 0.789 for dens.mod. cycle 9 = 0.300, Contrast = 0.838, Connect. = 0.789 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4124 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 957 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 36.965 2.307 0.946 0.917 0.938 0.875 CB 1.549 B: 15 33.344 2.276 1.035 0.912 1.000 0.857 CB 1.363 C: 16 27.518 2.109 0.668 0.758 1.000 0.800 CA 1.606 D: 14 28.246 2.200 0.704 0.840 1.000 0.769 CA 1.559 E: 13 26.086 2.297 0.552 0.918 1.000 0.917 CB 1.489 F: 16 26.973 2.147 0.969 0.719 0.867 0.600 CB 1.560 16 residues pruned to eliminate duplicates G: 18 35.478 2.295 0.889 0.839 0.941 0.824 CA 1.575 18 residues pruned to eliminate duplicates H: 13 31.394 2.289 0.868 0.928 1.000 0.667 CA 1.485 13 residues pruned to eliminate duplicates I: 33 30.198 2.233 1.063 0.528 0.719 0.438 CA 1.569 J: 17 31.549 2.229 0.990 0.888 0.875 0.688 CA 1.465 K: 18 38.812 2.275 0.774 0.900 1.000 0.941 CB 1.665 17 residues pruned to eliminate duplicates L: 15 21.582 2.134 0.459 0.884 0.929 0.857 CA 1.442 15 residues pruned to eliminate duplicates M: 14 30.125 2.249 0.766 0.918 1.000 0.846 CA 1.483 14 residues pruned to eliminate duplicates N: 14 34.446 2.116 1.093 0.895 0.923 0.692 CA 1.675 O: 13 34.872 2.429 1.153 0.869 0.917 0.500 CB 1.534 14 residues pruned to eliminate duplicates P: 14 23.782 2.242 0.592 0.795 0.923 0.615 CB 1.545 Q: 137 78.256 2.235 0.866 0.639 0.890 0.551 CB 1.588 46 residues pruned to eliminate duplicates R: 24 29.207 2.344 0.615 0.578 1.000 0.565 CA 1.493 13 residues pruned to eliminate duplicates S: 13 28.583 2.267 0.876 0.740 0.917 0.750 CB 1.707 T: 14 32.448 2.270 0.826 0.926 1.000 0.846 CA 1.522 14 residues pruned to eliminate duplicates U: 17 23.108 2.054 0.645 0.725 0.938 0.812 CA 1.489 17 residues pruned to eliminate duplicates V: 13 37.274 2.201 0.967 0.919 1.000 0.750 CA 1.751 13 residues pruned to eliminate duplicates W: 12 25.723 2.116 0.607 0.911 1.000 0.545 CB 1.617 12 residues pruned to eliminate duplicates X: 131 87.380 2.274 0.947 0.660 0.915 0.669 CB 1.631 137 residues pruned to eliminate duplicates Y: 11 27.933 2.408 0.776 0.887 0.900 0.800 CA 1.655 Z: 11 31.108 2.503 0.863 0.876 0.900 0.600 CA 1.703 11 residues pruned to eliminate duplicates Z: 14 32.388 2.244 0.823 0.900 1.000 0.846 CA 1.568 14 residues pruned to eliminate duplicates Z: 12 26.937 2.162 0.832 0.922 1.000 0.727 CB 1.442 12 residues pruned to eliminate duplicates Z: 14 25.771 2.286 0.503 0.926 1.000 0.846 CA 1.458 14 residues pruned to eliminate duplicates Z: 131 88.067 2.257 1.027 0.654 0.923 0.562 CB 1.585 131 residues pruned to eliminate duplicates Z: 20 26.515 2.126 0.955 0.819 0.842 0.579 CA 1.317 Z: 13 28.941 2.354 0.984 0.794 0.917 0.500 CA 1.508 13 residues pruned to eliminate duplicates Z: 12 29.192 2.418 0.718 0.817 1.000 0.636 CA 1.608 12 residues pruned to eliminate duplicates Z: 14 27.177 2.012 0.909 0.901 1.000 0.769 CA 1.401 14 residues pruned to eliminate duplicates Z: 13 31.830 2.169 0.763 0.906 1.000 0.917 CA 1.709 13 residues pruned to eliminate duplicates Z: 15 34.040 2.236 0.976 0.802 0.929 0.714 CA 1.703 16 residues pruned to eliminate duplicates Z: 14 27.250 2.270 1.036 0.771 0.846 0.308 CB 1.520 14 residues pruned to eliminate duplicates Z: 15 32.512 2.222 1.083 0.814 0.929 0.500 CB 1.539 15 residues pruned to eliminate duplicates Z: 13 23.206 2.298 0.568 0.919 1.000 0.917 CA 1.311 13 residues pruned to eliminate duplicates Z: 14 20.817 2.311 0.470 0.786 0.923 0.846 CA 1.432 14 residues pruned to eliminate duplicates Z: 9 16.207 1.879 0.371 0.906 1.000 0.625 CB 1.581 Z: 41 36.558 2.213 0.678 0.641 0.975 0.700 CB 1.400 Z: 9 19.980 2.264 1.133 0.863 0.875 0.750 CB 1.226 9 residues pruned to eliminate duplicates Z: 15 21.629 2.102 0.390 0.921 1.000 0.929 CA 1.393 15 residues pruned to eliminate duplicates Z: 19 43.987 2.279 1.146 0.875 0.944 0.667 CB 1.632 19 residues pruned to eliminate duplicates Z: 13 37.701 2.190 1.034 0.893 1.000 0.750 CA 1.754 13 residues pruned to eliminate duplicates Z: 22 36.248 2.194 0.948 0.838 0.952 0.714 CA 1.453 17 residues pruned to eliminate duplicates Z: 13 36.113 2.349 0.996 0.850 1.000 0.833 CA 1.648 13 residues pruned to eliminate duplicates Z: 11 27.150 2.426 0.628 0.870 0.900 0.800 CA 1.762 11 residues pruned to eliminate duplicates Z: 16 24.514 1.997 0.726 0.791 1.000 0.733 CA 1.423 16 residues pruned to eliminate duplicates Z: 20 18.826 2.237 0.773 0.472 0.737 0.421 CB 1.521 Z: 52 40.727 2.264 0.743 0.497 0.961 0.608 CA 1.509 23 residues pruned to eliminate duplicates Z: 16 41.836 2.344 1.241 0.909 1.000 0.533 CB 1.460 16 residues pruned to eliminate duplicates Z: 22 35.811 2.218 0.749 0.835 0.905 0.667 CA 1.668 20 residues pruned to eliminate duplicates Z: 12 24.744 1.944 1.002 0.908 1.000 0.636 CA 1.362 Z: 6 11.953 1.896 0.414 0.765 1.000 0.800 CA 1.576 6 residues pruned to eliminate duplicates Z: 106 85.129 2.300 0.983 0.655 0.914 0.552 CB 1.726 65 residues pruned to eliminate duplicates Z: 80 59.686 2.287 0.889 0.632 0.835 0.494 CB 1.644 80 residues pruned to eliminate duplicates Z: 14 20.857 2.118 0.838 0.826 0.846 0.692 CB 1.324 14 residues pruned to eliminate duplicates Z: 11 25.482 2.346 0.579 0.875 1.000 0.700 CB 1.581 11 residues pruned to eliminate duplicates Z: 14 27.935 2.288 0.886 0.774 0.923 0.846 CA 1.527 14 residues pruned to eliminate duplicates Z: 18 32.494 2.064 0.882 0.905 1.000 0.529 CB 1.444 18 residues pruned to eliminate duplicates Z: 15 24.968 2.039 0.556 0.817 1.000 0.786 CB 1.598 15 residues pruned to eliminate duplicates Z: 11 21.762 2.228 0.859 0.914 0.900 0.700 CB 1.305 11 residues pruned to eliminate duplicates Z: 14 31.889 2.031 1.151 0.868 1.000 0.769 CA 1.480 14 residues pruned to eliminate duplicates Z: 21 37.518 2.248 0.857 0.862 0.900 0.650 CA 1.639 21 residues pruned to eliminate duplicates Z: 14 27.164 2.209 0.790 0.886 1.000 0.846 CA 1.375 14 residues pruned to eliminate duplicates Z: 14 29.139 2.152 0.929 0.901 1.000 0.615 CA 1.389 14 residues pruned to eliminate duplicates Z: 13 33.995 2.203 0.837 0.935 1.000 1.000 CA 1.690 13 residues pruned to eliminate duplicates Z: 11 25.200 2.411 0.441 0.912 1.000 1.000 CA 1.625 11 residues pruned to eliminate duplicates Z: 13 28.623 2.347 1.019 0.807 0.917 0.750 CA 1.455 13 residues pruned to eliminate duplicates Z: 15 19.848 1.811 0.783 0.778 1.000 0.643 CA 1.285 Z: 13 39.734 2.180 1.162 0.894 1.000 0.833 CA 1.746 13 residues pruned to eliminate duplicates Z: 11 30.788 2.132 1.120 0.879 1.000 0.600 CA 1.562 Z: 13 17.503 1.936 0.366 0.870 1.000 0.750 CB 1.395 Z: 12 21.996 2.385 0.364 0.884 1.000 0.909 CA 1.474 12 residues pruned to eliminate duplicates Z: 13 30.886 2.197 0.987 0.881 0.917 0.583 CA 1.614 11 residues pruned to eliminate duplicates Z: 12 36.368 2.347 0.992 0.903 1.000 0.727 CA 1.672 13 residues pruned to eliminate duplicates Z: 12 32.966 2.422 0.767 0.817 1.000 0.909 CB 1.763 12 residues pruned to eliminate duplicates Z: 21 33.840 2.201 0.795 0.879 0.900 0.600 CA 1.543 21 residues pruned to eliminate duplicates Z: 12 26.969 2.268 0.749 0.866 0.909 0.636 CB 1.651 12 residues pruned to eliminate duplicates Z: 10 3.695 1.799 0.578 0.203 0.444 0.333 CA 1.389 8 residues pruned to eliminate duplicates Z: 45 43.666 2.336 0.741 0.583 0.955 0.659 CA 1.566 12 residues pruned to eliminate duplicates Z: 14 27.063 2.247 0.657 0.926 1.000 0.846 CA 1.413 14 residues pruned to eliminate duplicates Z: 14 21.691 2.189 0.876 0.785 0.846 0.846 CA 1.348 16 residues pruned to eliminate duplicates Z: 14 29.041 2.216 0.893 0.872 0.923 0.769 CB 1.515 14 residues pruned to eliminate duplicates Z: 19 20.888 2.109 0.469 0.825 0.889 0.778 CA 1.349 19 residues pruned to eliminate duplicates Z: 21 30.594 2.217 0.734 0.820 0.950 0.750 CA 1.419 21 residues pruned to eliminate duplicates Z: 67 43.896 2.207 0.715 0.528 0.879 0.576 CB 1.580 46 residues pruned to eliminate duplicates Z: 21 38.296 2.102 1.081 0.879 0.900 0.400 CA 1.576 21 residues pruned to eliminate duplicates Z: 13 32.457 2.292 0.858 0.871 1.000 0.750 CA 1.605 13 residues pruned to eliminate duplicates Z: 12 30.508 2.103 1.035 0.874 1.000 0.727 CA 1.565 12 residues pruned to eliminate duplicates Z: 15 24.094 2.259 0.745 0.885 0.929 0.857 CB 1.271 15 residues pruned to eliminate duplicates Z: 20 30.899 2.244 0.674 0.872 0.895 0.526 CA 1.537 20 residues pruned to eliminate duplicates Z: 12 31.575 2.259 0.986 0.909 0.909 0.727 CA 1.657 12 residues pruned to eliminate duplicates Z: 11 12.296 1.823 0.351 0.821 0.900 0.600 CA 1.328 11 residues pruned to eliminate duplicates Z: 14 39.094 2.419 1.129 0.892 1.000 0.769 CB 1.513 14 residues pruned to eliminate duplicates Z: 23 30.737 2.098 0.900 0.820 0.864 0.727 CA 1.441 23 residues pruned to eliminate duplicates Z: 180 91.869 2.245 0.894 0.604 0.905 0.615 CB 1.616 186 residues pruned to eliminate duplicates Z: 23 31.787 2.044 0.813 0.901 0.955 0.773 CA 1.367 23 residues pruned to eliminate duplicates Z: 12 22.470 1.993 0.693 0.890 1.000 0.727 CB 1.444 14 residues pruned to eliminate duplicates Z: 19 32.277 2.137 0.828 0.819 0.944 0.722 CA 1.563 19 residues pruned to eliminate duplicates Z: 14 24.598 2.286 0.842 0.739 1.000 0.538 CA 1.307 14 residues pruned to eliminate duplicates Z: 12 30.459 2.303 0.820 0.910 0.909 0.545 CA 1.709 12 residues pruned to eliminate duplicates Z: 13 34.449 2.253 0.918 0.864 1.000 0.833 CA 1.688 13 residues pruned to eliminate duplicates Z: 15 26.276 1.952 0.845 0.889 1.000 0.643 CA 1.404 15 residues pruned to eliminate duplicates Z: 14 28.544 2.236 0.928 0.932 1.000 0.615 CB 1.283 14 residues pruned to eliminate duplicates Z: 14 31.562 2.230 0.710 0.854 1.000 0.846 CA 1.695 14 residues pruned to eliminate duplicates Z: 18 29.916 2.164 0.670 0.835 1.000 0.588 CA 1.503 18 residues pruned to eliminate duplicates Z: 12 23.154 1.979 1.056 0.886 0.909 0.818 CA 1.362 12 residues pruned to eliminate duplicates Z: 18 35.654 2.212 0.996 0.815 0.941 0.765 CA 1.583 18 residues pruned to eliminate duplicates Z: 14 16.878 2.166 0.314 0.807 0.923 0.846 CB 1.363 14 residues pruned to eliminate duplicates Z: 15 29.348 2.175 0.923 0.795 0.929 0.643 CB 1.560 15 residues pruned to eliminate duplicates Z: 11 30.788 2.367 0.927 0.898 1.000 1.000 CA 1.527 11 residues pruned to eliminate duplicates Z: 23 25.056 2.112 0.444 0.798 0.909 0.773 CA 1.485 23 residues pruned to eliminate duplicates Z: 15 15.704 1.755 0.661 0.748 0.929 0.786 CA 1.242 15 residues pruned to eliminate duplicates Z: 13 14.061 1.932 0.393 0.783 1.000 0.583 CB 1.176 13 residues pruned to eliminate duplicates Z: 22 29.383 2.089 0.722 0.852 0.905 0.476 CB 1.457 22 residues pruned to eliminate duplicates Z: 132 79.637 2.236 0.918 0.633 0.901 0.611 CB 1.590 132 residues pruned to eliminate duplicates Z: 13 42.213 2.411 1.046 0.906 1.000 0.667 CA 1.757 14 residues pruned to eliminate duplicates Z: 13 34.896 2.365 1.070 0.800 1.000 0.833 CA 1.583 13 residues pruned to eliminate duplicates Z: 41 34.431 2.142 0.681 0.527 0.950 0.550 CB 1.550 15 residues pruned to eliminate duplicates Z: 19 29.446 2.134 0.808 0.891 0.944 0.722 CB 1.369 19 residues pruned to eliminate duplicates Z: 17 35.326 2.251 0.977 0.850 0.875 0.625 CA 1.681 17 residues pruned to eliminate duplicates Z: 19 26.079 2.114 0.638 0.828 0.944 0.722 CA 1.414 19 residues pruned to eliminate duplicates Z: 23 25.641 2.200 1.182 0.408 0.818 0.545 CB 1.533 20 residues pruned to eliminate duplicates Z: 22 26.814 2.163 0.853 0.501 0.857 0.667 CA 1.702 22 residues pruned to eliminate duplicates Z: 104 69.972 2.254 0.883 0.642 0.893 0.524 CB 1.593 95 residues pruned to eliminate duplicates Z: 20 38.364 2.250 1.071 0.842 0.895 0.684 CA 1.572 20 residues pruned to eliminate duplicates Z: 9 7.399 1.797 0.888 0.521 0.750 0.375 CA 1.006 Z: 127 83.442 2.240 0.960 0.642 0.937 0.643 CB 1.584 123 residues pruned to eliminate duplicates Z: 13 28.786 2.157 1.070 0.832 0.917 0.417 CA 1.524 13 residues pruned to eliminate duplicates Z: 19 20.787 2.080 0.476 0.749 0.889 0.667 CA 1.438 19 residues pruned to eliminate duplicates Z: 20 37.361 2.194 1.017 0.876 0.895 0.526 CB 1.573 20 residues pruned to eliminate duplicates Z: 19 31.810 2.201 1.238 0.835 0.833 0.278 CB 1.368 19 residues pruned to eliminate duplicates Z: 13 27.794 2.142 0.792 0.843 1.000 0.833 CB 1.556 13 residues pruned to eliminate duplicates Z: 8 7.188 1.672 0.112 0.774 0.857 0.714 CB 1.338 8 residues pruned to eliminate duplicates Z: 12 29.231 2.498 0.913 0.800 0.909 0.455 CA 1.561 12 residues pruned to eliminate duplicates Z: 21 44.856 2.245 0.964 0.865 1.000 0.600 CA 1.667 21 residues pruned to eliminate duplicates Z: 13 25.558 2.328 0.686 0.835 0.917 0.833 CA 1.536 13 residues pruned to eliminate duplicates Z: 14 15.013 1.842 0.376 0.916 1.000 1.000 CA 1.160 14 residues pruned to eliminate duplicates Z: 13 40.965 2.320 1.414 0.857 0.917 0.667 CB 1.698 13 residues pruned to eliminate duplicates Z: 11 18.388 2.119 0.910 0.892 0.800 0.700 CB 1.290 11 residues pruned to eliminate duplicates Z: 12 25.309 2.159 0.748 0.917 1.000 0.455 CB 1.427 12 residues pruned to eliminate duplicates Z: 13 24.576 2.264 0.908 0.773 0.917 0.833 CA 1.408 14 residues pruned to eliminate duplicates Z: 20 31.405 2.189 0.580 0.857 0.947 0.632 CA 1.621 20 residues pruned to eliminate duplicates Z: 8 9.538 1.674 0.623 0.816 0.857 0.714 CA 1.176 8 residues pruned to eliminate duplicates Z: 19 24.784 2.113 0.513 0.801 0.944 0.833 CA 1.487 19 residues pruned to eliminate duplicates Z: 17 22.531 1.984 0.737 0.805 0.938 0.812 CB 1.336 Z: 15 26.232 2.075 0.698 0.771 1.000 0.643 CB 1.565 15 residues pruned to eliminate duplicates Z: 12 19.483 1.865 0.791 0.888 0.909 0.909 CA 1.394 12 residues pruned to eliminate duplicates Z: 19 35.546 2.117 1.138 0.860 0.944 0.556 CB 1.441 19 residues pruned to eliminate duplicates Z: 18 20.423 2.034 0.559 0.773 0.882 0.765 CA 1.391 18 residues pruned to eliminate duplicates Z: 8 5.867 1.823 0.420 0.559 0.714 0.571 CA 1.133 9 residues pruned to eliminate duplicates Z: 22 13.884 2.062 0.582 0.251 0.905 0.476 CB 1.368 22 residues pruned to eliminate duplicates Z: 17 31.022 2.263 0.602 0.930 1.000 0.938 CA 1.495 17 residues pruned to eliminate duplicates Z: 13 7.929 1.690 0.679 0.330 0.750 0.583 CB 1.297 Z: 12 21.147 2.308 0.356 0.861 0.909 0.727 CA 1.647 12 residues pruned to eliminate duplicates Z: 19 25.881 2.102 0.672 0.766 0.944 0.667 CA 1.452 19 residues pruned to eliminate duplicates Z: 7 11.232 1.793 0.786 0.720 1.000 1.000 CA 1.174 7 residues pruned to eliminate duplicates Z: 12 19.045 1.949 0.544 0.892 1.000 0.727 CA 1.371 12 residues pruned to eliminate duplicates Z: 97 69.176 2.263 0.882 0.695 0.906 0.667 CB 1.530 97 residues pruned to eliminate duplicates Z: 7 6.600 1.950 0.211 0.608 1.000 0.667 CA 1.030 7 residues pruned to eliminate duplicates Z: 11 23.245 2.060 0.989 0.847 0.900 0.600 CA 1.479 11 residues pruned to eliminate duplicates Z: 14 26.491 2.275 0.748 0.801 0.923 0.846 CA 1.539 13 residues pruned to eliminate duplicates Z: 14 24.898 2.209 0.617 0.827 1.000 0.846 CA 1.457 14 residues pruned to eliminate duplicates Z: 7 14.354 1.948 0.620 0.705 1.000 0.667 CA 1.541 7 residues pruned to eliminate duplicates Z: 13 18.473 1.974 0.727 0.821 1.000 0.500 CA 1.184 13 residues pruned to eliminate duplicates Z: 12 32.805 2.232 1.141 0.891 1.000 0.636 CB 1.488 12 residues pruned to eliminate duplicates Z: 12 23.014 1.883 0.894 0.852 0.909 0.727 CA 1.583 12 residues pruned to eliminate duplicates Z: 13 42.982 2.329 1.215 0.942 1.000 0.833 CA 1.669 13 residues pruned to eliminate duplicates Z: 13 18.619 1.811 0.841 0.917 0.917 0.667 CA 1.241 13 residues pruned to eliminate duplicates Z: 12 18.554 1.906 0.661 0.871 1.000 0.909 CA 1.289 12 residues pruned to eliminate duplicates Z: 13 41.678 2.249 1.215 0.917 1.000 0.750 CA 1.705 13 residues pruned to eliminate duplicates Z: 16 24.130 1.904 0.831 0.859 1.000 0.467 CB 1.315 Z: 15 21.285 1.962 0.462 0.922 1.000 0.929 CB 1.394 16 residues pruned to eliminate duplicates Z: 20 15.266 1.997 0.707 0.478 0.789 0.474 CB 1.330 Z: 11 23.223 2.023 0.804 0.861 1.000 0.700 CA 1.478 11 residues pruned to eliminate duplicates Z: 13 24.229 2.011 1.021 0.871 1.000 0.500 CB 1.256 13 residues pruned to eliminate duplicates Z: 19 27.125 2.121 0.611 0.849 1.000 0.722 CA 1.386 19 residues pruned to eliminate duplicates Z: 8 3.778 1.392 0.129 0.664 0.714 0.714 CB 1.093 8 residues pruned to eliminate duplicates Z: 20 31.738 2.238 0.785 0.864 0.895 0.789 CA 1.493 20 residues pruned to eliminate duplicates Z: 12 30.012 2.281 0.757 0.867 1.000 0.636 CA 1.652 12 residues pruned to eliminate duplicates Z: 11 19.861 2.126 0.785 0.885 0.800 0.800 CA 1.494 11 residues pruned to eliminate duplicates Z: 18 42.219 2.270 1.293 0.883 0.941 0.706 CB 1.512 26 residues pruned to eliminate duplicates Z: 19 32.688 2.141 0.878 0.839 0.944 0.611 CA 1.515 19 residues pruned to eliminate duplicates Z: 19 26.458 2.238 0.468 0.895 0.889 0.722 CA 1.530 19 residues pruned to eliminate duplicates Z: 15 32.751 2.137 0.987 0.855 1.000 0.786 CA 1.522 15 residues pruned to eliminate duplicates Z: 17 27.894 2.123 0.584 0.934 1.000 0.938 CB 1.445 17 residues pruned to eliminate duplicates Z: 20 38.367 2.280 1.013 0.869 0.895 0.632 CA 1.566 20 residues pruned to eliminate duplicates Z: 17 35.443 2.312 0.946 0.902 0.875 0.438 CA 1.605 17 residues pruned to eliminate duplicates Z: 8 2.992 1.518 0.182 0.214 0.857 0.286 CA 1.029 Z: 15 11.283 2.002 0.095 0.906 1.000 0.857 CA 0.979 15 residues pruned to eliminate duplicates Z: 100 70.897 2.227 0.847 0.680 0.919 0.677 CA 1.597 100 residues pruned to eliminate duplicates Z: 18 33.136 2.118 0.914 0.873 1.000 0.529 CB 1.443 18 residues pruned to eliminate duplicates Z: 19 23.590 2.111 0.510 0.855 0.944 0.611 CB 1.363 19 residues pruned to eliminate duplicates Z: 15 32.020 2.062 1.191 0.793 1.000 0.643 CB 1.465 15 residues pruned to eliminate duplicates Z: 160 91.790 2.258 0.993 0.604 0.906 0.616 CA 1.618 204 residues pruned to eliminate duplicates Z: 14 41.119 2.278 1.205 0.865 1.000 0.385 CB 1.663 14 residues pruned to eliminate duplicates Z: 20 31.415 2.164 0.602 0.851 1.000 0.579 CA 1.538 20 residues pruned to eliminate duplicates Z: 14 20.412 2.029 0.597 0.848 0.923 0.692 CA 1.404 14 residues pruned to eliminate duplicates Z: 93 56.892 2.168 0.885 0.598 0.880 0.478 CB 1.502 79 residues pruned to eliminate duplicates Z: 13 31.870 2.251 1.006 0.904 0.917 0.917 CA 1.582 13 residues pruned to eliminate duplicates Z: 34 32.684 2.180 1.006 0.538 0.818 0.606 CA 1.531 34 residues pruned to eliminate duplicates Z: 12 19.852 1.977 0.601 0.872 1.000 1.000 CA 1.378 12 residues pruned to eliminate duplicates Z: 28 23.347 2.055 0.738 0.498 0.852 0.296 CB 1.480 28 residues pruned to eliminate duplicates Z: 14 29.787 2.191 1.063 0.789 1.000 0.769 CA 1.419 13 residues pruned to eliminate duplicates Z: 40 33.713 2.199 0.802 0.507 0.897 0.410 CB 1.507 42 residues pruned to eliminate duplicates Z: 29 18.305 1.953 0.530 0.450 0.929 0.500 CB 1.313 20 residues pruned to eliminate duplicates Z: 42 38.285 2.156 0.758 0.581 0.927 0.756 CB 1.574 41 residues pruned to eliminate duplicates Z: 11 30.344 2.187 0.885 0.896 1.000 0.700 CA 1.667 11 residues pruned to eliminate duplicates Z: 16 24.095 1.981 0.605 0.914 0.933 0.800 CA 1.483 15 residues pruned to eliminate duplicates Z: 15 22.315 2.065 0.638 0.832 1.000 0.786 CB 1.323 15 residues pruned to eliminate duplicates Z: 22 30.232 2.064 0.789 0.877 0.905 0.524 CB 1.434 22 residues pruned to eliminate duplicates Z: 18 40.689 2.295 1.375 0.825 0.941 0.412 CB 1.451 18 residues pruned to eliminate duplicates Z: 12 18.549 2.179 0.599 0.856 1.000 0.636 CA 1.184 12 residues pruned to eliminate duplicates Z: 13 18.118 1.778 0.438 0.863 1.000 0.667 CA 1.501 13 residues pruned to eliminate duplicates Z: 12 29.987 2.370 0.678 0.927 1.000 0.818 CB 1.593 12 residues pruned to eliminate duplicates Z: 131 75.742 2.236 0.813 0.652 0.892 0.631 CA 1.594 131 residues pruned to eliminate duplicates Z: 19 25.566 2.096 0.695 0.856 1.000 0.889 CA 1.251 19 residues pruned to eliminate duplicates Z: 11 26.715 2.177 0.817 0.923 1.000 0.900 CB 1.501 11 residues pruned to eliminate duplicates Z: 15 13.229 1.738 0.435 0.882 1.000 0.857 CB 1.025 14 residues pruned to eliminate duplicates Z: 129 72.144 2.222 0.846 0.600 0.891 0.633 CA 1.587 129 residues pruned to eliminate duplicates Z: 14 40.630 2.349 1.138 0.925 1.000 0.769 CB 1.575 14 residues pruned to eliminate duplicates Z: 51 40.673 2.242 0.711 0.518 0.940 0.640 CA 1.567 51 residues pruned to eliminate duplicates Z: 13 22.677 1.866 0.738 0.894 1.000 0.833 CA 1.448 13 residues pruned to eliminate duplicates Z: 11 15.715 1.835 0.417 0.867 1.000 0.900 CB 1.398 11 residues pruned to eliminate duplicates Z: 13 32.953 2.256 1.210 0.881 0.917 0.750 CA 1.507 13 residues pruned to eliminate duplicates Z: 14 27.826 2.197 0.851 0.909 1.000 0.769 CB 1.347 14 residues pruned to eliminate duplicates Z: 7 12.651 2.113 0.478 0.836 0.833 0.833 CA 1.486 Z: 66 40.996 2.197 0.680 0.519 0.938 0.615 CB 1.441 66 residues pruned to eliminate duplicates Z: 8 9.327 1.693 1.093 0.451 1.000 0.857 CA 1.046 Z: 19 22.532 1.929 0.627 0.839 0.944 0.778 CB 1.338 16 residues pruned to eliminate duplicates Z: 18 29.629 2.198 0.924 0.810 0.882 0.765 CA 1.470 18 residues pruned to eliminate duplicates Z: 9 14.905 1.907 0.200 0.919 1.000 1.000 CA 1.624 9 residues pruned to eliminate duplicates Z: 13 23.503 2.008 0.963 0.888 0.917 0.667 CA 1.354 13 residues pruned to eliminate duplicates Z: 67 71.893 2.359 0.902 0.722 0.894 0.606 CA 1.806 67 residues pruned to eliminate duplicates Z: 80 60.321 2.226 0.864 0.667 0.911 0.557 CB 1.537 80 residues pruned to eliminate duplicates Z: 10 31.544 2.359 1.175 0.901 0.889 0.556 CB 1.645 10 residues pruned to eliminate duplicates Z: 20 12.466 1.969 0.593 0.498 0.737 0.526 CB 1.239 20 residues pruned to eliminate duplicates Z: 6 4.998 1.865 0.073 0.681 0.800 0.600 CA 1.182 Z: 12 28.324 2.134 0.901 0.873 1.000 0.727 CB 1.533 12 residues pruned to eliminate duplicates Z: 15 25.641 2.055 0.712 0.796 1.000 0.786 CA 1.503 15 residues pruned to eliminate duplicates Z: 13 24.620 1.997 0.825 0.882 1.000 0.750 CB 1.411 13 residues pruned to eliminate duplicates Z: 149 79.692 2.236 0.838 0.624 0.892 0.595 CB 1.590 149 residues pruned to eliminate duplicates Z: 13 20.689 2.002 0.898 0.864 0.917 0.583 CB 1.257 13 residues pruned to eliminate duplicates Z: 8 8.087 1.751 0.516 0.396 1.000 0.714 CB 1.285 8 residues pruned to eliminate duplicates Z: 21 29.468 2.139 0.929 0.877 0.800 0.450 CA 1.449 21 residues pruned to eliminate duplicates Z: 20 34.657 2.170 1.041 0.873 0.895 0.684 CA 1.460 20 residues pruned to eliminate duplicates Z: 11 23.303 2.005 0.814 0.902 1.000 0.900 CB 1.445 11 residues pruned to eliminate duplicates Z: 13 13.358 1.912 0.553 0.769 0.917 0.750 CA 1.117 13 residues pruned to eliminate duplicates Z: 23 30.866 2.146 0.695 0.812 0.955 0.727 CA 1.444 23 residues pruned to eliminate duplicates Z: 21 36.651 2.200 0.714 0.873 1.000 0.750 CA 1.582 21 residues pruned to eliminate duplicates Z: 13 26.602 2.207 0.794 0.841 0.917 0.750 CA 1.578 13 residues pruned to eliminate duplicates Z: 24 21.782 2.118 1.036 0.427 0.696 0.478 CA 1.634 24 residues pruned to eliminate duplicates Z: 21 32.092 2.171 0.663 0.840 1.000 0.750 CA 1.484 21 residues pruned to eliminate duplicates Z: 11 28.840 2.115 1.041 0.892 1.000 0.800 CA 1.518 11 residues pruned to eliminate duplicates Z: 19 30.395 2.120 0.977 0.821 0.944 0.444 CB 1.370 19 residues pruned to eliminate duplicates Z: 16 14.108 2.064 0.825 0.441 0.667 0.600 CB 1.541 16 residues pruned to eliminate duplicates Z: 51 51.021 2.239 0.929 0.682 0.900 0.680 CB 1.570 51 residues pruned to eliminate duplicates Z: 13 15.262 1.993 0.435 0.854 0.917 0.833 CA 1.241 13 residues pruned to eliminate duplicates Z: 16 19.730 1.892 0.570 0.895 0.933 0.733 CB 1.317 16 residues pruned to eliminate duplicates Z: 22 32.909 2.134 0.794 0.836 0.905 0.429 CA 1.552 22 residues pruned to eliminate duplicates Z: 14 36.865 2.273 1.051 0.863 1.000 0.615 CA 1.609 14 residues pruned to eliminate duplicates Z: 14 23.282 2.045 0.646 0.819 0.923 0.769 CB 1.576 14 residues pruned to eliminate duplicates Z: 13 34.207 2.309 0.901 0.892 1.000 1.000 CA 1.617 13 residues pruned to eliminate duplicates Z: 15 20.820 2.045 0.749 0.725 0.857 0.714 CB 1.481 15 residues pruned to eliminate duplicates Z: 21 27.973 2.196 0.518 0.854 1.000 0.650 CA 1.386 21 residues pruned to eliminate duplicates Z: 12 21.919 1.977 0.917 0.882 1.000 0.455 CA 1.262 12 residues pruned to eliminate duplicates Z: 14 25.479 2.134 0.813 0.821 1.000 0.769 CA 1.383 13 residues pruned to eliminate duplicates Z: 13 14.039 1.733 0.501 0.799 1.000 0.667 CA 1.200 Z: 12 19.473 2.001 0.797 0.874 0.909 0.727 CA 1.307 12 residues pruned to eliminate duplicates Z: 21 36.416 2.186 0.912 0.908 0.950 0.750 CA 1.456 21 residues pruned to eliminate duplicates Z: 7 7.903 1.950 0.293 0.608 0.833 0.667 CA 1.387 7 residues pruned to eliminate duplicates Z: 90 64.198 2.238 0.785 0.680 0.910 0.708 CB 1.586 90 residues pruned to eliminate duplicates Z: 86 61.335 2.243 0.988 0.581 0.859 0.459 CB 1.607 86 residues pruned to eliminate duplicates Z: 16 25.347 1.898 0.699 0.911 1.000 0.867 CA 1.438 20 residues pruned to eliminate duplicates Z: 9 11.001 2.063 0.292 0.841 0.875 0.750 CB 1.243 8 residues pruned to eliminate duplicates Z: 6 7.578 1.936 0.535 0.592 0.800 0.800 CB 1.305 6 residues pruned to eliminate duplicates Z: 22 29.152 2.188 0.737 0.835 0.952 0.619 CA 1.316 22 residues pruned to eliminate duplicates Z: 15 22.235 2.068 0.465 0.905 0.929 0.714 CB 1.503 15 residues pruned to eliminate duplicates Z: 115 77.792 2.264 0.902 0.687 0.912 0.588 CB 1.562 109 residues pruned to eliminate duplicates Z: 12 13.274 1.824 0.172 0.913 1.000 0.818 CB 1.326 12 residues pruned to eliminate duplicates Z: 21 24.329 2.181 0.414 0.832 0.900 0.750 CA 1.471 21 residues pruned to eliminate duplicates Z: 135 92.106 2.277 1.007 0.649 0.896 0.575 CB 1.692 135 residues pruned to eliminate duplicates Z: 36 37.824 2.280 0.818 0.623 0.943 0.686 CA 1.457 36 residues pruned to eliminate duplicates Z: 11 27.534 2.172 0.867 0.887 1.000 0.600 CB 1.548 11 residues pruned to eliminate duplicates Z: 20 27.609 2.204 0.479 0.860 0.947 0.737 CA 1.508 20 residues pruned to eliminate duplicates Z: 9 11.465 1.850 0.837 0.629 0.875 0.375 CA 1.208 9 residues pruned to eliminate duplicates Z: 50 40.100 2.204 0.785 0.517 0.959 0.612 CB 1.492 50 residues pruned to eliminate duplicates Z: 111 80.503 2.281 0.985 0.625 0.909 0.509 CA 1.657 111 residues pruned to eliminate duplicates Z: 22 29.129 2.137 0.543 0.872 0.905 0.714 CA 1.552 22 residues pruned to eliminate duplicates Z: 10 7.701 1.739 0.821 0.464 0.889 0.667 CB 0.946 Z: 11 14.638 1.844 0.343 0.883 1.000 0.800 CB 1.352 8 residues pruned to eliminate duplicates Z: 20 34.662 2.046 1.123 0.850 0.947 0.632 CA 1.432 20 residues pruned to eliminate duplicates Z: 17 19.332 1.901 0.426 0.865 1.000 0.875 CB 1.306 17 residues pruned to eliminate duplicates Z: 16 17.549 1.900 0.465 0.908 1.000 0.800 CB 1.157 16 residues pruned to eliminate duplicates Z: 61 38.283 2.160 0.750 0.453 0.933 0.583 CB 1.470 55 residues pruned to eliminate duplicates Z: 20 22.596 2.181 0.877 0.479 0.789 0.421 CB 1.638 Z: 14 13.646 1.858 0.354 0.862 1.000 0.846 CB 1.105 15 residues pruned to eliminate duplicates Z: 135 90.894 2.296 1.001 0.643 0.881 0.537 CB 1.699 135 residues pruned to eliminate duplicates Z: 21 27.108 2.107 0.573 0.835 0.900 0.700 CB 1.522 21 residues pruned to eliminate duplicates Z: 24 40.011 2.273 1.082 0.696 0.957 0.348 CB 1.541 24 residues pruned to eliminate duplicates Z: 46 44.763 2.202 0.791 0.612 0.889 0.644 CA 1.711 46 residues pruned to eliminate duplicates Z: 93 74.239 2.332 0.978 0.644 0.891 0.565 CB 1.646 93 residues pruned to eliminate duplicates Z: 6 3.890 1.718 0.768 0.298 0.600 0.400 C 1.197 Z: 15 23.368 2.078 0.560 0.920 0.929 0.857 CB 1.461 15 residues pruned to eliminate duplicates Z: 13 40.054 2.250 1.170 0.905 1.000 0.750 CA 1.685 13 residues pruned to eliminate duplicates Z: 81 45.899 2.125 0.612 0.606 0.887 0.663 CB 1.525 81 residues pruned to eliminate duplicates Z: 13 13.781 2.035 0.468 0.786 0.917 0.667 CA 1.130 13 residues pruned to eliminate duplicates Z: 10 8.944 1.560 0.957 0.436 0.889 0.667 CB 1.174 8 residues pruned to eliminate duplicates Z: 21 32.287 2.197 0.745 0.873 0.900 0.550 CA 1.525 21 residues pruned to eliminate duplicates Z: 40 26.852 2.083 0.813 0.527 0.795 0.385 CB 1.395 38 residues pruned to eliminate duplicates Z: 17 35.645 2.273 0.874 0.895 0.938 0.438 CB 1.599 17 residues pruned to eliminate duplicates Z: 10 10.348 1.748 0.292 0.776 0.889 0.556 CA 1.346 8 residues pruned to eliminate duplicates Z: 9 13.066 1.825 0.472 0.828 0.875 0.500 CB 1.481 9 residues pruned to eliminate duplicates Z: 16 33.862 2.246 0.898 0.918 0.933 0.467 CA 1.549 16 residues pruned to eliminate duplicates Z: 20 18.695 1.956 0.455 0.716 1.000 0.842 CB 1.238 20 residues pruned to eliminate duplicates Z: 41 20.161 1.877 0.612 0.445 0.875 0.500 CB 1.274 12 residues pruned to eliminate duplicates Z: 11 17.540 1.916 0.578 0.831 1.000 0.400 CA 1.378 11 residues pruned to eliminate duplicates Z: 6 7.080 2.087 -0.065 0.758 1.000 0.600 CB 1.290 Z: 16 8.120 1.924 0.575 0.366 0.800 0.333 CB 1.000 16 residues pruned to eliminate duplicates Z: 17 36.865 2.109 1.066 0.888 1.000 0.438 CA 1.524 17 residues pruned to eliminate duplicates Z: 25 24.011 2.123 0.868 0.494 0.792 0.458 CA 1.571 25 residues pruned to eliminate duplicates Z: 12 26.859 2.487 0.737 0.822 0.909 0.636 CA 1.559 12 residues pruned to eliminate duplicates Z: 7 9.348 1.763 0.819 0.502 1.000 0.500 CA 1.187 Z: 7 17.103 1.893 1.271 0.658 1.000 1.000 CA 1.402 Z: 7 8.559 1.765 1.008 0.546 0.833 0.833 CA 1.132 7 residues pruned to eliminate duplicates Z: 14 27.766 1.996 0.944 0.914 1.000 0.692 CA 1.403 14 residues pruned to eliminate duplicates Z: 44 41.964 2.117 0.857 0.661 0.930 0.558 CB 1.507 44 residues pruned to eliminate duplicates Z: 13 21.479 2.003 0.612 0.853 1.000 0.750 CA 1.419 13 residues pruned to eliminate duplicates Z: 54 44.919 2.276 0.779 0.566 0.887 0.604 CB 1.613 54 residues pruned to eliminate duplicates Z: 44 42.994 2.199 0.952 0.636 0.930 0.512 CB 1.445 44 residues pruned to eliminate duplicates Z: 8 6.316 1.694 0.480 0.641 0.714 0.286 N 1.168 Z: 11 17.458 1.871 0.420 0.859 1.000 0.700 CB 1.529 11 residues pruned to eliminate duplicates Z: 8 7.027 1.750 0.571 0.473 0.857 0.714 CB 1.158 8 residues pruned to eliminate duplicates Z: 20 28.017 1.994 0.875 0.836 0.947 0.737 CB 1.358 20 residues pruned to eliminate duplicates Z: 28 20.175 2.074 0.695 0.482 0.815 0.519 CB 1.380 29 residues pruned to eliminate duplicates Z: 18 19.673 2.009 0.389 0.878 0.882 0.765 CB 1.407 18 residues pruned to eliminate duplicates Z: 13 12.003 1.798 0.348 0.819 0.917 0.750 CA 1.182 13 residues pruned to eliminate duplicates Z: 11 19.869 2.000 0.926 0.860 0.900 0.700 CA 1.333 11 residues pruned to eliminate duplicates Z: 15 20.473 1.992 0.895 0.781 0.929 0.786 CA 1.219 15 residues pruned to eliminate duplicates Z: 9 10.948 1.906 0.243 0.846 1.000 0.750 CB 1.213 10 residues pruned to eliminate duplicates Z: 13 20.785 1.842 0.813 0.915 1.000 0.917 CB 1.270 14 residues pruned to eliminate duplicates Z: 11 36.153 2.459 1.104 0.837 1.000 0.700 CA 1.653 11 residues pruned to eliminate duplicates Z: 10 10.161 1.624 0.397 0.803 1.000 0.556 CB 1.146 Z: 16 34.687 2.235 1.134 0.936 0.933 0.733 CA 1.401 16 residues pruned to eliminate duplicates Z: 12 28.644 2.177 0.735 0.916 1.000 0.727 CB 1.616 12 residues pruned to eliminate duplicates Z: 65 46.428 2.227 0.741 0.538 0.906 0.625 CB 1.591 85 residues pruned to eliminate duplicates Z: 54 38.431 2.179 0.491 0.689 0.887 0.755 CA 1.540 54 residues pruned to eliminate duplicates Z: 71 71.132 2.329 0.844 0.689 0.943 0.643 CA 1.766 71 residues pruned to eliminate duplicates Z: 11 14.761 1.763 0.584 0.886 1.000 1.000 CB 1.206 Z: 24 31.664 2.133 0.757 0.816 0.913 0.696 CA 1.466 24 residues pruned to eliminate duplicates Z: 10 13.737 1.758 0.545 0.848 1.000 0.778 CB 1.250 9 residues pruned to eliminate duplicates Z: 12 37.992 2.397 1.214 0.878 1.000 0.636 CA 1.567 12 residues pruned to eliminate duplicates Z: 108 77.981 2.227 0.995 0.663 0.916 0.551 CB 1.594 108 residues pruned to eliminate duplicates Z: 7 5.505 1.735 0.556 0.448 0.667 0.500 N 1.317 7 residues pruned to eliminate duplicates Z: 11 19.899 1.911 0.537 0.873 1.000 1.000 CB 1.561 11 residues pruned to eliminate duplicates Z: 11 16.496 1.816 0.832 0.897 1.000 0.800 CB 1.123 11 residues pruned to eliminate duplicates Z: 133 83.396 2.232 0.955 0.644 0.902 0.644 CA 1.612 133 residues pruned to eliminate duplicates Z: 15 31.713 2.209 1.104 0.800 0.929 0.786 CB 1.511 15 residues pruned to eliminate duplicates Z: 27 14.673 2.081 0.692 0.303 0.808 0.500 CA 1.261 27 residues pruned to eliminate duplicates Z: 11 18.628 2.058 0.298 0.893 1.000 0.900 CA 1.583 11 residues pruned to eliminate duplicates Z: 11 17.411 1.811 0.700 0.887 1.000 0.800 CB 1.290 11 residues pruned to eliminate duplicates Z: 16 28.002 2.258 0.662 0.936 0.867 0.533 CB 1.548 16 residues pruned to eliminate duplicates Z: 15 35.728 2.242 1.258 0.928 1.000 0.714 CB 1.321 15 residues pruned to eliminate duplicates Z: 131 93.951 2.333 0.942 0.646 0.931 0.662 CA 1.704 131 residues pruned to eliminate duplicates Z: 18 34.343 2.213 0.712 0.930 0.882 0.706 CA 1.742 18 residues pruned to eliminate duplicates Z: 11 13.680 1.873 0.404 0.900 1.000 1.000 CA 1.176 11 residues pruned to eliminate duplicates Z: 11 20.013 1.924 0.604 0.910 1.000 0.900 CB 1.454 11 residues pruned to eliminate duplicates Z: 11 21.778 2.037 0.612 0.894 1.000 1.000 CA 1.504 11 residues pruned to eliminate duplicates Z: 11 15.492 1.870 0.456 0.866 1.000 0.800 CB 1.317 11 residues pruned to eliminate duplicates Z: 61 66.801 2.371 1.023 0.658 0.883 0.583 CA 1.757 61 residues pruned to eliminate duplicates Z: 15 25.614 2.066 0.655 0.928 0.929 0.857 CA 1.510 15 residues pruned to eliminate duplicates Z: 98 60.568 2.208 0.894 0.620 0.887 0.557 CB 1.482 98 residues pruned to eliminate duplicates Z: 29 35.863 2.191 1.185 0.598 0.893 0.357 CB 1.445 29 residues pruned to eliminate duplicates Z: 21 40.381 2.258 0.884 0.898 0.900 0.750 CA 1.687 21 residues pruned to eliminate duplicates Z: 7 5.654 1.910 -0.371 0.711 1.000 0.667 C 1.586 Z: 17 30.617 2.167 0.831 0.920 0.938 0.812 CA 1.448 17 residues pruned to eliminate duplicates Z: 21 16.748 1.753 0.677 0.588 0.900 0.650 CB 1.302 12 residues pruned to eliminate duplicates Z: 12 27.819 2.031 0.849 0.924 1.000 0.909 CA 1.568 12 residues pruned to eliminate duplicates Z: 12 29.762 2.294 0.771 0.934 1.000 0.909 CB 1.541 12 residues pruned to eliminate duplicates Z: 20 23.568 2.009 0.526 0.846 0.947 0.895 CB 1.384 20 residues pruned to eliminate duplicates Z: 21 35.354 2.198 0.953 0.835 0.950 0.550 CA 1.452 21 residues pruned to eliminate duplicates Z: 6 4.635 1.719 0.103 0.549 0.800 0.400 N 1.302 Z: 133 84.821 2.253 0.951 0.639 0.917 0.705 CB 1.609 133 residues pruned to eliminate duplicates Z: 22 37.488 2.246 0.763 0.869 0.952 0.619 CA 1.585 22 residues pruned to eliminate duplicates Z: 8 9.000 1.896 0.727 0.426 0.714 0.571 N 1.571 Z: 11 25.509 2.116 1.043 0.815 0.900 0.700 CB 1.576 11 residues pruned to eliminate duplicates Z: 13 23.039 1.778 1.011 0.904 1.000 0.750 CA 1.325 13 residues pruned to eliminate duplicates Z: 133 92.494 2.299 1.009 0.633 0.917 0.591 CA 1.677 133 residues pruned to eliminate duplicates Z: 8 10.304 1.692 0.446 0.751 0.857 0.714 CB 1.484 Z: 13 22.677 1.788 0.940 0.877 1.000 0.500 CB 1.371 13 residues pruned to eliminate duplicates Z: 7 2.567 1.719 -0.254 0.345 0.667 0.500 CB 1.450 Z: 13 31.039 2.135 1.079 0.897 0.917 0.750 CA 1.577 13 residues pruned to eliminate duplicates Z: 14 31.569 2.219 0.836 0.899 1.000 0.769 CB 1.537 14 residues pruned to eliminate duplicates Z: 18 26.196 2.041 0.915 0.862 0.941 0.706 CA 1.268 18 residues pruned to eliminate duplicates Z: 54 34.996 2.133 0.765 0.516 0.906 0.585 CB 1.388 54 residues pruned to eliminate duplicates Z: 9 11.661 1.909 0.330 0.789 0.875 0.500 CB 1.440 9 residues pruned to eliminate duplicates Z: 95 60.813 2.243 0.816 0.607 0.872 0.585 CB 1.594 95 residues pruned to eliminate duplicates Z: 26 18.386 1.796 0.749 0.601 0.920 0.560 CB 1.156 10 residues pruned to eliminate duplicates Z: 10 31.771 2.313 1.069 0.920 1.000 0.778 CB 1.558 10 residues pruned to eliminate duplicates Z: 9 11.006 1.973 0.084 0.859 1.000 0.875 CB 1.338 9 residues pruned to eliminate duplicates Z: 13 48.152 2.352 1.315 0.916 1.000 0.583 CA 1.803 13 residues pruned to eliminate duplicates Z: 7 3.767 1.853 0.183 0.629 0.667 0.500 CB 0.932 7 residues pruned to eliminate duplicates Z: 17 32.636 2.129 0.956 0.907 1.000 0.875 CA 1.393 17 residues pruned to eliminate duplicates Z: 11 25.454 2.036 0.942 0.896 1.000 0.400 CB 1.458 11 residues pruned to eliminate duplicates Z: 12 24.597 2.076 0.693 0.911 1.000 0.818 CB 1.495 21 residues pruned to eliminate duplicates Z: 8 12.174 2.024 0.410 0.550 1.000 0.714 CB 1.535 8 residues pruned to eliminate duplicates Z: 13 24.761 1.867 0.963 0.911 1.000 0.500 CA 1.382 13 residues pruned to eliminate duplicates Z: 12 34.511 2.275 1.120 0.887 1.000 0.818 CA 1.555 12 residues pruned to eliminate duplicates Z: 66 50.218 2.223 0.802 0.541 0.954 0.631 CB 1.566 77 residues pruned to eliminate duplicates Z: 20 23.095 1.989 0.433 0.869 1.000 0.895 CA 1.358 20 residues pruned to eliminate duplicates Z: 18 26.356 2.373 0.573 0.665 1.000 0.824 CA 1.471 18 residues pruned to eliminate duplicates Z: 59 37.959 2.191 0.733 0.474 0.914 0.569 CA 1.475 59 residues pruned to eliminate duplicates Z: 14 10.702 1.976 0.442 0.534 0.846 0.385 CB 1.190 17 residues pruned to eliminate duplicates Z: 12 18.775 1.929 0.674 0.868 0.909 0.818 CA 1.410 12 residues pruned to eliminate duplicates Z: 12 13.521 1.765 0.506 0.833 1.000 0.818 CB 1.151 12 residues pruned to eliminate duplicates Z: 6 4.611 1.724 0.404 0.699 0.600 0.400 CA 1.184 6 residues pruned to eliminate duplicates Z: 12 20.621 1.973 0.640 0.904 1.000 0.818 CA 1.368 12 residues pruned to eliminate duplicates Z: 10 14.200 1.989 0.319 0.879 0.889 0.556 CB 1.472 Z: 12 34.118 2.190 1.121 0.903 0.909 0.818 CA 1.736 12 residues pruned to eliminate duplicates Z: 6 2.834 1.491 0.605 0.440 0.600 0.400 CA 0.939 Z: 6 6.810 1.619 0.430 0.541 1.000 0.600 CA 1.264 Z: 14 11.688 1.875 0.196 0.825 1.000 0.769 CB 1.091 13 residues pruned to eliminate duplicates Z: 8 6.505 1.838 0.152 0.783 0.714 0.286 CA 1.267 8 residues pruned to eliminate duplicates Z: 14 27.458 2.212 0.699 0.929 1.000 0.846 CA 1.418 14 residues pruned to eliminate duplicates Z: 9 15.983 1.838 1.000 0.872 1.000 0.875 CB 1.121 9 residues pruned to eliminate duplicates Z: 22 29.623 2.111 0.708 0.814 0.952 0.619 CA 1.433 22 residues pruned to eliminate duplicates Z: 53 39.424 2.237 0.671 0.506 0.923 0.481 CB 1.575 53 residues pruned to eliminate duplicates Z: 8 9.187 1.742 0.816 0.632 0.857 0.429 CA 1.130 8 residues pruned to eliminate duplicates Z: 12 25.086 1.964 0.913 0.890 1.000 0.818 CA 1.448 12 residues pruned to eliminate duplicates Z: 32 30.339 2.118 0.823 0.541 0.839 0.484 CB 1.616 32 residues pruned to eliminate duplicates Z: 13 19.176 2.216 0.210 0.942 1.000 1.000 CA 1.432 13 residues pruned to eliminate duplicates Z: 10 13.865 1.930 0.745 0.798 0.778 0.556 CB 1.360 10 residues pruned to eliminate duplicates Z: 109 79.952 2.254 1.028 0.685 0.907 0.537 CB 1.565 109 residues pruned to eliminate duplicates Z: 14 26.080 2.067 0.883 0.922 0.923 0.769 CA 1.416 14 residues pruned to eliminate duplicates Z: 18 36.593 2.173 0.859 0.900 0.941 0.529 CB 1.667 18 residues pruned to eliminate duplicates Z: 6 7.364 1.776 0.331 0.695 0.800 0.600 CB 1.457 Z: 13 15.150 2.095 1.001 0.822 0.750 0.250 CB 1.052 13 residues pruned to eliminate duplicates Z: 60 70.250 2.317 1.076 0.674 0.915 0.661 CA 1.769 60 residues pruned to eliminate duplicates Z: 16 11.733 2.004 0.886 0.382 0.667 0.400 CB 1.363 16 residues pruned to eliminate duplicates Z: 131 93.099 2.315 0.973 0.647 0.923 0.585 CA 1.688 131 residues pruned to eliminate duplicates Z: 18 39.571 2.321 1.448 0.881 0.882 0.235 CB 1.386 18 residues pruned to eliminate duplicates Z: 13 33.574 2.291 1.034 0.861 1.000 0.750 CA 1.528 13 residues pruned to eliminate duplicates Z: 10 14.060 1.818 0.517 0.810 1.000 0.889 CA 1.297 10 residues pruned to eliminate duplicates Z: 16 18.785 1.918 0.621 0.881 0.867 0.400 CB 1.304 16 residues pruned to eliminate duplicates Z: 83 62.128 2.220 0.931 0.619 0.866 0.622 CB 1.652 83 residues pruned to eliminate duplicates Z: 7 14.488 2.091 0.887 0.530 1.000 0.500 CB 1.455 7 residues pruned to eliminate duplicates Z: 11 16.253 1.970 0.568 0.859 0.900 0.900 CB 1.360 11 residues pruned to eliminate duplicates Z: 12 21.387 1.901 1.057 0.898 0.909 0.909 CB 1.298 12 residues pruned to eliminate duplicates Z: 7 2.721 1.750 0.643 0.463 0.500 0.333 N 0.802 7 residues pruned to eliminate duplicates Z: 6 9.442 1.838 0.466 0.709 1.000 0.600 CB 1.296 Z: 66 70.093 2.337 0.815 0.757 0.923 0.738 CA 1.767 66 residues pruned to eliminate duplicates Z: 7 3.907 1.509 0.811 0.427 0.833 0.500 CB 0.755 Z: 14 36.159 2.331 1.111 0.797 0.923 0.538 CA 1.703 14 residues pruned to eliminate duplicates Z: 12 17.716 1.753 0.809 0.923 1.000 0.727 CB 1.184 12 residues pruned to eliminate duplicates Z: 16 5.690 1.487 0.508 0.287 0.733 0.333 C 1.134 Z: 9 15.605 1.952 0.554 0.845 1.000 0.375 CB 1.353 9 residues pruned to eliminate duplicates Z: 14 4.538 1.731 0.424 0.272 0.846 0.538 CB 0.781 Z: 8 4.034 1.686 0.107 0.437 0.857 0.429 CB 1.017 5 residues pruned to eliminate duplicates Z: 127 86.144 2.247 0.963 0.658 0.929 0.563 CB 1.618 127 residues pruned to eliminate duplicates Z: 8 10.555 1.762 0.380 0.813 0.857 0.571 CB 1.458 8 residues pruned to eliminate duplicates Z: 13 18.801 1.970 0.680 0.800 0.917 0.583 CA 1.376 13 residues pruned to eliminate duplicates Z: 13 19.472 2.130 0.335 0.840 1.000 0.833 CB 1.475 13 residues pruned to eliminate duplicates Z: 14 38.363 2.232 1.146 0.900 1.000 0.462 CA 1.586 14 residues pruned to eliminate duplicates Z: 9 9.398 1.794 0.296 0.636 0.875 0.625 CB 1.437 7 residues pruned to eliminate duplicates Z: 12 2.583 1.594 0.796 0.230 0.545 0.273 CB 0.683 Z: 12 12.665 1.822 0.641 0.870 0.727 0.455 CB 1.282 12 residues pruned to eliminate duplicates Z: 6 4.761 1.847 -0.014 0.831 0.600 0.400 CB 1.463 6 residues pruned to eliminate duplicates Z: 7 6.954 1.752 0.646 0.630 0.833 0.667 CB 1.046 7 residues pruned to eliminate duplicates Z: 34 22.926 1.943 0.810 0.506 0.909 0.424 CB 1.241 39 residues pruned to eliminate duplicates Z: 15 9.086 1.877 1.022 0.221 0.714 0.429 CB 1.243 23 residues pruned to eliminate duplicates Z: 118 77.908 2.251 0.988 0.680 0.906 0.564 CB 1.505 118 residues pruned to eliminate duplicates Z: 10 7.500 2.117 0.414 0.336 0.778 0.667 CA 1.285 18 residues pruned to eliminate duplicates Z: 126 88.813 2.348 0.902 0.653 0.904 0.584 CA 1.707 126 residues pruned to eliminate duplicates Z: 12 38.666 2.340 1.030 0.910 1.000 0.727 CA 1.740 12 residues pruned to eliminate duplicates Z: 13 31.588 2.094 1.056 0.905 0.917 0.667 CB 1.644 13 residues pruned to eliminate duplicates Z: 12 24.522 2.128 0.564 0.894 1.000 0.455 CA 1.594 12 residues pruned to eliminate duplicates Z: 42 51.127 2.217 1.049 0.626 0.927 0.463 CB 1.683 42 residues pruned to eliminate duplicates Z: 12 16.255 1.970 0.290 0.923 1.000 1.000 CB 1.356 12 residues pruned to eliminate duplicates Z: 6 5.415 1.614 0.874 0.421 0.800 0.600 CB 1.087 Z: 14 17.515 1.830 0.583 0.919 1.000 1.000 CB 1.182 14 residues pruned to eliminate duplicates Z: 24 25.906 2.177 0.920 0.491 0.826 0.522 CA 1.578 24 residues pruned to eliminate duplicates Z: 8 15.613 2.122 0.367 0.886 1.000 0.571 CB 1.468 8 residues pruned to eliminate duplicates Z: 12 18.457 2.071 0.193 0.901 1.000 1.000 CA 1.607 12 residues pruned to eliminate duplicates Z: 50 49.675 2.293 0.992 0.542 0.898 0.531 CA 1.660 50 residues pruned to eliminate duplicates Z: 22 33.959 2.084 1.042 0.848 0.905 0.619 CA 1.429 22 residues pruned to eliminate duplicates Z: 11 16.335 1.850 0.611 0.823 1.000 0.700 CA 1.311 13 residues pruned to eliminate duplicates Z: 14 25.082 2.020 0.827 0.873 0.923 0.769 CB 1.486 14 residues pruned to eliminate duplicates Z: 16 23.748 1.927 0.659 0.916 1.000 0.733 CB 1.354 16 residues pruned to eliminate duplicates Z: 20 35.747 2.171 0.799 0.841 1.000 0.632 CB 1.566 20 residues pruned to eliminate duplicates Z: 9 9.608 1.948 0.713 0.528 0.625 0.500 CA 1.584 9 residues pruned to eliminate duplicates Z: 14 37.527 2.259 1.183 0.925 1.000 0.846 CA 1.481 14 residues pruned to eliminate duplicates Z: 116 74.317 2.248 0.919 0.672 0.878 0.696 CB 1.561 116 residues pruned to eliminate duplicates Z: 14 13.177 1.882 0.518 0.745 0.923 0.692 CA 1.113 14 residues pruned to eliminate duplicates Z: 42 34.970 2.178 0.850 0.438 0.976 0.610 CA 1.480 42 residues pruned to eliminate duplicates Z: 88 74.656 2.277 0.868 0.734 0.943 0.690 CB 1.618 88 residues pruned to eliminate duplicates Z: 12 28.564 1.984 1.006 0.928 1.000 0.909 CB 1.515 12 residues pruned to eliminate duplicates Z: 52 45.878 2.256 0.818 0.542 0.941 0.706 CB 1.597 52 residues pruned to eliminate duplicates Z: 8 13.835 1.833 1.223 0.536 1.000 0.714 CB 1.239 9 residues pruned to eliminate duplicates Z: 14 23.341 2.067 0.494 0.898 1.000 0.923 CA 1.500 14 residues pruned to eliminate duplicates Z: 102 73.328 2.295 0.903 0.602 0.931 0.604 CA 1.628 102 residues pruned to eliminate duplicates Z: 6 5.020 1.613 0.962 0.405 0.600 0.600 N 1.306 Z: 74 31.341 1.795 0.544 0.664 0.904 0.630 CB 1.258 55 residues pruned to eliminate duplicates Z: 32 31.603 2.113 0.905 0.529 0.903 0.677 CA 1.517 32 residues pruned to eliminate duplicates Z: 17 22.397 1.842 0.692 0.859 1.000 0.625 CB 1.322 17 residues pruned to eliminate duplicates Z: 10 8.615 1.486 0.652 0.627 1.000 0.778 CB 1.039 10 residues pruned to eliminate duplicates Z: 11 14.754 1.803 1.099 0.896 0.900 0.700 CB 0.981 11 residues pruned to eliminate duplicates Z: 55 43.589 2.256 0.798 0.511 0.926 0.685 CA 1.561 55 residues pruned to eliminate duplicates Z: 11 11.300 2.028 0.186 0.573 0.900 0.600 CB 1.539 11 residues pruned to eliminate duplicates Z: 13 15.084 1.725 0.726 0.897 1.000 0.750 CB 1.047 13 residues pruned to eliminate duplicates Z: 16 16.238 1.766 0.570 0.732 0.867 0.667 CA 1.416 16 residues pruned to eliminate duplicates Z: 30 30.544 2.263 0.656 0.582 0.862 0.586 CA 1.622 30 residues pruned to eliminate duplicates Z: 15 9.144 1.761 0.710 0.419 0.786 0.714 CB 1.124 Z: 9 3.062 1.515 0.248 0.464 0.875 0.625 CB 0.680 Z: 19 21.080 1.980 0.709 0.717 0.944 0.667 CA 1.277 19 residues pruned to eliminate duplicates Z: 8 8.129 1.565 0.456 0.776 0.857 0.571 C 1.234 8 residues pruned to eliminate duplicates Z: 18 14.087 1.792 0.603 0.620 0.882 0.529 CB 1.203 22 residues pruned to eliminate duplicates Z: 120 84.495 2.307 0.964 0.647 0.891 0.538 CB 1.673 120 residues pruned to eliminate duplicates Z: 7 2.655 1.628 0.048 0.448 0.833 0.500 CB 0.804 Z: 128 73.323 2.241 0.669 0.657 0.929 0.669 CA 1.618 128 residues pruned to eliminate duplicates Z: 41 14.343 1.807 0.380 0.366 0.950 0.575 CB 1.106 39 residues pruned to eliminate duplicates Z: 12 14.825 1.921 0.743 0.701 1.000 0.636 CB 1.111 12 residues pruned to eliminate duplicates Z: 34 35.005 2.257 0.952 0.515 0.879 0.667 CB 1.551 34 residues pruned to eliminate duplicates Z: 10 10.761 1.664 0.224 0.848 1.000 0.778 CB 1.307 10 residues pruned to eliminate duplicates Z: 20 19.562 1.986 0.875 0.468 0.895 0.632 CB 1.392 20 residues pruned to eliminate duplicates Z: 13 16.104 2.006 1.062 0.422 0.833 0.583 CA 1.462 13 residues pruned to eliminate duplicates Z: 7 5.403 1.741 0.769 0.325 0.833 0.500 CB 1.042 Z: 7 2.686 1.638 -0.188 0.351 0.833 0.833 CA 1.162 Z: 14 35.364 2.191 1.002 0.883 1.000 0.923 CB 1.616 14 residues pruned to eliminate duplicates Z: 13 36.844 2.196 1.119 0.908 1.000 0.583 CA 1.623 13 residues pruned to eliminate duplicates Z: 10 14.292 1.838 0.847 0.855 0.889 0.778 CB 1.164 10 residues pruned to eliminate duplicates Z: 10 13.203 1.818 0.330 0.837 1.000 0.556 CB 1.362 9 residues pruned to eliminate duplicates Z: 12 14.934 1.868 0.628 0.857 1.000 0.727 CA 1.091 12 residues pruned to eliminate duplicates Z: 31 28.292 2.141 0.692 0.491 0.933 0.667 CA 1.542 31 residues pruned to eliminate duplicates Z: 13 29.583 2.287 0.828 0.831 1.000 0.583 CA 1.535 13 residues pruned to eliminate duplicates Z: 18 34.992 2.166 0.954 0.803 0.941 0.471 CA 1.635 18 residues pruned to eliminate duplicates Z: 91 66.368 2.217 0.936 0.635 0.922 0.544 CB 1.558 91 residues pruned to eliminate duplicates Z: 13 19.729 1.953 0.535 0.889 0.917 0.583 CB 1.492 13 residues pruned to eliminate duplicates Z: 12 15.538 2.178 0.385 0.827 0.727 0.455 CA 1.609 Z: 19 29.430 2.155 0.633 0.868 1.000 0.667 CA 1.441 19 residues pruned to eliminate duplicates Z: 139 91.704 2.269 0.999 0.621 0.913 0.623 CA 1.681 139 residues pruned to eliminate duplicates Z: 7 10.394 1.683 0.957 0.880 0.833 0.667 CA 1.120 7 residues pruned to eliminate duplicates Z: 6 4.620 1.975 0.494 0.611 0.800 0.400 CB 0.788 6 residues pruned to eliminate duplicates Z: 13 12.054 1.930 0.734 0.396 0.833 0.667 CB 1.393 13 residues pruned to eliminate duplicates Z: 7 5.727 1.638 0.340 0.746 0.667 0.333 O 1.283 6 residues pruned to eliminate duplicates Z: 16 18.752 1.854 0.543 0.875 0.933 0.600 CB 1.319 16 residues pruned to eliminate duplicates Z: 6 3.940 1.441 0.410 0.435 0.800 0.800 N 1.159 Z: 63 63.545 2.253 0.925 0.705 0.952 0.677 CA 1.622 63 residues pruned to eliminate duplicates Z: 14 31.364 2.146 0.822 0.878 1.000 0.923 CB 1.615 14 residues pruned to eliminate duplicates Z: 17 25.230 2.126 0.656 0.905 1.000 0.875 CA 1.275 17 residues pruned to eliminate duplicates Z: 12 26.799 2.018 0.786 0.899 1.000 0.545 CB 1.603 12 residues pruned to eliminate duplicates Z: 9 18.319 2.112 1.047 0.813 0.750 0.500 CB 1.522 9 residues pruned to eliminate duplicates Z: 11 17.481 2.020 0.320 0.921 1.000 1.000 CA 1.458 11 residues pruned to eliminate duplicates Z: 6 8.310 1.587 0.503 0.761 1.000 0.600 CB 1.236 6 residues pruned to eliminate duplicates Z: 6 4.003 1.536 -0.080 0.760 1.000 0.800 CB 1.005 6 residues pruned to eliminate duplicates Z: 7 5.642 1.847 0.195 0.383 0.833 0.500 CB 1.419 7 residues pruned to eliminate duplicates Z: 13 24.608 1.941 0.918 0.935 1.000 0.833 CB 1.330 13 residues pruned to eliminate duplicates Z: 20 40.239 2.224 1.099 0.759 1.000 0.579 CA 1.571 20 residues pruned to eliminate duplicates Z: 9 4.022 1.654 0.376 0.385 0.875 0.500 N 0.807 Z: 12 16.134 1.813 0.734 0.924 1.000 0.545 CB 1.087 12 residues pruned to eliminate duplicates Z: 13 20.657 1.906 0.628 0.877 1.000 0.833 CB 1.396 13 residues pruned to eliminate duplicates Z: 6 11.272 2.014 0.625 0.812 0.800 0.600 CB 1.468 6 residues pruned to eliminate duplicates Z: 8 3.550 1.647 0.101 0.303 0.857 0.571 CA 1.075 Z: 18 10.872 1.680 0.540 0.558 0.824 0.588 CB 1.171 16 residues pruned to eliminate duplicates Z: 50 27.788 1.958 0.635 0.393 0.939 0.551 CB 1.479 50 residues pruned to eliminate duplicates Z: 11 13.315 1.799 0.423 0.901 1.000 1.000 CB 1.173 11 residues pruned to eliminate duplicates Z: 50 45.122 2.292 0.809 0.508 0.918 0.653 CB 1.679 84 residues pruned to eliminate duplicates Z: 50 38.897 2.213 0.735 0.518 0.918 0.673 CA 1.548 50 residues pruned to eliminate duplicates Z: 14 14.901 2.080 0.330 0.674 1.000 0.769 CB 1.272 8 residues pruned to eliminate duplicates Z: 14 22.683 2.073 0.591 0.893 0.923 0.692 CA 1.483 14 residues pruned to eliminate duplicates Z: 16 25.631 1.910 0.915 0.943 1.000 0.333 CB 1.254 16 residues pruned to eliminate duplicates Z: 9 11.257 1.846 0.654 0.850 1.000 0.500 CB 0.966 9 residues pruned to eliminate duplicates Z: 28 13.426 1.876 0.574 0.398 0.889 0.407 CB 1.096 25 residues pruned to eliminate duplicates Z: 25 22.352 1.881 0.779 0.640 0.958 0.625 CB 1.249 41 residues pruned to eliminate duplicates Z: 12 21.706 2.080 0.711 0.885 1.000 0.727 CB 1.328 12 residues pruned to eliminate duplicates Z: 9 4.984 1.621 0.573 0.314 0.875 0.375 CB 0.971 9 residues pruned to eliminate duplicates Z: 46 44.514 2.274 0.944 0.550 0.867 0.511 CB 1.649 46 residues pruned to eliminate duplicates Z: 20 11.572 1.906 0.398 0.321 0.895 0.526 CB 1.357 8 residues pruned to eliminate duplicates Z: 14 36.643 2.261 1.082 0.915 1.000 0.846 CA 1.527 14 residues pruned to eliminate duplicates Z: 23 27.380 2.078 0.689 0.877 0.909 0.773 CA 1.328 23 residues pruned to eliminate duplicates Z: 23 14.521 1.837 0.282 0.700 0.864 0.864 CB 1.268 23 residues pruned to eliminate duplicates Z: 28 34.771 2.303 0.874 0.558 0.963 0.667 CA 1.522 28 residues pruned to eliminate duplicates Z: 6 14.278 2.046 0.841 0.779 1.000 0.400 CA 1.325 6 residues pruned to eliminate duplicates Z: 12 18.358 1.964 0.643 0.879 0.909 0.909 CB 1.368 12 residues pruned to eliminate duplicates Z: 10 16.868 1.899 0.553 0.892 1.000 0.889 CB 1.370 10 residues pruned to eliminate duplicates Z: 7 3.760 1.571 0.493 0.523 0.833 0.500 CB 0.768 Z: 77 58.462 2.172 0.908 0.688 0.895 0.487 CB 1.523 77 residues pruned to eliminate duplicates Z: 102 80.362 2.330 0.894 0.662 0.911 0.624 CA 1.711 102 residues pruned to eliminate duplicates Z: 20 21.259 1.943 0.548 0.823 0.895 0.368 CB 1.370 20 residues pruned to eliminate duplicates Z: 7 4.296 1.530 0.558 0.509 0.833 0.667 N 0.875 Z: 18 39.002 2.276 0.869 0.904 1.000 0.824 CA 1.584 18 residues pruned to eliminate duplicates Z: 64 49.411 2.201 0.812 0.658 0.905 0.667 CA 1.490 64 residues pruned to eliminate duplicates Z: 21 33.501 2.230 0.911 0.863 0.900 0.700 CA 1.434 21 residues pruned to eliminate duplicates Z: 132 83.772 2.270 0.893 0.632 0.908 0.641 CA 1.658 132 residues pruned to eliminate duplicates Z: 18 20.256 1.891 0.576 0.891 0.882 0.824 CB 1.343 18 residues pruned to eliminate duplicates Z: 12 27.857 2.119 0.951 0.921 0.909 0.545 CB 1.573 12 residues pruned to eliminate duplicates Z: 13 24.861 2.201 0.716 0.876 0.917 0.667 CB 1.507 13 residues pruned to eliminate duplicates Z: 12 16.222 1.816 0.398 0.914 1.000 0.818 CB 1.361 12 residues pruned to eliminate duplicates Z: 6 2.188 1.461 0.017 0.290 0.800 0.600 CB 1.042 Z: 14 23.285 2.001 0.582 0.873 1.000 0.846 CA 1.485 14 residues pruned to eliminate duplicates Z: 10 9.324 1.658 0.129 0.855 1.000 0.889 CB 1.226 10 residues pruned to eliminate duplicates Z: 14 12.554 1.772 0.158 0.903 1.000 1.000 CB 1.210 14 residues pruned to eliminate duplicates Z: 16 13.230 1.796 0.414 0.851 0.933 0.667 CB 1.066 16 residues pruned to eliminate duplicates Z: 12 6.676 1.739 0.518 0.392 0.818 0.727 CB 1.045 12 residues pruned to eliminate duplicates Z: 11 19.360 2.093 0.478 0.789 0.900 0.900 CB 1.705 11 residues pruned to eliminate duplicates Z: 26 10.650 1.753 0.535 0.290 0.760 0.440 CB 1.319 26 residues pruned to eliminate duplicates Z: 9 11.829 1.757 0.438 0.891 1.000 0.750 CB 1.190 9 residues pruned to eliminate duplicates Z: 10 3.806 1.550 0.515 0.368 0.667 0.444 CB 0.935 Z: 17 21.281 1.853 0.653 0.856 0.938 0.688 CB 1.367 17 residues pruned to eliminate duplicates Z: 9 6.795 1.449 0.447 0.852 1.000 0.625 N 0.848 9 residues pruned to eliminate duplicates Z: 12 20.646 1.814 0.982 0.921 1.000 0.818 CB 1.219 12 residues pruned to eliminate duplicates Z: 8 4.833 1.485 1.076 0.400 0.714 0.571 N 0.921 Z: 15 16.620 1.856 0.868 0.697 0.857 0.357 CB 1.249 15 residues pruned to eliminate duplicates Z: 12 17.196 1.836 0.689 0.910 1.000 0.636 CB 1.186 14 residues pruned to eliminate duplicates Z: 18 44.079 2.205 1.157 0.908 1.000 0.471 CB 1.596 24 residues pruned to eliminate duplicates Z: 17 33.511 2.178 0.728 0.939 0.938 0.688 CA 1.650 17 residues pruned to eliminate duplicates Z: 14 5.251 1.692 0.275 0.414 0.923 0.769 CB 0.801 Z: 6 5.255 1.595 0.252 0.521 1.000 0.600 N 1.154 Z: 12 20.880 2.043 0.495 0.916 1.000 0.818 CB 1.456 12 residues pruned to eliminate duplicates Z: 12 9.182 1.774 0.431 0.731 0.818 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 33 29.933 2.154 0.789 0.495 0.875 0.656 CA 1.576 33 residues pruned to eliminate duplicates 7 0.856 1.222 -0.141 0.337 0.833 0.667 CB 0.477 ? Z: 26 19.232 1.969 0.608 0.494 0.840 0.600 CB 1.455 26 residues pruned to eliminate duplicates Z: 28 18.685 2.121 0.502 0.511 0.815 0.556 CB 1.370 28 residues pruned to eliminate duplicates Z: 18 29.783 2.203 0.595 0.921 0.941 0.941 CA 1.536 18 residues pruned to eliminate duplicates Z: 12 23.536 1.978 0.955 0.910 1.000 0.636 CB 1.301 12 residues pruned to eliminate duplicates Z: 89 70.016 2.205 0.902 0.711 0.943 0.636 CB 1.558 89 residues pruned to eliminate duplicates Z: 7 13.723 1.761 1.059 0.840 0.833 0.333 CB 1.384 7 residues pruned to eliminate duplicates Z: 16 32.728 2.163 0.952 0.897 1.000 0.400 CA 1.432 16 residues pruned to eliminate duplicates Z: 15 36.973 2.306 0.973 0.918 1.000 0.714 CA 1.532 15 residues pruned to eliminate duplicates Z: 8 7.088 1.780 0.205 0.763 0.857 0.429 CB 1.155 8 residues pruned to eliminate duplicates Z: 40 32.199 2.170 0.570 0.549 0.949 0.667 CB 1.521 35 residues pruned to eliminate duplicates Z: 111 70.608 2.212 0.905 0.628 0.909 0.636 CB 1.559 111 residues pruned to eliminate duplicates Z: 6 7.050 1.719 0.624 0.650 0.800 0.400 CA 1.227 6 residues pruned to eliminate duplicates Z: 10 7.057 1.702 0.274 0.512 0.889 0.778 CB 1.205 8 residues pruned to eliminate duplicates Z: 12 33.080 2.125 1.114 0.921 1.000 0.818 CB 1.562 12 residues pruned to eliminate duplicates Z: 10 11.191 1.833 0.658 0.817 0.778 0.222 CB 1.198 10 residues pruned to eliminate duplicates Z: 29 35.613 2.078 0.961 0.612 0.964 0.571 CB 1.540 29 residues pruned to eliminate duplicates Z: 101 89.713 2.325 0.986 0.688 0.920 0.640 CA 1.778 101 residues pruned to eliminate duplicates Z: 11 13.551 1.885 0.515 0.848 0.900 0.800 CB 1.237 10 residues pruned to eliminate duplicates Z: 29 27.431 2.158 0.755 0.503 0.893 0.607 CB 1.528 29 residues pruned to eliminate duplicates Z: 12 13.599 1.819 0.263 0.831 1.000 0.818 CA 1.340 12 residues pruned to eliminate duplicates 7 1.331 1.202 0.485 0.243 0.667 0.500 N 0.614 ? Z: 7 7.030 1.854 0.349 0.473 0.833 0.500 CB 1.415 7 residues pruned to eliminate duplicates Z: 12 11.649 1.614 0.487 0.871 0.818 0.727 CA 1.305 12 residues pruned to eliminate duplicates Z: 11 19.061 1.967 0.569 0.808 1.000 0.700 CB 1.493 11 residues pruned to eliminate duplicates Z: 17 21.812 2.102 1.119 0.475 0.812 0.500 CA 1.545 16 residues pruned to eliminate duplicates Z: 44 39.098 2.123 0.870 0.588 0.953 0.628 CB 1.448 42 residues pruned to eliminate duplicates Z: 8 4.669 1.658 0.123 0.577 0.857 0.571 CB 1.027 Z: 11 15.769 1.865 0.520 0.856 1.000 0.600 CB 1.298 11 residues pruned to eliminate duplicates Z: 30 23.687 2.046 0.712 0.595 0.862 0.724 CB 1.330 30 residues pruned to eliminate duplicates Z: 6 4.762 1.753 0.418 0.393 0.800 0.600 CB 1.200 Z: 31 31.347 2.219 0.893 0.587 0.833 0.533 CB 1.504 31 residues pruned to eliminate duplicates Z: 7 2.575 1.234 0.231 0.722 0.833 0.667 CB 0.680 7 residues pruned to eliminate duplicates Z: 44 50.615 2.276 0.881 0.722 0.930 0.651 CA 1.586 44 residues pruned to eliminate duplicates Z: 22 18.946 2.105 0.626 0.437 0.810 0.524 CB 1.593 22 residues pruned to eliminate duplicates Z: 6 11.035 1.876 1.035 0.647 0.800 0.800 CB 1.409 Z: 9 12.061 1.811 1.023 0.458 1.000 0.375 CB 1.215 Z: 8 7.586 1.672 0.545 0.624 0.857 0.429 N 1.153 8 residues pruned to eliminate duplicates Z: 6 2.244 1.459 -0.002 0.241 0.800 0.200 CB 1.163 Z: 13 5.096 1.467 0.489 0.339 0.833 0.500 CB 0.964 8 residues pruned to eliminate duplicates Z: 16 18.885 2.054 0.847 0.469 0.867 0.600 CA 1.531 16 residues pruned to eliminate duplicates Z: 109 89.703 2.338 1.034 0.661 0.926 0.583 CA 1.688 109 residues pruned to eliminate duplicates Z: 12 20.090 1.973 0.639 0.895 1.000 0.909 CA 1.343 12 residues pruned to eliminate duplicates Z: 22 18.496 2.002 0.525 0.641 0.952 0.667 CB 1.216 22 residues pruned to eliminate duplicates 6 0.912 1.177 -0.020 0.423 0.600 0.600 O 0.638 ? Z: 12 11.359 1.747 0.390 0.822 0.909 0.727 CB 1.173 11 residues pruned to eliminate duplicates Z: 9 5.753 1.774 0.157 0.618 0.750 0.500 CB 1.182 9 residues pruned to eliminate duplicates Z: 13 15.062 1.741 0.548 0.874 1.000 0.833 CA 1.175 13 residues pruned to eliminate duplicates Z: 20 16.128 1.938 0.630 0.457 0.947 0.684 CB 1.292 20 residues pruned to eliminate duplicates Z: 7 10.853 2.032 0.864 0.792 0.833 0.333 CB 1.087 7 residues pruned to eliminate duplicates Z: 16 17.344 1.869 0.349 0.858 1.000 0.800 CB 1.309 16 residues pruned to eliminate duplicates Z: 12 16.802 1.935 0.807 0.879 0.818 0.545 CB 1.284 12 residues pruned to eliminate duplicates Z: 43 46.804 2.344 0.908 0.576 0.905 0.619 CA 1.659 83 residues pruned to eliminate duplicates Z: 93 64.120 2.255 1.010 0.563 0.870 0.500 CB 1.595 55 residues pruned to eliminate duplicates Z: 13 15.267 1.919 0.227 0.818 1.000 0.750 CA 1.420 13 residues pruned to eliminate duplicates Z: 46 36.267 2.229 0.820 0.493 0.844 0.556 CB 1.589 46 residues pruned to eliminate duplicates Z: 51 44.444 2.220 0.950 0.522 0.980 0.640 CA 1.449 51 residues pruned to eliminate duplicates Z: 87 71.609 2.278 0.933 0.668 0.919 0.674 CA 1.635 87 residues pruned to eliminate duplicates Z: 14 4.145 1.529 0.683 0.300 0.769 0.769 CB 0.726 14 residues pruned to eliminate duplicates Z: 7 3.686 1.602 0.678 0.394 0.833 0.333 N 0.752 Z: 20 22.841 1.906 0.755 0.828 0.895 0.737 CB 1.319 20 residues pruned to eliminate duplicates Z: 9 14.124 1.888 0.704 0.863 0.875 0.500 CB 1.301 9 residues pruned to eliminate duplicates Z: 11 16.168 1.759 0.564 0.845 0.900 0.900 N 1.535 11 residues pruned to eliminate duplicates Z: 20 28.972 2.255 0.577 0.862 0.947 0.842 CA 1.449 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 11.292 2.027 0.581 0.343 0.833 0.667 CB 1.447 10 residues pruned to eliminate duplicates Z: 6 6.388 1.645 1.187 0.465 1.000 1.000 CA 0.823 6 residues pruned to eliminate duplicates Z: 152 77.930 2.232 0.966 0.596 0.854 0.603 CB 1.544 152 residues pruned to eliminate duplicates Z: 14 14.930 1.958 0.431 0.785 0.846 0.846 CB 1.359 14 residues pruned to eliminate duplicates Z: 46 28.807 1.905 0.490 0.738 0.933 0.756 CB 1.309 46 residues pruned to eliminate duplicates Z: 23 12.365 1.751 0.584 0.570 0.773 0.364 CB 1.150 23 residues pruned to eliminate duplicates Z: 13 21.764 1.929 0.714 0.840 1.000 0.583 CB 1.417 13 residues pruned to eliminate duplicates Z: 15 17.942 1.888 0.703 0.727 0.929 0.643 CB 1.309 15 residues pruned to eliminate duplicates Z: 15 15.541 1.812 0.532 0.785 1.000 0.714 CB 1.164 15 residues pruned to eliminate duplicates Z: 47 23.065 1.849 0.580 0.682 0.848 0.565 CB 1.162 47 residues pruned to eliminate duplicates Z: 37 23.527 1.915 0.605 0.683 0.889 0.722 CB 1.213 37 residues pruned to eliminate duplicates Z: 42 24.121 1.851 0.500 0.689 0.902 0.659 CB 1.265 42 residues pruned to eliminate duplicates Z: 16 13.550 1.856 0.485 0.683 0.867 0.533 CB 1.238 16 residues pruned to eliminate duplicates Z: 8 10.092 1.775 0.983 0.452 1.000 1.000 CB 1.138 8 residues pruned to eliminate duplicates Z: 8 9.178 1.752 0.916 0.457 1.000 0.714 CB 1.080 8 residues pruned to eliminate duplicates Z: 9 6.840 1.743 0.674 0.363 0.875 0.875 CB 1.098 9 residues pruned to eliminate duplicates Z: 8 6.595 1.660 0.594 0.421 0.857 0.571 CA 1.193 8 residues pruned to eliminate duplicates Z: 124 73.932 2.236 0.742 0.666 0.927 0.642 CB 1.582 124 residues pruned to eliminate duplicates Z: 125 81.155 2.233 0.952 0.656 0.919 0.605 CB 1.573 125 residues pruned to eliminate duplicates Z: 125 71.174 2.203 0.807 0.654 0.919 0.581 CB 1.514 125 residues pruned to eliminate duplicates Z: 30 39.209 2.263 0.916 0.702 0.897 0.552 CB 1.559 30 residues pruned to eliminate duplicates Z: 34 31.564 2.161 1.096 0.531 0.848 0.515 CB 1.387 34 residues pruned to eliminate duplicates Z: 101 77.207 2.261 0.958 0.684 0.920 0.640 CB 1.600 101 residues pruned to eliminate duplicates Z: 111 79.381 2.279 0.907 0.697 0.955 0.655 CB 1.524 111 residues pruned to eliminate duplicates Z: 96 74.133 2.266 0.839 0.693 0.926 0.621 CA 1.651 96 residues pruned to eliminate duplicates Z: 19 41.858 2.248 1.363 0.833 1.000 0.444 CB 1.393 19 residues pruned to eliminate duplicates Z: 82 65.531 2.252 0.946 0.677 0.889 0.580 CB 1.588 82 residues pruned to eliminate duplicates Z: 128 78.180 2.239 0.839 0.660 0.921 0.575 CB 1.576 128 residues pruned to eliminate duplicates Z: 40 38.008 2.207 0.983 0.614 0.846 0.436 CB 1.476 40 residues pruned to eliminate duplicates Z: 36 38.804 2.201 1.018 0.647 0.914 0.400 CB 1.408 39 residues pruned to eliminate duplicates Z: 17 41.893 2.337 1.287 0.843 1.000 0.562 CB 1.459 17 residues pruned to eliminate duplicates Z: 34 44.986 2.302 1.226 0.652 0.879 0.485 CB 1.510 34 residues pruned to eliminate duplicates Z: 30 45.456 2.275 1.214 0.708 0.931 0.483 CB 1.490 30 residues pruned to eliminate duplicates Z: 133 74.513 2.216 0.939 0.627 0.879 0.561 CB 1.524 133 residues pruned to eliminate duplicates Z: 134 75.772 2.215 0.898 0.632 0.895 0.624 CB 1.543 134 residues pruned to eliminate duplicates Z: 129 78.935 2.235 0.863 0.664 0.930 0.641 CB 1.549 129 residues pruned to eliminate duplicates Z: 126 80.648 2.236 0.871 0.658 0.936 0.616 CB 1.591 126 residues pruned to eliminate duplicates Z: 77 74.534 2.318 0.992 0.704 0.947 0.697 CA 1.624 77 residues pruned to eliminate duplicates Z: 114 69.731 2.218 0.905 0.633 0.903 0.637 CB 1.518 114 residues pruned to eliminate duplicates Z: 107 85.714 2.299 0.942 0.712 0.953 0.698 CB 1.615 107 residues pruned to eliminate duplicates Z: 114 73.978 2.240 0.915 0.661 0.938 0.566 CB 1.489 114 residues pruned to eliminate duplicates Z: 114 77.445 2.270 0.879 0.678 0.947 0.602 CB 1.531 114 residues pruned to eliminate duplicates Z: 99 73.600 2.274 0.878 0.684 0.939 0.653 CB 1.566 99 residues pruned to eliminate duplicates Z: 109 81.634 2.270 0.890 0.730 0.944 0.694 CB 1.577 109 residues pruned to eliminate duplicates Z: 116 72.328 2.262 0.819 0.663 0.913 0.626 CB 1.543 123 residues pruned to eliminate duplicates Z: 107 81.197 2.281 0.911 0.722 0.925 0.660 CB 1.602 107 residues pruned to eliminate duplicates Z: 112 69.311 2.211 0.840 0.654 0.892 0.694 CB 1.571 112 residues pruned to eliminate duplicates Z: 90 80.822 2.309 1.067 0.709 0.933 0.685 CB 1.592 90 residues pruned to eliminate duplicates Z: 108 80.980 2.281 0.948 0.693 0.925 0.626 CB 1.596 108 residues pruned to eliminate duplicates Z: 97 61.839 2.181 0.911 0.618 0.906 0.552 CB 1.495 97 residues pruned to eliminate duplicates Z: 61 51.744 2.239 0.814 0.671 0.867 0.633 CA 1.620 61 residues pruned to eliminate duplicates Z: 106 85.379 2.312 0.963 0.729 0.933 0.686 CB 1.600 106 residues pruned to eliminate duplicates Z: 108 77.480 2.264 0.980 0.655 0.916 0.551 CB 1.579 108 residues pruned to eliminate duplicates Z: 95 75.560 2.262 0.917 0.716 0.936 0.660 CB 1.579 95 residues pruned to eliminate duplicates Z: 107 75.972 2.271 0.881 0.654 0.943 0.604 CB 1.586 107 residues pruned to eliminate duplicates Z: 93 62.245 2.207 0.912 0.598 0.880 0.641 CB 1.590 93 residues pruned to eliminate duplicates Z: 100 68.305 2.249 0.797 0.686 0.909 0.667 CB 1.575 100 residues pruned to eliminate duplicates Z: 114 78.507 2.254 0.961 0.688 0.912 0.611 CB 1.543 114 residues pruned to eliminate duplicates Z: 95 58.720 2.207 0.709 0.630 0.926 0.564 CB 1.535 95 residues pruned to eliminate duplicates Z: 95 81.449 2.290 0.955 0.719 0.957 0.617 CB 1.609 95 residues pruned to eliminate duplicates Z: 79 60.655 2.263 0.795 0.666 0.923 0.628 CB 1.571 79 residues pruned to eliminate duplicates Z: 127 76.015 2.246 0.871 0.633 0.913 0.563 CB 1.559 126 residues pruned to eliminate duplicates Z: 17 30.330 2.192 1.180 0.732 0.875 0.625 CA 1.472 17 residues pruned to eliminate duplicates Z: 101 63.796 2.220 0.843 0.659 0.890 0.630 CB 1.512 101 residues pruned to eliminate duplicates Z: 94 61.021 2.248 0.815 0.624 0.892 0.667 CB 1.546 94 residues pruned to eliminate duplicates Z: 88 80.210 2.306 0.939 0.733 0.954 0.609 CB 1.635 88 residues pruned to eliminate duplicates Z: 129 68.948 2.195 0.869 0.613 0.906 0.664 CB 1.473 129 residues pruned to eliminate duplicates Z: 119 82.240 2.264 0.945 0.671 0.949 0.610 CB 1.547 119 residues pruned to eliminate duplicates Z: 130 75.134 2.216 0.919 0.619 0.884 0.574 CB 1.573 130 residues pruned to eliminate duplicates Z: 96 63.456 2.210 0.834 0.618 0.916 0.589 CB 1.569 96 residues pruned to eliminate duplicates Z: 124 80.337 2.252 0.927 0.658 0.911 0.618 CB 1.583 124 residues pruned to eliminate duplicates Z: 97 59.415 2.212 0.764 0.600 0.917 0.604 CB 1.541 97 residues pruned to eliminate duplicates Z: 136 75.424 2.200 0.884 0.618 0.933 0.556 CB 1.500 136 residues pruned to eliminate duplicates Z: 80 61.073 2.261 0.790 0.665 0.924 0.595 CB 1.577 80 residues pruned to eliminate duplicates Z: 128 73.936 2.207 0.836 0.643 0.913 0.567 CB 1.551 128 residues pruned to eliminate duplicates Z: 42 46.008 2.288 0.796 0.692 0.951 0.610 CB 1.542 42 residues pruned to eliminate duplicates Z: 96 79.981 2.294 0.961 0.693 0.937 0.589 CB 1.633 96 residues pruned to eliminate duplicates Z: 129 79.168 2.218 0.928 0.661 0.906 0.602 CB 1.554 129 residues pruned to eliminate duplicates Z: 95 64.921 2.237 0.866 0.622 0.904 0.532 CB 1.582 95 residues pruned to eliminate duplicates Z: 129 77.953 2.236 0.840 0.651 0.914 0.562 CB 1.591 129 residues pruned to eliminate duplicates Z: 98 70.704 2.247 0.986 0.667 0.887 0.546 CB 1.554 98 residues pruned to eliminate duplicates Z: 85 73.248 2.302 0.829 0.725 0.940 0.643 CB 1.647 85 residues pruned to eliminate duplicates Z: 91 78.242 2.277 1.036 0.693 0.933 0.589 CB 1.597 91 residues pruned to eliminate duplicates Z: 111 78.536 2.266 0.928 0.697 0.936 0.636 CB 1.530 111 residues pruned to eliminate duplicates Z: 90 77.118 2.296 0.938 0.716 0.933 0.697 CB 1.620 90 residues pruned to eliminate duplicates Z: 88 51.747 2.149 0.723 0.609 0.885 0.598 CB 1.526 88 residues pruned to eliminate duplicates Z: 127 81.230 2.229 0.911 0.668 0.929 0.563 CB 1.567 127 residues pruned to eliminate duplicates Z: 15 17.205 2.197 0.427 0.708 0.929 0.857 CB 1.307 15 residues pruned to eliminate duplicates Z: 54 64.217 2.325 0.922 0.747 0.962 0.679 CB 1.646 54 residues pruned to eliminate duplicates Z: 133 75.202 2.224 0.894 0.638 0.879 0.538 CB 1.554 133 residues pruned to eliminate duplicates Z: 71 57.708 2.256 0.822 0.643 0.900 0.557 CA 1.632 71 residues pruned to eliminate duplicates Z: 100 74.550 2.264 0.923 0.668 0.939 0.576 CB 1.568 100 residues pruned to eliminate duplicates Z: 99 75.438 2.263 0.896 0.702 0.939 0.673 CB 1.574 99 residues pruned to eliminate duplicates Z: 21 22.133 2.008 0.654 0.698 0.950 0.750 CB 1.309 21 residues pruned to eliminate duplicates Z: 130 76.560 2.211 0.920 0.619 0.930 0.574 CB 1.525 130 residues pruned to eliminate duplicates Z: 16 19.320 2.094 0.701 0.673 0.933 0.800 CB 1.280 16 residues pruned to eliminate duplicates Z: 74 44.637 2.129 0.749 0.611 0.890 0.534 CB 1.418 74 residues pruned to eliminate duplicates Z: 85 69.286 2.263 0.932 0.702 0.929 0.560 CB 1.549 85 residues pruned to eliminate duplicates Z: 94 65.120 2.221 0.922 0.632 0.914 0.548 CB 1.530 94 residues pruned to eliminate duplicates Z: 18 17.069 2.017 0.700 0.687 0.941 0.176 CB 1.081 18 residues pruned to eliminate duplicates Z: 38 32.361 2.138 0.791 0.641 0.946 0.541 CB 1.287 38 residues pruned to eliminate duplicates Z: 121 70.562 2.172 0.952 0.658 0.917 0.467 CB 1.431 121 residues pruned to eliminate duplicates Z: 99 82.663 2.286 1.004 0.698 0.929 0.643 CA 1.638 99 residues pruned to eliminate duplicates Z: 115 77.858 2.234 0.986 0.671 0.930 0.614 CB 1.509 115 residues pruned to eliminate duplicates Z: 113 82.905 2.253 1.021 0.694 0.929 0.625 CB 1.551 113 residues pruned to eliminate duplicates Z: 28 24.358 2.070 0.834 0.522 0.889 0.481 CB 1.359 28 residues pruned to eliminate duplicates Z: 31 22.026 1.999 0.749 0.555 0.900 0.500 CB 1.211 31 residues pruned to eliminate duplicates Z: 34 30.602 2.198 0.725 0.674 0.848 0.545 CB 1.411 34 residues pruned to eliminate duplicates Z: 107 61.550 2.162 0.777 0.634 0.896 0.547 CB 1.531 109 residues pruned to eliminate duplicates Z: 16 25.299 2.065 0.896 0.793 1.000 0.533 CB 1.290 16 residues pruned to eliminate duplicates Z: 131 71.534 2.195 0.897 0.612 0.900 0.546 CB 1.505 131 residues pruned to eliminate duplicates Z: 58 34.288 2.094 0.803 0.539 0.860 0.596 CB 1.347 58 residues pruned to eliminate duplicates Z: 128 75.766 2.225 0.903 0.649 0.906 0.559 CB 1.525 128 residues pruned to eliminate duplicates Z: 37 27.078 2.101 0.907 0.467 0.806 0.417 CB 1.445 37 residues pruned to eliminate duplicates Z: 135 67.591 2.173 0.883 0.602 0.873 0.522 CB 1.482 135 residues pruned to eliminate duplicates Z: 17 19.592 2.044 1.054 0.576 0.875 0.562 CB 1.239 17 residues pruned to eliminate duplicates Z: 128 77.771 2.203 1.013 0.637 0.898 0.504 CB 1.524 128 residues pruned to eliminate duplicates Z: 75 62.040 2.223 1.042 0.648 0.892 0.459 CB 1.552 75 residues pruned to eliminate duplicates Z: 42 22.096 1.992 0.744 0.480 0.829 0.390 CB 1.223 42 residues pruned to eliminate duplicates Z: 36 28.996 2.127 0.773 0.594 0.886 0.371 CB 1.342 36 residues pruned to eliminate duplicates Z: 39 28.545 2.107 0.833 0.505 0.842 0.342 CB 1.417 39 residues pruned to eliminate duplicates Z: 36 25.049 2.073 0.949 0.496 0.743 0.457 CB 1.416 36 residues pruned to eliminate duplicates Z: 130 80.561 2.239 0.978 0.660 0.915 0.558 CB 1.509 130 residues pruned to eliminate duplicates Z: 10 11.732 2.049 0.426 0.357 0.889 0.556 CA 1.758 10 residues pruned to eliminate duplicates Z: 37 25.904 2.101 0.880 0.484 0.889 0.472 CB 1.250 37 residues pruned to eliminate duplicates Z: 53 38.817 2.175 0.854 0.567 0.904 0.519 CB 1.384 53 residues pruned to eliminate duplicates Z: 53 34.107 2.123 0.804 0.558 0.885 0.500 CB 1.319 53 residues pruned to eliminate duplicates Z: 18 17.572 1.937 0.727 0.446 0.882 0.529 CB 1.527 18 residues pruned to eliminate duplicates Z: 49 30.629 2.088 0.843 0.563 0.854 0.521 CB 1.266 49 residues pruned to eliminate duplicates Z: 126 67.174 2.203 0.872 0.617 0.896 0.536 CB 1.455 126 residues pruned to eliminate duplicates Z: 40 27.436 2.153 0.782 0.524 0.846 0.641 CB 1.322 40 residues pruned to eliminate duplicates Z: 130 73.811 2.236 0.882 0.650 0.899 0.550 CB 1.493 130 residues pruned to eliminate duplicates Z: 36 26.796 2.109 0.910 0.519 0.886 0.457 CB 1.245 36 residues pruned to eliminate duplicates Z: 19 16.441 1.897 0.831 0.429 0.944 0.444 CB 1.272 19 residues pruned to eliminate duplicates Z: 123 80.342 2.264 0.953 0.678 0.893 0.541 CB 1.563 123 residues pruned to eliminate duplicates Z: 123 80.668 2.228 0.881 0.669 0.943 0.582 CB 1.581 123 residues pruned to eliminate duplicates Z: 101 51.145 2.203 0.813 0.472 0.860 0.510 CB 1.532 110 residues pruned to eliminate duplicates Z: 9 9.949 1.768 0.514 0.739 0.875 0.625 CB 1.212 10 residues pruned to eliminate duplicates Z: 10 9.882 1.754 0.365 0.846 0.889 0.556 CB 1.151 10 residues pruned to eliminate duplicates Z: 66 39.232 2.192 0.680 0.472 0.892 0.538 CA 1.523 66 residues pruned to eliminate duplicates Z: 52 39.221 2.144 0.841 0.493 0.941 0.627 CB 1.489 52 residues pruned to eliminate duplicates Z: 16 15.161 2.026 0.558 0.507 1.000 0.400 CB 1.232 16 residues pruned to eliminate duplicates Z: 14 8.675 1.886 0.443 0.294 0.923 0.308 CB 1.207 15 residues pruned to eliminate duplicates Z: 6 5.542 1.508 0.639 0.608 0.800 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 6 5.006 1.698 0.272 0.557 1.000 0.400 CA 0.981 6 residues pruned to eliminate duplicates Z: 6 3.803 1.781 0.481 0.406 0.800 0.600 CB 0.890 6 residues pruned to eliminate duplicates Z: 22 16.829 1.933 0.540 0.544 0.810 0.429 CB 1.459 22 residues pruned to eliminate duplicates Z: 18 18.690 2.054 0.512 0.548 1.000 0.765 CA 1.393 19 residues pruned to eliminate duplicates Z: 6 2.740 1.668 0.416 0.124 0.800 0.200 C 1.039 Z: 40 23.381 1.907 0.606 0.477 1.000 0.641 CB 1.252 46 residues pruned to eliminate duplicates Z: 23 19.005 1.950 0.601 0.554 0.909 0.591 CB 1.355 21 residues pruned to eliminate duplicates Z: 10 14.688 2.050 0.257 0.802 1.000 0.889 CA 1.459 10 residues pruned to eliminate duplicates Z: 22 19.628 1.983 0.466 0.586 0.952 0.714 CB 1.424 23 residues pruned to eliminate duplicates Z: 11 13.579 1.896 0.426 0.862 0.900 0.800 CA 1.295 11 residues pruned to eliminate duplicates Z: 24 21.266 2.023 0.810 0.563 0.870 0.565 CB 1.310 24 residues pruned to eliminate duplicates Z: 38 22.920 1.945 0.714 0.440 0.946 0.595 CB 1.271 38 residues pruned to eliminate duplicates Z: 34 21.529 1.885 0.547 0.443 0.970 0.545 CA 1.406 34 residues pruned to eliminate duplicates Z: 38 19.290 1.896 0.643 0.429 0.892 0.432 CB 1.229 38 residues pruned to eliminate duplicates Z: 22 21.063 2.003 0.842 0.572 0.905 0.714 CB 1.285 22 residues pruned to eliminate duplicates Z: 40 23.079 1.938 0.724 0.489 0.923 0.487 CB 1.212 40 residues pruned to eliminate duplicates Z: 21 12.739 1.799 0.427 0.625 0.800 0.400 CB 1.233 21 residues pruned to eliminate duplicates Z: 134 68.152 2.177 0.938 0.656 0.857 0.459 CB 1.413 134 residues pruned to eliminate duplicates Z: 15 11.917 1.821 0.396 0.667 0.857 0.429 CB 1.254 15 residues pruned to eliminate duplicates Z: 10 11.667 1.907 0.415 0.700 0.889 0.333 CB 1.351 10 residues pruned to eliminate duplicates Z: 14 11.100 1.820 0.354 0.655 0.846 0.538 CB 1.278 14 residues pruned to eliminate duplicates Z: 11 12.862 1.896 0.455 0.793 0.900 0.700 CB 1.267 11 residues pruned to eliminate duplicates Z: 17 7.399 1.760 0.327 0.568 0.688 0.500 CB 1.079 17 residues pruned to eliminate duplicates Z: 16 9.925 1.787 0.415 0.588 0.800 0.533 CB 1.164 16 residues pruned to eliminate duplicates Z: 14 12.393 1.845 0.543 0.660 0.769 0.462 CB 1.353 14 residues pruned to eliminate duplicates Z: 9 10.428 1.915 0.534 0.758 0.875 0.750 CA 1.140 9 residues pruned to eliminate duplicates Z: 14 9.235 1.723 0.760 0.647 0.769 0.692 CA 0.958 14 residues pruned to eliminate duplicates Z: 10 8.045 1.797 0.239 0.754 0.889 0.778 CA 1.080 10 residues pruned to eliminate duplicates Z: 15 11.581 1.671 0.456 0.754 0.929 0.786 CB 1.092 12 residues pruned to eliminate duplicates Z: 12 16.384 1.756 0.632 0.908 1.000 1.000 CB 1.224 15 residues pruned to eliminate duplicates Z: 11 18.555 1.887 0.813 0.874 1.000 0.900 CA 1.248 11 residues pruned to eliminate duplicates Z: 27 16.441 1.827 0.650 0.487 0.885 0.462 CB 1.225 27 residues pruned to eliminate duplicates Z: 19 18.932 1.849 0.749 0.703 0.944 0.556 CB 1.214 19 residues pruned to eliminate duplicates Z: 54 27.053 1.930 0.669 0.523 0.868 0.509 CB 1.299 54 residues pruned to eliminate duplicates Z: 21 21.071 1.916 0.912 0.628 0.950 0.550 CB 1.200 21 residues pruned to eliminate duplicates Z: 28 20.743 1.806 0.814 0.561 0.963 0.593 CB 1.192 28 residues pruned to eliminate duplicates Z: 24 20.618 1.886 0.762 0.608 0.957 0.696 CB 1.221 24 residues pruned to eliminate duplicates Z: 34 23.685 1.871 0.671 0.667 0.939 0.576 CB 1.202 34 residues pruned to eliminate duplicates Z: 22 14.142 1.829 0.602 0.435 0.905 0.476 CB 1.245 22 residues pruned to eliminate duplicates Z: 25 15.037 1.883 0.513 0.533 0.875 0.500 CB 1.192 25 residues pruned to eliminate duplicates Z: 24 19.148 1.833 0.784 0.605 0.957 0.435 CB 1.155 24 residues pruned to eliminate duplicates Z: 36 19.499 1.818 0.608 0.559 0.857 0.543 CB 1.243 36 residues pruned to eliminate duplicates Z: 25 20.985 1.890 0.822 0.552 0.917 0.417 CB 1.291 26 residues pruned to eliminate duplicates Z: 10 14.982 1.825 0.495 0.780 1.000 0.778 CA 1.430 10 residues pruned to eliminate duplicates Z: 53 26.038 1.912 0.703 0.551 0.885 0.519 CB 1.193 53 residues pruned to eliminate duplicates Z: 32 19.125 1.907 0.613 0.540 0.871 0.484 CB 1.233 32 residues pruned to eliminate duplicates Z: 32 21.740 1.855 0.760 0.610 0.871 0.452 CB 1.237 32 residues pruned to eliminate duplicates Z: 22 16.874 1.785 0.667 0.568 0.952 0.619 CB 1.217 22 residues pruned to eliminate duplicates Z: 16 16.800 1.867 0.676 0.720 1.000 0.600 CB 1.136 16 residues pruned to eliminate duplicates Z: 38 25.095 1.880 0.774 0.671 0.919 0.541 CB 1.150 38 residues pruned to eliminate duplicates Z: 25 15.136 1.891 0.888 0.503 0.708 0.458 CB 1.219 25 residues pruned to eliminate duplicates Z: 31 22.633 1.916 0.819 0.478 0.900 0.433 CB 1.347 31 residues pruned to eliminate duplicates Z: 50 23.992 1.908 0.760 0.488 0.837 0.429 CB 1.234 50 residues pruned to eliminate duplicates Z: 20 14.321 2.005 0.742 0.404 0.842 0.368 CB 1.236 20 residues pruned to eliminate duplicates Z: 50 26.765 1.917 0.736 0.545 0.857 0.347 CB 1.283 50 residues pruned to eliminate duplicates Z: 19 15.246 2.041 0.684 0.349 0.833 0.389 CB 1.478 19 residues pruned to eliminate duplicates Z: 29 17.073 1.949 0.554 0.548 0.750 0.643 CB 1.356 29 residues pruned to eliminate duplicates Z: 20 13.299 1.973 0.601 0.385 0.789 0.526 CB 1.382 20 residues pruned to eliminate duplicates Z: 26 17.291 1.881 0.572 0.493 0.840 0.440 CB 1.402 26 residues pruned to eliminate duplicates Z: 21 13.913 1.868 0.742 0.424 0.800 0.600 CB 1.294 21 residues pruned to eliminate duplicates Z: 10 7.380 1.923 0.180 0.478 0.889 0.444 CB 1.247 10 residues pruned to eliminate duplicates Z: 12 6.453 1.894 0.390 0.406 0.818 0.182 CB 0.997 12 residues pruned to eliminate duplicates Z: 43 22.672 1.910 0.665 0.507 0.857 0.500 CB 1.274 43 residues pruned to eliminate duplicates Z: 25 21.471 1.954 0.795 0.583 0.833 0.583 CB 1.384 25 residues pruned to eliminate duplicates Z: 55 30.230 1.911 0.763 0.555 0.907 0.500 CB 1.275 55 residues pruned to eliminate duplicates Z: 7 6.358 1.920 1.101 0.456 0.833 0.500 CB 0.808 7 residues pruned to eliminate duplicates Z: 20 15.736 1.974 0.754 0.473 0.895 0.474 CB 1.198 20 residues pruned to eliminate duplicates Z: 71 36.230 2.077 0.700 0.456 0.929 0.571 CB 1.381 85 residues pruned to eliminate duplicates Z: 70 40.917 2.063 0.801 0.535 0.884 0.522 CB 1.449 70 residues pruned to eliminate duplicates Z: 68 36.344 2.088 0.656 0.474 0.940 0.552 CB 1.402 68 residues pruned to eliminate duplicates Z: 46 34.529 2.091 0.682 0.548 0.889 0.600 CB 1.571 46 residues pruned to eliminate duplicates Z: 26 26.278 2.205 0.729 0.501 0.920 0.520 CB 1.497 26 residues pruned to eliminate duplicates Z: 41 31.425 2.132 0.739 0.531 0.875 0.575 CB 1.485 41 residues pruned to eliminate duplicates Z: 65 25.804 1.992 0.455 0.446 0.922 0.547 CB 1.276 53 residues pruned to eliminate duplicates Z: 13 32.955 2.322 0.967 0.878 1.000 0.917 CA 1.512 13 residues pruned to eliminate duplicates Z: 18 22.036 2.237 0.909 0.535 0.765 0.647 CB 1.582 18 residues pruned to eliminate duplicates Z: 25 23.285 2.253 0.666 0.468 0.833 0.625 CA 1.570 25 residues pruned to eliminate duplicates Z: 66 38.818 2.115 0.645 0.561 0.892 0.600 CB 1.461 66 residues pruned to eliminate duplicates Z: 17 27.760 2.331 0.726 0.581 1.000 0.875 CA 1.595 17 residues pruned to eliminate duplicates Z: 22 21.197 2.270 0.693 0.540 0.762 0.714 CB 1.519 22 residues pruned to eliminate duplicates Z: 43 33.308 2.109 0.715 0.527 0.929 0.595 CB 1.490 43 residues pruned to eliminate duplicates Z: 23 30.321 2.316 0.607 0.581 0.955 0.773 CA 1.682 23 residues pruned to eliminate duplicates Z: 42 32.887 2.134 0.691 0.529 0.927 0.561 CB 1.493 42 residues pruned to eliminate duplicates Z: 45 35.191 2.062 0.737 0.558 0.932 0.614 CB 1.502 45 residues pruned to eliminate duplicates Z: 42 31.496 2.201 0.710 0.481 0.902 0.610 CB 1.477 42 residues pruned to eliminate duplicates Z: 25 29.169 2.273 0.880 0.522 0.833 0.625 CB 1.636 25 residues pruned to eliminate duplicates Z: 53 29.968 2.067 0.637 0.464 0.865 0.615 CB 1.473 53 residues pruned to eliminate duplicates Z: 40 36.090 2.171 0.766 0.592 0.872 0.641 CB 1.584 40 residues pruned to eliminate duplicates Z: 43 33.696 2.132 0.702 0.535 0.905 0.595 CB 1.530 43 residues pruned to eliminate duplicates Z: 44 37.220 2.107 0.692 0.556 0.977 0.721 CB 1.544 44 residues pruned to eliminate duplicates Z: 41 39.433 2.145 0.718 0.592 0.975 0.750 CB 1.588 41 residues pruned to eliminate duplicates Z: 41 34.485 2.117 0.700 0.579 0.900 0.725 CB 1.560 41 residues pruned to eliminate duplicates Z: 47 34.964 2.041 0.842 0.510 0.913 0.587 CA 1.486 47 residues pruned to eliminate duplicates Z: 47 33.613 2.092 0.711 0.528 0.891 0.587 CB 1.510 47 residues pruned to eliminate duplicates Z: 54 31.887 2.051 0.679 0.482 0.925 0.642 CB 1.400 54 residues pruned to eliminate duplicates Z: 55 32.948 2.069 0.593 0.488 0.981 0.648 CB 1.404 55 residues pruned to eliminate duplicates Z: 43 35.471 2.057 0.908 0.612 0.929 0.452 CB 1.351 43 residues pruned to eliminate duplicates Z: 18 17.660 1.908 0.665 0.587 0.941 0.471 CB 1.317 18 residues pruned to eliminate duplicates Z: 47 37.925 2.081 0.897 0.556 0.935 0.565 CB 1.436 64 residues pruned to eliminate duplicates Z: 12 22.667 1.971 0.727 0.881 1.000 0.364 CB 1.454 12 residues pruned to eliminate duplicates Z: 20 14.747 1.887 0.562 0.532 0.789 0.526 CB 1.408 20 residues pruned to eliminate duplicates Z: 55 30.250 2.046 0.708 0.426 0.944 0.519 CB 1.348 55 residues pruned to eliminate duplicates Z: 42 39.491 2.110 0.964 0.587 0.927 0.707 CB 1.477 42 residues pruned to eliminate duplicates Z: 39 23.826 1.931 0.738 0.472 0.947 0.605 CB 1.251 34 residues pruned to eliminate duplicates Z: 6 6.389 1.681 0.541 0.658 1.000 0.800 CB 0.953 6 residues pruned to eliminate duplicates Z: 24 14.979 1.966 0.322 0.395 0.957 0.435 CB 1.404 24 residues pruned to eliminate duplicates Z: 28 13.671 1.910 0.402 0.348 0.815 0.444 CB 1.421 28 residues pruned to eliminate duplicates Z: 16 7.554 1.810 0.357 0.185 0.933 0.467 CB 1.243 16 residues pruned to eliminate duplicates Z: 14 9.138 1.873 0.459 0.268 1.000 0.538 CB 1.207 14 residues pruned to eliminate duplicates Z: 19 11.208 1.839 0.528 0.270 0.889 0.444 CB 1.373 19 residues pruned to eliminate duplicates Z: 114 70.878 2.238 0.799 0.597 0.929 0.646 CB 1.624 114 residues pruned to eliminate duplicates Z: 38 20.439 1.927 0.603 0.440 0.892 0.595 CB 1.298 38 residues pruned to eliminate duplicates Z: 17 9.845 1.808 0.431 0.358 0.875 0.688 CB 1.266 17 residues pruned to eliminate duplicates Z: 15 12.085 1.809 0.549 0.422 0.929 0.786 CB 1.346 15 residues pruned to eliminate duplicates Z: 29 14.428 1.817 0.493 0.378 0.893 0.464 CB 1.281 29 residues pruned to eliminate duplicates Z: 49 22.464 1.891 0.653 0.487 0.854 0.542 CB 1.231 49 residues pruned to eliminate duplicates Z: 12 11.038 1.916 0.388 0.557 0.818 0.364 CB 1.448 12 residues pruned to eliminate duplicates Z: 13 10.790 2.025 0.200 0.553 0.833 0.667 CB 1.460 13 residues pruned to eliminate duplicates Z: 23 16.355 2.005 0.391 0.378 0.955 0.636 CB 1.492 23 residues pruned to eliminate duplicates Z: 25 16.610 1.906 0.520 0.376 0.958 0.542 CB 1.394 25 residues pruned to eliminate duplicates Z: 25 16.208 1.905 0.548 0.396 0.917 0.708 CB 1.366 25 residues pruned to eliminate duplicates Z: 46 28.677 1.974 0.685 0.490 0.933 0.644 CB 1.391 46 residues pruned to eliminate duplicates Z: 29 15.800 1.894 0.560 0.396 0.821 0.714 CB 1.373 29 residues pruned to eliminate duplicates Z: 41 19.943 1.901 0.550 0.475 0.850 0.475 CB 1.292 41 residues pruned to eliminate duplicates Z: 11 12.776 1.788 0.458 0.687 1.000 0.700 CB 1.305 11 residues pruned to eliminate duplicates Z: 7 5.432 1.566 0.629 0.414 0.833 0.333 N 1.142 7 residues pruned to eliminate duplicates Z: 28 13.366 1.722 0.585 0.409 0.926 0.481 CB 1.120 28 residues pruned to eliminate duplicates Z: 25 17.005 1.796 0.671 0.658 0.917 0.625 CB 1.089 25 residues pruned to eliminate duplicates Z: 31 15.622 1.663 0.719 0.427 0.900 0.500 CB 1.196 31 residues pruned to eliminate duplicates Z: 12 8.487 1.750 0.449 0.373 0.909 0.364 CB 1.271 12 residues pruned to eliminate duplicates Z: 18 8.349 1.723 0.426 0.426 0.824 0.471 CB 1.081 10 residues pruned to eliminate duplicates Z: 6 10.920 1.815 0.669 0.831 0.800 0.000 CB 1.514 6 residues pruned to eliminate duplicates Z: 21 20.031 1.845 0.712 0.690 0.950 0.500 CB 1.255 21 residues pruned to eliminate duplicates Z: 29 15.309 1.739 0.640 0.571 0.786 0.321 CB 1.205 36 residues pruned to eliminate duplicates Z: 16 21.573 1.878 0.636 0.925 1.000 0.467 CB 1.273 16 residues pruned to eliminate duplicates Z: 16 19.484 1.808 0.932 0.847 0.867 0.533 CB 1.234 16 residues pruned to eliminate duplicates Z: 24 21.817 1.826 0.728 0.663 0.957 0.478 CB 1.296 24 residues pruned to eliminate duplicates Z: 17 19.495 1.805 0.691 0.875 0.938 0.500 CB 1.239 17 residues pruned to eliminate duplicates Z: 21 23.201 1.884 0.772 0.725 1.000 0.500 CB 1.269 21 residues pruned to eliminate duplicates Z: 23 14.802 1.785 0.633 0.643 0.864 0.273 CB 1.097 23 residues pruned to eliminate duplicates Z: 22 20.708 1.820 0.939 0.676 0.905 0.333 CB 1.204 22 residues pruned to eliminate duplicates Z: 16 17.482 1.773 0.992 0.749 0.867 0.600 CB 1.181 16 residues pruned to eliminate duplicates Z: 73 28.145 1.819 0.487 0.625 0.875 0.625 CB 1.245 148 residues pruned to eliminate duplicates Z: 14 9.023 1.548 0.246 0.730 0.923 0.462 CB 1.143 Z: 8 8.158 1.688 0.291 0.856 1.000 0.571 CB 1.043 8 residues pruned to eliminate duplicates Z: 13 9.728 1.627 0.375 0.810 0.917 0.333 CB 1.046 13 residues pruned to eliminate duplicates Z: 9 14.309 1.635 0.812 0.876 1.000 0.875 CB 1.241 10 residues pruned to eliminate duplicates Z: 8 10.585 1.680 0.496 0.894 1.000 1.000 CB 1.142 8 residues pruned to eliminate duplicates Z: 12 12.005 1.612 0.587 0.839 1.000 0.818 CB 1.057 12 residues pruned to eliminate duplicates Z: 7 5.152 1.592 0.526 0.531 0.833 0.500 CA 1.008 7 residues pruned to eliminate duplicates Z: 8 3.724 1.839 0.674 0.245 0.714 0.143 CB 0.860 8 residues pruned to eliminate duplicates Z: 51 39.835 2.120 0.633 0.674 0.880 0.700 CB 1.575 51 residues pruned to eliminate duplicates Z: 32 24.626 2.108 0.685 0.537 0.839 0.613 CB 1.432 32 residues pruned to eliminate duplicates Z: 130 77.051 2.252 0.849 0.645 0.876 0.636 CB 1.624 130 residues pruned to eliminate duplicates Z: 130 79.430 2.257 0.793 0.655 0.915 0.690 CB 1.636 130 residues pruned to eliminate duplicates Z: 132 71.442 2.240 0.736 0.634 0.885 0.656 CB 1.600 132 residues pruned to eliminate duplicates Z: 34 33.679 2.134 0.820 0.650 0.848 0.606 CB 1.547 34 residues pruned to eliminate duplicates Z: 131 78.424 2.256 0.789 0.649 0.900 0.646 CB 1.648 131 residues pruned to eliminate duplicates Z: 26 32.604 2.130 0.805 0.661 0.920 0.640 CB 1.588 26 residues pruned to eliminate duplicates Z: 33 27.599 2.062 0.948 0.544 0.875 0.562 CB 1.329 39 residues pruned to eliminate duplicates Z: 131 75.898 2.240 0.885 0.630 0.885 0.623 CA 1.577 131 residues pruned to eliminate duplicates Z: 56 42.531 2.094 0.857 0.641 0.873 0.636 CA 1.481 68 residues pruned to eliminate duplicates Z: 54 43.036 2.146 0.874 0.656 0.868 0.698 CB 1.465 54 residues pruned to eliminate duplicates Z: 130 80.275 2.261 0.831 0.660 0.899 0.636 CB 1.637 130 residues pruned to eliminate duplicates Z: 53 50.097 2.172 0.811 0.681 0.942 0.635 CB 1.587 53 residues pruned to eliminate duplicates Z: 19 32.476 2.153 0.911 0.863 0.889 0.556 CA 1.535 19 residues pruned to eliminate duplicates Z: 56 44.085 2.120 0.837 0.667 0.927 0.655 CA 1.411 56 residues pruned to eliminate duplicates Z: 51 50.563 2.200 0.868 0.709 0.900 0.700 CA 1.600 51 residues pruned to eliminate duplicates Z: 199 84.209 2.221 0.764 0.568 0.899 0.601 CB 1.591 199 residues pruned to eliminate duplicates Z: 131 72.606 2.233 0.799 0.633 0.869 0.646 CA 1.610 131 residues pruned to eliminate duplicates Z: 135 77.720 2.251 0.848 0.625 0.896 0.642 CA 1.602 135 residues pruned to eliminate duplicates Z: 35 37.617 2.122 0.896 0.630 0.941 0.618 CA 1.508 35 residues pruned to eliminate duplicates Z: 135 76.769 2.230 0.861 0.622 0.910 0.590 CB 1.565 135 residues pruned to eliminate duplicates Z: 67 62.496 2.204 0.802 0.742 0.970 0.727 CB 1.607 67 residues pruned to eliminate duplicates Z: 97 62.438 2.182 0.791 0.658 0.927 0.688 CA 1.518 102 residues pruned to eliminate duplicates Z: 14 22.257 1.838 0.877 0.784 1.000 0.923 CA 1.394 14 residues pruned to eliminate duplicates Z: 101 72.738 2.220 0.817 0.680 0.960 0.660 CB 1.591 101 residues pruned to eliminate duplicates Z: 38 34.070 2.029 0.843 0.647 0.892 0.595 CB 1.464 38 residues pruned to eliminate duplicates Z: 163 78.209 2.253 0.756 0.584 0.895 0.642 CA 1.601 163 residues pruned to eliminate duplicates Z: 50 52.985 2.184 0.887 0.725 0.959 0.735 CA 1.563 50 residues pruned to eliminate duplicates Z: 42 44.801 2.133 0.862 0.756 0.927 0.561 CA 1.513 42 residues pruned to eliminate duplicates Z: 51 45.816 2.141 0.814 0.705 0.920 0.620 CB 1.505 51 residues pruned to eliminate duplicates Z: 51 49.512 2.142 0.897 0.696 0.940 0.600 CB 1.533 51 residues pruned to eliminate duplicates Z: 130 83.634 2.268 0.870 0.654 0.915 0.628 CB 1.646 130 residues pruned to eliminate duplicates Z: 128 76.904 2.234 0.861 0.602 0.929 0.606 CB 1.603 128 residues pruned to eliminate duplicates Z: 189 92.942 2.254 0.850 0.586 0.926 0.606 CA 1.618 189 residues pruned to eliminate duplicates Z: 121 75.742 2.215 0.848 0.663 0.933 0.708 CB 1.556 121 residues pruned to eliminate duplicates Z: 106 74.892 2.266 0.907 0.650 0.914 0.667 CA 1.609 106 residues pruned to eliminate duplicates Z: 154 75.547 2.202 0.818 0.583 0.889 0.582 CB 1.585 154 residues pruned to eliminate duplicates Z: 115 76.127 2.229 0.877 0.680 0.912 0.702 CB 1.583 115 residues pruned to eliminate duplicates Z: 126 76.070 2.238 0.807 0.638 0.912 0.656 CB 1.621 126 residues pruned to eliminate duplicates Z: 51 51.228 2.173 0.886 0.723 0.940 0.660 CB 1.537 51 residues pruned to eliminate duplicates Z: 57 49.994 2.143 0.913 0.673 0.893 0.554 CB 1.555 57 residues pruned to eliminate duplicates Z: 56 42.942 2.151 0.860 0.632 0.855 0.600 CB 1.497 56 residues pruned to eliminate duplicates Z: 101 68.755 2.227 0.764 0.678 0.920 0.670 CB 1.615 101 residues pruned to eliminate duplicates Z: 92 76.341 2.283 0.862 0.685 0.967 0.681 CB 1.642 92 residues pruned to eliminate duplicates Z: 101 74.744 2.227 0.850 0.686 0.940 0.720 CA 1.626 101 residues pruned to eliminate duplicates Z: 101 69.766 2.189 0.824 0.673 0.920 0.660 CA 1.618 101 residues pruned to eliminate duplicates Z: 131 79.914 2.256 0.859 0.648 0.900 0.677 CB 1.617 131 residues pruned to eliminate duplicates Z: 152 79.602 2.255 0.784 0.621 0.907 0.629 CA 1.583 152 residues pruned to eliminate duplicates Z: 101 65.650 2.225 0.876 0.640 0.880 0.640 CB 1.568 101 residues pruned to eliminate duplicates Z: 109 72.753 2.241 0.908 0.657 0.889 0.676 CB 1.593 109 residues pruned to eliminate duplicates Z: 132 84.092 2.262 0.885 0.637 0.916 0.634 CB 1.655 132 residues pruned to eliminate duplicates Z: 131 87.318 2.274 0.916 0.656 0.915 0.631 CA 1.662 131 residues pruned to eliminate duplicates Z: 132 75.210 2.300 0.777 0.561 0.931 0.618 CA 1.627 132 residues pruned to eliminate duplicates Z: 93 70.332 2.304 0.922 0.635 0.891 0.609 CB 1.636 93 residues pruned to eliminate duplicates Z: 45 44.372 2.238 0.729 0.672 0.932 0.727 CA 1.583 45 residues pruned to eliminate duplicates Z: 132 84.438 2.266 0.951 0.635 0.916 0.611 CB 1.605 132 residues pruned to eliminate duplicates Z: 135 78.036 2.249 0.855 0.633 0.896 0.627 CA 1.592 135 residues pruned to eliminate duplicates Z: 111 76.069 2.260 0.872 0.642 0.909 0.636 CB 1.651 111 residues pruned to eliminate duplicates Z: 69 56.005 2.188 0.874 0.707 0.882 0.603 CA 1.555 69 residues pruned to eliminate duplicates Z: 89 65.617 2.190 1.005 0.666 0.898 0.591 CB 1.522 89 residues pruned to eliminate duplicates Z: 129 84.528 2.278 0.860 0.649 0.922 0.641 CB 1.665 129 residues pruned to eliminate duplicates Z: 43 52.233 2.279 0.991 0.710 0.929 0.524 CA 1.581 43 residues pruned to eliminate duplicates Z: 131 78.186 2.246 0.823 0.648 0.900 0.662 CA 1.622 131 residues pruned to eliminate duplicates Z: 128 79.003 2.259 0.892 0.636 0.882 0.583 CA 1.637 128 residues pruned to eliminate duplicates Z: 133 81.724 2.228 0.958 0.603 0.917 0.583 CB 1.613 133 residues pruned to eliminate duplicates Z: 133 81.441 2.248 0.860 0.644 0.932 0.674 CB 1.591 139 residues pruned to eliminate duplicates Z: 195 86.361 2.228 0.780 0.591 0.912 0.593 CB 1.571 195 residues pruned to eliminate duplicates Z: 87 56.268 2.224 0.936 0.568 0.826 0.593 CB 1.598 87 residues pruned to eliminate duplicates Z: 108 74.006 2.198 0.968 0.653 0.916 0.617 CB 1.567 108 residues pruned to eliminate duplicates Z: 110 78.834 2.275 0.893 0.648 0.936 0.606 CB 1.632 110 residues pruned to eliminate duplicates Z: 42 51.068 2.224 1.007 0.677 0.951 0.610 CA 1.596 42 residues pruned to eliminate duplicates Z: 98 74.665 2.214 0.922 0.691 0.928 0.680 CB 1.613 98 residues pruned to eliminate duplicates Z: 131 86.034 2.265 0.937 0.641 0.923 0.608 CB 1.632 131 residues pruned to eliminate duplicates Z: 132 86.264 2.267 0.956 0.633 0.924 0.618 CB 1.624 132 residues pruned to eliminate duplicates Z: 125 76.710 2.242 0.846 0.646 0.895 0.573 CB 1.623 125 residues pruned to eliminate duplicates Z: 109 81.115 2.269 0.871 0.711 0.935 0.685 CB 1.623 109 residues pruned to eliminate duplicates Z: 80 60.107 2.248 0.802 0.606 0.911 0.658 CB 1.656 80 residues pruned to eliminate duplicates Z: 125 83.867 2.275 0.841 0.670 0.919 0.677 CA 1.671 125 residues pruned to eliminate duplicates Z: 68 57.277 2.266 0.876 0.646 0.910 0.627 CB 1.578 68 residues pruned to eliminate duplicates Z: 155 83.244 2.255 0.893 0.575 0.896 0.578 CA 1.630 161 residues pruned to eliminate duplicates Z: 15 26.472 2.084 0.999 0.801 0.857 0.643 CA 1.523 15 residues pruned to eliminate duplicates Z: 132 88.827 2.256 0.962 0.649 0.931 0.702 CB 1.638 132 residues pruned to eliminate duplicates Z: 131 86.244 2.249 0.909 0.654 0.923 0.623 CB 1.653 131 residues pruned to eliminate duplicates Z: 112 73.584 2.242 0.829 0.639 0.919 0.658 CB 1.628 112 residues pruned to eliminate duplicates Z: 134 78.173 2.249 0.843 0.629 0.895 0.602 CB 1.619 134 residues pruned to eliminate duplicates Z: 135 81.775 2.238 0.884 0.617 0.925 0.612 CB 1.621 135 residues pruned to eliminate duplicates Z: 43 41.081 2.284 0.853 0.502 0.881 0.548 CB 1.697 43 residues pruned to eliminate duplicates Z: 96 59.393 2.285 0.853 0.484 0.874 0.547 CB 1.673 98 residues pruned to eliminate duplicates Z: 7 10.578 1.781 1.191 0.477 1.000 0.667 CA 1.132 7 residues pruned to eliminate duplicates Z: 130 87.136 2.264 1.004 0.637 0.907 0.605 CB 1.640 130 residues pruned to eliminate duplicates Z: 105 77.122 2.279 0.959 0.648 0.904 0.635 CB 1.632 105 residues pruned to eliminate duplicates Z: 57 47.321 2.215 0.936 0.518 0.911 0.482 CB 1.590 57 residues pruned to eliminate duplicates Z: 98 73.487 2.298 0.905 0.624 0.907 0.577 CB 1.672 98 residues pruned to eliminate duplicates Z: 186 90.280 2.257 0.827 0.594 0.908 0.616 CB 1.621 186 residues pruned to eliminate duplicates Z: 81 66.132 2.295 0.939 0.597 0.913 0.588 CB 1.660 81 residues pruned to eliminate duplicates Z: 131 81.959 2.249 0.878 0.628 0.931 0.623 CB 1.621 131 residues pruned to eliminate duplicates Z: 84 60.919 2.300 0.887 0.516 0.928 0.554 CB 1.634 85 residues pruned to eliminate duplicates Z: 12 29.562 2.199 1.084 0.864 1.000 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 125 83.076 2.261 0.917 0.644 0.935 0.669 CB 1.609 125 residues pruned to eliminate duplicates Z: 78 64.237 2.318 0.874 0.620 0.922 0.610 CB 1.633 78 residues pruned to eliminate duplicates Z: 40 45.273 2.381 1.025 0.499 0.872 0.538 CB 1.727 40 residues pruned to eliminate duplicates Z: 98 72.153 2.292 0.952 0.606 0.897 0.598 CB 1.650 98 residues pruned to eliminate duplicates Z: 53 51.599 2.344 1.056 0.571 0.846 0.442 CB 1.639 53 residues pruned to eliminate duplicates Z: 31 41.190 2.378 1.094 0.567 0.833 0.567 CA 1.698 31 residues pruned to eliminate duplicates Z: 31 38.998 2.349 1.073 0.559 0.833 0.500 CA 1.656 31 residues pruned to eliminate duplicates Z: 21 19.107 2.258 0.685 0.345 0.800 0.400 CA 1.661 21 residues pruned to eliminate duplicates Z: 32 41.204 2.259 1.111 0.577 0.903 0.516 CB 1.596 32 residues pruned to eliminate duplicates Z: 130 82.132 2.267 0.929 0.658 0.884 0.698 CA 1.615 130 residues pruned to eliminate duplicates Z: 129 72.322 2.214 0.926 0.607 0.891 0.508 CB 1.522 129 residues pruned to eliminate duplicates Z: 30 28.233 2.122 0.840 0.491 0.897 0.448 CB 1.511 30 residues pruned to eliminate duplicates Z: 186 90.093 2.248 0.938 0.587 0.881 0.508 CB 1.588 186 residues pruned to eliminate duplicates Z: 84 49.239 2.211 0.786 0.512 0.880 0.542 CB 1.538 84 residues pruned to eliminate duplicates Z: 40 31.092 2.247 0.922 0.453 0.769 0.410 CB 1.573 40 residues pruned to eliminate duplicates Z: 81 67.931 2.282 1.007 0.621 0.900 0.575 CB 1.643 81 residues pruned to eliminate duplicates Z: 105 77.532 2.280 0.929 0.647 0.913 0.625 CB 1.650 105 residues pruned to eliminate duplicates Z: 33 34.272 2.290 0.905 0.559 0.781 0.656 CB 1.679 33 residues pruned to eliminate duplicates Z: 135 85.263 2.250 0.927 0.644 0.925 0.597 CB 1.605 135 residues pruned to eliminate duplicates Z: 126 76.603 2.218 0.954 0.619 0.912 0.552 CB 1.550 126 residues pruned to eliminate duplicates Z: 21 25.098 2.269 0.907 0.476 0.850 0.550 CA 1.564 21 residues pruned to eliminate duplicates Z: 29 22.671 2.067 0.800 0.368 0.857 0.500 CA 1.548 29 residues pruned to eliminate duplicates Z: 17 25.929 2.268 0.818 0.435 0.938 0.500 CA 1.794 17 residues pruned to eliminate duplicates Z: 131 89.765 2.270 0.980 0.657 0.923 0.623 CB 1.639 131 residues pruned to eliminate duplicates Z: 43 60.694 2.294 0.984 0.704 0.952 0.643 CA 1.795 43 residues pruned to eliminate duplicates Z: 156 92.169 2.273 0.854 0.635 0.935 0.632 CA 1.654 156 residues pruned to eliminate duplicates Z: 67 50.501 2.200 0.844 0.562 0.864 0.606 CA 1.671 67 residues pruned to eliminate duplicates Z: 134 84.670 2.282 0.902 0.636 0.887 0.654 CA 1.678 134 residues pruned to eliminate duplicates Z: 116 83.911 2.286 0.939 0.673 0.896 0.530 CA 1.681 116 residues pruned to eliminate duplicates Z: 134 86.050 2.292 0.870 0.641 0.917 0.624 CA 1.664 134 residues pruned to eliminate duplicates Z: 154 84.102 2.267 0.847 0.620 0.889 0.627 CA 1.631 154 residues pruned to eliminate duplicates Z: 134 89.911 2.290 0.893 0.648 0.932 0.571 CA 1.680 134 residues pruned to eliminate duplicates Z: 67 72.472 2.348 0.873 0.738 0.924 0.712 CA 1.773 67 residues pruned to eliminate duplicates Z: 105 75.905 2.318 0.884 0.650 0.923 0.673 CA 1.605 105 residues pruned to eliminate duplicates Z: 132 86.834 2.305 0.865 0.634 0.924 0.634 CA 1.686 132 residues pruned to eliminate duplicates Z: 92 80.979 2.349 0.902 0.698 0.934 0.681 CA 1.698 92 residues pruned to eliminate duplicates Z: 101 78.443 2.347 0.877 0.682 0.900 0.690 CA 1.674 101 residues pruned to eliminate duplicates Z: 102 85.239 2.321 0.889 0.685 0.950 0.653 CA 1.717 102 residues pruned to eliminate duplicates Z: 72 74.056 2.319 0.975 0.703 0.901 0.620 CB 1.768 72 residues pruned to eliminate duplicates Z: 131 87.584 2.320 0.888 0.656 0.915 0.623 CA 1.658 131 residues pruned to eliminate duplicates Z: 72 71.193 2.345 0.926 0.678 0.901 0.648 CB 1.762 72 residues pruned to eliminate duplicates Z: 132 90.700 2.309 0.945 0.654 0.901 0.595 CA 1.698 132 residues pruned to eliminate duplicates Z: 131 86.356 2.309 0.859 0.658 0.923 0.631 CA 1.650 131 residues pruned to eliminate duplicates Z: 129 89.375 2.329 0.866 0.668 0.938 0.602 CA 1.660 129 residues pruned to eliminate duplicates Z: 130 91.057 2.318 0.909 0.665 0.915 0.628 CA 1.700 130 residues pruned to eliminate duplicates Z: 128 92.005 2.309 0.944 0.648 0.929 0.575 CA 1.706 128 residues pruned to eliminate duplicates Z: 75 67.556 2.250 0.852 0.678 0.932 0.595 CB 1.716 75 residues pruned to eliminate duplicates Z: 134 89.938 2.300 0.994 0.648 0.895 0.624 CA 1.656 134 residues pruned to eliminate duplicates Z: 123 79.939 2.280 0.822 0.665 0.893 0.639 CA 1.673 123 residues pruned to eliminate duplicates Z: 135 83.142 2.279 0.904 0.632 0.888 0.627 CA 1.646 135 residues pruned to eliminate duplicates Z: 132 89.343 2.323 0.867 0.656 0.924 0.618 CA 1.686 132 residues pruned to eliminate duplicates Z: 126 92.418 2.342 0.954 0.665 0.896 0.592 CB 1.730 126 residues pruned to eliminate duplicates Z: 102 79.621 2.318 0.806 0.688 0.921 0.683 CA 1.729 102 residues pruned to eliminate duplicates Z: 132 91.965 2.309 0.926 0.660 0.931 0.649 CA 1.673 132 residues pruned to eliminate duplicates Z: 113 87.043 2.324 0.928 0.695 0.911 0.696 CA 1.685 113 residues pruned to eliminate duplicates Z: 183 97.660 2.282 0.827 0.618 0.940 0.599 CA 1.653 183 residues pruned to eliminate duplicates Z: 124 78.985 2.270 0.883 0.632 0.911 0.618 CA 1.617 124 residues pruned to eliminate duplicates Z: 67 74.990 2.372 0.872 0.708 0.955 0.697 CA 1.803 67 residues pruned to eliminate duplicates Z: 131 83.604 2.303 0.827 0.649 0.915 0.585 CA 1.658 131 residues pruned to eliminate duplicates Z: 131 90.730 2.320 0.925 0.658 0.938 0.615 CA 1.640 131 residues pruned to eliminate duplicates Z: 71 71.954 2.318 0.940 0.692 0.929 0.686 CA 1.728 71 residues pruned to eliminate duplicates Z: 133 88.589 2.305 0.953 0.643 0.909 0.644 CA 1.648 133 residues pruned to eliminate duplicates Z: 52 66.359 2.317 1.061 0.701 0.922 0.647 CA 1.758 52 residues pruned to eliminate duplicates Z: 115 89.758 2.308 1.003 0.678 0.904 0.605 CB 1.708 115 residues pruned to eliminate duplicates Z: 152 90.058 2.316 0.856 0.629 0.907 0.649 CA 1.664 45 residues pruned to eliminate duplicates Z: 13 31.949 2.349 0.976 0.937 1.000 0.667 CA 1.384 13 residues pruned to eliminate duplicates Z: 85 70.780 2.259 0.902 0.662 0.893 0.536 CB 1.732 61 residues pruned to eliminate duplicates Z: 15 37.183 2.335 0.943 0.919 1.000 0.786 CB 1.544 15 residues pruned to eliminate duplicates Z: 133 88.593 2.321 0.909 0.635 0.909 0.614 CA 1.687 133 residues pruned to eliminate duplicates Z: 13 37.657 2.392 1.144 0.919 1.000 0.750 CA 1.494 13 residues pruned to eliminate duplicates Z: 135 94.042 2.312 0.981 0.648 0.910 0.590 CA 1.697 135 residues pruned to eliminate duplicates Z: 70 73.753 2.330 0.988 0.695 0.899 0.609 CA 1.785 70 residues pruned to eliminate duplicates Z: 137 85.493 2.272 0.976 0.598 0.890 0.500 CB 1.671 137 residues pruned to eliminate duplicates Z: 109 91.576 2.340 1.034 0.652 0.926 0.620 CA 1.735 109 residues pruned to eliminate duplicates Z: 110 80.945 2.335 0.929 0.632 0.890 0.661 CA 1.709 110 residues pruned to eliminate duplicates Z: 128 93.615 2.338 1.008 0.638 0.913 0.567 CA 1.702 129 residues pruned to eliminate duplicates Z: 22 33.342 2.301 0.700 0.800 1.000 0.810 CA 1.430 22 residues pruned to eliminate duplicates Z: 90 75.292 2.314 0.927 0.675 0.910 0.551 CA 1.673 70 residues pruned to eliminate duplicates Z: 23 29.819 2.182 0.876 0.760 0.864 0.636 CA 1.428 23 residues pruned to eliminate duplicates Z: 129 91.430 2.334 0.948 0.662 0.906 0.617 CA 1.689 129 residues pruned to eliminate duplicates Z: 73 69.385 2.282 1.002 0.666 0.917 0.597 CA 1.674 73 residues pruned to eliminate duplicates Z: 98 78.014 2.309 0.933 0.668 0.907 0.660 CA 1.675 98 residues pruned to eliminate duplicates Z: 19 25.968 2.142 0.761 0.714 0.944 0.833 CA 1.414 19 residues pruned to eliminate duplicates Z: 132 88.703 2.313 0.915 0.642 0.908 0.580 CA 1.687 132 residues pruned to eliminate duplicates Z: 130 89.866 2.307 0.952 0.655 0.922 0.597 CA 1.649 130 residues pruned to eliminate duplicates Z: 21 29.679 2.161 0.752 0.647 0.900 0.700 CA 1.698 21 residues pruned to eliminate duplicates Z: 122 87.039 2.318 0.994 0.662 0.893 0.612 CB 1.651 122 residues pruned to eliminate duplicates Z: 136 95.564 2.300 1.038 0.638 0.933 0.600 CA 1.652 136 residues pruned to eliminate duplicates Z: 100 90.251 2.343 0.998 0.706 0.949 0.677 CA 1.693 100 residues pruned to eliminate duplicates Z: 132 95.004 2.333 1.050 0.643 0.885 0.611 CA 1.716 132 residues pruned to eliminate duplicates Z: 133 91.496 2.305 0.972 0.644 0.924 0.629 CA 1.658 133 residues pruned to eliminate duplicates Z: 134 90.802 2.290 0.955 0.641 0.917 0.586 CB 1.680 134 residues pruned to eliminate duplicates Z: 140 94.053 2.303 1.046 0.618 0.906 0.583 CA 1.671 140 residues pruned to eliminate duplicates Z: 100 93.575 2.332 1.074 0.706 0.960 0.626 CA 1.681 100 residues pruned to eliminate duplicates Z: 194 106.128 2.300 0.895 0.632 0.912 0.611 CB 1.698 304 residues pruned to eliminate duplicates Z: 10 13.845 1.707 0.972 0.661 1.000 0.889 CA 1.181 10 residues pruned to eliminate duplicates Z: 109 71.640 2.312 0.813 0.614 0.880 0.602 CA 1.678 109 residues pruned to eliminate duplicates Z: 131 88.847 2.316 1.006 0.630 0.892 0.608 CA 1.664 131 residues pruned to eliminate duplicates Z: 114 89.997 2.312 1.023 0.684 0.912 0.637 CA 1.677 114 residues pruned to eliminate duplicates Z: 145 90.209 2.301 0.944 0.622 0.910 0.562 CA 1.647 145 residues pruned to eliminate duplicates Z: 50 45.406 2.285 0.943 0.577 0.857 0.633 CB 1.583 50 residues pruned to eliminate duplicates Z: 54 43.179 2.257 0.848 0.568 0.868 0.491 CB 1.533 54 residues pruned to eliminate duplicates Z: 130 90.645 2.295 0.948 0.639 0.922 0.589 CB 1.699 130 residues pruned to eliminate duplicates Z: 109 83.054 2.299 0.924 0.653 0.917 0.593 CA 1.709 109 residues pruned to eliminate duplicates Z: 118 87.116 2.295 0.938 0.668 0.923 0.624 CA 1.679 35 residues pruned to eliminate duplicates Z: 15 29.902 2.231 0.960 0.780 0.929 0.643 CB 1.538 15 residues pruned to eliminate duplicates Z: 131 89.601 2.291 1.035 0.630 0.885 0.569 CA 1.686 131 residues pruned to eliminate duplicates Z: 36 46.175 2.328 1.000 0.653 0.943 0.686 CB 1.543 36 residues pruned to eliminate duplicates Z: 130 96.331 2.324 1.021 0.656 0.907 0.550 CA 1.723 130 residues pruned to eliminate duplicates Z: 135 93.154 2.305 1.028 0.622 0.910 0.619 CA 1.685 135 residues pruned to eliminate duplicates Z: 109 74.453 2.308 0.928 0.648 0.852 0.667 CA 1.647 109 residues pruned to eliminate duplicates Z: 50 45.434 2.259 1.008 0.549 0.898 0.531 CB 1.519 50 residues pruned to eliminate duplicates Z: 133 89.496 2.287 0.990 0.622 0.909 0.636 CB 1.679 133 residues pruned to eliminate duplicates Z: 115 91.121 2.309 0.944 0.664 0.956 0.658 CA 1.708 115 residues pruned to eliminate duplicates Z: 153 95.275 2.284 0.943 0.647 0.914 0.592 CA 1.660 153 residues pruned to eliminate duplicates Z: 91 72.524 2.326 1.007 0.618 0.889 0.556 CA 1.648 91 residues pruned to eliminate duplicates Z: 129 90.724 2.307 0.964 0.655 0.914 0.578 CA 1.676 129 residues pruned to eliminate duplicates Z: 138 90.503 2.257 1.046 0.614 0.912 0.533 CA 1.648 138 residues pruned to eliminate duplicates Z: 56 44.285 2.242 0.864 0.530 0.873 0.400 CB 1.590 56 residues pruned to eliminate duplicates Z: 54 52.257 2.251 1.039 0.570 0.925 0.585 CA 1.581 54 residues pruned to eliminate duplicates Z: 119 94.663 2.323 1.016 0.669 0.932 0.500 CB 1.707 119 residues pruned to eliminate duplicates Z: 53 47.708 2.281 0.988 0.564 0.885 0.481 CB 1.550 53 residues pruned to eliminate duplicates Z: 132 99.689 2.300 1.003 0.666 0.947 0.550 CA 1.713 132 residues pruned to eliminate duplicates Z: 132 84.037 2.260 1.065 0.591 0.878 0.458 CB 1.643 132 residues pruned to eliminate duplicates Z: 113 90.710 2.311 1.051 0.669 0.929 0.580 CA 1.666 113 residues pruned to eliminate duplicates Z: 54 49.941 2.274 1.018 0.566 0.906 0.453 CB 1.548 54 residues pruned to eliminate duplicates Z: 131 93.155 2.307 1.063 0.637 0.900 0.508 CB 1.678 131 residues pruned to eliminate duplicates Z: 133 87.179 2.289 0.941 0.649 0.886 0.568 CA 1.677 133 residues pruned to eliminate duplicates Z: 52 45.149 2.243 0.962 0.554 0.882 0.373 CB 1.545 52 residues pruned to eliminate duplicates Z: 9 20.014 1.979 1.138 0.679 1.000 0.750 N 1.417 9 residues pruned to eliminate duplicates Z: 40 37.516 2.177 1.070 0.482 0.872 0.436 CA 1.556 40 residues pruned to eliminate duplicates Z: 132 93.952 2.299 1.027 0.629 0.924 0.481 CA 1.690 132 residues pruned to eliminate duplicates Z: 131 95.276 2.309 1.114 0.644 0.892 0.585 CA 1.677 137 residues pruned to eliminate duplicates Z: 8 7.006 1.738 0.494 0.486 0.857 0.286 CA 1.206 8 residues pruned to eliminate duplicates Z: 52 49.337 2.243 0.981 0.551 0.922 0.471 CB 1.606 52 residues pruned to eliminate duplicates Z: 14 29.361 2.350 1.151 0.485 1.000 0.615 CA 1.636 14 residues pruned to eliminate duplicates Z: 42 30.671 2.091 0.894 0.406 0.829 0.561 CB 1.609 42 residues pruned to eliminate duplicates Z: 54 50.371 2.281 1.015 0.594 0.887 0.528 CB 1.552 54 residues pruned to eliminate duplicates Z: 168 92.236 2.261 0.924 0.597 0.922 0.575 CA 1.622 168 residues pruned to eliminate duplicates Z: 21 22.645 2.218 1.059 0.448 0.800 0.450 CA 1.461 21 residues pruned to eliminate duplicates Z: 55 48.346 2.248 1.055 0.555 0.852 0.463 CB 1.584 55 residues pruned to eliminate duplicates Z: 22 24.080 2.209 1.114 0.424 0.857 0.381 CB 1.422 22 residues pruned to eliminate duplicates Z: 132 96.553 2.334 1.041 0.650 0.908 0.550 CA 1.695 132 residues pruned to eliminate duplicates Z: 55 52.161 2.233 1.045 0.573 0.944 0.370 CB 1.534 55 residues pruned to eliminate duplicates Z: 54 56.025 2.290 1.111 0.601 0.943 0.509 CB 1.533 54 residues pruned to eliminate duplicates Z: 134 94.006 2.320 1.012 0.637 0.910 0.639 CA 1.689 134 residues pruned to eliminate duplicates Z: 21 27.881 2.222 1.143 0.481 0.900 0.500 CA 1.483 21 residues pruned to eliminate duplicates Z: 182 109.335 2.308 0.966 0.637 0.939 0.575 CA 1.676 182 residues pruned to eliminate duplicates Z: 180 103.724 2.313 0.973 0.592 0.927 0.542 CB 1.678 180 residues pruned to eliminate duplicates Z: 32 34.603 2.324 1.002 0.516 0.871 0.613 CA 1.510 32 residues pruned to eliminate duplicates Z: 67 54.515 2.296 0.916 0.501 0.955 0.606 CA 1.596 67 residues pruned to eliminate duplicates Z: 96 64.125 2.301 0.942 0.542 0.874 0.600 CA 1.617 96 residues pruned to eliminate duplicates Z: 51 41.538 2.255 0.719 0.508 0.940 0.640 CB 1.600 51 residues pruned to eliminate duplicates Z: 15 21.740 2.214 0.752 0.614 0.929 0.714 CA 1.448 15 residues pruned to eliminate duplicates Z: 118 60.211 2.235 0.708 0.531 0.906 0.530 CB 1.560 118 residues pruned to eliminate duplicates Z: 50 43.643 2.259 0.609 0.558 0.980 0.714 CB 1.656 50 residues pruned to eliminate duplicates Z: 45 41.504 2.309 0.865 0.508 0.909 0.545 CA 1.585 45 residues pruned to eliminate duplicates Z: 49 48.011 2.265 0.830 0.561 0.979 0.646 CA 1.608 49 residues pruned to eliminate duplicates Z: 184 99.463 2.290 0.892 0.613 0.913 0.579 CA 1.671 184 residues pruned to eliminate duplicates Z: 44 42.851 2.331 0.824 0.554 0.930 0.651 CA 1.568 44 residues pruned to eliminate duplicates Z: 62 46.784 2.239 0.697 0.546 0.934 0.672 CB 1.612 62 residues pruned to eliminate duplicates Z: 49 44.470 2.273 0.775 0.560 0.938 0.708 CA 1.600 49 residues pruned to eliminate duplicates Z: 50 48.119 2.278 0.764 0.540 0.980 0.694 CB 1.679 50 residues pruned to eliminate duplicates Z: 64 50.859 2.258 0.723 0.540 0.968 0.651 CA 1.636 64 residues pruned to eliminate duplicates Z: 51 43.650 2.271 0.696 0.534 0.960 0.640 CA 1.614 51 residues pruned to eliminate duplicates Z: 44 41.120 2.307 0.750 0.557 0.907 0.651 CA 1.620 44 residues pruned to eliminate duplicates Z: 49 43.497 2.269 0.769 0.557 0.938 0.771 CA 1.579 49 residues pruned to eliminate duplicates Z: 46 41.202 2.302 0.810 0.558 0.911 0.667 CA 1.530 46 residues pruned to eliminate duplicates Z: 56 47.437 2.292 0.858 0.547 0.891 0.618 CB 1.610 56 residues pruned to eliminate duplicates Z: 66 45.463 2.236 0.655 0.533 0.923 0.692 CA 1.598 66 residues pruned to eliminate duplicates Z: 52 44.881 2.267 0.891 0.505 0.922 0.588 CA 1.583 52 residues pruned to eliminate duplicates Z: 49 47.315 2.292 0.906 0.548 0.917 0.625 CA 1.627 49 residues pruned to eliminate duplicates Z: 49 46.458 2.294 0.815 0.535 0.979 0.688 CA 1.589 49 residues pruned to eliminate duplicates Z: 45 41.017 2.306 0.780 0.567 0.909 0.636 CA 1.553 45 residues pruned to eliminate duplicates Z: 31 40.727 2.218 1.082 0.566 0.933 0.667 CB 1.619 31 residues pruned to eliminate duplicates Z: 51 45.658 2.251 0.821 0.536 0.940 0.700 CB 1.617 51 residues pruned to eliminate duplicates Z: 43 46.339 2.341 0.927 0.578 0.905 0.667 CA 1.625 43 residues pruned to eliminate duplicates Z: 68 50.483 2.263 0.967 0.489 0.910 0.582 CB 1.539 68 residues pruned to eliminate duplicates Z: 64 48.428 2.242 0.807 0.547 0.905 0.619 CB 1.589 64 residues pruned to eliminate duplicates Z: 41 46.671 2.357 1.014 0.587 0.875 0.675 CA 1.634 41 residues pruned to eliminate duplicates Z: 45 50.267 2.360 1.005 0.546 0.955 0.568 CA 1.604 45 residues pruned to eliminate duplicates Z: 65 49.231 2.227 0.783 0.549 0.938 0.641 CB 1.577 65 residues pruned to eliminate duplicates Z: 50 44.003 2.261 0.798 0.543 0.939 0.531 CB 1.579 50 residues pruned to eliminate duplicates Z: 196 94.977 2.272 0.943 0.586 0.877 0.626 CB 1.617 196 residues pruned to eliminate duplicates Z: 43 44.699 2.319 0.923 0.586 0.905 0.667 CB 1.574 43 residues pruned to eliminate duplicates Z: 52 44.497 2.265 0.904 0.515 0.902 0.608 CB 1.578 52 residues pruned to eliminate duplicates Z: 66 43.983 2.247 0.702 0.502 0.908 0.692 CB 1.568 66 residues pruned to eliminate duplicates Z: 51 42.467 2.287 0.863 0.496 0.900 0.620 CB 1.573 51 residues pruned to eliminate duplicates Z: 61 47.414 2.250 0.813 0.549 0.917 0.650 CB 1.561 61 residues pruned to eliminate duplicates Z: 46 30.424 2.169 0.741 0.436 0.911 0.511 CB 1.408 6 residues pruned to eliminate duplicates Z: 6 5.572 1.544 0.551 0.413 1.000 0.600 CA 1.140 6 residues pruned to eliminate duplicates Z: 54 38.591 2.234 0.771 0.464 0.925 0.566 CB 1.503 54 residues pruned to eliminate duplicates Z: 9 8.397 1.919 0.489 0.218 1.000 0.375 CB 1.448 9 residues pruned to eliminate duplicates Z: 102 64.594 2.270 0.989 0.531 0.881 0.535 CB 1.566 102 residues pruned to eliminate duplicates Z: 61 31.032 2.147 0.592 0.502 0.783 0.433 CB 1.494 61 residues pruned to eliminate duplicates Z: 62 50.101 2.235 0.840 0.544 0.984 0.656 CB 1.520 62 residues pruned to eliminate duplicates Z: 63 43.478 2.218 0.776 0.513 0.903 0.581 CB 1.533 63 residues pruned to eliminate duplicates Z: 63 48.589 2.255 0.896 0.516 0.887 0.581 CB 1.602 63 residues pruned to eliminate duplicates Z: 64 39.215 2.245 0.770 0.487 0.841 0.508 CB 1.497 64 residues pruned to eliminate duplicates Z: 25 18.561 2.015 0.591 0.434 0.958 0.625 CB 1.320 25 residues pruned to eliminate duplicates Z: 11 13.456 2.062 0.474 0.701 0.900 0.500 CB 1.296 12 residues pruned to eliminate duplicates Z: 9 9.209 2.143 0.378 0.644 0.750 0.500 CB 1.284 9 residues pruned to eliminate duplicates Z: 65 46.112 2.210 0.792 0.546 0.938 0.609 CB 1.484 65 residues pruned to eliminate duplicates Z: 8 13.259 2.011 0.626 0.832 0.857 0.571 CB 1.343 8 residues pruned to eliminate duplicates Z: 67 42.965 2.224 0.859 0.479 0.894 0.606 CB 1.462 67 residues pruned to eliminate duplicates Z: 67 46.304 2.230 0.809 0.485 0.939 0.682 CB 1.527 67 residues pruned to eliminate duplicates Z: 65 46.717 2.246 0.757 0.515 0.922 0.578 CB 1.581 65 residues pruned to eliminate duplicates Z: 19 18.273 1.971 0.749 0.524 0.889 0.667 CB 1.372 19 residues pruned to eliminate duplicates Z: 9 16.371 2.095 0.333 0.912 1.000 0.875 CB 1.468 9 residues pruned to eliminate duplicates Z: 68 44.992 2.188 0.806 0.488 0.940 0.597 CB 1.498 68 residues pruned to eliminate duplicates Z: 29 18.886 1.803 0.540 0.624 0.964 0.643 CB 1.185 Z: 27 18.867 1.860 0.596 0.600 0.923 0.577 CB 1.228 27 residues pruned to eliminate duplicates Z: 46 25.540 1.834 0.723 0.657 0.867 0.556 CB 1.201 38 residues pruned to eliminate duplicates Z: 40 23.968 1.850 0.746 0.661 0.821 0.462 CB 1.247 40 residues pruned to eliminate duplicates Z: 40 26.438 1.889 0.599 0.682 0.897 0.718 CB 1.322 43 residues pruned to eliminate duplicates Z: 15 20.705 2.039 0.428 0.915 0.929 0.786 CB 1.446 15 residues pruned to eliminate duplicates Z: 45 22.212 1.828 0.559 0.665 0.864 0.500 CB 1.168 45 residues pruned to eliminate duplicates Z: 32 26.719 1.949 0.765 0.724 0.871 0.613 CB 1.308 32 residues pruned to eliminate duplicates Z: 24 20.674 1.890 0.764 0.669 0.870 0.522 CB 1.272 24 residues pruned to eliminate duplicates Z: 38 31.544 1.953 0.662 0.727 1.000 0.568 CB 1.302 39 residues pruned to eliminate duplicates Z: 16 21.224 1.969 0.737 0.830 0.867 0.667 CA 1.390 16 residues pruned to eliminate duplicates Z: 27 21.893 1.836 0.659 0.672 0.962 0.538 CB 1.251 27 residues pruned to eliminate duplicates Z: 37 22.864 1.870 0.498 0.691 0.889 0.444 CB 1.285 37 residues pruned to eliminate duplicates Z: 26 24.055 1.880 0.660 0.706 0.960 0.720 CA 1.331 26 residues pruned to eliminate duplicates Z: 16 24.076 2.020 0.789 0.825 0.933 0.733 CA 1.391 16 residues pruned to eliminate duplicates Z: 8 12.189 1.662 0.574 0.705 1.000 0.286 O 1.461 Z: 7 6.089 1.635 0.023 0.739 0.833 0.667 CB 1.440 7 residues pruned to eliminate duplicates Z: 20 9.625 1.822 0.312 0.363 0.947 0.789 CB 1.129 17 residues pruned to eliminate duplicates Z: 8 9.605 1.723 0.262 0.877 1.000 0.857 CB 1.212 8 residues pruned to eliminate duplicates Z: 8 12.135 1.731 0.492 0.814 1.000 0.571 CB 1.351 7 residues pruned to eliminate duplicates Z: 8 11.436 1.737 0.367 0.813 1.000 0.571 CB 1.387 8 residues pruned to eliminate duplicates Z: 25 10.857 1.750 0.583 0.315 0.917 0.542 CB 1.070 24 residues pruned to eliminate duplicates Z: 7 5.296 1.744 0.618 0.515 1.000 0.667 CB 0.755 7 residues pruned to eliminate duplicates Z: 13 6.884 1.814 0.611 0.264 0.917 0.750 CB 0.972 13 residues pruned to eliminate duplicates Z: 55 29.820 2.040 0.793 0.485 0.907 0.648 CB 1.241 55 residues pruned to eliminate duplicates Z: 15 6.549 1.739 0.547 0.251 0.929 0.500 CB 0.933 15 residues pruned to eliminate duplicates Z: 14 5.040 1.702 0.437 0.225 0.923 0.692 CB 0.854 14 residues pruned to eliminate duplicates Z: 53 43.997 2.303 0.717 0.507 0.942 0.615 CA 1.626 53 residues pruned to eliminate duplicates Z: 55 41.763 2.217 0.766 0.490 0.944 0.648 CB 1.552 55 residues pruned to eliminate duplicates Z: 47 47.072 2.318 0.929 0.532 0.935 0.565 CA 1.609 47 residues pruned to eliminate duplicates Z: 57 41.312 2.261 0.799 0.460 0.911 0.589 CA 1.552 56 residues pruned to eliminate duplicates Z: 13 30.243 2.359 1.046 0.773 0.917 0.583 CA 1.551 13 residues pruned to eliminate duplicates Z: 75 63.940 2.348 1.019 0.577 0.878 0.473 CB 1.658 75 residues pruned to eliminate duplicates Z: 55 38.634 2.224 0.668 0.483 0.926 0.593 CA 1.557 55 residues pruned to eliminate duplicates Z: 66 44.249 2.213 0.702 0.501 0.954 0.615 CB 1.525 57 residues pruned to eliminate duplicates Z: 13 20.481 2.260 0.564 0.744 1.000 0.667 CA 1.345 13 residues pruned to eliminate duplicates Z: 195 97.620 2.258 0.880 0.594 0.933 0.572 CB 1.617 193 residues pruned to eliminate duplicates Z: 16 26.013 2.248 0.813 0.714 1.000 0.600 CA 1.358 16 residues pruned to eliminate duplicates Z: 67 41.369 2.212 0.628 0.504 0.924 0.606 CA 1.524 67 residues pruned to eliminate duplicates Z: 22 25.740 2.312 0.834 0.533 0.810 0.524 CA 1.585 22 residues pruned to eliminate duplicates Z: 42 32.901 2.215 0.797 0.409 0.951 0.610 CA 1.493 42 residues pruned to eliminate duplicates Z: 55 41.111 2.250 0.725 0.480 0.981 0.667 CA 1.498 55 residues pruned to eliminate duplicates Z: 56 44.887 2.282 0.857 0.458 0.964 0.636 CA 1.546 56 residues pruned to eliminate duplicates Z: 37 37.692 2.272 0.860 0.442 1.000 0.583 CA 1.579 37 residues pruned to eliminate duplicates Z: 55 41.992 2.270 0.758 0.483 0.963 0.741 CA 1.513 55 residues pruned to eliminate duplicates Z: 87 55.238 2.307 0.905 0.475 0.826 0.488 CA 1.683 87 residues pruned to eliminate duplicates Z: 79 46.011 2.221 0.758 0.445 0.936 0.564 CB 1.509 79 residues pruned to eliminate duplicates Z: 59 40.273 2.246 0.761 0.449 0.948 0.638 CA 1.485 59 residues pruned to eliminate duplicates Z: 58 42.830 2.254 0.804 0.441 0.947 0.579 CA 1.564 58 residues pruned to eliminate duplicates Z: 64 42.460 2.194 0.686 0.526 0.937 0.571 CB 1.505 64 residues pruned to eliminate duplicates Z: 54 46.412 2.304 0.842 0.501 0.962 0.660 CA 1.559 54 residues pruned to eliminate duplicates Z: 30 28.377 2.190 0.790 0.438 0.931 0.586 CA 1.539 30 residues pruned to eliminate duplicates Z: 30 27.667 2.195 0.778 0.454 0.931 0.621 CA 1.482 30 residues pruned to eliminate duplicates Z: 45 41.019 2.216 0.958 0.471 0.955 0.523 CA 1.538 45 residues pruned to eliminate duplicates Z: 49 44.292 2.266 0.919 0.549 0.875 0.479 CA 1.603 49 residues pruned to eliminate duplicates Z: 58 31.961 2.093 0.735 0.371 0.877 0.509 CB 1.526 58 residues pruned to eliminate duplicates Z: 43 35.583 2.212 0.890 0.392 0.929 0.524 CA 1.586 43 residues pruned to eliminate duplicates Z: 54 46.949 2.282 0.896 0.482 0.962 0.642 CA 1.577 54 residues pruned to eliminate duplicates Z: 46 35.736 2.184 0.894 0.406 0.933 0.600 CA 1.523 46 residues pruned to eliminate duplicates Z: 58 36.357 2.099 0.810 0.425 0.947 0.526 CB 1.445 58 residues pruned to eliminate duplicates Z: 50 38.347 2.177 0.888 0.434 0.918 0.653 CB 1.554 50 residues pruned to eliminate duplicates Z: 187 85.454 2.199 0.870 0.584 0.919 0.608 CB 1.530 187 residues pruned to eliminate duplicates Z: 7 9.200 1.683 0.610 0.505 1.000 0.667 CA 1.380 7 residues pruned to eliminate duplicates Z: 97 57.641 2.219 0.830 0.495 0.927 0.573 CB 1.571 95 residues pruned to eliminate duplicates Z: 6 4.410 1.744 0.730 0.387 0.600 0.400 CA 1.229 6 residues pruned to eliminate duplicates Z: 17 13.962 2.007 0.668 0.297 0.938 0.438 CB 1.396 17 residues pruned to eliminate duplicates Z: 33 31.929 2.158 0.926 0.427 0.938 0.594 CA 1.563 33 residues pruned to eliminate duplicates Z: 35 26.922 2.138 0.749 0.433 0.941 0.529 CB 1.407 35 residues pruned to eliminate duplicates Z: 47 39.537 2.197 0.987 0.413 0.957 0.543 CA 1.529 47 residues pruned to eliminate duplicates Z: 19 15.164 2.086 0.744 0.196 0.944 0.556 CA 1.494 19 residues pruned to eliminate duplicates Z: 60 38.457 2.196 0.812 0.425 0.932 0.508 CA 1.460 60 residues pruned to eliminate duplicates Z: 184 92.108 2.250 0.849 0.587 0.940 0.601 CB 1.601 184 residues pruned to eliminate duplicates 694 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 12 D: 22 E: 46 F: 114 G: 156 H: 139 I: 192 CC for partial structure against native data = 37.73 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.569, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.653, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.786, Connect. = 0.779 for dens.mod. cycle 3 = 0.300, Contrast = 0.805, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.821, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.827, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.832, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.833, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.834, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.834, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4183 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 957 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 32.606 2.282 0.744 0.876 1.000 0.769 CA 1.652 B: 13 40.908 2.419 1.015 0.858 1.000 0.667 CA 1.784 14 residues pruned to eliminate duplicates C: 17 33.170 2.274 0.993 0.870 0.875 0.625 CB 1.526 D: 18 39.470 2.332 0.925 0.836 1.000 0.647 CB 1.596 17 residues pruned to eliminate duplicates E: 12 29.846 2.410 0.835 0.857 0.909 0.818 CA 1.649 F: 16 29.397 2.119 0.936 0.788 0.933 0.800 CA 1.540 G: 18 32.285 2.295 0.611 0.884 1.000 0.765 CA 1.529 19 residues pruned to eliminate duplicates H: 14 42.849 2.310 1.227 0.847 1.000 0.846 CA 1.715 13 residues pruned to eliminate duplicates I: 13 40.952 2.318 1.292 0.862 1.000 0.750 CB 1.633 J: 15 25.478 2.185 0.729 0.848 0.929 0.857 CA 1.439 15 residues pruned to eliminate duplicates K: 12 26.546 2.214 0.960 0.872 1.000 0.545 CB 1.345 L: 13 28.113 2.276 0.637 0.871 0.917 0.667 CA 1.733 M: 32 31.611 2.326 0.804 0.554 0.806 0.710 CB 1.592 13 residues pruned to eliminate duplicates N: 42 40.140 2.284 0.736 0.569 0.951 0.634 CA 1.555 O: 11 28.700 2.514 0.791 0.848 0.900 0.700 CA 1.661 11 residues pruned to eliminate duplicates P: 13 25.338 2.385 0.631 0.770 0.917 0.667 CA 1.615 12 residues pruned to eliminate duplicates Q: 13 28.878 2.371 1.161 0.769 0.833 0.500 CB 1.539 R: 13 25.451 2.153 0.773 0.839 1.000 0.583 CA 1.437 12 residues pruned to eliminate duplicates S: 13 42.479 2.384 0.998 0.920 1.000 0.583 CA 1.813 14 residues pruned to eliminate duplicates T: 13 24.262 2.164 1.070 0.872 0.833 0.417 CB 1.368 19 residues pruned to eliminate duplicates U: 16 36.381 2.149 1.210 0.788 1.000 0.600 CB 1.535 16 residues pruned to eliminate duplicates V: 19 45.474 2.332 1.134 0.814 1.000 0.833 CB 1.640 17 residues pruned to eliminate duplicates W: 13 30.364 2.363 1.138 0.770 0.833 0.583 CB 1.640 13 residues pruned to eliminate duplicates X: 55 46.517 2.311 0.808 0.576 0.889 0.556 CB 1.585 31 residues pruned to eliminate duplicates Y: 18 29.024 1.977 1.057 0.758 0.941 0.765 CA 1.462 17 residues pruned to eliminate duplicates Z: 20 36.816 2.299 0.829 0.889 0.947 0.632 CA 1.527 Z: 24 34.555 2.066 1.043 0.784 0.957 0.652 CA 1.390 20 residues pruned to eliminate duplicates Z: 83 58.872 2.312 0.897 0.544 0.878 0.610 CA 1.618 46 residues pruned to eliminate duplicates Z: 18 38.166 2.282 0.880 0.890 0.941 0.765 CB 1.650 18 residues pruned to eliminate duplicates Z: 11 37.921 2.497 1.100 0.918 0.900 0.700 CA 1.791 12 residues pruned to eliminate duplicates Z: 13 37.317 2.184 1.100 0.889 1.000 0.417 CA 1.691 12 residues pruned to eliminate duplicates Z: 13 33.147 2.356 1.039 0.810 1.000 0.667 CB 1.521 13 residues pruned to eliminate duplicates Z: 12 26.734 2.286 0.831 0.815 0.909 0.545 CB 1.611 12 residues pruned to eliminate duplicates Z: 13 20.470 2.305 0.355 0.773 1.000 0.833 CA 1.487 13 residues pruned to eliminate duplicates Z: 12 31.998 2.363 0.938 0.916 0.818 0.818 CA 1.818 12 residues pruned to eliminate duplicates Z: 11 35.689 2.478 0.972 0.914 0.900 0.800 CB 1.815 11 residues pruned to eliminate duplicates Z: 84 63.508 2.267 0.930 0.618 0.892 0.518 CB 1.598 56 residues pruned to eliminate duplicates Z: 15 26.036 2.126 0.748 0.850 0.929 0.786 CA 1.494 15 residues pruned to eliminate duplicates Z: 16 24.829 2.110 0.855 0.747 0.867 0.600 CA 1.515 16 residues pruned to eliminate duplicates Z: 16 38.109 2.265 1.014 0.911 0.933 0.467 CA 1.638 Z: 12 23.311 2.297 0.791 0.780 0.818 0.455 CB 1.631 12 residues pruned to eliminate duplicates Z: 13 29.502 2.409 0.684 0.868 0.917 0.750 CA 1.674 13 residues pruned to eliminate duplicates Z: 13 33.945 2.233 0.762 0.932 1.000 0.667 CA 1.739 13 residues pruned to eliminate duplicates Z: 15 21.450 1.869 0.572 0.916 1.000 0.857 CB 1.379 Z: 15 28.286 2.168 0.908 0.778 1.000 0.571 CB 1.430 15 residues pruned to eliminate duplicates Z: 13 34.705 2.326 0.995 0.924 0.833 0.667 CA 1.819 13 residues pruned to eliminate duplicates Z: 21 38.901 2.259 1.097 0.882 0.900 0.600 CA 1.476 16 residues pruned to eliminate duplicates Z: 105 68.373 2.218 0.856 0.641 0.913 0.587 CB 1.563 83 residues pruned to eliminate duplicates Z: 13 28.631 2.196 0.845 0.882 1.000 0.917 CA 1.477 13 residues pruned to eliminate duplicates Z: 12 17.531 2.208 0.326 0.889 0.909 0.455 CB 1.430 12 residues pruned to eliminate duplicates Z: 26 33.403 2.361 0.912 0.533 0.960 0.640 CA 1.493 26 residues pruned to eliminate duplicates Z: 13 23.091 2.162 0.580 0.843 1.000 0.833 CA 1.453 13 residues pruned to eliminate duplicates Z: 14 29.263 2.258 0.581 0.876 1.000 0.923 CA 1.652 14 residues pruned to eliminate duplicates Z: 13 26.769 2.058 0.921 0.881 1.000 0.917 CA 1.415 13 residues pruned to eliminate duplicates Z: 14 31.513 2.244 0.700 0.875 1.000 0.769 CA 1.667 14 residues pruned to eliminate duplicates Z: 16 23.590 1.983 0.683 0.828 1.000 0.667 CB 1.374 Z: 11 30.833 2.463 0.799 0.887 0.900 0.900 CA 1.762 11 residues pruned to eliminate duplicates Z: 13 41.654 2.292 1.078 0.905 1.000 0.583 CA 1.797 13 residues pruned to eliminate duplicates Z: 12 24.938 2.223 0.826 0.864 0.909 0.636 CB 1.494 12 residues pruned to eliminate duplicates Z: 14 41.209 2.399 1.252 0.876 1.000 0.692 CB 1.538 13 residues pruned to eliminate duplicates Z: 15 28.396 2.169 1.003 0.799 0.857 0.786 CB 1.569 15 residues pruned to eliminate duplicates Z: 23 34.692 2.147 0.923 0.818 0.909 0.455 CA 1.496 21 residues pruned to eliminate duplicates Z: 13 27.744 2.189 0.970 0.846 0.917 0.750 CA 1.505 13 residues pruned to eliminate duplicates Z: 11 16.161 1.869 0.609 0.856 1.000 0.700 CA 1.253 Z: 14 22.014 2.039 0.617 0.844 1.000 0.769 CA 1.378 14 residues pruned to eliminate duplicates Z: 13 33.911 2.190 1.184 0.766 1.000 0.667 CA 1.616 14 residues pruned to eliminate duplicates Z: 44 31.617 2.109 0.585 0.540 0.907 0.651 CB 1.530 13 residues pruned to eliminate duplicates Z: 200 86.798 2.198 0.776 0.599 0.920 0.613 CB 1.560 174 residues pruned to eliminate duplicates Z: 13 34.385 2.283 0.970 0.879 1.000 1.000 CA 1.601 13 residues pruned to eliminate duplicates Z: 65 36.784 2.072 0.853 0.549 0.844 0.484 CB 1.352 17 residues pruned to eliminate duplicates Z: 7 15.293 1.980 0.489 0.793 1.000 0.667 N 1.637 7 residues pruned to eliminate duplicates Z: 29 27.664 2.324 0.955 0.561 0.714 0.357 CB 1.518 29 residues pruned to eliminate duplicates Z: 15 32.114 2.201 1.031 0.747 0.929 0.571 CB 1.659 15 residues pruned to eliminate duplicates Z: 15 27.519 2.121 0.743 0.795 1.000 0.714 CA 1.536 15 residues pruned to eliminate duplicates Z: 21 32.405 2.176 0.913 0.833 0.850 0.450 CA 1.536 21 residues pruned to eliminate duplicates Z: 6 8.995 1.951 0.466 0.580 1.000 0.600 CB 1.303 6 residues pruned to eliminate duplicates Z: 13 35.403 2.357 0.857 0.832 1.000 0.917 CA 1.753 13 residues pruned to eliminate duplicates Z: 16 26.243 2.026 0.705 0.827 1.000 0.867 CA 1.478 15 residues pruned to eliminate duplicates Z: 95 62.622 2.272 0.773 0.630 0.904 0.606 CB 1.569 57 residues pruned to eliminate duplicates Z: 17 32.574 2.146 0.899 0.907 0.938 0.750 CA 1.514 17 residues pruned to eliminate duplicates Z: 21 40.782 2.222 1.045 0.823 0.950 0.500 CA 1.597 24 residues pruned to eliminate duplicates Z: 21 37.119 2.243 0.904 0.870 0.900 0.550 CA 1.576 21 residues pruned to eliminate duplicates Z: 23 32.434 2.073 0.917 0.819 0.864 0.500 CA 1.528 23 residues pruned to eliminate duplicates Z: 11 27.278 2.158 1.046 0.905 0.900 0.800 CA 1.545 Z: 9 14.500 2.062 0.564 0.834 1.000 0.625 CB 1.192 Z: 13 15.899 2.114 0.480 0.818 0.917 0.917 CA 1.214 13 residues pruned to eliminate duplicates Z: 14 25.020 2.191 0.797 0.776 0.923 0.615 CA 1.496 14 residues pruned to eliminate duplicates Z: 13 36.686 2.277 0.802 0.918 1.000 0.750 CA 1.821 12 residues pruned to eliminate duplicates Z: 11 10.547 1.849 0.238 0.793 0.800 0.800 CA 1.408 11 residues pruned to eliminate duplicates Z: 12 37.504 2.304 0.981 0.912 1.000 0.727 CA 1.755 13 residues pruned to eliminate duplicates Z: 17 22.002 2.017 0.684 0.790 0.938 0.750 CA 1.340 17 residues pruned to eliminate duplicates Z: 16 24.625 2.288 0.391 0.917 0.933 0.800 CA 1.511 16 residues pruned to eliminate duplicates Z: 22 32.507 2.222 0.626 0.853 0.905 0.857 CA 1.603 21 residues pruned to eliminate duplicates Z: 20 37.412 2.180 0.974 0.849 0.947 0.684 CA 1.561 20 residues pruned to eliminate duplicates Z: 18 22.875 2.156 0.482 0.817 0.941 0.647 CA 1.401 Z: 12 19.235 2.228 0.501 0.870 0.909 0.818 CB 1.393 12 residues pruned to eliminate duplicates Z: 30 26.154 2.082 0.790 0.583 0.828 0.690 CB 1.454 30 residues pruned to eliminate duplicates Z: 14 28.694 2.144 0.779 0.900 1.000 0.923 CB 1.490 14 residues pruned to eliminate duplicates Z: 20 33.111 2.270 0.744 0.862 0.947 0.789 CA 1.487 20 residues pruned to eliminate duplicates Z: 15 21.127 2.174 0.509 0.788 0.929 0.714 CA 1.439 15 residues pruned to eliminate duplicates Z: 13 17.746 2.010 0.551 0.845 0.917 0.833 CA 1.332 Z: 15 20.689 2.077 0.534 0.811 0.929 0.857 CB 1.425 15 residues pruned to eliminate duplicates Z: 13 25.271 2.114 0.644 0.886 1.000 0.750 CA 1.515 13 residues pruned to eliminate duplicates Z: 16 29.181 2.131 1.131 0.765 0.933 0.467 CB 1.405 16 residues pruned to eliminate duplicates Z: 13 28.014 2.289 0.862 0.787 0.917 0.833 CA 1.608 13 residues pruned to eliminate duplicates Z: 13 19.651 1.853 0.718 0.916 1.000 0.917 CA 1.258 Z: 13 24.376 2.033 0.816 0.868 1.000 0.667 CA 1.394 13 residues pruned to eliminate duplicates Z: 58 35.669 2.142 0.750 0.425 0.930 0.596 CB 1.465 42 residues pruned to eliminate duplicates Z: 13 38.919 2.383 1.437 0.890 1.000 0.750 CB 1.392 13 residues pruned to eliminate duplicates Z: 11 21.869 2.061 0.662 0.861 1.000 0.600 CA 1.483 11 residues pruned to eliminate duplicates Z: 20 36.678 2.236 0.945 0.866 0.947 0.737 CA 1.495 20 residues pruned to eliminate duplicates Z: 20 30.996 2.149 0.661 0.883 0.895 0.579 CB 1.610 20 residues pruned to eliminate duplicates Z: 13 24.172 2.100 0.653 0.894 1.000 0.917 CA 1.442 13 residues pruned to eliminate duplicates Z: 14 31.592 2.371 0.694 0.914 1.000 0.923 CB 1.543 14 residues pruned to eliminate duplicates Z: 19 32.612 2.177 0.927 0.836 0.944 0.778 CA 1.451 18 residues pruned to eliminate duplicates Z: 20 34.925 2.047 1.119 0.836 0.947 0.474 CA 1.460 20 residues pruned to eliminate duplicates Z: 123 98.098 2.340 1.083 0.679 0.926 0.557 CA 1.669 95 residues pruned to eliminate duplicates Z: 14 38.073 2.379 1.121 0.932 1.000 0.769 CB 1.461 14 residues pruned to eliminate duplicates Z: 18 25.249 2.225 0.775 0.790 0.824 0.353 CA 1.459 18 residues pruned to eliminate duplicates Z: 17 43.261 2.378 1.149 0.903 0.938 0.688 CB 1.608 17 residues pruned to eliminate duplicates Z: 12 19.910 2.205 0.504 0.880 0.909 0.909 CB 1.443 12 residues pruned to eliminate duplicates Z: 13 20.879 2.051 0.771 0.854 0.917 0.667 CB 1.338 13 residues pruned to eliminate duplicates Z: 23 33.575 2.131 0.722 0.854 0.909 0.591 CA 1.585 23 residues pruned to eliminate duplicates Z: 121 64.721 2.139 0.855 0.645 0.875 0.542 CB 1.486 121 residues pruned to eliminate duplicates Z: 42 36.929 2.274 0.845 0.526 0.902 0.610 CA 1.485 42 residues pruned to eliminate duplicates Z: 11 21.807 2.081 0.816 0.904 0.900 0.700 CB 1.444 12 residues pruned to eliminate duplicates Z: 14 15.449 2.060 0.431 0.884 0.769 0.769 CA 1.366 Z: 23 26.614 2.113 0.882 0.806 0.773 0.636 CA 1.414 23 residues pruned to eliminate duplicates Z: 12 26.862 2.164 0.980 0.888 0.909 0.727 CB 1.498 12 residues pruned to eliminate duplicates Z: 19 38.132 2.344 0.955 0.858 0.889 0.500 CA 1.625 19 residues pruned to eliminate duplicates Z: 19 32.838 2.205 0.908 0.892 0.889 0.667 CA 1.486 19 residues pruned to eliminate duplicates Z: 19 27.177 2.201 0.530 0.891 0.944 0.889 CA 1.448 19 residues pruned to eliminate duplicates Z: 12 28.643 2.058 1.172 0.884 1.000 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 14 19.201 1.937 0.844 0.899 0.923 0.615 CB 1.154 14 residues pruned to eliminate duplicates Z: 12 25.039 2.319 0.550 0.916 1.000 1.000 CA 1.483 12 residues pruned to eliminate duplicates Z: 18 18.599 1.925 0.367 0.807 0.941 0.647 CB 1.392 14 residues pruned to eliminate duplicates Z: 19 23.072 2.147 0.529 0.831 0.944 0.722 CA 1.318 19 residues pruned to eliminate duplicates Z: 13 31.411 2.211 0.820 0.884 1.000 0.917 CA 1.628 13 residues pruned to eliminate duplicates Z: 8 7.346 1.663 0.203 0.708 0.857 0.714 CB 1.340 8 residues pruned to eliminate duplicates Z: 13 22.121 1.956 0.531 0.884 1.000 0.750 CB 1.541 13 residues pruned to eliminate duplicates Z: 65 46.864 2.255 0.718 0.495 0.953 0.625 CA 1.595 65 residues pruned to eliminate duplicates Z: 13 34.977 2.288 0.922 0.862 1.000 0.750 CA 1.686 13 residues pruned to eliminate duplicates Z: 11 21.376 2.041 0.554 0.899 1.000 0.800 CA 1.523 11 residues pruned to eliminate duplicates Z: 11 27.062 2.276 0.626 0.874 1.000 0.900 CA 1.682 11 residues pruned to eliminate duplicates Z: 16 41.288 2.459 1.162 0.925 0.933 0.667 CB 1.507 16 residues pruned to eliminate duplicates Z: 12 18.162 2.001 0.425 0.862 1.000 0.818 CB 1.410 12 residues pruned to eliminate duplicates Z: 19 21.548 2.092 0.635 0.812 0.944 0.833 CA 1.198 19 residues pruned to eliminate duplicates Z: 19 22.021 2.142 0.631 0.779 0.833 0.722 CA 1.395 19 residues pruned to eliminate duplicates Z: 31 23.311 1.990 0.676 0.598 0.900 0.367 CB 1.292 31 residues pruned to eliminate duplicates Z: 133 84.229 2.308 0.895 0.627 0.902 0.568 CA 1.649 133 residues pruned to eliminate duplicates Z: 21 27.669 2.181 0.560 0.882 0.950 0.850 CA 1.385 21 residues pruned to eliminate duplicates Z: 12 30.164 2.224 0.975 0.905 1.000 0.727 CB 1.474 12 residues pruned to eliminate duplicates Z: 13 23.858 2.015 0.880 0.872 0.917 0.750 CA 1.446 13 residues pruned to eliminate duplicates Z: 15 40.120 2.340 1.296 0.910 1.000 0.786 CB 1.415 15 residues pruned to eliminate duplicates Z: 19 18.712 2.105 0.550 0.759 0.889 0.778 CA 1.208 19 residues pruned to eliminate duplicates Z: 43 34.675 2.233 0.842 0.568 0.881 0.429 CB 1.383 43 residues pruned to eliminate duplicates Z: 111 71.103 2.165 0.860 0.689 0.927 0.582 CB 1.527 115 residues pruned to eliminate duplicates Z: 13 31.511 2.128 0.976 0.905 1.000 0.750 CB 1.540 13 residues pruned to eliminate duplicates Z: 77 64.811 2.286 0.866 0.710 0.934 0.658 CB 1.542 76 residues pruned to eliminate duplicates Z: 13 31.339 2.322 0.808 0.899 1.000 0.833 CB 1.539 13 residues pruned to eliminate duplicates Z: 12 17.150 1.936 0.950 0.878 0.818 0.727 CA 1.215 12 residues pruned to eliminate duplicates Z: 132 70.481 2.257 0.847 0.608 0.855 0.504 CB 1.558 131 residues pruned to eliminate duplicates Z: 103 66.104 2.211 0.924 0.650 0.902 0.569 CB 1.483 103 residues pruned to eliminate duplicates Z: 12 23.432 2.039 0.886 0.877 0.909 0.909 CB 1.467 12 residues pruned to eliminate duplicates Z: 22 36.814 2.088 1.196 0.874 0.952 0.476 CB 1.339 22 residues pruned to eliminate duplicates Z: 10 17.410 1.989 0.461 0.887 1.000 1.000 CB 1.440 9 residues pruned to eliminate duplicates Z: 13 17.517 2.090 0.618 0.781 0.833 0.250 CA 1.401 13 residues pruned to eliminate duplicates Z: 7 7.326 1.969 0.068 0.656 0.833 0.667 CA 1.477 7 residues pruned to eliminate duplicates Z: 18 28.074 2.180 0.624 0.883 1.000 0.824 CA 1.391 18 residues pruned to eliminate duplicates Z: 7 15.643 1.887 1.211 0.786 1.000 0.500 CA 1.190 7 residues pruned to eliminate duplicates Z: 15 24.675 2.073 0.676 0.864 0.929 0.857 CA 1.499 15 residues pruned to eliminate duplicates Z: 13 23.573 2.024 0.855 0.875 1.000 0.833 CB 1.318 13 residues pruned to eliminate duplicates Z: 14 23.734 2.148 0.777 0.770 0.923 0.692 CA 1.470 14 residues pruned to eliminate duplicates Z: 11 20.612 1.887 0.963 0.800 0.900 0.700 CB 1.505 11 residues pruned to eliminate duplicates Z: 19 27.530 2.159 0.741 0.780 0.944 0.722 CA 1.429 19 residues pruned to eliminate duplicates Z: 9 6.831 1.535 0.548 0.718 0.875 0.750 CA 0.953 9 residues pruned to eliminate duplicates Z: 22 23.396 2.169 0.433 0.869 0.905 0.667 CA 1.326 22 residues pruned to eliminate duplicates Z: 17 28.762 2.282 0.530 0.895 1.000 0.938 CA 1.476 17 residues pruned to eliminate duplicates Z: 178 97.423 2.287 0.915 0.608 0.927 0.593 CA 1.629 172 residues pruned to eliminate duplicates Z: 14 22.370 1.963 0.745 0.773 1.000 0.846 CB 1.423 14 residues pruned to eliminate duplicates Z: 17 19.397 1.954 0.487 0.855 0.875 0.750 CB 1.408 18 residues pruned to eliminate duplicates Z: 13 33.361 2.255 0.999 0.878 1.000 0.583 CA 1.551 13 residues pruned to eliminate duplicates Z: 11 25.030 2.393 0.748 0.883 0.900 0.600 CA 1.521 11 residues pruned to eliminate duplicates Z: 14 31.556 2.190 0.973 0.863 1.000 0.923 CA 1.486 14 residues pruned to eliminate duplicates Z: 14 24.862 1.974 0.841 0.886 0.923 0.846 CB 1.483 14 residues pruned to eliminate duplicates Z: 14 24.260 1.914 0.708 0.890 1.000 0.769 CB 1.481 15 residues pruned to eliminate duplicates Z: 20 33.432 2.111 1.006 0.876 0.895 0.526 CA 1.471 20 residues pruned to eliminate duplicates Z: 13 31.640 2.209 0.851 0.909 0.917 0.583 CA 1.730 13 residues pruned to eliminate duplicates Z: 9 7.844 1.714 0.634 0.790 0.750 0.625 CB 1.023 9 residues pruned to eliminate duplicates Z: 87 53.104 2.240 0.865 0.450 0.930 0.616 CB 1.552 87 residues pruned to eliminate duplicates Z: 11 34.554 2.263 1.106 0.920 1.000 0.500 CA 1.616 11 residues pruned to eliminate duplicates Z: 8 7.880 1.716 0.723 0.777 0.857 0.857 CA 0.921 8 residues pruned to eliminate duplicates Z: 20 20.103 1.917 0.497 0.773 0.947 0.684 CB 1.332 17 residues pruned to eliminate duplicates Z: 19 21.811 2.106 0.575 0.764 0.944 0.778 CA 1.298 19 residues pruned to eliminate duplicates Z: 11 26.753 2.306 0.553 0.866 1.000 0.800 CA 1.729 11 residues pruned to eliminate duplicates Z: 8 4.577 1.696 -0.183 0.680 0.857 0.571 N 1.233 8 residues pruned to eliminate duplicates Z: 13 24.430 2.190 0.697 0.850 0.917 0.833 CA 1.533 13 residues pruned to eliminate duplicates Z: 13 42.546 2.359 1.116 0.924 1.000 0.750 CA 1.728 13 residues pruned to eliminate duplicates Z: 12 16.873 2.012 0.380 0.869 1.000 1.000 CA 1.338 12 residues pruned to eliminate duplicates Z: 16 10.602 1.946 0.749 0.527 0.733 0.467 CB 1.068 Z: 14 20.601 2.105 0.592 0.859 0.923 0.769 CA 1.360 14 residues pruned to eliminate duplicates Z: 8 8.454 1.864 0.791 0.525 0.857 0.714 CB 1.090 Z: 21 30.584 2.251 0.799 0.875 0.900 0.750 CA 1.365 21 residues pruned to eliminate duplicates Z: 63 34.855 2.099 0.647 0.483 0.919 0.694 CB 1.416 44 residues pruned to eliminate duplicates Z: 85 54.597 2.179 0.933 0.533 0.905 0.548 CB 1.512 95 residues pruned to eliminate duplicates Z: 13 48.992 2.413 1.224 0.915 1.000 0.750 CB 1.862 13 residues pruned to eliminate duplicates Z: 10 19.234 1.977 0.590 0.897 0.889 0.889 CA 1.644 10 residues pruned to eliminate duplicates Z: 13 45.994 2.431 1.123 0.912 1.000 0.583 CB 1.823 13 residues pruned to eliminate duplicates Z: 13 30.339 2.211 0.896 0.907 0.917 0.833 CA 1.620 13 residues pruned to eliminate duplicates Z: 11 33.939 2.486 0.873 0.832 1.000 0.500 CB 1.731 11 residues pruned to eliminate duplicates Z: 18 18.117 1.899 0.450 0.844 0.941 0.765 CB 1.262 18 residues pruned to eliminate duplicates Z: 105 79.052 2.328 0.993 0.632 0.885 0.519 CA 1.669 105 residues pruned to eliminate duplicates Z: 22 40.387 2.121 1.118 0.859 0.905 0.381 CA 1.596 22 residues pruned to eliminate duplicates Z: 13 34.401 2.346 1.060 0.892 1.000 0.750 CB 1.476 13 residues pruned to eliminate duplicates Z: 100 63.284 2.239 0.845 0.628 0.879 0.566 CA 1.553 229 residues pruned to eliminate duplicates Z: 16 7.496 1.771 0.690 0.263 0.800 0.267 CB 1.059 Z: 19 21.246 2.126 0.333 0.826 1.000 0.833 CA 1.332 Z: 74 55.162 2.044 0.939 0.716 0.918 0.753 CB 1.459 90 residues pruned to eliminate duplicates Z: 11 19.269 2.259 0.482 0.888 0.900 0.700 CB 1.457 11 residues pruned to eliminate duplicates Z: 23 29.344 2.119 0.683 0.840 0.864 0.636 CA 1.516 23 residues pruned to eliminate duplicates Z: 12 19.357 2.038 0.493 0.893 1.000 1.000 CA 1.377 12 residues pruned to eliminate duplicates Z: 20 35.358 2.233 0.920 0.837 0.895 0.579 CA 1.581 20 residues pruned to eliminate duplicates Z: 11 23.223 2.078 0.647 0.881 1.000 0.400 CA 1.554 11 residues pruned to eliminate duplicates Z: 12 28.834 2.272 0.690 0.898 1.000 0.636 CB 1.619 12 residues pruned to eliminate duplicates Z: 42 26.236 2.060 0.563 0.513 0.854 0.488 CB 1.471 42 residues pruned to eliminate duplicates Z: 10 19.632 2.024 0.747 0.908 1.000 0.556 CB 1.314 10 residues pruned to eliminate duplicates Z: 62 49.903 2.210 0.740 0.688 0.918 0.656 CA 1.524 62 residues pruned to eliminate duplicates Z: 12 12.575 1.822 0.338 0.823 1.000 0.818 CB 1.175 Z: 22 39.209 2.218 0.902 0.854 0.905 0.571 CA 1.656 22 residues pruned to eliminate duplicates Z: 8 11.537 1.844 0.409 0.835 0.857 0.571 CB 1.467 7 residues pruned to eliminate duplicates Z: 129 71.922 2.159 0.741 0.654 0.938 0.664 CA 1.563 121 residues pruned to eliminate duplicates Z: 18 32.207 2.256 0.839 0.817 0.941 0.529 CA 1.519 19 residues pruned to eliminate duplicates Z: 12 24.971 2.060 0.746 0.889 1.000 0.909 CA 1.507 12 residues pruned to eliminate duplicates Z: 11 13.722 1.786 0.412 0.732 1.000 0.700 CA 1.397 11 residues pruned to eliminate duplicates Z: 11 18.726 2.034 0.415 0.869 1.000 0.700 CB 1.503 11 residues pruned to eliminate duplicates Z: 11 32.678 2.330 1.106 0.938 0.900 0.800 CA 1.628 11 residues pruned to eliminate duplicates Z: 22 24.604 2.057 0.675 0.794 0.810 0.571 CA 1.488 22 residues pruned to eliminate duplicates Z: 57 59.481 2.282 1.070 0.696 0.893 0.482 CB 1.577 52 residues pruned to eliminate duplicates Z: 13 20.209 2.007 0.364 0.898 1.000 0.667 CA 1.524 13 residues pruned to eliminate duplicates Z: 7 3.686 1.572 0.181 0.646 0.667 0.500 CA 1.062 Z: 17 23.998 1.932 0.671 0.923 0.938 0.750 CB 1.393 20 residues pruned to eliminate duplicates Z: 24 22.550 2.138 0.835 0.446 0.783 0.478 CB 1.619 24 residues pruned to eliminate duplicates Z: 14 19.599 2.128 0.521 0.814 0.923 0.692 CA 1.384 14 residues pruned to eliminate duplicates Z: 30 21.543 2.064 0.664 0.602 0.793 0.517 CB 1.334 30 residues pruned to eliminate duplicates Z: 20 32.390 2.146 0.813 0.908 0.895 0.474 CA 1.515 20 residues pruned to eliminate duplicates Z: 12 25.051 2.227 0.603 0.878 1.000 0.545 CB 1.535 12 residues pruned to eliminate duplicates Z: 15 19.814 2.022 0.918 0.705 0.929 0.500 CA 1.220 15 residues pruned to eliminate duplicates Z: 117 64.545 2.133 0.768 0.677 0.905 0.655 CB 1.492 117 residues pruned to eliminate duplicates Z: 53 34.849 2.138 0.768 0.553 0.865 0.519 CB 1.403 53 residues pruned to eliminate duplicates Z: 48 41.347 2.225 0.971 0.481 0.915 0.574 CB 1.532 48 residues pruned to eliminate duplicates Z: 14 28.883 2.015 1.096 0.877 1.000 0.615 CA 1.378 14 residues pruned to eliminate duplicates Z: 19 37.086 2.285 0.849 0.879 0.944 0.722 CA 1.588 19 residues pruned to eliminate duplicates Z: 37 25.688 2.186 0.596 0.383 0.889 0.667 CB 1.565 Z: 6 12.789 2.120 0.272 0.818 1.000 1.000 CB 1.609 6 residues pruned to eliminate duplicates Z: 41 41.264 2.303 0.721 0.601 1.000 0.750 CA 1.495 41 residues pruned to eliminate duplicates Z: 15 13.037 2.046 0.235 0.612 0.786 0.500 CB 1.579 10 residues pruned to eliminate duplicates Z: 128 80.194 2.261 0.912 0.653 0.929 0.598 CB 1.537 131 residues pruned to eliminate duplicates Z: 11 25.269 2.427 0.694 0.878 0.900 0.800 CB 1.567 Z: 10 21.122 1.967 0.554 0.918 1.000 0.889 CB 1.624 10 residues pruned to eliminate duplicates Z: 13 23.692 2.107 0.865 0.838 0.917 0.583 CA 1.420 13 residues pruned to eliminate duplicates Z: 12 29.256 2.269 0.772 0.923 1.000 0.636 CA 1.543 12 residues pruned to eliminate duplicates Z: 12 10.280 1.784 0.885 0.362 0.818 0.545 CB 1.307 Z: 12 5.936 1.888 0.204 0.324 0.818 0.455 CB 1.167 Z: 13 27.615 2.349 0.849 0.842 0.833 0.750 CB 1.641 13 residues pruned to eliminate duplicates Z: 10 13.447 1.993 0.429 0.845 1.000 0.778 CB 1.170 Z: 13 26.944 2.065 0.940 0.873 1.000 0.500 CA 1.414 13 residues pruned to eliminate duplicates Z: 17 29.372 2.060 1.092 0.722 0.875 0.438 CA 1.594 17 residues pruned to eliminate duplicates Z: 12 21.331 2.234 0.435 0.858 1.000 0.364 CA 1.477 12 residues pruned to eliminate duplicates Z: 16 22.975 1.982 0.507 0.940 1.000 0.933 CA 1.380 16 residues pruned to eliminate duplicates Z: 13 33.142 2.112 1.255 0.883 1.000 0.750 CA 1.453 13 residues pruned to eliminate duplicates Z: 17 23.454 1.935 0.797 0.890 0.875 0.500 CB 1.387 16 residues pruned to eliminate duplicates Z: 11 11.643 1.791 0.436 0.872 1.000 0.700 CB 1.044 10 residues pruned to eliminate duplicates Z: 12 28.383 2.050 0.969 0.926 1.000 0.818 CB 1.488 12 residues pruned to eliminate duplicates Z: 18 18.739 2.088 0.927 0.452 0.765 0.588 CB 1.552 18 residues pruned to eliminate duplicates Z: 13 38.892 2.343 1.310 0.925 0.917 0.917 CB 1.587 Z: 21 35.473 2.203 0.926 0.829 0.900 0.650 CA 1.562 21 residues pruned to eliminate duplicates Z: 12 21.876 1.866 0.705 0.897 1.000 0.727 CB 1.484 12 residues pruned to eliminate duplicates Z: 19 30.867 2.215 0.680 0.870 0.944 0.778 CA 1.511 19 residues pruned to eliminate duplicates Z: 18 36.725 2.262 0.890 0.886 1.000 0.824 CA 1.503 18 residues pruned to eliminate duplicates Z: 13 24.170 2.072 0.586 0.848 1.000 0.833 CA 1.575 13 residues pruned to eliminate duplicates Z: 12 23.194 2.191 0.767 0.847 0.909 0.545 CB 1.475 12 residues pruned to eliminate duplicates Z: 13 32.538 2.217 0.907 0.878 1.000 0.833 CA 1.612 Z: 19 35.780 2.128 1.039 0.836 0.944 0.333 CA 1.541 18 residues pruned to eliminate duplicates Z: 18 27.084 1.926 0.972 0.886 0.941 0.529 CB 1.326 18 residues pruned to eliminate duplicates Z: 19 24.302 2.190 0.860 0.626 0.889 0.667 CA 1.405 19 residues pruned to eliminate duplicates Z: 131 90.255 2.332 0.947 0.638 0.915 0.592 CA 1.674 131 residues pruned to eliminate duplicates Z: 13 17.750 2.024 0.188 0.899 1.000 0.750 CB 1.523 13 residues pruned to eliminate duplicates Z: 7 5.307 1.667 0.065 0.649 0.833 0.500 CA 1.275 7 residues pruned to eliminate duplicates Z: 11 33.028 2.329 0.973 0.882 1.000 0.800 CB 1.645 11 residues pruned to eliminate duplicates Z: 130 87.726 2.325 0.997 0.660 0.899 0.612 CA 1.594 162 residues pruned to eliminate duplicates Z: 14 22.444 2.028 0.630 0.859 1.000 0.846 CB 1.386 14 residues pruned to eliminate duplicates Z: 10 10.985 1.717 0.812 0.346 1.000 0.778 CB 1.392 Z: 20 38.005 2.284 0.904 0.848 0.947 0.684 CA 1.570 20 residues pruned to eliminate duplicates Z: 19 28.642 2.172 0.810 0.749 0.889 0.278 CA 1.547 Z: 13 28.620 2.275 0.766 0.869 1.000 0.750 CA 1.503 13 residues pruned to eliminate duplicates Z: 11 21.879 2.026 0.630 0.903 1.000 0.800 CB 1.493 11 residues pruned to eliminate duplicates Z: 18 19.290 1.890 0.532 0.846 0.941 0.765 CB 1.275 18 residues pruned to eliminate duplicates Z: 20 30.375 2.236 0.684 0.878 0.947 0.789 CA 1.418 20 residues pruned to eliminate duplicates Z: 12 30.260 2.096 1.066 0.914 1.000 0.636 CB 1.490 12 residues pruned to eliminate duplicates Z: 19 35.107 2.164 0.917 0.857 0.944 0.667 CB 1.557 19 residues pruned to eliminate duplicates Z: 15 24.659 2.087 0.765 0.745 0.929 0.643 CA 1.548 15 residues pruned to eliminate duplicates Z: 6 2.120 1.749 -0.407 0.346 1.000 0.400 CB 1.082 Z: 22 30.080 2.152 0.824 0.857 0.857 0.571 CA 1.437 22 residues pruned to eliminate duplicates Z: 11 12.092 1.832 0.275 0.892 1.000 1.000 CA 1.177 11 residues pruned to eliminate duplicates Z: 18 21.100 1.908 0.535 0.889 1.000 0.882 CB 1.258 18 residues pruned to eliminate duplicates Z: 11 25.343 2.123 0.870 0.881 0.900 0.800 CA 1.624 11 residues pruned to eliminate duplicates Z: 19 38.904 2.307 1.173 0.817 0.944 0.667 CB 1.471 19 residues pruned to eliminate duplicates Z: 94 63.462 2.254 0.827 0.632 0.892 0.634 CB 1.582 94 residues pruned to eliminate duplicates Z: 14 23.787 1.927 0.677 0.883 1.000 0.769 CB 1.476 14 residues pruned to eliminate duplicates Z: 8 7.926 1.801 0.780 0.479 0.857 0.857 CB 1.113 8 residues pruned to eliminate duplicates Z: 17 24.779 1.986 0.806 0.721 0.938 0.500 CA 1.509 17 residues pruned to eliminate duplicates Z: 10 16.295 2.005 0.443 0.826 1.000 0.667 CA 1.416 11 residues pruned to eliminate duplicates Z: 134 92.454 2.315 1.045 0.652 0.887 0.549 CA 1.657 134 residues pruned to eliminate duplicates Z: 13 16.208 2.099 0.474 0.836 0.833 0.583 CB 1.359 13 residues pruned to eliminate duplicates Z: 42 22.050 2.014 0.590 0.424 0.854 0.488 CB 1.363 42 residues pruned to eliminate duplicates Z: 11 17.962 2.026 0.521 0.894 1.000 0.700 CA 1.322 11 residues pruned to eliminate duplicates Z: 7 5.456 1.752 0.470 0.594 0.833 0.500 CB 0.949 Z: 102 73.969 2.334 0.780 0.655 0.911 0.624 CA 1.684 102 residues pruned to eliminate duplicates Z: 66 39.577 2.165 0.745 0.438 0.908 0.615 CA 1.526 50 residues pruned to eliminate duplicates Z: 57 31.629 2.132 0.764 0.525 0.857 0.625 CB 1.279 57 residues pruned to eliminate duplicates Z: 157 76.541 2.186 0.835 0.584 0.910 0.583 CB 1.548 221 residues pruned to eliminate duplicates Z: 6 5.297 1.530 0.652 0.673 0.800 0.800 CA 0.999 Z: 14 22.539 2.198 0.796 0.827 0.923 0.462 CB 1.293 14 residues pruned to eliminate duplicates Z: 46 43.283 2.272 0.872 0.572 0.867 0.556 CA 1.632 19 residues pruned to eliminate duplicates Z: 34 32.475 2.137 0.914 0.568 0.818 0.545 CA 1.582 32 residues pruned to eliminate duplicates Z: 14 21.491 2.150 0.476 0.836 1.000 0.846 CB 1.406 14 residues pruned to eliminate duplicates Z: 8 14.917 1.965 1.033 0.569 1.000 0.714 CB 1.320 8 residues pruned to eliminate duplicates Z: 7 3.696 1.770 0.555 0.297 0.500 0.333 O 1.376 7 residues pruned to eliminate duplicates Z: 10 12.574 1.872 0.416 0.837 1.000 0.556 CB 1.183 Z: 33 34.336 2.221 0.984 0.456 0.906 0.594 CA 1.589 Z: 27 16.193 2.002 0.346 0.436 0.885 0.538 CB 1.423 21 residues pruned to eliminate duplicates Z: 13 29.854 2.307 1.059 0.882 1.000 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 11 22.065 2.083 0.526 0.918 1.000 0.700 CA 1.548 11 residues pruned to eliminate duplicates Z: 11 12.510 1.954 0.127 0.880 1.000 0.700 CB 1.302 11 residues pruned to eliminate duplicates Z: 36 23.427 2.105 0.782 0.490 0.829 0.486 CB 1.287 32 residues pruned to eliminate duplicates Z: 9 7.638 1.670 0.204 0.910 1.000 0.750 CB 0.953 Z: 98 74.140 2.277 0.816 0.720 0.948 0.680 CB 1.572 98 residues pruned to eliminate duplicates Z: 9 7.141 1.760 0.477 0.485 0.750 0.500 N 1.314 9 residues pruned to eliminate duplicates Z: 12 19.786 1.883 0.728 0.922 1.000 1.000 CA 1.289 18 residues pruned to eliminate duplicates Z: 11 21.017 1.895 0.729 0.870 1.000 0.900 CA 1.480 11 residues pruned to eliminate duplicates Z: 14 20.594 1.934 0.690 0.877 1.000 0.692 CA 1.269 14 residues pruned to eliminate duplicates Z: 194 104.284 2.289 0.985 0.609 0.922 0.544 CB 1.615 245 residues pruned to eliminate duplicates Z: 128 82.452 2.263 0.934 0.665 0.906 0.654 CB 1.584 130 residues pruned to eliminate duplicates Z: 64 34.454 2.062 0.533 0.501 0.968 0.714 CB 1.417 64 residues pruned to eliminate duplicates Z: 16 15.944 1.953 0.107 0.899 1.000 0.867 CB 1.362 16 residues pruned to eliminate duplicates Z: 9 8.974 1.975 -0.006 0.627 1.000 0.500 CB 1.434 11 residues pruned to eliminate duplicates Z: 53 32.856 2.095 0.787 0.561 0.865 0.481 CB 1.325 54 residues pruned to eliminate duplicates Z: 128 86.892 2.320 0.932 0.667 0.906 0.638 CA 1.628 128 residues pruned to eliminate duplicates Z: 13 7.736 1.788 0.690 0.260 0.750 0.500 N 1.296 Z: 12 32.639 2.326 0.785 0.909 0.909 0.727 CA 1.851 Z: 14 23.966 1.888 0.880 0.851 1.000 0.769 CA 1.387 14 residues pruned to eliminate duplicates Z: 6 12.381 1.830 0.936 0.574 1.000 1.000 CA 1.455 6 residues pruned to eliminate duplicates Z: 17 24.418 1.935 0.700 0.826 1.000 0.438 CA 1.400 18 residues pruned to eliminate duplicates Z: 13 34.053 2.126 1.218 0.930 1.000 0.833 CB 1.458 13 residues pruned to eliminate duplicates Z: 13 29.194 2.332 0.727 0.803 1.000 0.833 CB 1.606 13 residues pruned to eliminate duplicates Z: 6 2.422 1.743 0.277 0.316 0.600 0.400 CB 0.993 Z: 18 28.442 1.934 1.047 0.860 0.941 0.412 CB 1.361 18 residues pruned to eliminate duplicates Z: 82 75.758 2.300 1.054 0.678 0.938 0.617 CA 1.611 82 residues pruned to eliminate duplicates Z: 12 37.433 2.305 1.079 0.874 1.000 0.545 CA 1.715 12 residues pruned to eliminate duplicates Z: 10 21.691 2.059 0.733 0.902 1.000 0.556 CA 1.445 10 residues pruned to eliminate duplicates Z: 10 21.681 2.050 0.613 0.873 1.000 0.667 CB 1.591 10 residues pruned to eliminate duplicates Z: 29 43.420 2.359 1.242 0.593 0.893 0.536 CB 1.590 26 residues pruned to eliminate duplicates Z: 22 28.544 2.116 0.823 0.835 0.857 0.381 CA 1.411 22 residues pruned to eliminate duplicates Z: 15 15.079 1.801 0.386 0.810 1.000 0.786 CB 1.233 15 residues pruned to eliminate duplicates Z: 10 16.628 2.004 0.437 0.853 1.000 0.556 CB 1.422 10 residues pruned to eliminate duplicates Z: 8 8.580 1.816 0.647 0.518 0.857 0.714 CB 1.243 8 residues pruned to eliminate duplicates Z: 13 22.879 1.960 0.570 0.881 1.000 0.667 CB 1.555 13 residues pruned to eliminate duplicates Z: 11 13.523 1.826 0.437 0.901 1.000 1.000 CB 1.163 11 residues pruned to eliminate duplicates Z: 12 5.595 1.551 0.723 0.311 0.636 0.455 N 1.224 Z: 108 77.613 2.300 0.952 0.650 0.907 0.654 CA 1.603 108 residues pruned to eliminate duplicates Z: 19 28.267 2.258 0.429 0.866 1.000 0.722 CA 1.512 19 residues pruned to eliminate duplicates Z: 11 27.288 2.374 0.913 0.902 0.900 0.600 CB 1.506 11 residues pruned to eliminate duplicates Z: 19 17.242 1.885 0.650 0.615 0.778 0.333 CB 1.507 19 residues pruned to eliminate duplicates Z: 11 28.464 2.525 0.579 0.877 1.000 0.900 CA 1.640 Z: 59 42.442 2.248 0.778 0.484 0.897 0.707 CA 1.581 48 residues pruned to eliminate duplicates Z: 13 19.476 1.930 0.846 0.855 0.917 0.750 CA 1.271 13 residues pruned to eliminate duplicates Z: 22 33.033 2.097 0.921 0.842 0.905 0.619 CA 1.475 22 residues pruned to eliminate duplicates Z: 27 16.653 1.982 0.513 0.448 0.808 0.577 CB 1.423 28 residues pruned to eliminate duplicates Z: 6 3.824 1.614 0.696 0.299 0.800 0.600 CA 0.977 Z: 12 28.793 2.087 1.016 0.840 1.000 0.545 CA 1.540 Z: 22 20.582 2.157 0.491 0.458 1.000 0.810 CB 1.458 22 residues pruned to eliminate duplicates Z: 16 31.655 2.152 0.955 0.795 0.933 0.800 CB 1.607 16 residues pruned to eliminate duplicates Z: 12 23.273 2.117 0.949 0.808 0.818 0.273 CA 1.589 12 residues pruned to eliminate duplicates Z: 17 18.180 2.135 0.606 0.804 0.938 0.750 CA 1.085 17 residues pruned to eliminate duplicates Z: 8 8.557 1.566 0.568 0.739 0.857 0.714 CA 1.240 8 residues pruned to eliminate duplicates Z: 41 23.840 2.057 0.577 0.463 0.900 0.525 CB 1.341 41 residues pruned to eliminate duplicates Z: 10 14.215 1.940 0.279 0.837 1.000 0.778 CB 1.428 10 residues pruned to eliminate duplicates Z: 11 24.428 1.898 0.926 0.899 1.000 0.800 CB 1.510 11 residues pruned to eliminate duplicates Z: 31 22.591 1.986 0.613 0.568 0.867 0.600 CB 1.391 31 residues pruned to eliminate duplicates Z: 11 24.254 2.114 0.883 0.870 0.900 0.900 CA 1.562 11 residues pruned to eliminate duplicates Z: 11 14.627 1.895 0.377 0.850 0.900 0.700 CA 1.459 11 residues pruned to eliminate duplicates Z: 12 29.952 2.160 0.989 0.893 1.000 0.636 CB 1.509 12 residues pruned to eliminate duplicates Z: 14 20.060 1.826 0.734 0.815 1.000 0.385 CA 1.335 14 residues pruned to eliminate duplicates Z: 13 27.260 2.297 0.672 0.847 1.000 0.917 CA 1.521 13 residues pruned to eliminate duplicates Z: 11 17.669 1.916 0.785 0.905 1.000 0.900 CB 1.163 11 residues pruned to eliminate duplicates Z: 17 28.616 2.034 1.068 0.882 0.938 0.688 CB 1.313 17 residues pruned to eliminate duplicates Z: 19 23.095 2.099 0.636 0.781 0.944 0.778 CA 1.310 13 residues pruned to eliminate duplicates Z: 22 18.819 2.047 0.381 0.571 1.000 0.714 CA 1.357 23 residues pruned to eliminate duplicates Z: 11 14.948 1.999 0.209 0.906 1.000 1.000 CB 1.391 11 residues pruned to eliminate duplicates Z: 65 55.884 2.259 0.887 0.671 0.875 0.547 CB 1.599 65 residues pruned to eliminate duplicates Z: 60 36.963 2.149 0.834 0.440 0.915 0.542 CB 1.419 60 residues pruned to eliminate duplicates Z: 13 17.003 2.027 0.318 0.879 1.000 1.000 CA 1.332 13 residues pruned to eliminate duplicates Z: 54 54.195 2.287 0.801 0.726 0.943 0.585 CA 1.563 54 residues pruned to eliminate duplicates Z: 13 22.864 1.942 0.771 0.869 1.000 0.750 CA 1.403 13 residues pruned to eliminate duplicates Z: 12 12.754 1.774 0.609 0.840 1.000 0.818 CB 1.005 12 residues pruned to eliminate duplicates Z: 13 36.743 2.268 0.928 0.919 1.000 0.917 CA 1.710 12 residues pruned to eliminate duplicates Z: 17 25.386 2.081 0.822 0.810 0.812 0.625 CA 1.573 17 residues pruned to eliminate duplicates Z: 9 10.813 1.698 0.232 0.712 1.000 0.500 CB 1.509 9 residues pruned to eliminate duplicates Z: 10 20.592 1.908 0.590 0.897 1.000 0.778 CB 1.618 10 residues pruned to eliminate duplicates Z: 12 32.577 2.216 1.093 0.906 1.000 0.818 CB 1.507 12 residues pruned to eliminate duplicates Z: 10 12.920 2.182 0.398 0.905 0.889 0.889 CA 1.131 10 residues pruned to eliminate duplicates Z: 15 16.770 2.042 0.770 0.488 0.857 0.643 CB 1.463 15 residues pruned to eliminate duplicates Z: 54 32.660 2.158 0.585 0.437 0.906 0.566 CB 1.546 55 residues pruned to eliminate duplicates Z: 10 6.435 1.655 0.886 0.338 0.778 0.444 CB 1.054 Z: 11 24.636 1.903 0.901 0.898 1.000 0.800 CB 1.541 11 residues pruned to eliminate duplicates Z: 11 19.448 1.913 0.872 0.903 1.000 0.900 CB 1.224 11 residues pruned to eliminate duplicates Z: 6 4.185 1.643 0.650 0.550 0.800 0.600 CA 0.822 4 residues pruned to eliminate duplicates Z: 22 30.543 2.187 0.625 0.809 0.952 0.714 CA 1.504 22 residues pruned to eliminate duplicates Z: 7 3.265 1.697 0.087 0.322 0.833 0.500 CB 1.055 Z: 10 17.834 2.103 0.387 0.896 1.000 0.778 CA 1.460 10 residues pruned to eliminate duplicates Z: 6 7.419 1.721 0.508 0.518 1.000 0.600 CB 1.256 Z: 7 15.695 1.746 0.976 0.764 1.000 0.833 CB 1.469 7 residues pruned to eliminate duplicates Z: 13 12.523 1.677 0.691 0.794 0.917 0.500 CA 1.075 13 residues pruned to eliminate duplicates Z: 8 7.949 1.717 0.539 0.444 0.857 0.571 CB 1.405 8 residues pruned to eliminate duplicates Z: 15 22.899 2.116 0.916 0.721 1.000 0.500 CB 1.235 15 residues pruned to eliminate duplicates Z: 19 33.737 2.195 1.132 0.836 0.944 0.556 CA 1.347 19 residues pruned to eliminate duplicates Z: 26 22.263 1.995 0.697 0.634 0.880 0.600 CB 1.319 26 residues pruned to eliminate duplicates Z: 13 14.361 1.988 0.241 0.912 1.000 1.000 CA 1.190 13 residues pruned to eliminate duplicates Z: 15 22.708 2.070 0.597 0.932 0.929 0.857 CA 1.380 15 residues pruned to eliminate duplicates Z: 13 15.904 1.870 0.550 0.821 0.917 0.833 CB 1.308 13 residues pruned to eliminate duplicates Z: 22 16.611 1.972 0.958 0.405 0.810 0.333 CA 1.282 22 residues pruned to eliminate duplicates Z: 21 30.621 2.130 0.931 0.849 0.800 0.600 CA 1.543 21 residues pruned to eliminate duplicates Z: 10 9.542 1.565 0.503 0.675 0.889 0.222 CB 1.295 10 residues pruned to eliminate duplicates Z: 13 15.137 1.792 0.306 0.836 1.000 0.750 CA 1.398 13 residues pruned to eliminate duplicates Z: 11 18.197 1.914 0.819 0.915 1.000 0.800 CA 1.168 11 residues pruned to eliminate duplicates Z: 16 15.466 2.212 0.923 0.412 0.733 0.400 CA 1.404 16 residues pruned to eliminate duplicates Z: 9 17.433 2.136 0.505 0.856 0.875 0.625 CA 1.617 9 residues pruned to eliminate duplicates Z: 23 26.573 1.942 0.815 0.747 0.955 0.818 CB 1.350 23 residues pruned to eliminate duplicates Z: 13 26.126 2.307 0.543 0.873 1.000 0.833 CA 1.543 13 residues pruned to eliminate duplicates Z: 13 32.927 2.140 1.004 0.940 1.000 0.667 CB 1.539 13 residues pruned to eliminate duplicates Z: 6 2.309 1.468 0.036 0.316 0.800 0.600 N 1.040 Z: 8 7.942 1.881 0.572 0.724 0.714 0.571 CA 1.161 8 residues pruned to eliminate duplicates Z: 12 38.618 2.335 1.143 0.919 0.909 0.636 CA 1.803 12 residues pruned to eliminate duplicates Z: 12 14.424 1.904 0.321 0.869 0.909 0.909 CA 1.389 12 residues pruned to eliminate duplicates Z: 17 19.823 1.961 0.484 0.879 1.000 0.938 CB 1.234 17 residues pruned to eliminate duplicates Z: 159 90.139 2.287 0.886 0.611 0.918 0.563 CA 1.630 172 residues pruned to eliminate duplicates Z: 13 32.077 2.443 1.039 0.803 0.917 0.750 CB 1.557 13 residues pruned to eliminate duplicates Z: 43 43.175 2.151 0.876 0.637 0.881 0.548 CA 1.648 18 residues pruned to eliminate duplicates Z: 57 22.095 1.931 0.366 0.467 0.893 0.554 CB 1.297 58 residues pruned to eliminate duplicates Z: 13 15.268 1.817 0.468 0.864 0.917 0.500 CB 1.321 13 residues pruned to eliminate duplicates Z: 6 4.407 1.686 -0.016 0.710 1.000 0.800 CB 0.982 6 residues pruned to eliminate duplicates Z: 127 89.052 2.335 0.947 0.644 0.921 0.611 CA 1.657 170 residues pruned to eliminate duplicates Z: 12 17.756 2.022 0.484 0.901 1.000 0.818 CA 1.273 12 residues pruned to eliminate duplicates Z: 12 28.898 2.047 0.959 0.935 1.000 0.455 CA 1.515 12 residues pruned to eliminate duplicates Z: 13 23.569 1.921 1.094 0.922 1.000 0.667 CB 1.189 13 residues pruned to eliminate duplicates Z: 12 23.226 2.103 0.977 0.915 0.909 0.636 CB 1.309 12 residues pruned to eliminate duplicates Z: 130 83.655 2.317 0.946 0.649 0.876 0.620 CA 1.623 130 residues pruned to eliminate duplicates Z: 27 17.413 2.041 0.529 0.459 0.846 0.500 CB 1.350 27 residues pruned to eliminate duplicates Z: 9 4.903 1.802 0.332 0.374 0.750 0.625 CB 1.102 Z: 42 30.668 2.162 0.600 0.502 0.927 0.585 CB 1.491 42 residues pruned to eliminate duplicates Z: 7 4.429 1.737 0.879 0.602 0.667 0.667 CB 0.754 7 residues pruned to eliminate duplicates Z: 16 12.476 1.619 0.416 0.927 1.000 0.933 CB 0.985 Z: 16 7.992 1.577 0.689 0.333 0.800 0.467 CB 1.163 Z: 119 78.129 2.263 0.860 0.664 0.932 0.644 CB 1.575 119 residues pruned to eliminate duplicates Z: 19 31.641 2.157 0.895 0.822 0.944 0.556 CA 1.461 Z: 9 16.250 2.014 0.455 0.872 1.000 0.750 CA 1.429 9 residues pruned to eliminate duplicates Z: 9 6.783 1.766 0.694 0.517 0.750 0.625 CB 1.051 Z: 12 16.855 1.932 0.342 0.890 1.000 1.000 CB 1.410 12 residues pruned to eliminate duplicates Z: 18 45.805 2.290 1.320 0.886 0.941 0.529 CA 1.603 18 residues pruned to eliminate duplicates Z: 10 16.714 1.976 0.548 0.822 1.000 0.778 CA 1.378 10 residues pruned to eliminate duplicates Z: 22 12.982 1.695 0.567 0.476 0.905 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 12 23.510 1.907 0.670 0.896 1.000 0.909 CA 1.594 12 residues pruned to eliminate duplicates Z: 10 12.557 1.992 0.291 0.841 1.000 0.667 CB 1.214 10 residues pruned to eliminate duplicates Z: 14 25.284 2.288 0.367 0.911 1.000 0.923 CA 1.589 Z: 6 5.071 1.570 0.646 0.533 0.800 0.400 N 1.062 Z: 17 31.045 2.290 0.709 0.877 1.000 0.812 CA 1.441 17 residues pruned to eliminate duplicates Z: 12 14.724 1.751 0.614 0.860 1.000 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 14 15.022 2.069 0.681 0.559 0.769 0.462 CB 1.470 14 residues pruned to eliminate duplicates Z: 9 7.328 1.648 0.227 0.858 1.000 0.750 CB 0.944 9 residues pruned to eliminate duplicates Z: 12 20.754 1.850 0.904 0.916 1.000 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 30 18.147 1.919 0.654 0.534 0.897 0.621 CB 1.145 30 residues pruned to eliminate duplicates Z: 132 90.200 2.311 1.006 0.655 0.916 0.550 CA 1.607 146 residues pruned to eliminate duplicates Z: 44 38.636 2.232 0.820 0.546 0.907 0.628 CA 1.528 44 residues pruned to eliminate duplicates Z: 47 36.149 2.190 0.641 0.531 0.935 0.652 CB 1.540 47 residues pruned to eliminate duplicates Z: 7 3.991 1.699 0.298 0.586 0.667 0.333 CB 1.020 Z: 8 5.865 2.001 0.265 0.808 0.571 0.429 CB 1.172 8 residues pruned to eliminate duplicates Z: 12 6.782 1.635 0.368 0.716 0.818 0.455 CB 0.919 12 residues pruned to eliminate duplicates Z: 7 2.410 1.675 -0.028 0.387 0.833 0.500 CB 0.817 Z: 62 64.379 2.303 1.084 0.605 0.918 0.525 CA 1.693 19 residues pruned to eliminate duplicates Z: 17 17.323 1.953 0.492 0.609 0.938 0.812 CB 1.429 17 residues pruned to eliminate duplicates Z: 8 6.086 1.817 0.273 0.401 0.857 0.429 CB 1.287 8 residues pruned to eliminate duplicates Z: 7 3.699 1.519 0.784 0.532 0.500 0.333 CA 1.080 Z: 8 9.703 1.694 0.416 0.634 1.000 0.857 CB 1.348 Z: 20 24.318 2.097 0.737 0.710 0.895 0.737 CA 1.415 20 residues pruned to eliminate duplicates Z: 18 15.744 2.032 0.422 0.568 1.000 0.765 CB 1.237 18 residues pruned to eliminate duplicates Z: 28 13.676 1.885 0.525 0.397 0.778 0.593 CB 1.313 28 residues pruned to eliminate duplicates Z: 6 3.060 1.582 0.303 0.551 1.000 0.800 CB 0.632 Z: 10 20.059 2.008 0.594 0.920 0.889 0.889 CB 1.656 10 residues pruned to eliminate duplicates Z: 9 7.917 1.718 0.291 0.851 0.875 0.375 CB 1.068 9 residues pruned to eliminate duplicates Z: 13 11.620 1.668 0.446 0.928 0.917 0.833 CB 1.063 14 residues pruned to eliminate duplicates Z: 14 21.916 2.170 0.449 0.826 1.000 0.846 CB 1.458 14 residues pruned to eliminate duplicates Z: 12 14.071 1.872 0.313 0.884 1.000 1.000 CB 1.248 12 residues pruned to eliminate duplicates Z: 9 12.184 2.043 0.175 0.912 1.000 1.000 CA 1.271 9 residues pruned to eliminate duplicates Z: 130 89.631 2.317 0.983 0.635 0.907 0.543 CB 1.668 192 residues pruned to eliminate duplicates Z: 15 12.441 1.676 0.563 0.916 0.929 0.714 CB 0.966 15 residues pruned to eliminate duplicates Z: 77 68.941 2.315 0.932 0.675 0.921 0.671 CA 1.632 77 residues pruned to eliminate duplicates Z: 47 30.194 2.028 0.683 0.584 0.913 0.565 CB 1.318 47 residues pruned to eliminate duplicates Z: 15 28.912 2.207 0.726 0.878 1.000 0.929 CA 1.472 15 residues pruned to eliminate duplicates Z: 13 14.599 1.780 0.572 0.836 1.000 0.833 CB 1.127 13 residues pruned to eliminate duplicates Z: 14 37.425 2.282 0.969 0.884 1.000 0.769 CA 1.670 14 residues pruned to eliminate duplicates Z: 19 24.484 2.236 0.486 0.865 0.889 0.778 CA 1.431 19 residues pruned to eliminate duplicates Z: 11 15.848 1.965 0.672 0.911 0.900 0.600 CB 1.201 11 residues pruned to eliminate duplicates Z: 11 19.865 2.151 0.583 0.917 0.900 0.800 CA 1.447 11 residues pruned to eliminate duplicates Z: 6 9.206 1.511 0.840 0.818 1.000 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 7 5.420 1.798 0.782 0.558 1.000 0.667 CB 0.653 Z: 11 4.845 1.329 0.699 0.329 0.700 0.400 N 1.168 Z: 7 9.752 1.999 0.525 0.860 0.833 0.667 CB 1.152 7 residues pruned to eliminate duplicates Z: 13 21.412 2.059 0.557 0.885 0.917 0.750 CA 1.520 13 residues pruned to eliminate duplicates Z: 13 17.597 1.997 0.809 0.888 0.833 0.667 CB 1.216 13 residues pruned to eliminate duplicates Z: 6 5.680 1.834 0.604 0.331 0.800 0.600 CA 1.300 16 residues pruned to eliminate duplicates Z: 17 11.785 1.843 0.548 0.609 0.750 0.625 CA 1.242 17 residues pruned to eliminate duplicates Z: 11 8.684 1.686 0.494 0.829 1.000 0.700 CB 0.820 11 residues pruned to eliminate duplicates Z: 9 11.609 2.054 0.279 0.783 0.875 0.625 CB 1.391 9 residues pruned to eliminate duplicates Z: 11 26.111 2.341 0.723 0.920 1.000 0.900 CA 1.442 11 residues pruned to eliminate duplicates Z: 44 37.746 2.169 0.744 0.574 0.930 0.651 CB 1.523 44 residues pruned to eliminate duplicates Z: 13 20.693 1.943 0.543 0.892 1.000 0.750 CA 1.432 13 residues pruned to eliminate duplicates Z: 52 40.698 2.208 0.856 0.511 0.902 0.686 CB 1.525 52 residues pruned to eliminate duplicates Z: 20 27.107 2.133 0.748 0.840 0.947 0.632 CA 1.314 20 residues pruned to eliminate duplicates Z: 10 18.194 1.921 0.518 0.853 1.000 0.778 CA 1.537 10 residues pruned to eliminate duplicates Z: 22 22.130 2.207 0.513 0.431 0.905 0.524 CB 1.717 22 residues pruned to eliminate duplicates Z: 17 11.810 1.609 0.481 0.845 0.938 0.562 CB 0.983 15 residues pruned to eliminate duplicates Z: 35 29.279 1.869 0.945 0.670 0.912 0.529 CB 1.295 35 residues pruned to eliminate duplicates Z: 17 31.722 2.188 0.918 0.819 0.938 0.812 CA 1.528 Z: 20 29.283 2.136 0.734 0.863 0.895 0.737 CA 1.487 20 residues pruned to eliminate duplicates Z: 16 26.024 1.974 0.921 0.888 0.933 0.733 CA 1.368 16 residues pruned to eliminate duplicates Z: 13 34.516 2.164 1.112 0.921 1.000 0.917 CA 1.534 13 residues pruned to eliminate duplicates Z: 23 36.149 2.211 0.922 0.834 0.909 0.636 CA 1.495 23 residues pruned to eliminate duplicates Z: 6 7.472 2.081 -0.041 0.874 1.000 1.000 CB 1.218 6 residues pruned to eliminate duplicates Z: 21 21.631 1.899 0.568 0.856 0.900 0.800 CB 1.331 21 residues pruned to eliminate duplicates Z: 21 22.054 2.245 0.621 0.569 0.850 0.600 CB 1.492 21 residues pruned to eliminate duplicates Z: 55 46.003 2.336 0.889 0.531 0.870 0.648 CB 1.581 119 residues pruned to eliminate duplicates Z: 7 2.035 1.126 0.600 0.452 0.833 0.667 CA 0.581 Z: 22 13.410 1.868 0.523 0.331 0.952 0.429 CB 1.301 22 residues pruned to eliminate duplicates Z: 13 12.770 1.723 0.336 0.862 0.917 0.500 CB 1.283 13 residues pruned to eliminate duplicates Z: 7 5.901 1.628 0.478 0.487 0.833 0.667 CB 1.217 Z: 40 32.194 2.160 0.699 0.454 0.974 0.615 CA 1.511 Z: 11 17.186 1.990 0.327 0.760 1.000 0.700 CA 1.634 11 residues pruned to eliminate duplicates Z: 10 4.451 1.705 0.283 0.304 1.000 0.778 CB 0.844 10 residues pruned to eliminate duplicates Z: 9 4.978 1.792 0.516 0.424 0.875 0.750 CB 0.801 9 residues pruned to eliminate duplicates Z: 9 16.779 2.158 0.573 0.847 0.875 0.750 CB 1.483 9 residues pruned to eliminate duplicates Z: 12 16.826 2.009 0.408 0.924 1.000 0.909 CA 1.260 12 residues pruned to eliminate duplicates Z: 8 14.834 2.182 0.558 0.813 0.857 0.714 CB 1.466 8 residues pruned to eliminate duplicates Z: 11 22.265 1.939 1.000 0.918 1.000 1.000 CB 1.280 10 residues pruned to eliminate duplicates 6 0.554 1.281 0.574 0.318 0.600 0.400 N 0.250 ? Z: 39 17.589 1.838 0.578 0.429 0.842 0.632 CB 1.258 39 residues pruned to eliminate duplicates Z: 50 25.449 1.947 0.570 0.427 0.898 0.469 CB 1.428 50 residues pruned to eliminate duplicates Z: 6 8.407 1.854 0.295 0.859 1.000 0.400 CB 1.152 6 residues pruned to eliminate duplicates Z: 15 20.532 2.178 0.834 0.330 1.000 0.786 CB 1.654 15 residues pruned to eliminate duplicates Z: 29 29.529 2.214 0.664 0.515 0.929 0.607 CB 1.607 29 residues pruned to eliminate duplicates Z: 12 22.094 1.913 0.968 0.926 1.000 0.909 CB 1.241 12 residues pruned to eliminate duplicates Z: 29 23.617 2.114 0.705 0.513 0.893 0.643 CB 1.369 29 residues pruned to eliminate duplicates Z: 12 25.317 2.054 0.859 0.900 1.000 0.636 CB 1.428 12 residues pruned to eliminate duplicates Z: 45 44.114 2.231 0.770 0.700 0.932 0.659 CA 1.507 45 residues pruned to eliminate duplicates Z: 8 5.458 1.396 1.035 0.713 1.000 0.857 CB 0.599 Z: 11 19.893 1.900 0.885 0.906 1.000 1.000 CB 1.249 11 residues pruned to eliminate duplicates Z: 58 40.346 2.221 0.677 0.531 0.877 0.456 CB 1.586 58 residues pruned to eliminate duplicates Z: 7 7.528 1.745 0.586 0.738 0.833 0.500 N 1.076 7 residues pruned to eliminate duplicates Z: 6 6.388 1.647 0.905 0.777 0.600 0.600 CA 1.189 6 residues pruned to eliminate duplicates Z: 6 2.116 1.326 0.478 0.302 1.000 0.800 CB 0.602 Z: 14 24.363 1.932 0.649 0.915 1.000 0.846 CB 1.499 14 residues pruned to eliminate duplicates Z: 7 7.973 1.773 0.455 0.729 0.833 0.500 CA 1.232 7 residues pruned to eliminate duplicates Z: 72 42.621 2.184 0.747 0.489 0.873 0.606 CB 1.535 112 residues pruned to eliminate duplicates Z: 22 10.331 1.905 0.543 0.224 0.857 0.429 CB 1.237 22 residues pruned to eliminate duplicates Z: 17 21.465 1.938 0.741 0.839 0.938 0.688 CB 1.267 17 residues pruned to eliminate duplicates Z: 17 24.287 2.140 0.723 0.845 0.938 0.688 CA 1.306 17 residues pruned to eliminate duplicates Z: 11 9.359 1.682 0.491 0.780 1.000 0.500 CA 0.922 11 residues pruned to eliminate duplicates Z: 8 10.156 1.737 0.452 0.884 1.000 0.714 CB 1.100 9 residues pruned to eliminate duplicates Z: 12 15.740 1.861 0.475 0.852 1.000 0.727 CB 1.279 12 residues pruned to eliminate duplicates Z: 16 27.445 2.202 0.823 0.744 0.933 0.733 CA 1.521 16 residues pruned to eliminate duplicates Z: 19 28.199 2.222 0.661 0.874 0.889 0.722 CA 1.474 19 residues pruned to eliminate duplicates Z: 8 6.667 1.702 -0.062 0.841 0.857 0.857 CA 1.374 8 residues pruned to eliminate duplicates Z: 21 10.733 1.809 0.440 0.337 0.900 0.550 CB 1.224 21 residues pruned to eliminate duplicates Z: 10 7.319 1.665 0.442 0.767 0.889 0.444 CA 0.903 10 residues pruned to eliminate duplicates Z: 16 15.880 2.086 0.758 0.500 0.733 0.467 CA 1.525 16 residues pruned to eliminate duplicates Z: 9 8.871 1.598 0.666 0.550 1.000 0.500 CA 1.122 5 residues pruned to eliminate duplicates Z: 6 5.437 1.327 0.856 0.740 0.800 0.600 O 0.996 6 residues pruned to eliminate duplicates Z: 8 2.192 1.238 0.285 0.320 0.714 0.286 C 0.889 Z: 12 29.122 2.222 0.710 0.806 1.000 0.636 CB 1.768 12 residues pruned to eliminate duplicates Z: 21 24.928 2.064 0.684 0.819 0.900 0.700 CA 1.351 21 residues pruned to eliminate duplicates Z: 17 7.233 1.846 -0.018 0.469 1.000 0.375 CB 1.029 17 residues pruned to eliminate duplicates Z: 79 46.683 2.244 0.721 0.540 0.936 0.513 CB 1.407 79 residues pruned to eliminate duplicates Z: 12 22.925 2.109 0.803 0.893 0.909 0.727 CB 1.435 Z: 6 2.037 1.389 0.108 0.435 0.600 0.200 CB 1.055 Z: 11 4.073 1.635 0.754 0.325 0.800 0.300 CB 0.681 Z: 67 39.581 2.145 0.874 0.506 0.894 0.515 CB 1.348 67 residues pruned to eliminate duplicates Z: 12 11.941 1.854 0.337 0.789 1.000 0.727 CB 1.127 12 residues pruned to eliminate duplicates Z: 13 24.514 2.046 0.996 0.857 0.917 0.667 CA 1.393 13 residues pruned to eliminate duplicates Z: 20 22.770 1.815 0.990 0.903 0.895 0.474 CB 1.152 20 residues pruned to eliminate duplicates Z: 38 26.057 1.971 0.727 0.529 0.892 0.541 CB 1.371 38 residues pruned to eliminate duplicates Z: 11 16.554 1.864 0.680 0.902 1.000 1.000 CB 1.192 11 residues pruned to eliminate duplicates Z: 6 6.361 1.386 0.565 0.738 1.000 0.400 C 1.060 Z: 11 3.881 1.484 0.337 0.346 0.700 0.200 CB 1.044 Z: 17 12.301 1.754 0.285 0.869 0.938 0.875 CB 1.063 17 residues pruned to eliminate duplicates Z: 17 16.228 1.882 0.537 0.696 0.875 0.562 CB 1.340 17 residues pruned to eliminate duplicates Z: 12 23.997 2.024 0.917 0.924 0.909 0.545 CB 1.440 12 residues pruned to eliminate duplicates Z: 13 28.579 1.945 1.012 0.924 1.000 0.750 N 1.481 14 residues pruned to eliminate duplicates Z: 17 42.208 2.341 1.146 0.891 1.000 0.812 CB 1.510 17 residues pruned to eliminate duplicates Z: 18 12.350 1.554 0.506 0.854 0.941 0.588 CB 1.005 18 residues pruned to eliminate duplicates Z: 7 2.687 1.387 0.338 0.587 0.833 0.500 CB 0.652 Z: 60 55.495 2.174 0.951 0.674 0.915 0.559 CB 1.584 60 residues pruned to eliminate duplicates Z: 22 12.917 1.910 0.929 0.526 0.667 0.238 CB 1.118 22 residues pruned to eliminate duplicates Z: 18 34.027 2.178 0.882 0.924 0.882 0.706 CA 1.602 18 residues pruned to eliminate duplicates Z: 78 57.566 2.239 0.738 0.680 0.896 0.675 CA 1.594 78 residues pruned to eliminate duplicates Z: 14 22.770 1.914 0.773 0.882 1.000 0.923 CA 1.346 14 residues pruned to eliminate duplicates Z: 77 68.198 2.317 0.926 0.682 0.895 0.645 CA 1.657 77 residues pruned to eliminate duplicates Z: 10 10.094 1.657 0.414 0.723 1.000 0.667 CA 1.174 10 residues pruned to eliminate duplicates Z: 7 5.071 1.767 0.280 0.433 0.833 0.333 N 1.178 7 residues pruned to eliminate duplicates Z: 13 19.886 1.881 0.730 0.887 0.917 0.750 CA 1.388 13 residues pruned to eliminate duplicates Z: 14 23.510 2.053 0.717 0.848 1.000 0.923 CA 1.373 14 residues pruned to eliminate duplicates Z: 6 3.355 1.647 0.373 0.345 0.800 0.400 CB 0.981 Z: 14 23.272 1.950 0.552 0.877 1.000 0.692 CB 1.548 14 residues pruned to eliminate duplicates Z: 6 8.460 1.711 0.371 0.673 1.000 0.400 N 1.376 14 residues pruned to eliminate duplicates Z: 13 18.321 1.865 0.535 0.889 1.000 0.833 CA 1.330 13 residues pruned to eliminate duplicates Z: 20 26.071 2.176 0.578 0.807 0.895 0.632 CA 1.489 20 residues pruned to eliminate duplicates 6 1.651 1.325 0.232 0.432 0.600 0.400 N 0.809 ? Z: 57 28.458 2.033 0.779 0.367 0.839 0.500 CB 1.446 Z: 9 5.851 1.781 0.672 0.510 0.875 0.375 CB 0.786 9 residues pruned to eliminate duplicates Z: 27 24.778 2.104 0.703 0.562 0.885 0.769 CA 1.443 27 residues pruned to eliminate duplicates Z: 33 22.308 2.111 0.755 0.392 0.875 0.688 CB 1.363 33 residues pruned to eliminate duplicates Z: 8 5.018 1.459 0.419 0.687 0.857 0.857 CB 0.900 Z: 7 2.615 1.466 -0.085 0.378 0.833 0.500 CB 1.087 Z: 15 34.409 2.340 0.906 0.931 0.929 0.643 CA 1.552 15 residues pruned to eliminate duplicates Z: 40 27.736 2.101 0.829 0.555 0.769 0.564 CB 1.425 40 residues pruned to eliminate duplicates Z: 11 8.707 1.980 0.089 0.819 1.000 0.800 CA 0.968 11 residues pruned to eliminate duplicates Z: 18 15.216 1.980 0.701 0.468 0.765 0.588 CB 1.479 18 residues pruned to eliminate duplicates Z: 7 5.584 2.026 0.127 0.479 0.833 0.333 CB 1.224 7 residues pruned to eliminate duplicates Z: 20 28.914 2.298 0.974 0.559 0.895 0.526 CA 1.543 20 residues pruned to eliminate duplicates Z: 11 18.918 1.924 0.455 0.898 1.000 0.800 CB 1.528 11 residues pruned to eliminate duplicates Z: 10 14.925 1.930 0.685 0.823 0.889 0.667 CB 1.301 10 residues pruned to eliminate duplicates Z: 42 57.985 2.366 0.950 0.724 0.976 0.561 CA 1.644 42 residues pruned to eliminate duplicates Z: 11 11.512 2.075 0.921 0.742 0.600 0.300 CA 1.226 11 residues pruned to eliminate duplicates Z: 21 18.296 1.963 0.704 0.595 0.800 0.650 CB 1.396 28 residues pruned to eliminate duplicates Z: 7 8.506 1.571 0.798 0.645 1.000 0.167 CB 1.074 Z: 13 13.120 1.776 0.222 0.881 1.000 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 12 18.676 2.135 0.780 0.776 0.909 0.455 CB 1.277 12 residues pruned to eliminate duplicates Z: 7 5.162 1.783 1.731 0.409 0.667 0.500 CB 0.714 Z: 12 22.525 1.906 1.022 0.913 1.000 0.818 CB 1.248 12 residues pruned to eliminate duplicates Z: 14 15.985 2.051 0.969 0.553 0.692 0.615 CB 1.507 14 residues pruned to eliminate duplicates Z: 16 7.256 1.559 0.575 0.474 0.800 0.600 CB 0.979 16 residues pruned to eliminate duplicates Z: 9 11.294 1.717 0.514 0.892 1.000 0.750 CB 1.104 8 residues pruned to eliminate duplicates Z: 23 35.280 2.162 0.799 0.834 0.909 0.591 CA 1.594 23 residues pruned to eliminate duplicates Z: 138 89.491 2.325 0.911 0.654 0.920 0.664 CA 1.621 138 residues pruned to eliminate duplicates Z: 8 5.212 1.720 0.008 0.437 1.000 0.571 CB 1.212 8 residues pruned to eliminate duplicates 6 1.668 1.285 0.664 0.298 0.800 0.400 CB 0.546 ? 7 1.868 1.473 -0.227 0.374 0.833 0.500 CB 0.920 ? Z: 12 14.424 1.903 0.305 0.840 1.000 0.818 CB 1.307 12 residues pruned to eliminate duplicates Z: 12 13.797 1.779 0.474 0.875 0.818 0.545 CB 1.411 12 residues pruned to eliminate duplicates Z: 9 10.794 1.617 0.332 0.840 1.000 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 11 20.040 2.034 0.718 0.757 0.900 0.800 CA 1.603 11 residues pruned to eliminate duplicates Z: 9 4.160 1.705 0.271 0.320 0.750 0.375 CB 1.104 Z: 12 9.840 1.621 0.333 0.848 0.727 0.636 CA 1.400 12 residues pruned to eliminate duplicates Z: 25 19.198 1.890 0.670 0.673 0.833 0.583 CB 1.271 25 residues pruned to eliminate duplicates Z: 9 13.615 2.018 0.618 0.819 1.000 1.000 CB 1.117 9 residues pruned to eliminate duplicates Z: 27 23.965 2.153 0.606 0.515 0.846 0.615 CA 1.582 27 residues pruned to eliminate duplicates Z: 7 8.193 1.799 0.701 0.672 0.833 0.500 CA 1.120 7 residues pruned to eliminate duplicates Z: 42 19.271 1.899 0.457 0.425 0.927 0.488 CB 1.269 42 residues pruned to eliminate duplicates Z: 16 14.142 1.944 0.490 0.677 0.867 0.867 CA 1.236 16 residues pruned to eliminate duplicates Z: 12 14.819 1.804 0.713 0.837 1.000 0.636 CB 1.082 12 residues pruned to eliminate duplicates Z: 6 5.962 1.863 0.024 0.479 1.000 0.600 C 1.428 6 residues pruned to eliminate duplicates Z: 15 30.002 2.065 1.006 0.865 1.000 0.643 CA 1.419 15 residues pruned to eliminate duplicates Z: 7 4.506 1.550 0.061 0.558 0.833 0.667 N 1.268 6 residues pruned to eliminate duplicates Z: 13 16.715 1.811 0.306 0.862 1.000 0.750 CA 1.498 13 residues pruned to eliminate duplicates Z: 26 18.748 1.941 0.389 0.712 0.840 0.800 CB 1.366 26 residues pruned to eliminate duplicates Z: 12 37.671 2.158 1.369 0.936 1.000 0.909 CB 1.547 12 residues pruned to eliminate duplicates Z: 25 34.041 2.306 0.782 0.558 0.958 0.667 CA 1.668 25 residues pruned to eliminate duplicates Z: 45 58.228 2.425 0.792 0.761 0.909 0.705 CA 1.762 45 residues pruned to eliminate duplicates Z: 20 14.773 1.902 0.687 0.436 0.789 0.526 CB 1.430 20 residues pruned to eliminate duplicates Z: 10 6.191 1.639 0.426 0.354 0.778 0.556 CB 1.329 10 residues pruned to eliminate duplicates Z: 9 7.476 1.608 0.314 0.855 1.000 1.000 CB 0.923 9 residues pruned to eliminate duplicates Z: 38 28.236 2.115 0.715 0.460 0.892 0.541 CB 1.495 95 residues pruned to eliminate duplicates Z: 12 10.773 1.683 0.499 0.835 0.909 0.727 CB 1.061 13 residues pruned to eliminate duplicates Z: 17 20.068 1.893 0.507 0.867 1.000 0.812 CB 1.286 17 residues pruned to eliminate duplicates Z: 26 15.672 1.866 0.897 0.387 0.760 0.520 CB 1.313 26 residues pruned to eliminate duplicates Z: 15 21.321 2.047 0.965 0.781 0.857 0.643 CB 1.291 15 residues pruned to eliminate duplicates Z: 12 2.856 1.483 0.191 0.208 1.000 0.455 CB 0.689 12 residues pruned to eliminate duplicates Z: 82 40.923 2.100 0.762 0.494 0.889 0.568 CB 1.390 90 residues pruned to eliminate duplicates Z: 129 87.354 2.300 1.018 0.636 0.891 0.594 CA 1.644 129 residues pruned to eliminate duplicates Z: 12 9.501 2.010 0.779 0.183 0.909 0.364 CB 1.291 4 residues pruned to eliminate duplicates Z: 47 28.883 1.942 0.544 0.680 0.870 0.630 CB 1.384 46 residues pruned to eliminate duplicates Z: 9 5.116 1.407 0.437 0.426 0.875 0.500 CB 1.104 6 1.957 1.065 0.435 0.489 0.800 0.600 N 0.724 ? Z: 51 57.644 2.266 1.036 0.632 0.900 0.500 CB 1.734 37 residues pruned to eliminate duplicates Z: 9 5.107 2.052 0.322 0.307 0.750 0.375 CA 1.100 9 residues pruned to eliminate duplicates Z: 56 54.408 2.296 0.722 0.709 0.945 0.673 CB 1.624 56 residues pruned to eliminate duplicates Z: 19 16.651 1.770 0.999 0.832 0.833 0.278 CB 1.000 19 residues pruned to eliminate duplicates Z: 18 13.076 1.867 0.877 0.292 0.824 0.588 CA 1.388 Z: 15 19.835 2.036 0.951 0.812 0.786 0.286 CB 1.294 15 residues pruned to eliminate duplicates Z: 6 5.714 1.404 0.500 0.821 1.000 0.600 CB 0.918 Z: 18 10.571 1.843 0.318 0.510 0.824 0.235 CB 1.269 18 residues pruned to eliminate duplicates Z: 7 6.756 1.937 0.984 0.375 0.833 0.333 CB 0.984 7 residues pruned to eliminate duplicates Z: 10 9.489 1.973 0.411 0.388 0.889 0.778 CA 1.440 10 residues pruned to eliminate duplicates Z: 20 31.408 2.180 1.151 0.791 0.895 0.632 CB 1.330 20 residues pruned to eliminate duplicates Z: 67 32.598 1.905 0.560 0.625 0.924 0.561 CB 1.298 69 residues pruned to eliminate duplicates Z: 121 80.285 2.251 0.817 0.714 0.925 0.692 CB 1.596 165 residues pruned to eliminate duplicates Z: 101 78.549 2.327 0.962 0.670 0.910 0.640 CA 1.616 152 residues pruned to eliminate duplicates Z: 34 15.666 1.870 0.464 0.393 0.879 0.545 CB 1.270 6 1.307 1.748 0.025 0.217 0.600 0.200 CB 0.759 ? Z: 6 3.659 1.642 0.556 0.495 1.000 1.000 CB 0.644 Z: 7 10.379 1.624 0.694 0.696 1.000 0.667 CA 1.288 7 residues pruned to eliminate duplicates Z: 27 17.511 2.054 0.857 0.412 0.846 0.385 CB 1.167 26 residues pruned to eliminate duplicates Z: 15 19.788 1.938 0.586 0.838 1.000 0.643 CA 1.286 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.898 1.659 0.455 0.489 1.000 1.000 N 1.292 6 residues pruned to eliminate duplicates Z: 6 4.049 1.617 0.356 0.266 0.800 0.800 CA 1.347 Z: 6 5.256 1.628 0.799 0.397 0.800 0.600 CA 1.119 12 residues pruned to eliminate duplicates Z: 46 43.669 2.244 0.896 0.562 0.933 0.644 CA 1.544 46 residues pruned to eliminate duplicates Z: 52 45.934 2.284 0.821 0.589 0.922 0.627 CB 1.541 52 residues pruned to eliminate duplicates Z: 180 103.750 2.324 0.990 0.616 0.922 0.570 CA 1.631 180 residues pruned to eliminate duplicates Z: 43 43.598 2.274 1.019 0.582 0.881 0.690 CB 1.537 43 residues pruned to eliminate duplicates Z: 45 45.274 2.253 0.876 0.562 0.955 0.705 CB 1.594 45 residues pruned to eliminate duplicates Z: 43 46.633 2.278 0.945 0.569 0.952 0.452 CB 1.596 43 residues pruned to eliminate duplicates Z: 50 44.078 2.207 0.775 0.581 0.918 0.694 CB 1.619 50 residues pruned to eliminate duplicates Z: 13 30.187 2.216 1.115 0.826 0.917 0.500 CB 1.530 13 residues pruned to eliminate duplicates Z: 41 47.534 2.313 1.079 0.573 0.900 0.625 CB 1.617 41 residues pruned to eliminate duplicates Z: 65 48.665 2.261 0.886 0.515 0.906 0.625 CB 1.551 65 residues pruned to eliminate duplicates Z: 66 38.748 2.223 0.670 0.515 0.877 0.646 CB 1.454 66 residues pruned to eliminate duplicates Z: 68 48.772 2.231 0.772 0.514 0.985 0.716 CB 1.510 68 residues pruned to eliminate duplicates Z: 64 45.708 2.242 0.765 0.530 0.905 0.651 CB 1.561 64 residues pruned to eliminate duplicates Z: 66 40.192 2.210 0.658 0.483 0.923 0.708 CB 1.500 66 residues pruned to eliminate duplicates Z: 63 42.666 2.232 0.674 0.537 0.935 0.565 CB 1.495 63 residues pruned to eliminate duplicates Z: 27 19.884 2.102 0.553 0.387 0.923 0.577 CB 1.459 27 residues pruned to eliminate duplicates Z: 41 34.646 2.235 0.719 0.485 0.950 0.550 CB 1.524 41 residues pruned to eliminate duplicates Z: 31 17.727 2.030 0.446 0.394 0.967 0.667 CB 1.275 31 residues pruned to eliminate duplicates Z: 29 21.494 2.113 0.543 0.420 0.964 0.643 CB 1.403 29 residues pruned to eliminate duplicates Z: 65 43.867 2.240 0.733 0.505 0.906 0.641 CB 1.550 65 residues pruned to eliminate duplicates Z: 66 42.922 2.218 0.653 0.515 0.938 0.677 CB 1.523 66 residues pruned to eliminate duplicates Z: 65 44.845 2.232 0.732 0.516 0.953 0.656 CB 1.497 65 residues pruned to eliminate duplicates Z: 65 47.217 2.225 0.800 0.535 0.938 0.672 CB 1.519 65 residues pruned to eliminate duplicates Z: 24 16.711 2.024 0.430 0.416 0.957 0.522 CB 1.374 24 residues pruned to eliminate duplicates Z: 66 47.463 2.274 0.764 0.490 0.923 0.662 CB 1.605 67 residues pruned to eliminate duplicates Z: 10 14.564 1.942 0.931 0.737 0.778 0.333 CB 1.345 10 residues pruned to eliminate duplicates Z: 64 38.394 2.184 0.721 0.477 0.889 0.587 CB 1.482 63 residues pruned to eliminate duplicates Z: 11 14.826 1.864 0.371 0.828 1.000 0.500 CB 1.382 11 residues pruned to eliminate duplicates Z: 64 52.579 2.278 0.851 0.541 0.952 0.714 CB 1.585 64 residues pruned to eliminate duplicates Z: 188 86.971 2.234 0.909 0.545 0.888 0.556 CB 1.607 188 residues pruned to eliminate duplicates Z: 12 5.393 1.657 0.229 0.615 0.909 0.364 CB 0.788 7 residues pruned to eliminate duplicates Z: 8 9.712 1.750 0.430 0.829 1.000 0.571 CB 1.104 8 residues pruned to eliminate duplicates Z: 86 73.274 2.257 0.948 0.654 0.941 0.588 CB 1.665 250 residues pruned to eliminate duplicates Z: 12 4.294 1.610 0.238 0.539 0.818 0.364 CB 0.764 Z: 11 8.178 1.507 0.614 0.678 1.000 0.500 CB 0.903 8 residues pruned to eliminate duplicates Z: 8 4.953 1.642 0.439 0.586 0.857 0.714 CB 0.851 8 residues pruned to eliminate duplicates Z: 23 16.560 1.820 0.575 0.551 0.909 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 15 15.860 1.981 0.159 0.726 1.000 0.643 CB 1.506 15 residues pruned to eliminate duplicates Z: 24 17.596 1.851 0.342 0.664 0.957 0.565 CB 1.327 26 residues pruned to eliminate duplicates Z: 15 20.810 1.889 0.491 0.854 1.000 0.643 CB 1.458 14 residues pruned to eliminate duplicates Z: 14 23.329 1.879 0.707 0.913 1.000 0.923 CB 1.428 15 residues pruned to eliminate duplicates Z: 14 19.368 1.938 0.330 0.889 1.000 0.769 CB 1.500 14 residues pruned to eliminate duplicates Z: 48 25.347 1.871 0.554 0.597 0.872 0.660 CB 1.329 22 residues pruned to eliminate duplicates Z: 14 23.075 1.958 0.585 0.892 1.000 0.846 CB 1.482 14 residues pruned to eliminate duplicates Z: 25 18.594 1.848 0.519 0.664 0.875 0.542 CB 1.327 25 residues pruned to eliminate duplicates Z: 41 30.651 1.951 0.608 0.703 0.900 0.700 CB 1.427 40 residues pruned to eliminate duplicates Z: 13 18.914 1.859 0.717 0.796 0.917 0.583 CB 1.440 13 residues pruned to eliminate duplicates Z: 48 24.731 1.873 0.467 0.642 0.915 0.660 CB 1.257 48 residues pruned to eliminate duplicates Z: 97 40.077 1.963 0.640 0.584 0.875 0.594 CB 1.340 47 residues pruned to eliminate duplicates Z: 17 20.108 1.834 0.591 0.735 1.000 0.562 CA 1.394 17 residues pruned to eliminate duplicates Z: 48 25.926 1.912 0.453 0.630 0.915 0.638 CB 1.317 48 residues pruned to eliminate duplicates Z: 47 27.423 1.889 0.628 0.665 0.891 0.413 CB 1.266 47 residues pruned to eliminate duplicates Z: 42 28.680 1.931 0.480 0.681 0.902 0.585 CB 1.470 42 residues pruned to eliminate duplicates Z: 27 22.292 1.924 0.501 0.694 0.923 0.654 CB 1.374 27 residues pruned to eliminate duplicates Z: 44 26.332 1.930 0.478 0.654 0.930 0.581 CB 1.312 44 residues pruned to eliminate duplicates Z: 53 25.142 1.868 0.526 0.603 0.904 0.673 CB 1.227 53 residues pruned to eliminate duplicates Z: 27 21.549 1.913 0.576 0.678 0.885 0.769 CB 1.344 27 residues pruned to eliminate duplicates Z: 38 22.390 1.887 0.497 0.630 0.838 0.568 CA 1.377 38 residues pruned to eliminate duplicates Z: 50 30.295 1.909 0.519 0.678 0.939 0.612 CB 1.350 49 residues pruned to eliminate duplicates Z: 17 26.070 1.970 0.693 0.872 1.000 0.812 CB 1.425 17 residues pruned to eliminate duplicates Z: 27 26.632 1.952 0.622 0.701 0.962 0.731 CB 1.428 27 residues pruned to eliminate duplicates Z: 27 21.687 1.919 0.586 0.662 0.923 0.654 CB 1.304 27 residues pruned to eliminate duplicates Z: 40 29.640 1.963 0.516 0.648 0.974 0.590 CB 1.426 40 residues pruned to eliminate duplicates Z: 40 35.966 1.992 0.677 0.727 0.974 0.641 CB 1.442 40 residues pruned to eliminate duplicates Z: 27 20.470 1.922 0.424 0.645 0.962 0.731 CB 1.332 27 residues pruned to eliminate duplicates Z: 50 24.430 1.866 0.456 0.600 0.898 0.449 CB 1.301 50 residues pruned to eliminate duplicates Z: 47 30.059 1.924 0.615 0.637 0.913 0.630 CB 1.374 47 residues pruned to eliminate duplicates Z: 27 22.532 1.948 0.583 0.664 0.923 0.731 CA 1.334 27 residues pruned to eliminate duplicates Z: 9 6.379 1.722 0.166 0.486 0.875 0.875 CA 1.303 9 residues pruned to eliminate duplicates Z: 46 31.674 1.942 0.567 0.682 0.956 0.667 CB 1.373 46 residues pruned to eliminate duplicates Z: 39 32.098 1.972 0.540 0.726 0.974 0.632 CB 1.437 39 residues pruned to eliminate duplicates Z: 46 30.579 1.945 0.567 0.677 0.889 0.578 CB 1.429 46 residues pruned to eliminate duplicates Z: 60 32.676 1.904 0.606 0.650 0.932 0.525 CB 1.298 61 residues pruned to eliminate duplicates Z: 12 17.439 1.872 0.569 0.899 1.000 0.818 CA 1.280 12 residues pruned to eliminate duplicates Z: 57 26.249 1.930 0.609 0.548 0.857 0.518 CB 1.257 57 residues pruned to eliminate duplicates Z: 13 15.262 1.803 0.908 0.797 0.917 0.667 CA 1.077 13 residues pruned to eliminate duplicates Z: 12 10.816 1.787 0.712 0.775 0.818 0.545 CB 1.022 12 residues pruned to eliminate duplicates Z: 113 43.999 2.025 0.699 0.508 0.875 0.518 CB 1.370 54 residues pruned to eliminate duplicates Z: 11 17.160 1.907 0.767 0.880 1.000 0.400 CB 1.168 11 residues pruned to eliminate duplicates Z: 53 31.407 2.014 0.806 0.571 0.865 0.538 CB 1.293 53 residues pruned to eliminate duplicates Z: 107 38.824 1.835 0.606 0.639 0.915 0.528 CB 1.228 103 residues pruned to eliminate duplicates Z: 12 22.091 1.943 0.838 0.876 1.000 0.818 CB 1.355 12 residues pruned to eliminate duplicates Z: 78 43.928 2.035 0.731 0.560 0.922 0.481 CB 1.455 78 residues pruned to eliminate duplicates Z: 52 33.803 2.040 0.651 0.586 0.941 0.627 CB 1.375 52 residues pruned to eliminate duplicates Z: 52 31.923 2.043 0.627 0.590 0.902 0.588 CB 1.369 52 residues pruned to eliminate duplicates Z: 33 28.951 1.957 0.873 0.732 0.938 0.625 CB 1.209 33 residues pruned to eliminate duplicates Z: 35 25.979 1.879 0.945 0.626 0.882 0.412 CB 1.226 35 residues pruned to eliminate duplicates Z: 53 35.882 1.994 0.905 0.598 0.904 0.615 CB 1.320 53 residues pruned to eliminate duplicates Z: 51 32.902 2.016 0.796 0.573 0.900 0.540 CB 1.331 51 residues pruned to eliminate duplicates Z: 52 31.907 1.975 0.810 0.565 0.863 0.549 CB 1.360 52 residues pruned to eliminate duplicates Z: 53 29.384 1.958 0.634 0.573 0.942 0.481 CB 1.259 53 residues pruned to eliminate duplicates Z: 114 43.689 2.029 0.586 0.494 0.903 0.522 CB 1.423 112 residues pruned to eliminate duplicates Z: 16 18.116 1.824 0.510 0.752 0.933 0.600 CA 1.454 16 residues pruned to eliminate duplicates Z: 34 25.153 1.914 0.682 0.650 0.909 0.515 CB 1.301 34 residues pruned to eliminate duplicates Z: 31 22.627 2.020 0.763 0.470 0.867 0.600 CB 1.380 31 residues pruned to eliminate duplicates Z: 29 25.207 2.091 0.667 0.551 0.893 0.536 CB 1.456 29 residues pruned to eliminate duplicates Z: 30 23.857 2.047 0.733 0.547 0.862 0.517 CB 1.383 30 residues pruned to eliminate duplicates Z: 32 21.834 1.984 0.617 0.502 0.935 0.548 CB 1.303 32 residues pruned to eliminate duplicates Z: 91 45.837 2.101 0.663 0.515 0.933 0.567 CB 1.460 91 residues pruned to eliminate duplicates Z: 46 22.097 1.943 0.754 0.421 0.844 0.356 CB 1.242 46 residues pruned to eliminate duplicates Z: 42 26.616 2.111 0.691 0.522 0.854 0.415 CB 1.335 42 residues pruned to eliminate duplicates Z: 30 22.341 2.018 0.775 0.548 0.862 0.345 CB 1.282 30 residues pruned to eliminate duplicates Z: 54 31.038 1.980 0.786 0.584 0.906 0.566 CB 1.228 54 residues pruned to eliminate duplicates Z: 30 24.463 2.037 0.913 0.541 0.828 0.483 CB 1.352 30 residues pruned to eliminate duplicates Z: 31 26.140 2.052 0.680 0.578 0.900 0.500 CB 1.427 31 residues pruned to eliminate duplicates Z: 21 14.905 2.076 0.692 0.413 0.800 0.450 CB 1.299 21 residues pruned to eliminate duplicates Z: 41 29.193 2.022 0.797 0.501 0.850 0.500 CB 1.492 41 residues pruned to eliminate duplicates Z: 16 13.905 1.934 0.534 0.368 0.933 0.533 CB 1.493 16 residues pruned to eliminate duplicates Z: 31 29.006 2.055 0.884 0.578 0.900 0.500 CB 1.410 31 residues pruned to eliminate duplicates Z: 32 26.305 2.010 0.838 0.550 0.871 0.387 CB 1.398 32 residues pruned to eliminate duplicates Z: 53 28.764 1.998 0.769 0.606 0.808 0.423 CB 1.263 53 residues pruned to eliminate duplicates Z: 14 19.211 2.084 0.879 0.441 0.923 0.538 CB 1.566 14 residues pruned to eliminate duplicates Z: 55 22.240 1.943 0.498 0.392 0.870 0.500 CB 1.340 54 residues pruned to eliminate duplicates Z: 8 10.686 1.709 0.970 0.504 0.857 0.429 CB 1.393 8 residues pruned to eliminate duplicates Z: 30 28.086 2.080 0.711 0.579 0.897 0.552 CB 1.515 30 residues pruned to eliminate duplicates Z: 21 19.366 2.061 0.662 0.465 0.900 0.400 CB 1.456 21 residues pruned to eliminate duplicates Z: 20 18.867 2.085 0.752 0.486 0.789 0.526 CB 1.522 20 residues pruned to eliminate duplicates Z: 17 25.588 2.262 0.898 0.508 0.938 0.625 CB 1.578 17 residues pruned to eliminate duplicates Z: 75 36.683 2.090 0.740 0.431 0.919 0.554 CB 1.371 75 residues pruned to eliminate duplicates Z: 22 20.532 2.015 0.892 0.452 0.810 0.619 CB 1.525 22 residues pruned to eliminate duplicates Z: 71 43.212 2.140 0.736 0.566 0.886 0.514 CB 1.473 71 residues pruned to eliminate duplicates Z: 65 36.333 2.080 0.701 0.446 0.906 0.531 CB 1.496 65 residues pruned to eliminate duplicates Z: 54 36.850 2.133 0.676 0.521 0.906 0.623 CB 1.531 54 residues pruned to eliminate duplicates Z: 89 41.294 2.064 0.605 0.492 0.886 0.500 CB 1.511 90 residues pruned to eliminate duplicates Z: 15 24.098 2.142 1.103 0.771 0.857 0.286 CB 1.312 15 residues pruned to eliminate duplicates Z: 29 24.816 2.182 0.696 0.480 0.821 0.464 CB 1.573 29 residues pruned to eliminate duplicates Z: 37 38.185 2.212 0.772 0.627 0.889 0.528 CB 1.622 37 residues pruned to eliminate duplicates Z: 92 39.449 2.067 0.634 0.484 0.901 0.495 CB 1.380 92 residues pruned to eliminate duplicates Z: 57 33.663 2.143 0.730 0.495 0.839 0.500 CB 1.452 57 residues pruned to eliminate duplicates Z: 64 35.153 2.099 0.637 0.478 0.952 0.508 CB 1.384 64 residues pruned to eliminate duplicates Z: 45 30.677 2.100 0.609 0.512 0.886 0.477 CB 1.526 45 residues pruned to eliminate duplicates Z: 65 34.210 2.069 0.521 0.497 0.922 0.641 CB 1.479 64 residues pruned to eliminate duplicates Z: 14 29.845 2.160 0.957 0.877 0.923 0.692 CA 1.541 14 residues pruned to eliminate duplicates Z: 77 47.240 2.136 0.747 0.535 0.921 0.658 CB 1.523 77 residues pruned to eliminate duplicates Z: 91 42.629 2.080 0.659 0.528 0.867 0.633 CB 1.462 91 residues pruned to eliminate duplicates Z: 65 29.132 2.025 0.541 0.408 0.906 0.516 CB 1.418 65 residues pruned to eliminate duplicates Z: 62 36.013 2.101 0.606 0.493 0.967 0.672 CB 1.423 62 residues pruned to eliminate duplicates Z: 65 30.934 2.073 0.512 0.462 0.891 0.641 CB 1.441 65 residues pruned to eliminate duplicates Z: 62 30.553 2.030 0.579 0.431 0.934 0.607 CB 1.403 62 residues pruned to eliminate duplicates Z: 55 38.640 2.140 0.809 0.556 0.907 0.574 CB 1.418 55 residues pruned to eliminate duplicates Z: 40 38.294 2.201 0.810 0.586 0.897 0.641 CB 1.580 40 residues pruned to eliminate duplicates Z: 63 32.719 2.067 0.615 0.439 0.935 0.613 CB 1.418 63 residues pruned to eliminate duplicates Z: 43 41.515 2.196 0.899 0.574 0.905 0.595 CB 1.581 43 residues pruned to eliminate duplicates Z: 43 22.389 2.031 0.473 0.439 0.881 0.595 CB 1.396 43 residues pruned to eliminate duplicates Z: 51 23.709 1.928 0.519 0.409 0.940 0.520 CB 1.341 51 residues pruned to eliminate duplicates Z: 81 39.067 2.115 0.651 0.476 0.900 0.613 CB 1.424 81 residues pruned to eliminate duplicates Z: 46 32.619 2.111 0.689 0.443 0.956 0.511 CB 1.514 46 residues pruned to eliminate duplicates Z: 64 39.492 2.100 0.679 0.505 0.952 0.556 CB 1.474 64 residues pruned to eliminate duplicates Z: 83 39.964 2.090 0.656 0.483 0.902 0.634 CB 1.437 83 residues pruned to eliminate duplicates Z: 48 41.783 2.152 0.858 0.542 0.936 0.660 CB 1.563 48 residues pruned to eliminate duplicates Z: 57 36.910 2.072 0.634 0.505 0.982 0.625 CB 1.476 57 residues pruned to eliminate duplicates Z: 50 21.296 1.926 0.548 0.378 0.918 0.449 CB 1.265 50 residues pruned to eliminate duplicates Z: 46 40.656 2.178 0.881 0.545 0.911 0.556 CB 1.554 46 residues pruned to eliminate duplicates Z: 32 17.521 1.905 0.585 0.420 0.903 0.581 CB 1.255 41 residues pruned to eliminate duplicates Z: 63 39.390 2.103 0.733 0.483 0.968 0.597 CB 1.442 63 residues pruned to eliminate duplicates Z: 57 48.163 2.186 0.950 0.533 0.929 0.536 CB 1.574 57 residues pruned to eliminate duplicates Z: 64 39.735 2.120 0.665 0.503 0.952 0.571 CB 1.485 64 residues pruned to eliminate duplicates Z: 65 35.638 2.046 0.683 0.469 0.922 0.500 CB 1.449 65 residues pruned to eliminate duplicates Z: 63 34.511 2.095 0.572 0.495 0.935 0.500 CB 1.429 63 residues pruned to eliminate duplicates Z: 27 12.540 1.945 0.492 0.330 0.885 0.538 CB 1.154 27 residues pruned to eliminate duplicates Z: 77 39.486 2.107 0.696 0.450 0.921 0.553 CB 1.449 77 residues pruned to eliminate duplicates Z: 57 37.589 2.133 0.699 0.470 0.982 0.661 CB 1.455 57 residues pruned to eliminate duplicates Z: 113 44.540 2.009 0.674 0.520 0.929 0.491 CB 1.321 113 residues pruned to eliminate duplicates Z: 66 32.938 2.078 0.623 0.479 0.877 0.600 CB 1.411 66 residues pruned to eliminate duplicates Z: 63 34.674 2.102 0.640 0.486 0.903 0.581 CB 1.435 63 residues pruned to eliminate duplicates Z: 23 9.619 1.865 0.199 0.390 1.000 0.545 CB 1.030 23 residues pruned to eliminate duplicates Z: 19 6.552 1.811 0.240 0.255 0.889 0.500 CB 1.025 19 residues pruned to eliminate duplicates Z: 28 9.162 1.794 0.366 0.305 0.815 0.407 CB 1.097 28 residues pruned to eliminate duplicates Z: 23 11.156 1.871 0.411 0.291 0.955 0.636 CB 1.193 23 residues pruned to eliminate duplicates Z: 64 31.106 2.069 0.619 0.480 0.873 0.571 CB 1.367 64 residues pruned to eliminate duplicates Z: 26 9.245 1.891 0.283 0.254 0.800 0.480 CB 1.263 26 residues pruned to eliminate duplicates Z: 64 37.087 2.106 0.646 0.497 0.905 0.556 CB 1.494 64 residues pruned to eliminate duplicates Z: 25 12.632 1.904 0.404 0.381 0.833 0.542 CB 1.314 25 residues pruned to eliminate duplicates Z: 62 36.497 2.108 0.692 0.497 0.902 0.541 CB 1.458 62 residues pruned to eliminate duplicates Z: 24 10.576 1.781 0.327 0.399 0.870 0.696 CB 1.193 25 residues pruned to eliminate duplicates 6 1.896 1.137 0.851 0.226 0.800 0.600 N 0.694 ? Z: 10 9.631 1.738 0.295 0.700 0.889 0.556 CB 1.337 10 residues pruned to eliminate duplicates Z: 62 33.042 2.075 0.715 0.486 0.885 0.590 CB 1.362 62 residues pruned to eliminate duplicates Z: 25 10.074 1.819 0.255 0.323 0.917 0.583 CB 1.194 25 residues pruned to eliminate duplicates Z: 64 37.915 2.088 0.730 0.516 0.873 0.524 CB 1.490 64 residues pruned to eliminate duplicates Z: 27 13.854 1.870 0.446 0.330 0.923 0.462 CB 1.312 27 residues pruned to eliminate duplicates Z: 9 11.582 1.737 0.464 0.779 0.875 0.625 CB 1.438 8 residues pruned to eliminate duplicates Z: 9 14.013 1.775 0.558 0.757 1.000 0.750 CB 1.426 9 residues pruned to eliminate duplicates Z: 29 10.528 1.817 0.485 0.298 0.821 0.429 CB 1.125 29 residues pruned to eliminate duplicates Z: 94 42.348 2.075 0.678 0.510 0.882 0.677 CB 1.417 94 residues pruned to eliminate duplicates Z: 54 48.811 2.246 0.889 0.596 0.906 0.547 CA 1.593 54 residues pruned to eliminate duplicates Z: 133 96.093 2.293 0.990 0.662 0.939 0.598 CA 1.679 133 residues pruned to eliminate duplicates Z: 132 88.663 2.325 0.973 0.639 0.901 0.580 CA 1.645 132 residues pruned to eliminate duplicates Z: 91 74.745 2.291 0.984 0.692 0.889 0.567 CB 1.636 91 residues pruned to eliminate duplicates Z: 132 99.780 2.342 1.081 0.652 0.924 0.534 CB 1.681 132 residues pruned to eliminate duplicates Z: 96 75.135 2.323 1.042 0.628 0.895 0.600 CA 1.611 96 residues pruned to eliminate duplicates Z: 171 93.771 2.299 0.889 0.601 0.924 0.576 CB 1.628 171 residues pruned to eliminate duplicates Z: 131 80.833 2.309 0.860 0.643 0.900 0.638 CA 1.605 131 residues pruned to eliminate duplicates Z: 131 88.238 2.310 0.964 0.639 0.915 0.492 CA 1.636 131 residues pruned to eliminate duplicates Z: 54 47.133 2.290 0.904 0.585 0.887 0.528 CA 1.544 54 residues pruned to eliminate duplicates Z: 55 50.158 2.238 0.972 0.584 0.907 0.556 CB 1.572 55 residues pruned to eliminate duplicates Z: 127 87.493 2.323 0.983 0.651 0.897 0.563 CA 1.640 127 residues pruned to eliminate duplicates Z: 134 88.494 2.311 1.042 0.622 0.902 0.579 CA 1.607 134 residues pruned to eliminate duplicates Z: 132 85.449 2.302 0.985 0.641 0.878 0.580 CA 1.631 132 residues pruned to eliminate duplicates Z: 131 90.624 2.321 0.999 0.659 0.908 0.600 CA 1.629 131 residues pruned to eliminate duplicates Z: 138 85.002 2.298 1.001 0.617 0.883 0.569 CA 1.601 138 residues pruned to eliminate duplicates Z: 54 46.904 2.239 1.015 0.543 0.868 0.453 CB 1.578 54 residues pruned to eliminate duplicates Z: 132 93.755 2.334 1.058 0.650 0.901 0.542 CA 1.646 132 residues pruned to eliminate duplicates Z: 133 83.563 2.313 0.916 0.632 0.894 0.538 CA 1.622 133 residues pruned to eliminate duplicates Z: 138 86.955 2.296 1.004 0.607 0.905 0.533 CA 1.612 138 residues pruned to eliminate duplicates Z: 56 45.113 2.239 0.840 0.535 0.927 0.491 CA 1.538 56 residues pruned to eliminate duplicates Z: 148 96.217 2.306 1.001 0.639 0.905 0.571 CB 1.669 148 residues pruned to eliminate duplicates Z: 32 27.436 2.195 0.865 0.513 0.806 0.613 CA 1.473 32 residues pruned to eliminate duplicates Z: 59 40.523 2.159 0.854 0.539 0.879 0.431 CB 1.455 59 residues pruned to eliminate duplicates Z: 130 87.883 2.320 0.919 0.658 0.930 0.574 CA 1.613 130 residues pruned to eliminate duplicates Z: 54 50.650 2.260 1.076 0.555 0.887 0.453 CA 1.585 54 residues pruned to eliminate duplicates Z: 82 59.203 2.282 0.843 0.592 0.877 0.531 CA 1.634 82 residues pruned to eliminate duplicates Z: 151 92.305 2.273 0.992 0.615 0.900 0.527 CA 1.660 151 residues pruned to eliminate duplicates Z: 135 83.136 2.264 0.991 0.608 0.888 0.530 CA 1.618 135 residues pruned to eliminate duplicates Z: 55 49.743 2.240 1.092 0.569 0.907 0.407 CB 1.490 55 residues pruned to eliminate duplicates Z: 128 87.736 2.339 0.988 0.634 0.890 0.543 CA 1.659 128 residues pruned to eliminate duplicates Z: 130 92.287 2.314 1.061 0.647 0.891 0.504 CA 1.666 130 residues pruned to eliminate duplicates Z: 127 90.881 2.335 0.942 0.652 0.937 0.635 CA 1.654 127 residues pruned to eliminate duplicates Z: 133 92.015 2.314 1.014 0.648 0.917 0.545 CA 1.634 133 residues pruned to eliminate duplicates Z: 110 80.252 2.319 0.980 0.651 0.899 0.596 CA 1.618 110 residues pruned to eliminate duplicates Z: 20 22.738 2.230 0.971 0.490 0.842 0.579 CA 1.423 20 residues pruned to eliminate duplicates Z: 20 21.751 2.245 1.239 0.470 0.789 0.579 CA 1.297 20 residues pruned to eliminate duplicates Z: 33 28.912 2.183 1.092 0.552 0.781 0.438 CB 1.362 33 residues pruned to eliminate duplicates Z: 31 36.909 2.176 1.284 0.598 0.833 0.433 CA 1.481 31 residues pruned to eliminate duplicates Z: 171 92.796 2.285 0.978 0.609 0.888 0.553 CB 1.598 171 residues pruned to eliminate duplicates Z: 130 93.226 2.330 1.095 0.664 0.876 0.597 CA 1.649 130 residues pruned to eliminate duplicates Z: 36 29.083 2.090 0.947 0.472 0.857 0.486 CA 1.449 36 residues pruned to eliminate duplicates Z: 55 44.244 2.268 0.754 0.513 0.944 0.537 CB 1.582 55 residues pruned to eliminate duplicates Z: 108 67.621 2.246 0.905 0.545 0.935 0.598 CB 1.563 108 residues pruned to eliminate duplicates Z: 143 98.436 2.329 1.053 0.656 0.915 0.528 CA 1.633 143 residues pruned to eliminate duplicates Z: 61 45.469 2.277 0.758 0.542 0.900 0.617 CA 1.564 61 residues pruned to eliminate duplicates Z: 153 96.591 2.332 0.966 0.623 0.921 0.612 CA 1.653 153 residues pruned to eliminate duplicates Z: 68 48.518 2.208 0.821 0.524 0.955 0.657 CB 1.507 68 residues pruned to eliminate duplicates Z: 66 43.419 2.190 0.701 0.501 0.938 0.677 CB 1.539 66 residues pruned to eliminate duplicates Z: 65 43.553 2.268 0.622 0.523 0.969 0.641 CB 1.494 65 residues pruned to eliminate duplicates Z: 121 81.624 2.341 0.940 0.644 0.875 0.650 CA 1.639 121 residues pruned to eliminate duplicates Z: 42 42.076 2.309 0.768 0.624 0.927 0.659 CB 1.546 42 residues pruned to eliminate duplicates Z: 43 46.428 2.322 0.852 0.575 0.952 0.619 CA 1.628 43 residues pruned to eliminate duplicates Z: 53 39.140 2.193 0.757 0.520 0.962 0.692 CB 1.437 53 residues pruned to eliminate duplicates Z: 103 63.771 2.234 0.843 0.560 0.931 0.627 CB 1.554 103 residues pruned to eliminate duplicates Z: 51 41.704 2.259 0.628 0.531 0.980 0.720 CA 1.588 51 residues pruned to eliminate duplicates Z: 41 43.951 2.336 0.791 0.586 0.950 0.675 CA 1.609 41 residues pruned to eliminate duplicates Z: 67 49.522 2.272 0.826 0.502 0.909 0.652 CA 1.614 67 residues pruned to eliminate duplicates Z: 66 47.511 2.233 0.691 0.536 0.969 0.646 CB 1.554 66 residues pruned to eliminate duplicates Z: 47 43.732 2.241 0.883 0.527 0.935 0.609 CA 1.591 47 residues pruned to eliminate duplicates Z: 47 49.285 2.273 0.897 0.566 0.957 0.717 CB 1.652 47 residues pruned to eliminate duplicates Z: 81 40.023 2.082 0.796 0.490 0.863 0.562 CB 1.401 81 residues pruned to eliminate duplicates Z: 24 25.336 2.255 0.872 0.501 0.826 0.609 CA 1.513 24 residues pruned to eliminate duplicates Z: 23 26.132 2.252 0.690 0.525 0.864 0.636 CA 1.653 23 residues pruned to eliminate duplicates Z: 22 24.056 2.278 0.635 0.527 0.810 0.524 CA 1.695 22 residues pruned to eliminate duplicates Z: 22 30.396 2.266 0.819 0.580 0.905 0.667 CA 1.647 22 residues pruned to eliminate duplicates Z: 20 8.947 1.681 0.580 0.223 0.789 0.474 CB 1.354 20 residues pruned to eliminate duplicates Z: 107 69.545 2.276 0.914 0.628 0.877 0.660 CA 1.567 107 residues pruned to eliminate duplicates Z: 139 83.863 2.284 0.964 0.611 0.899 0.587 CA 1.594 139 residues pruned to eliminate duplicates Z: 147 83.599 2.282 0.926 0.602 0.904 0.610 CA 1.580 147 residues pruned to eliminate duplicates Z: 44 41.644 2.223 0.851 0.592 0.860 0.605 CA 1.642 Z: 6 5.329 1.774 0.826 0.332 0.800 0.200 CB 1.105 6 residues pruned to eliminate duplicates Z: 133 85.512 2.318 0.907 0.639 0.902 0.667 CA 1.640 177 residues pruned to eliminate duplicates Z: 129 89.632 2.340 0.899 0.664 0.930 0.641 CA 1.647 129 residues pruned to eliminate duplicates Z: 73 63.948 2.330 0.892 0.657 0.889 0.611 CA 1.663 73 residues pruned to eliminate duplicates Z: 77 55.428 2.290 0.837 0.639 0.855 0.566 CA 1.552 77 residues pruned to eliminate duplicates Z: 133 83.039 2.327 0.805 0.637 0.917 0.614 CA 1.652 133 residues pruned to eliminate duplicates Z: 99 77.424 2.348 0.877 0.703 0.939 0.735 CA 1.571 99 residues pruned to eliminate duplicates Z: 41 44.840 2.246 0.927 0.654 0.875 0.600 CA 1.622 Z: 19 26.477 2.140 0.815 0.796 0.889 0.722 CA 1.394 19 residues pruned to eliminate duplicates Z: 135 85.709 2.308 0.961 0.631 0.896 0.657 CA 1.614 176 residues pruned to eliminate duplicates Z: 171 88.585 2.255 0.887 0.590 0.906 0.588 CA 1.617 171 residues pruned to eliminate duplicates Z: 129 87.753 2.332 0.882 0.664 0.914 0.602 CA 1.660 129 residues pruned to eliminate duplicates Z: 72 67.605 2.347 0.861 0.683 0.944 0.634 CA 1.645 72 residues pruned to eliminate duplicates Z: 73 70.423 2.326 0.971 0.677 0.931 0.681 CA 1.653 73 residues pruned to eliminate duplicates Z: 133 89.227 2.323 0.955 0.651 0.902 0.538 CA 1.648 133 residues pruned to eliminate duplicates Z: 106 75.822 2.326 0.861 0.668 0.876 0.667 CA 1.671 106 residues pruned to eliminate duplicates Z: 102 74.651 2.321 0.922 0.632 0.891 0.624 CA 1.651 102 residues pruned to eliminate duplicates Z: 61 72.465 2.382 1.063 0.749 0.917 0.633 CA 1.663 61 residues pruned to eliminate duplicates Z: 133 87.836 2.334 0.926 0.637 0.909 0.629 CA 1.645 133 residues pruned to eliminate duplicates Z: 150 91.689 2.291 1.000 0.619 0.906 0.584 CA 1.617 150 residues pruned to eliminate duplicates Z: 135 78.615 2.293 0.818 0.628 0.896 0.590 CA 1.612 135 residues pruned to eliminate duplicates Z: 197 94.231 2.296 0.845 0.587 0.898 0.592 CA 1.628 197 residues pruned to eliminate duplicates Z: 72 69.860 2.353 0.931 0.677 0.915 0.690 CA 1.694 72 residues pruned to eliminate duplicates Z: 129 77.501 2.311 0.853 0.636 0.891 0.641 CA 1.580 129 residues pruned to eliminate duplicates Z: 133 77.828 2.326 0.805 0.629 0.886 0.591 CA 1.613 133 residues pruned to eliminate duplicates Z: 136 81.737 2.289 0.844 0.626 0.919 0.578 CA 1.612 136 residues pruned to eliminate duplicates Z: 60 64.814 2.307 0.934 0.758 0.932 0.627 CA 1.612 60 residues pruned to eliminate duplicates Z: 73 69.968 2.340 1.013 0.651 0.917 0.597 CA 1.659 73 residues pruned to eliminate duplicates Z: 148 81.204 2.275 0.794 0.600 0.912 0.633 CB 1.637 148 residues pruned to eliminate duplicates Z: 134 86.583 2.319 0.869 0.634 0.932 0.571 CA 1.639 134 residues pruned to eliminate duplicates Z: 135 82.563 2.303 0.916 0.630 0.888 0.604 CA 1.611 135 residues pruned to eliminate duplicates Z: 115 79.414 2.311 0.898 0.659 0.904 0.632 CA 1.620 115 residues pruned to eliminate duplicates Z: 134 78.438 2.304 0.890 0.620 0.865 0.556 CA 1.613 134 residues pruned to eliminate duplicates Z: 134 81.324 2.306 0.866 0.628 0.887 0.586 CA 1.637 134 residues pruned to eliminate duplicates Z: 69 74.225 2.359 1.010 0.701 0.941 0.647 CA 1.679 69 residues pruned to eliminate duplicates Z: 128 88.740 2.345 0.955 0.651 0.898 0.606 CA 1.662 128 residues pruned to eliminate duplicates Z: 136 89.239 2.303 0.963 0.633 0.926 0.630 CA 1.618 136 residues pruned to eliminate duplicates Z: 103 85.374 2.339 0.943 0.667 0.931 0.598 CA 1.712 103 residues pruned to eliminate duplicates Z: 97 83.267 2.361 1.007 0.660 0.917 0.604 CA 1.686 97 residues pruned to eliminate duplicates Z: 134 90.295 2.324 0.969 0.630 0.925 0.624 CA 1.637 134 residues pruned to eliminate duplicates Z: 136 90.570 2.294 1.028 0.624 0.911 0.578 CA 1.637 136 residues pruned to eliminate duplicates Z: 67 77.123 2.377 1.042 0.724 0.939 0.652 CA 1.701 67 residues pruned to eliminate duplicates Z: 107 83.533 2.343 0.987 0.649 0.925 0.642 CA 1.641 107 residues pruned to eliminate duplicates Z: 114 89.700 2.328 1.038 0.671 0.912 0.531 CA 1.666 114 residues pruned to eliminate duplicates Z: 176 98.620 2.321 0.953 0.612 0.897 0.571 CA 1.648 176 residues pruned to eliminate duplicates Z: 172 93.210 2.291 0.933 0.595 0.901 0.608 CA 1.632 172 residues pruned to eliminate duplicates Z: 72 73.867 2.323 1.018 0.665 0.944 0.563 CA 1.700 72 residues pruned to eliminate duplicates Z: 134 92.101 2.323 0.993 0.628 0.925 0.541 CA 1.654 134 residues pruned to eliminate duplicates Z: 135 84.925 2.299 0.885 0.624 0.940 0.590 CA 1.602 135 residues pruned to eliminate duplicates Z: 111 85.227 2.339 0.882 0.691 0.936 0.700 CA 1.655 111 residues pruned to eliminate duplicates Z: 134 88.031 2.323 0.885 0.639 0.932 0.647 CA 1.641 134 residues pruned to eliminate duplicates Z: 71 71.309 2.334 0.996 0.685 0.929 0.671 CA 1.663 71 residues pruned to eliminate duplicates Z: 73 52.328 2.221 0.810 0.605 0.861 0.472 CB 1.611 73 residues pruned to eliminate duplicates Z: 129 90.596 2.334 0.972 0.664 0.914 0.594 CA 1.636 129 residues pruned to eliminate duplicates Z: 130 90.187 2.323 0.959 0.664 0.938 0.620 CA 1.598 130 residues pruned to eliminate duplicates Z: 126 83.886 2.320 0.892 0.642 0.896 0.544 CA 1.672 126 residues pruned to eliminate duplicates Z: 130 96.472 2.337 1.062 0.652 0.930 0.566 CA 1.644 130 residues pruned to eliminate duplicates Z: 73 70.507 2.361 0.957 0.674 0.917 0.625 CA 1.671 73 residues pruned to eliminate duplicates Z: 74 68.107 2.300 0.856 0.686 0.932 0.575 CA 1.691 74 residues pruned to eliminate duplicates Z: 137 86.249 2.297 1.026 0.620 0.882 0.596 CA 1.608 137 residues pruned to eliminate duplicates Z: 133 90.879 2.336 0.949 0.634 0.932 0.545 CA 1.644 133 residues pruned to eliminate duplicates Z: 20 33.837 2.359 0.899 0.632 0.895 0.474 CA 1.711 20 residues pruned to eliminate duplicates Z: 160 88.231 2.296 0.833 0.615 0.918 0.604 CA 1.623 160 residues pruned to eliminate duplicates Z: 52 52.536 2.287 0.931 0.652 0.922 0.647 CA 1.568 52 residues pruned to eliminate duplicates Z: 166 90.481 2.271 0.966 0.593 0.903 0.558 CB 1.598 166 residues pruned to eliminate duplicates Z: 135 90.828 2.323 0.994 0.633 0.910 0.590 CA 1.641 135 residues pruned to eliminate duplicates Z: 119 86.530 2.353 0.919 0.670 0.898 0.576 CA 1.678 119 residues pruned to eliminate duplicates Z: 123 85.981 2.345 0.993 0.621 0.910 0.574 CA 1.633 123 residues pruned to eliminate duplicates Z: 132 87.181 2.322 0.900 0.642 0.924 0.550 CA 1.637 132 residues pruned to eliminate duplicates Z: 146 84.159 2.289 0.938 0.605 0.897 0.579 CA 1.590 146 residues pruned to eliminate duplicates Z: 106 86.543 2.335 1.002 0.656 0.943 0.581 CA 1.657 106 residues pruned to eliminate duplicates Z: 93 76.409 2.332 1.037 0.648 0.902 0.652 CA 1.620 93 residues pruned to eliminate duplicates Z: 124 88.851 2.330 0.975 0.648 0.911 0.610 CA 1.665 124 residues pruned to eliminate duplicates Z: 134 87.822 2.282 0.980 0.620 0.902 0.564 CA 1.668 134 residues pruned to eliminate duplicates Z: 102 82.638 2.302 0.991 0.686 0.931 0.604 CA 1.625 102 residues pruned to eliminate duplicates Z: 82 57.664 2.248 0.881 0.596 0.889 0.556 CA 1.556 82 residues pruned to eliminate duplicates Z: 55 51.374 2.256 0.972 0.580 0.926 0.574 CA 1.572 55 residues pruned to eliminate duplicates Z: 138 82.074 2.292 1.004 0.612 0.876 0.511 CA 1.567 138 residues pruned to eliminate duplicates Z: 85 67.948 2.253 0.993 0.596 0.917 0.583 CA 1.643 85 residues pruned to eliminate duplicates Z: 96 61.208 2.191 0.760 0.655 0.905 0.695 CA 1.558 96 residues pruned to eliminate duplicates Z: 190 85.582 2.193 0.839 0.604 0.915 0.624 CB 1.527 190 residues pruned to eliminate duplicates Z: 129 71.432 2.160 0.778 0.654 0.906 0.633 CB 1.572 129 residues pruned to eliminate duplicates Z: 101 59.058 2.240 0.777 0.600 0.860 0.610 CB 1.570 101 residues pruned to eliminate duplicates Z: 113 69.671 2.143 0.889 0.698 0.929 0.661 CB 1.462 113 residues pruned to eliminate duplicates Z: 129 72.397 2.169 0.842 0.640 0.906 0.656 CA 1.550 129 residues pruned to eliminate duplicates Z: 106 61.102 2.084 0.857 0.652 0.933 0.590 CB 1.433 106 residues pruned to eliminate duplicates Z: 144 73.151 2.276 0.761 0.552 0.909 0.580 CB 1.596 144 residues pruned to eliminate duplicates Z: 82 59.546 2.256 0.877 0.562 0.901 0.494 CA 1.633 82 residues pruned to eliminate duplicates Z: 80 62.096 2.295 0.837 0.622 0.886 0.608 CB 1.666 80 residues pruned to eliminate duplicates Z: 126 78.722 2.192 0.887 0.670 0.936 0.696 CB 1.553 126 residues pruned to eliminate duplicates Z: 100 60.772 2.070 0.920 0.684 0.899 0.586 CB 1.444 100 residues pruned to eliminate duplicates Z: 124 77.983 2.176 0.911 0.675 0.935 0.659 CB 1.539 124 residues pruned to eliminate duplicates Z: 146 73.135 2.276 0.775 0.537 0.890 0.579 CB 1.630 146 residues pruned to eliminate duplicates Z: 170 78.023 2.165 0.869 0.586 0.888 0.615 CB 1.538 170 residues pruned to eliminate duplicates Z: 266 108.809 2.290 0.769 0.601 0.917 0.630 CA 1.634 241 residues pruned to eliminate duplicates Z: 18 26.907 1.976 0.855 0.729 1.000 0.706 CA 1.450 18 residues pruned to eliminate duplicates Z: 194 84.231 2.200 0.762 0.592 0.927 0.591 CB 1.544 194 residues pruned to eliminate duplicates Z: 93 69.579 2.281 0.950 0.634 0.870 0.652 CA 1.654 93 residues pruned to eliminate duplicates Z: 68 50.193 2.146 0.706 0.645 0.925 0.672 CA 1.581 68 residues pruned to eliminate duplicates Z: 198 80.645 2.167 0.800 0.566 0.904 0.584 CB 1.529 198 residues pruned to eliminate duplicates Z: 127 72.356 2.168 0.892 0.649 0.889 0.532 CB 1.539 127 residues pruned to eliminate duplicates Z: 108 63.492 2.195 0.789 0.620 0.897 0.626 CB 1.556 108 residues pruned to eliminate duplicates Z: 91 62.500 2.105 0.877 0.702 0.922 0.633 CB 1.503 91 residues pruned to eliminate duplicates Z: 54 47.923 2.319 0.771 0.571 0.887 0.585 CB 1.687 54 residues pruned to eliminate duplicates Z: 172 79.004 2.211 0.776 0.578 0.895 0.620 CB 1.594 172 residues pruned to eliminate duplicates Z: 126 76.418 2.202 0.883 0.655 0.920 0.664 CB 1.552 126 residues pruned to eliminate duplicates Z: 112 70.057 2.163 0.814 0.703 0.928 0.676 CB 1.518 112 residues pruned to eliminate duplicates Z: 54 46.372 2.259 0.855 0.543 0.906 0.566 CA 1.609 54 residues pruned to eliminate duplicates Z: 78 59.538 2.328 0.803 0.621 0.870 0.675 CA 1.657 78 residues pruned to eliminate duplicates Z: 112 64.548 2.149 0.743 0.695 0.928 0.640 CB 1.475 112 residues pruned to eliminate duplicates Z: 106 50.985 2.244 0.691 0.475 0.867 0.467 CB 1.551 106 residues pruned to eliminate duplicates Z: 165 79.920 2.180 0.860 0.586 0.915 0.640 CB 1.550 165 residues pruned to eliminate duplicates Z: 106 68.803 2.197 0.823 0.660 0.952 0.705 CA 1.518 106 residues pruned to eliminate duplicates Z: 50 36.742 2.126 0.785 0.559 0.878 0.592 CB 1.488 50 residues pruned to eliminate duplicates Z: 121 75.167 2.169 0.873 0.668 0.958 0.667 CB 1.509 121 residues pruned to eliminate duplicates Z: 94 65.707 2.241 0.976 0.605 0.871 0.538 CB 1.599 94 residues pruned to eliminate duplicates Z: 161 77.413 2.256 0.835 0.568 0.875 0.581 CB 1.581 161 residues pruned to eliminate duplicates Z: 38 33.855 2.310 0.864 0.475 0.811 0.622 CB 1.636 38 residues pruned to eliminate duplicates Z: 115 64.347 2.258 0.775 0.504 0.895 0.579 CB 1.673 115 residues pruned to eliminate duplicates Z: 81 61.303 2.271 0.928 0.605 0.875 0.588 CB 1.619 81 residues pruned to eliminate duplicates Z: 46 41.524 2.310 0.837 0.618 0.844 0.400 CB 1.545 46 residues pruned to eliminate duplicates Z: 128 73.665 2.181 0.926 0.649 0.890 0.598 CB 1.522 136 residues pruned to eliminate duplicates Z: 12 24.754 2.210 0.643 0.891 1.000 0.818 CB 1.478 12 residues pruned to eliminate duplicates Z: 84 58.156 2.240 0.827 0.597 0.892 0.578 CA 1.594 84 residues pruned to eliminate duplicates Z: 79 60.928 2.302 0.961 0.627 0.833 0.526 CB 1.628 79 residues pruned to eliminate duplicates Z: 284 113.572 2.234 0.856 0.623 0.908 0.668 CB 1.596 284 residues pruned to eliminate duplicates Z: 54 48.738 2.316 0.911 0.541 0.868 0.491 CB 1.673 54 residues pruned to eliminate duplicates Z: 32 28.915 2.270 0.867 0.522 0.742 0.581 CB 1.616 32 residues pruned to eliminate duplicates Z: 75 62.370 2.276 0.913 0.606 0.919 0.581 CB 1.638 75 residues pruned to eliminate duplicates Z: 192 88.208 2.201 0.837 0.595 0.942 0.602 CB 1.531 192 residues pruned to eliminate duplicates Z: 42 28.701 2.195 0.841 0.393 0.780 0.439 CB 1.591 42 residues pruned to eliminate duplicates Z: 105 68.611 2.214 0.902 0.655 0.894 0.625 CB 1.548 105 residues pruned to eliminate duplicates Z: 33 33.332 2.263 0.877 0.538 0.812 0.438 CB 1.646 33 residues pruned to eliminate duplicates Z: 105 68.013 2.223 0.801 0.659 0.923 0.606 CB 1.557 105 residues pruned to eliminate duplicates Z: 207 86.786 2.252 0.747 0.540 0.903 0.578 CA 1.636 207 residues pruned to eliminate duplicates Z: 30 37.417 2.334 0.874 0.544 0.931 0.483 CB 1.634 30 residues pruned to eliminate duplicates Z: 81 59.490 2.264 0.840 0.599 0.900 0.500 CB 1.614 81 residues pruned to eliminate duplicates Z: 105 70.471 2.207 0.969 0.662 0.885 0.519 CB 1.547 105 residues pruned to eliminate duplicates Z: 35 30.179 2.333 0.813 0.511 0.824 0.471 CB 1.470 35 residues pruned to eliminate duplicates Z: 129 73.564 2.176 0.849 0.653 0.906 0.570 CB 1.546 129 residues pruned to eliminate duplicates Z: 35 33.290 2.239 0.940 0.491 0.853 0.441 CB 1.556 35 residues pruned to eliminate duplicates Z: 83 61.571 2.262 0.968 0.597 0.866 0.585 CB 1.609 83 residues pruned to eliminate duplicates Z: 172 78.629 2.143 0.849 0.573 0.924 0.573 CB 1.530 172 residues pruned to eliminate duplicates Z: 21 24.719 2.238 1.004 0.460 0.750 0.550 CA 1.712 21 residues pruned to eliminate duplicates Z: 132 75.667 2.253 0.892 0.590 0.893 0.595 CB 1.593 132 residues pruned to eliminate duplicates Z: 104 53.695 2.226 0.761 0.496 0.883 0.592 CB 1.533 104 residues pruned to eliminate duplicates Z: 175 91.131 2.185 0.951 0.623 0.920 0.557 CB 1.570 175 residues pruned to eliminate duplicates Z: 89 52.934 2.227 0.775 0.460 0.920 0.557 CB 1.616 89 residues pruned to eliminate duplicates Z: 95 55.696 2.273 0.769 0.510 0.894 0.585 CB 1.583 95 residues pruned to eliminate duplicates Z: 70 46.197 2.235 0.795 0.473 0.913 0.580 CA 1.560 70 residues pruned to eliminate duplicates Z: 160 85.321 2.274 0.843 0.590 0.918 0.616 CB 1.614 160 residues pruned to eliminate duplicates Z: 93 54.668 2.280 0.738 0.527 0.902 0.587 CB 1.552 93 residues pruned to eliminate duplicates Z: 68 46.070 2.225 0.765 0.486 0.925 0.582 CB 1.571 68 residues pruned to eliminate duplicates Z: 69 44.638 2.235 0.696 0.456 0.941 0.500 CB 1.587 69 residues pruned to eliminate duplicates Z: 99 60.662 2.289 0.793 0.501 0.918 0.622 CB 1.624 99 residues pruned to eliminate duplicates Z: 66 41.229 2.269 0.656 0.473 0.877 0.538 CA 1.596 66 residues pruned to eliminate duplicates Z: 14 32.465 2.324 1.083 0.674 0.923 0.615 CA 1.716 14 residues pruned to eliminate duplicates Z: 21 29.334 2.354 0.670 0.572 0.950 0.500 CA 1.639 21 residues pruned to eliminate duplicates Z: 57 44.955 2.285 0.840 0.472 0.946 0.607 CA 1.552 57 residues pruned to eliminate duplicates Z: 66 43.357 2.218 0.687 0.485 0.923 0.600 CA 1.581 66 residues pruned to eliminate duplicates Z: 65 50.489 2.285 0.720 0.519 0.969 0.656 CA 1.626 65 residues pruned to eliminate duplicates Z: 31 28.130 2.215 0.759 0.455 0.833 0.500 CA 1.658 31 residues pruned to eliminate duplicates Z: 65 43.784 2.253 0.613 0.482 0.969 0.656 CB 1.583 65 residues pruned to eliminate duplicates Z: 68 43.528 2.207 0.631 0.473 0.955 0.582 CA 1.588 68 residues pruned to eliminate duplicates Z: 140 68.660 2.203 0.825 0.529 0.892 0.568 CA 1.578 140 residues pruned to eliminate duplicates Z: 45 31.856 2.230 0.710 0.384 0.932 0.636 CA 1.529 45 residues pruned to eliminate duplicates Z: 73 39.754 2.177 0.600 0.471 0.917 0.708 CA 1.510 73 residues pruned to eliminate duplicates Z: 54 39.242 2.221 0.695 0.465 0.943 0.585 CB 1.572 54 residues pruned to eliminate duplicates Z: 62 45.871 2.276 0.713 0.480 0.951 0.590 CA 1.617 62 residues pruned to eliminate duplicates Z: 173 85.216 2.195 0.847 0.619 0.936 0.703 CA 1.530 173 residues pruned to eliminate duplicates Z: 93 57.693 2.272 0.749 0.501 0.924 0.609 CB 1.637 93 residues pruned to eliminate duplicates Z: 65 48.477 2.281 0.784 0.498 0.938 0.625 CA 1.591 65 residues pruned to eliminate duplicates Z: 50 48.128 2.353 0.846 0.526 0.980 0.776 CA 1.575 50 residues pruned to eliminate duplicates Z: 56 44.918 2.307 0.774 0.477 0.982 0.655 CA 1.543 56 residues pruned to eliminate duplicates Z: 40 30.245 2.149 0.656 0.458 0.923 0.615 CB 1.540 40 residues pruned to eliminate duplicates Z: 193 92.706 2.221 0.899 0.607 0.922 0.635 CA 1.555 190 residues pruned to eliminate duplicates Z: 13 18.345 2.059 0.463 0.815 1.000 0.833 CA 1.336 13 residues pruned to eliminate duplicates Z: 57 40.063 2.171 0.742 0.450 0.964 0.589 CB 1.544 57 residues pruned to eliminate duplicates Z: 190 93.107 2.215 0.889 0.598 0.947 0.630 CA 1.557 190 residues pruned to eliminate duplicates Z: 52 32.497 2.053 0.816 0.396 0.922 0.471 CB 1.479 52 residues pruned to eliminate duplicates Z: 54 45.504 2.276 0.819 0.486 0.925 0.547 CA 1.656 54 residues pruned to eliminate duplicates Z: 86 52.335 2.254 0.756 0.493 0.918 0.612 CB 1.575 86 residues pruned to eliminate duplicates Z: 92 53.279 2.284 0.777 0.485 0.912 0.571 CB 1.531 92 residues pruned to eliminate duplicates Z: 64 42.953 2.204 0.839 0.460 0.905 0.540 CB 1.537 64 residues pruned to eliminate duplicates Z: 42 38.803 2.233 1.027 0.438 0.902 0.488 CA 1.581 42 residues pruned to eliminate duplicates Z: 131 75.706 2.278 0.757 0.602 0.931 0.662 CB 1.616 131 residues pruned to eliminate duplicates Z: 66 43.481 2.236 0.758 0.482 0.908 0.631 CA 1.540 66 residues pruned to eliminate duplicates Z: 19 10.386 1.915 0.630 0.430 0.722 0.500 CA 1.168 19 residues pruned to eliminate duplicates Z: 97 54.583 2.264 0.754 0.481 0.917 0.573 CB 1.561 97 residues pruned to eliminate duplicates Z: 191 83.233 2.197 0.818 0.596 0.916 0.637 CB 1.506 190 residues pruned to eliminate duplicates Z: 6 12.030 1.959 0.787 0.423 1.000 0.800 CA 1.665 6 residues pruned to eliminate duplicates Z: 136 75.665 2.285 0.855 0.551 0.904 0.674 CA 1.618 136 residues pruned to eliminate duplicates Z: 192 88.458 2.198 0.833 0.597 0.942 0.670 CB 1.537 196 residues pruned to eliminate duplicates Z: 6 7.148 2.014 0.877 0.449 0.800 0.400 CB 1.113 6 residues pruned to eliminate duplicates Z: 32 14.586 1.959 0.444 0.297 0.871 0.548 CB 1.334 32 residues pruned to eliminate duplicates Z: 44 29.177 2.147 0.664 0.445 0.884 0.581 CB 1.491 44 residues pruned to eliminate duplicates Z: 109 49.565 2.215 0.736 0.458 0.861 0.565 CB 1.503 109 residues pruned to eliminate duplicates Z: 89 54.701 2.237 0.825 0.495 0.898 0.591 CB 1.599 89 residues pruned to eliminate duplicates Z: 72 36.074 2.170 0.573 0.427 0.930 0.493 CB 1.455 72 residues pruned to eliminate duplicates Z: 65 46.478 2.261 0.686 0.512 0.953 0.750 CA 1.579 65 residues pruned to eliminate duplicates Z: 70 44.630 2.175 0.796 0.484 0.913 0.609 CB 1.531 70 residues pruned to eliminate duplicates Z: 45 30.175 2.135 0.701 0.445 0.909 0.545 CB 1.458 45 residues pruned to eliminate duplicates Z: 66 44.581 2.212 0.758 0.519 0.892 0.554 CB 1.564 66 residues pruned to eliminate duplicates Z: 89 58.130 2.251 0.755 0.558 0.932 0.625 CA 1.591 89 residues pruned to eliminate duplicates Z: 63 51.393 2.276 0.880 0.515 0.919 0.597 CB 1.634 63 residues pruned to eliminate duplicates Z: 58 34.498 2.173 0.725 0.429 0.895 0.544 CB 1.466 58 residues pruned to eliminate duplicates Z: 194 87.601 2.196 0.890 0.581 0.912 0.591 CB 1.541 194 residues pruned to eliminate duplicates Z: 45 27.749 2.111 0.651 0.452 0.864 0.500 CB 1.460 45 residues pruned to eliminate duplicates Z: 44 32.499 2.145 0.780 0.481 0.884 0.512 CB 1.498 44 residues pruned to eliminate duplicates Z: 94 65.828 2.301 0.827 0.531 0.968 0.667 CA 1.626 94 residues pruned to eliminate duplicates Z: 33 16.863 1.948 0.474 0.333 0.906 0.500 CB 1.374 33 residues pruned to eliminate duplicates Z: 36 18.465 1.940 0.610 0.347 0.857 0.514 CB 1.375 36 residues pruned to eliminate duplicates Z: 132 83.098 2.271 0.936 0.650 0.916 0.649 CB 1.567 132 residues pruned to eliminate duplicates Z: 100 79.793 2.282 0.906 0.701 0.939 0.646 CB 1.634 100 residues pruned to eliminate duplicates Z: 91 80.717 2.321 0.999 0.701 0.922 0.644 CB 1.656 91 residues pruned to eliminate duplicates Z: 37 39.868 2.255 0.986 0.605 0.861 0.556 CB 1.559 37 residues pruned to eliminate duplicates Z: 113 80.217 2.291 0.877 0.694 0.946 0.661 CB 1.559 113 residues pruned to eliminate duplicates Z: 114 81.588 2.293 0.927 0.694 0.929 0.673 CB 1.566 114 residues pruned to eliminate duplicates Z: 91 78.194 2.315 0.920 0.724 0.944 0.622 CB 1.604 91 residues pruned to eliminate duplicates Z: 131 81.149 2.279 0.872 0.657 0.915 0.692 CB 1.575 132 residues pruned to eliminate duplicates Z: 20 40.597 2.237 1.121 0.796 1.000 0.737 CB 1.514 20 residues pruned to eliminate duplicates Z: 103 72.118 2.261 0.810 0.690 0.912 0.618 CB 1.608 103 residues pruned to eliminate duplicates Z: 68 71.905 2.314 1.024 0.686 0.940 0.657 CA 1.681 68 residues pruned to eliminate duplicates Z: 120 85.938 2.277 0.974 0.688 0.950 0.647 CB 1.554 120 residues pruned to eliminate duplicates Z: 92 78.479 2.312 0.911 0.710 0.945 0.637 CA 1.628 92 residues pruned to eliminate duplicates Z: 116 72.889 2.271 0.868 0.671 0.887 0.583 CB 1.542 116 residues pruned to eliminate duplicates Z: 91 84.171 2.351 0.968 0.720 0.944 0.678 CB 1.665 91 residues pruned to eliminate duplicates Z: 116 66.658 2.221 0.857 0.625 0.870 0.583 CB 1.541 116 residues pruned to eliminate duplicates Z: 92 79.765 2.309 0.971 0.707 0.934 0.648 CB 1.629 92 residues pruned to eliminate duplicates Z: 109 78.961 2.312 0.769 0.709 0.944 0.694 CB 1.626 109 residues pruned to eliminate duplicates Z: 132 81.826 2.263 0.875 0.656 0.908 0.557 CB 1.605 132 residues pruned to eliminate duplicates Z: 119 84.489 2.293 0.894 0.690 0.949 0.636 CB 1.586 119 residues pruned to eliminate duplicates Z: 90 80.472 2.322 0.949 0.712 0.944 0.652 CB 1.648 90 residues pruned to eliminate duplicates Z: 113 82.637 2.313 0.953 0.697 0.920 0.643 CB 1.571 113 residues pruned to eliminate duplicates Z: 96 77.709 2.283 0.928 0.697 0.926 0.653 CB 1.633 96 residues pruned to eliminate duplicates Z: 114 81.855 2.296 0.947 0.695 0.929 0.628 CB 1.552 114 residues pruned to eliminate duplicates Z: 127 82.232 2.263 0.971 0.668 0.897 0.571 CB 1.569 127 residues pruned to eliminate duplicates Z: 114 86.383 2.303 1.015 0.679 0.929 0.593 CB 1.598 121 residues pruned to eliminate duplicates Z: 14 19.542 2.004 0.540 0.725 1.000 0.769 CB 1.434 14 residues pruned to eliminate duplicates Z: 125 82.450 2.292 0.820 0.676 0.935 0.621 CB 1.613 125 residues pruned to eliminate duplicates Z: 111 85.126 2.314 0.992 0.704 0.918 0.582 CB 1.593 111 residues pruned to eliminate duplicates Z: 118 81.898 2.282 0.922 0.672 0.932 0.667 CB 1.580 118 residues pruned to eliminate duplicates Z: 132 79.424 2.274 0.885 0.631 0.916 0.550 CB 1.563 132 residues pruned to eliminate duplicates Z: 130 82.568 2.299 0.879 0.640 0.922 0.612 CB 1.600 130 residues pruned to eliminate duplicates Z: 130 86.706 2.296 0.967 0.658 0.922 0.628 CB 1.583 130 residues pruned to eliminate duplicates Z: 12 24.786 2.088 0.682 0.913 1.000 0.727 CA 1.506 12 residues pruned to eliminate duplicates Z: 114 81.479 2.296 0.896 0.701 0.929 0.611 CB 1.578 114 residues pruned to eliminate duplicates Z: 110 80.214 2.279 1.003 0.654 0.917 0.587 CB 1.591 110 residues pruned to eliminate duplicates Z: 91 78.364 2.323 0.919 0.724 0.944 0.667 CB 1.603 91 residues pruned to eliminate duplicates Z: 96 65.652 2.240 0.757 0.650 0.958 0.695 CB 1.553 96 residues pruned to eliminate duplicates Z: 61 55.804 2.260 0.872 0.651 0.917 0.550 CB 1.614 61 residues pruned to eliminate duplicates Z: 96 63.661 2.259 0.792 0.630 0.895 0.632 CB 1.596 96 residues pruned to eliminate duplicates Z: 61 63.974 2.279 1.054 0.696 0.917 0.617 CB 1.610 61 residues pruned to eliminate duplicates Z: 81 64.504 2.279 0.858 0.674 0.938 0.675 CB 1.547 81 residues pruned to eliminate duplicates Z: 54 61.910 2.338 0.846 0.751 0.962 0.679 CA 1.637 54 residues pruned to eliminate duplicates Z: 78 67.714 2.311 0.892 0.682 0.935 0.636 CB 1.597 78 residues pruned to eliminate duplicates Z: 63 59.587 2.314 0.851 0.707 0.903 0.661 CB 1.621 63 residues pruned to eliminate duplicates Z: 97 77.992 2.304 0.952 0.692 0.927 0.615 CB 1.602 97 residues pruned to eliminate duplicates Z: 79 65.925 2.294 0.822 0.678 0.949 0.654 CB 1.598 79 residues pruned to eliminate duplicates Z: 65 57.337 2.280 0.834 0.687 0.906 0.703 CA 1.593 65 residues pruned to eliminate duplicates Z: 93 57.476 2.225 0.764 0.592 0.913 0.587 CB 1.532 93 residues pruned to eliminate duplicates Z: 97 66.341 2.222 0.824 0.635 0.938 0.667 CB 1.570 96 residues pruned to eliminate duplicates Z: 15 35.046 2.341 1.008 0.788 1.000 0.643 CA 1.547 15 residues pruned to eliminate duplicates Z: 130 85.255 2.284 0.961 0.655 0.930 0.535 CB 1.559 130 residues pruned to eliminate duplicates Z: 23 28.680 2.210 0.699 0.750 0.955 0.636 CA 1.365 23 residues pruned to eliminate duplicates Z: 115 85.830 2.308 0.980 0.699 0.947 0.588 CB 1.549 115 residues pruned to eliminate duplicates Z: 142 78.569 2.224 0.939 0.617 0.894 0.589 CB 1.537 142 residues pruned to eliminate duplicates Z: 92 76.381 2.309 0.987 0.687 0.901 0.571 CA 1.631 92 residues pruned to eliminate duplicates Z: 83 62.156 2.264 0.817 0.666 0.902 0.634 CB 1.586 83 residues pruned to eliminate duplicates Z: 88 74.006 2.307 0.963 0.679 0.931 0.552 CB 1.597 88 residues pruned to eliminate duplicates Z: 110 77.351 2.249 0.892 0.686 0.927 0.550 CB 1.585 110 residues pruned to eliminate duplicates Z: 53 56.778 2.290 0.907 0.673 0.962 0.635 CA 1.599 53 residues pruned to eliminate duplicates Z: 90 81.823 2.331 1.038 0.685 0.944 0.562 CB 1.633 90 residues pruned to eliminate duplicates Z: 83 59.197 2.245 0.768 0.650 0.927 0.598 CB 1.546 83 residues pruned to eliminate duplicates Z: 88 72.549 2.312 0.983 0.663 0.897 0.552 CB 1.626 88 residues pruned to eliminate duplicates Z: 96 67.957 2.238 0.934 0.688 0.905 0.484 CB 1.497 96 residues pruned to eliminate duplicates Z: 100 78.432 2.302 0.896 0.689 0.960 0.596 CB 1.582 100 residues pruned to eliminate duplicates Z: 95 58.325 2.245 0.728 0.615 0.894 0.532 CB 1.556 95 residues pruned to eliminate duplicates Z: 130 83.743 2.268 0.924 0.655 0.938 0.566 CB 1.559 130 residues pruned to eliminate duplicates Z: 87 75.018 2.323 1.022 0.691 0.919 0.477 CB 1.574 87 residues pruned to eliminate duplicates Z: 55 48.855 2.273 0.825 0.674 0.907 0.463 CB 1.505 55 residues pruned to eliminate duplicates Z: 65 61.799 2.298 0.814 0.688 0.953 0.609 CB 1.636 65 residues pruned to eliminate duplicates Z: 114 85.930 2.319 1.003 0.684 0.929 0.469 CB 1.582 114 residues pruned to eliminate duplicates Z: 114 79.762 2.309 0.926 0.682 0.920 0.513 CB 1.551 114 residues pruned to eliminate duplicates Z: 94 79.746 2.300 0.946 0.711 0.935 0.656 CB 1.632 94 residues pruned to eliminate duplicates Z: 124 68.951 2.194 0.883 0.622 0.878 0.488 CB 1.527 136 residues pruned to eliminate duplicates Z: 67 45.130 2.239 0.643 0.643 0.894 0.606 CB 1.478 67 residues pruned to eliminate duplicates Z: 127 76.216 2.267 0.904 0.619 0.913 0.548 CB 1.541 127 residues pruned to eliminate duplicates Z: 59 57.538 2.249 0.941 0.670 0.897 0.534 CB 1.650 59 residues pruned to eliminate duplicates Z: 73 60.140 2.240 0.864 0.670 0.903 0.611 CB 1.606 73 residues pruned to eliminate duplicates Z: 23 20.981 2.079 0.566 0.662 0.909 0.727 CB 1.301 23 residues pruned to eliminate duplicates Z: 39 30.412 2.196 0.692 0.606 0.921 0.658 CB 1.304 39 residues pruned to eliminate duplicates Z: 56 65.930 2.330 0.940 0.717 0.945 0.600 CA 1.709 56 residues pruned to eliminate duplicates Z: 90 80.734 2.308 1.046 0.716 0.944 0.539 CB 1.580 90 residues pruned to eliminate duplicates Z: 56 60.021 2.292 0.851 0.730 0.927 0.564 CB 1.672 56 residues pruned to eliminate duplicates Z: 101 83.215 2.305 1.019 0.687 0.950 0.590 CB 1.585 101 residues pruned to eliminate duplicates Z: 114 75.325 2.280 0.947 0.650 0.903 0.478 CB 1.538 114 residues pruned to eliminate duplicates Z: 38 32.706 2.186 0.720 0.659 0.919 0.730 CB 1.343 38 residues pruned to eliminate duplicates Z: 84 63.204 2.246 0.854 0.680 0.904 0.554 CB 1.562 84 residues pruned to eliminate duplicates Z: 39 34.052 2.198 0.773 0.646 0.921 0.474 CB 1.343 39 residues pruned to eliminate duplicates Z: 76 70.508 2.317 0.925 0.700 0.933 0.733 CB 1.630 76 residues pruned to eliminate duplicates Z: 79 65.617 2.291 0.894 0.673 0.923 0.615 CB 1.582 79 residues pruned to eliminate duplicates Z: 87 66.243 2.265 0.827 0.680 0.930 0.605 CB 1.573 87 residues pruned to eliminate duplicates Z: 42 34.112 2.098 0.933 0.536 0.878 0.488 CB 1.445 42 residues pruned to eliminate duplicates Z: 6 8.389 1.893 0.883 0.446 1.000 0.800 CB 1.113 6 residues pruned to eliminate duplicates Z: 36 25.690 2.121 0.745 0.514 0.857 0.514 CB 1.349 36 residues pruned to eliminate duplicates Z: 12 9.953 1.975 0.899 0.365 0.909 0.455 CB 1.018 12 residues pruned to eliminate duplicates Z: 53 33.344 2.113 0.824 0.552 0.865 0.385 CB 1.318 53 residues pruned to eliminate duplicates Z: 95 58.738 2.229 0.819 0.629 0.883 0.479 CB 1.500 95 residues pruned to eliminate duplicates Z: 29 29.463 2.182 0.886 0.608 0.857 0.643 CB 1.425 29 residues pruned to eliminate duplicates Z: 40 24.807 2.081 0.731 0.474 0.821 0.462 CB 1.380 41 residues pruned to eliminate duplicates Z: 13 21.555 2.073 0.678 0.862 0.833 0.667 CB 1.576 13 residues pruned to eliminate duplicates Z: 129 82.601 2.281 0.986 0.620 0.922 0.492 CB 1.561 129 residues pruned to eliminate duplicates Z: 31 20.247 2.074 0.721 0.467 0.867 0.467 CB 1.236 31 residues pruned to eliminate duplicates Z: 49 29.697 2.135 0.962 0.506 0.771 0.333 CB 1.320 49 residues pruned to eliminate duplicates Z: 57 32.231 2.096 0.739 0.569 0.857 0.518 CB 1.290 57 residues pruned to eliminate duplicates Z: 94 60.399 2.208 0.871 0.614 0.882 0.505 CB 1.543 94 residues pruned to eliminate duplicates Z: 25 23.549 2.141 0.867 0.569 0.833 0.542 CB 1.350 25 residues pruned to eliminate duplicates Z: 25 29.292 2.192 0.989 0.573 0.917 0.458 CB 1.394 25 residues pruned to eliminate duplicates Z: 80 61.269 2.264 0.893 0.629 0.911 0.633 CB 1.563 80 residues pruned to eliminate duplicates Z: 35 29.901 2.157 1.021 0.500 0.882 0.471 CB 1.333 35 residues pruned to eliminate duplicates Z: 53 34.327 2.152 0.763 0.534 0.865 0.519 CB 1.402 53 residues pruned to eliminate duplicates Z: 40 25.772 2.145 0.806 0.541 0.769 0.513 CB 1.330 40 residues pruned to eliminate duplicates Z: 16 13.597 2.119 0.627 0.409 0.667 0.400 CB 1.679 16 residues pruned to eliminate duplicates Z: 55 32.406 2.153 0.787 0.542 0.833 0.574 CB 1.320 55 residues pruned to eliminate duplicates Z: 53 33.741 2.181 0.778 0.514 0.885 0.577 CB 1.345 53 residues pruned to eliminate duplicates Z: 91 41.116 2.081 0.742 0.534 0.867 0.578 CB 1.333 87 residues pruned to eliminate duplicates Z: 8 11.115 1.731 0.713 0.488 1.000 0.429 CB 1.434 8 residues pruned to eliminate duplicates Z: 43 23.334 2.093 0.704 0.461 0.786 0.476 CB 1.338 43 residues pruned to eliminate duplicates Z: 15 17.460 2.101 0.798 0.464 0.857 0.500 CA 1.495 15 residues pruned to eliminate duplicates Z: 131 79.695 2.267 0.965 0.623 0.908 0.546 CB 1.540 131 residues pruned to eliminate duplicates Z: 93 58.950 2.258 0.822 0.619 0.891 0.446 CB 1.497 93 residues pruned to eliminate duplicates Z: 55 39.608 2.143 0.891 0.584 0.907 0.611 CB 1.353 55 residues pruned to eliminate duplicates Z: 41 29.890 2.152 0.853 0.495 0.850 0.475 CB 1.402 41 residues pruned to eliminate duplicates Z: 49 28.171 2.148 0.670 0.487 0.812 0.604 CB 1.413 49 residues pruned to eliminate duplicates Z: 63 34.540 2.146 0.665 0.591 0.790 0.581 CB 1.424 63 residues pruned to eliminate duplicates Z: 26 15.915 1.923 0.710 0.566 0.720 0.440 CB 1.261 26 residues pruned to eliminate duplicates Z: 102 64.639 2.218 0.847 0.630 0.911 0.525 CB 1.525 102 residues pruned to eliminate duplicates Z: 13 11.245 1.842 0.560 0.756 0.833 0.167 CB 1.080 Z: 12 14.234 1.849 0.545 0.878 0.909 0.455 CB 1.199 13 residues pruned to eliminate duplicates Z: 12 15.309 1.837 0.570 0.889 0.909 0.455 CB 1.268 12 residues pruned to eliminate duplicates Z: 11 16.455 1.899 0.671 0.873 1.000 0.400 CB 1.195 11 residues pruned to eliminate duplicates Z: 11 13.524 1.912 0.639 0.854 0.900 0.400 CB 1.120 11 residues pruned to eliminate duplicates Z: 37 20.959 1.934 0.621 0.545 0.806 0.583 CB 1.323 49 residues pruned to eliminate duplicates Z: 128 59.738 2.173 0.744 0.601 0.882 0.504 CB 1.440 128 residues pruned to eliminate duplicates Z: 17 7.715 1.713 0.247 0.573 0.875 0.688 CA 0.961 Z: 13 10.943 1.746 0.227 0.851 1.000 0.833 CA 1.091 14 residues pruned to eliminate duplicates Z: 12 12.405 1.813 0.166 0.855 1.000 0.727 CB 1.306 12 residues pruned to eliminate duplicates Z: 13 9.768 1.720 0.255 0.814 0.833 0.833 CA 1.193 13 residues pruned to eliminate duplicates Z: 22 23.096 2.033 0.608 0.582 1.000 0.619 CB 1.426 22 residues pruned to eliminate duplicates Z: 9 7.325 1.823 0.512 0.400 1.000 0.875 CB 1.044 Z: 8 5.525 1.812 0.585 0.385 0.714 0.286 CA 1.150 9 residues pruned to eliminate duplicates Z: 7 8.436 1.912 0.832 0.478 1.000 0.500 CA 1.006 7 residues pruned to eliminate duplicates Z: 6 6.980 1.958 0.450 0.262 1.000 0.000 CB 1.443 Z: 12 14.094 1.941 0.386 0.699 1.000 0.727 CB 1.317 18 residues pruned to eliminate duplicates Z: 22 21.038 2.081 0.641 0.592 0.905 0.619 CB 1.360 30 residues pruned to eliminate duplicates Z: 37 23.448 1.975 0.589 0.439 0.944 0.639 CB 1.404 37 residues pruned to eliminate duplicates Z: 23 19.495 2.040 0.767 0.568 0.864 0.591 CB 1.250 23 residues pruned to eliminate duplicates Z: 52 24.592 2.018 0.510 0.493 0.882 0.627 CB 1.289 52 residues pruned to eliminate duplicates Z: 12 23.148 1.984 0.891 0.916 1.000 0.545 CA 1.313 12 residues pruned to eliminate duplicates Z: 42 26.630 2.011 0.618 0.524 0.927 0.561 CB 1.346 41 residues pruned to eliminate duplicates Z: 12 21.950 2.000 0.859 0.866 0.909 0.727 CB 1.433 12 residues pruned to eliminate duplicates Z: 22 20.092 2.019 0.813 0.594 0.857 0.619 CB 1.278 22 residues pruned to eliminate duplicates Z: 24 14.092 1.925 0.760 0.513 0.739 0.522 CB 1.159 24 residues pruned to eliminate duplicates Z: 44 22.905 1.971 0.672 0.438 0.884 0.512 CB 1.279 44 residues pruned to eliminate duplicates Z: 39 16.482 1.844 0.460 0.364 0.868 0.500 CB 1.324 34 residues pruned to eliminate duplicates Z: 13 5.973 1.758 0.476 0.619 0.667 0.167 CB 0.890 13 residues pruned to eliminate duplicates Z: 52 25.918 2.018 0.535 0.526 0.902 0.686 CB 1.266 52 residues pruned to eliminate duplicates Z: 45 24.353 2.062 0.495 0.475 0.909 0.500 CB 1.343 45 residues pruned to eliminate duplicates Z: 52 25.606 1.980 0.631 0.436 0.902 0.471 CB 1.315 52 residues pruned to eliminate duplicates Z: 29 18.261 1.944 0.501 0.418 0.893 0.571 CB 1.444 33 residues pruned to eliminate duplicates Z: 6 5.301 1.507 0.877 0.476 1.000 0.800 CA 0.858 6 residues pruned to eliminate duplicates Z: 28 12.502 1.814 0.438 0.334 0.815 0.519 CB 1.357 28 residues pruned to eliminate duplicates Z: 42 22.430 2.007 0.488 0.525 0.805 0.488 CB 1.422 42 residues pruned to eliminate duplicates Z: 26 16.566 2.015 0.336 0.461 0.920 0.640 CB 1.391 26 residues pruned to eliminate duplicates Z: 29 19.435 2.033 0.432 0.442 0.893 0.679 CB 1.500 30 residues pruned to eliminate duplicates Z: 6 6.570 1.777 0.553 0.418 1.000 1.000 CA 1.160 6 residues pruned to eliminate duplicates Z: 22 12.330 1.993 0.548 0.294 0.857 0.571 CB 1.282 22 residues pruned to eliminate duplicates Z: 19 11.802 1.946 0.463 0.322 0.889 0.444 CB 1.337 19 residues pruned to eliminate duplicates Z: 15 10.921 1.981 0.606 0.306 0.786 0.500 CB 1.450 15 residues pruned to eliminate duplicates Z: 32 16.734 1.864 0.435 0.396 0.903 0.484 CB 1.388 27 residues pruned to eliminate duplicates Z: 6 6.850 1.617 0.391 0.434 1.000 0.600 N 1.458 6 residues pruned to eliminate duplicates Z: 29 14.255 1.921 0.293 0.382 0.893 0.464 CB 1.378 29 residues pruned to eliminate duplicates Z: 53 28.267 2.000 0.590 0.487 0.942 0.481 CB 1.325 53 residues pruned to eliminate duplicates Z: 33 15.666 1.904 0.490 0.381 0.812 0.406 CB 1.363 33 residues pruned to eliminate duplicates Z: 29 14.462 1.933 0.448 0.388 0.821 0.500 CB 1.339 29 residues pruned to eliminate duplicates Z: 27 16.611 1.970 0.341 0.414 0.923 0.692 CB 1.461 33 residues pruned to eliminate duplicates Z: 11 13.558 1.827 0.572 0.804 1.000 0.800 CA 1.145 11 residues pruned to eliminate duplicates Z: 28 18.632 1.967 0.480 0.417 0.926 0.704 CA 1.451 28 residues pruned to eliminate duplicates Z: 28 21.112 1.974 0.638 0.455 0.889 0.667 CB 1.480 27 residues pruned to eliminate duplicates Z: 21 33.579 2.077 0.954 0.807 0.900 0.600 CB 1.573 21 residues pruned to eliminate duplicates Z: 27 20.746 2.007 0.595 0.481 0.885 0.615 CB 1.465 27 residues pruned to eliminate duplicates 713 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 6 D: 6 E: 11 F: 6 G: 6 H: 184 I: 300 J: 12 K: 169 CC for partial structure against native data = 37.68 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.577, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.659, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.791, Connect. = 0.779 for dens.mod. cycle 3 = 0.300, Contrast = 0.807, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.822, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.827, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.832, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.833, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.834, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.833, Connect. = 0.789 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4174 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 958 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 30.542 2.303 0.792 0.821 0.941 0.765 CB 1.444 B: 13 39.006 2.410 0.942 0.897 1.000 0.917 CA 1.723 C: 14 28.173 2.157 0.689 0.870 1.000 0.923 CB 1.565 D: 14 32.610 2.278 0.717 0.920 1.000 0.923 CA 1.629 14 residues pruned to eliminate duplicates E: 14 35.401 2.279 1.060 0.814 1.000 0.615 CB 1.591 F: 10 23.313 2.567 0.562 0.901 0.778 0.556 CA 1.778 G: 14 44.425 2.449 1.299 0.894 1.000 0.769 CB 1.570 H: 42 39.445 2.304 0.866 0.523 0.829 0.537 CB 1.689 I: 13 29.554 2.399 0.724 0.844 1.000 0.667 CA 1.534 10 residues pruned to eliminate duplicates J: 19 42.133 2.307 1.099 0.861 0.944 0.722 CB 1.595 18 residues pruned to eliminate duplicates K: 20 35.254 2.209 0.968 0.831 0.947 0.737 CB 1.476 20 residues pruned to eliminate duplicates L: 189 86.285 2.215 0.786 0.587 0.920 0.601 CB 1.590 69 residues pruned to eliminate duplicates M: 13 45.998 2.427 1.243 0.899 1.000 0.750 CA 1.744 13 residues pruned to eliminate duplicates N: 17 27.330 2.087 0.752 0.718 1.000 0.688 CA 1.534 O: 18 28.591 2.325 0.460 0.855 1.000 0.824 CB 1.507 18 residues pruned to eliminate duplicates P: 11 26.632 2.360 0.857 0.879 0.900 0.900 CB 1.548 11 residues pruned to eliminate duplicates Q: 14 25.333 2.231 0.594 0.902 0.923 0.692 CA 1.526 14 residues pruned to eliminate duplicates R: 21 39.948 2.305 0.890 0.887 1.000 0.750 CA 1.478 S: 14 27.087 2.329 0.635 0.845 0.923 0.692 CA 1.589 14 residues pruned to eliminate duplicates T: 13 23.350 2.436 0.605 0.806 0.833 0.750 CB 1.583 13 residues pruned to eliminate duplicates U: 16 42.021 2.305 1.197 0.918 1.000 0.800 CB 1.511 15 residues pruned to eliminate duplicates V: 10 24.374 2.363 0.777 0.860 0.889 0.556 CB 1.602 10 residues pruned to eliminate duplicates W: 14 28.575 2.199 0.730 0.909 1.000 0.846 CA 1.479 14 residues pruned to eliminate duplicates X: 17 22.749 2.100 0.671 0.709 0.875 0.750 CA 1.531 17 residues pruned to eliminate duplicates Y: 21 36.137 2.276 0.667 0.857 1.000 0.750 CA 1.569 Z: 13 33.136 2.255 0.730 0.906 1.000 0.667 CA 1.745 Z: 98 50.353 2.227 0.584 0.491 0.918 0.546 CA 1.595 98 residues pruned to eliminate duplicates Z: 13 31.798 2.331 0.722 0.918 1.000 0.917 CA 1.613 13 residues pruned to eliminate duplicates Z: 13 32.023 2.224 0.961 0.909 0.917 0.583 CA 1.641 13 residues pruned to eliminate duplicates Z: 14 31.722 2.445 0.575 0.925 1.000 1.000 CB 1.603 14 residues pruned to eliminate duplicates Z: 13 24.810 2.400 0.553 0.836 0.917 0.750 CB 1.569 13 residues pruned to eliminate duplicates Z: 15 38.872 2.390 0.978 0.921 1.000 0.857 CB 1.547 15 residues pruned to eliminate duplicates Z: 22 38.325 2.182 0.973 0.872 0.905 0.571 CA 1.566 22 residues pruned to eliminate duplicates Z: 23 34.008 2.185 0.841 0.836 0.909 0.545 CA 1.484 23 residues pruned to eliminate duplicates Z: 24 40.389 2.107 1.091 0.885 0.957 0.435 CA 1.443 22 residues pruned to eliminate duplicates Z: 15 33.550 2.097 1.208 0.804 0.929 0.429 CB 1.600 16 residues pruned to eliminate duplicates Z: 13 29.562 2.087 0.900 0.887 1.000 0.667 CB 1.551 13 residues pruned to eliminate duplicates Z: 12 35.587 2.398 0.955 0.885 1.000 0.818 CA 1.652 12 residues pruned to eliminate duplicates Z: 127 86.655 2.273 0.960 0.663 0.921 0.611 CB 1.618 124 residues pruned to eliminate duplicates Z: 21 37.026 2.277 0.818 0.863 0.900 0.800 CA 1.630 20 residues pruned to eliminate duplicates Z: 193 89.707 2.247 0.760 0.604 0.911 0.615 CB 1.627 192 residues pruned to eliminate duplicates Z: 130 82.313 2.246 0.914 0.662 0.915 0.620 CB 1.587 130 residues pruned to eliminate duplicates Z: 12 21.649 2.232 0.554 0.919 1.000 0.909 CA 1.326 12 residues pruned to eliminate duplicates Z: 13 31.302 2.287 1.009 0.810 1.000 0.750 CB 1.501 13 residues pruned to eliminate duplicates Z: 10 32.069 2.531 0.689 0.907 1.000 0.889 CA 1.777 10 residues pruned to eliminate duplicates Z: 23 33.921 2.206 0.724 0.831 0.909 0.545 CA 1.571 23 residues pruned to eliminate duplicates Z: 14 30.021 2.225 0.884 0.842 1.000 0.769 CB 1.480 14 residues pruned to eliminate duplicates Z: 13 48.984 2.570 1.191 0.920 1.000 0.917 CB 1.768 13 residues pruned to eliminate duplicates Z: 21 44.219 2.245 0.963 0.864 1.000 0.700 CA 1.645 22 residues pruned to eliminate duplicates Z: 19 42.880 2.312 1.156 0.842 0.944 0.500 CB 1.600 19 residues pruned to eliminate duplicates Z: 18 42.521 2.287 1.212 0.911 1.000 0.765 CB 1.445 20 residues pruned to eliminate duplicates Z: 58 40.018 2.267 0.672 0.468 0.930 0.579 CA 1.553 58 residues pruned to eliminate duplicates Z: 13 29.659 2.324 0.948 0.893 1.000 0.917 CA 1.358 13 residues pruned to eliminate duplicates Z: 11 30.427 2.300 0.727 0.855 1.000 0.700 CA 1.787 Z: 14 24.208 2.242 0.340 0.922 1.000 0.923 CA 1.571 14 residues pruned to eliminate duplicates Z: 20 39.341 2.235 0.837 0.852 1.000 0.737 CA 1.625 20 residues pruned to eliminate duplicates Z: 13 30.292 2.218 1.015 0.855 1.000 0.917 CA 1.444 13 residues pruned to eliminate duplicates Z: 52 53.021 2.326 1.011 0.594 0.902 0.529 CB 1.609 52 residues pruned to eliminate duplicates Z: 13 32.461 2.293 0.614 0.903 1.000 0.583 CA 1.805 13 residues pruned to eliminate duplicates Z: 14 35.797 2.261 0.977 0.902 1.000 0.846 CA 1.584 14 residues pruned to eliminate duplicates Z: 13 24.322 2.080 0.615 0.896 1.000 1.000 CA 1.497 12 residues pruned to eliminate duplicates Z: 13 30.142 2.194 0.967 0.831 1.000 0.750 CA 1.514 13 residues pruned to eliminate duplicates Z: 13 32.344 2.257 0.703 0.929 1.000 0.833 CA 1.699 13 residues pruned to eliminate duplicates Z: 13 28.690 2.235 0.735 0.919 0.917 0.583 CA 1.642 13 residues pruned to eliminate duplicates Z: 14 39.797 2.430 1.069 0.910 1.000 0.923 CB 1.557 14 residues pruned to eliminate duplicates Z: 18 14.388 2.196 0.989 0.408 0.647 0.471 CA 1.360 Z: 11 13.929 1.974 0.388 0.774 0.900 0.900 CA 1.402 Z: 14 30.701 2.210 0.753 0.856 1.000 0.846 CA 1.620 14 residues pruned to eliminate duplicates Z: 12 23.108 2.077 0.576 0.933 1.000 0.909 CA 1.485 Z: 15 19.539 1.998 0.609 0.797 0.857 0.643 CA 1.462 15 residues pruned to eliminate duplicates Z: 17 19.725 1.945 0.810 0.749 0.875 0.562 CA 1.282 17 residues pruned to eliminate duplicates Z: 18 28.584 2.352 0.470 0.861 1.000 0.882 CB 1.473 17 residues pruned to eliminate duplicates Z: 124 85.340 2.308 0.946 0.657 0.902 0.561 CA 1.642 89 residues pruned to eliminate duplicates Z: 70 35.773 2.091 0.628 0.486 0.884 0.652 CB 1.451 14 residues pruned to eliminate duplicates Z: 15 26.334 2.190 0.961 0.793 0.857 0.357 CB 1.478 15 residues pruned to eliminate duplicates Z: 13 18.898 1.910 0.494 0.855 1.000 0.583 CB 1.411 Z: 14 30.618 2.200 0.892 0.896 0.923 0.846 CA 1.583 14 residues pruned to eliminate duplicates Z: 13 24.031 2.128 0.696 0.894 1.000 0.750 CB 1.379 13 residues pruned to eliminate duplicates Z: 20 37.116 2.211 1.036 0.845 0.895 0.684 CA 1.572 20 residues pruned to eliminate duplicates Z: 10 28.538 2.552 0.610 0.914 1.000 0.778 CA 1.637 10 residues pruned to eliminate duplicates Z: 12 17.264 1.897 0.521 0.926 1.000 0.818 CA 1.265 Z: 14 40.252 2.304 1.103 0.864 1.000 0.769 CA 1.689 14 residues pruned to eliminate duplicates Z: 19 28.707 2.050 0.731 0.847 0.944 0.833 CB 1.498 19 residues pruned to eliminate duplicates Z: 13 24.570 2.408 0.510 0.792 0.917 0.667 CA 1.647 13 residues pruned to eliminate duplicates Z: 18 25.694 2.072 0.823 0.811 0.941 0.765 CB 1.337 18 residues pruned to eliminate duplicates Z: 12 18.742 1.969 0.635 0.837 1.000 0.909 CB 1.313 12 residues pruned to eliminate duplicates Z: 12 22.505 1.998 0.871 0.846 0.909 0.818 CA 1.483 12 residues pruned to eliminate duplicates Z: 12 40.124 2.341 1.103 0.904 1.000 0.818 CA 1.750 12 residues pruned to eliminate duplicates Z: 18 20.250 2.111 0.160 0.882 1.000 0.882 CA 1.451 18 residues pruned to eliminate duplicates Z: 14 44.952 2.359 1.376 0.896 1.000 0.769 CB 1.593 14 residues pruned to eliminate duplicates Z: 21 29.540 2.233 0.668 0.880 0.850 0.800 CA 1.512 21 residues pruned to eliminate duplicates Z: 13 33.833 2.342 0.794 0.873 1.000 0.833 CA 1.693 13 residues pruned to eliminate duplicates Z: 21 42.426 2.222 0.995 0.873 0.950 0.450 CA 1.640 21 residues pruned to eliminate duplicates Z: 15 35.431 2.354 1.221 0.910 1.000 0.571 CB 1.284 15 residues pruned to eliminate duplicates Z: 7 7.546 1.774 0.741 0.578 0.667 0.500 CA 1.388 Z: 15 32.186 2.183 1.028 0.833 0.929 0.857 CA 1.570 15 residues pruned to eliminate duplicates Z: 11 19.734 2.276 0.471 0.905 0.900 0.800 CB 1.474 Z: 13 28.171 2.111 0.842 0.889 1.000 0.583 CB 1.506 11 residues pruned to eliminate duplicates Z: 53 56.793 2.345 0.808 0.736 0.923 0.673 CA 1.628 51 residues pruned to eliminate duplicates Z: 14 17.899 1.987 0.224 0.894 1.000 0.923 CB 1.465 12 residues pruned to eliminate duplicates Z: 13 30.182 2.250 0.895 0.847 0.917 0.583 CA 1.655 13 residues pruned to eliminate duplicates Z: 20 34.773 2.187 0.872 0.858 0.947 0.632 CA 1.515 20 residues pruned to eliminate duplicates Z: 23 28.977 2.110 0.816 0.865 0.864 0.727 CA 1.367 23 residues pruned to eliminate duplicates Z: 11 16.635 1.993 0.379 0.850 0.900 0.700 CB 1.575 Z: 21 23.664 1.910 0.726 0.832 0.950 0.750 CB 1.268 Z: 10 18.593 1.979 0.695 0.800 0.889 0.778 CA 1.598 11 residues pruned to eliminate duplicates Z: 18 37.254 2.192 1.106 0.871 0.882 0.471 CA 1.618 18 residues pruned to eliminate duplicates Z: 67 30.770 2.039 0.522 0.464 0.924 0.530 CB 1.370 56 residues pruned to eliminate duplicates Z: 193 90.866 2.243 0.827 0.596 0.911 0.589 CB 1.601 191 residues pruned to eliminate duplicates Z: 15 17.401 1.870 0.279 0.855 1.000 0.786 CB 1.435 15 residues pruned to eliminate duplicates Z: 14 28.486 2.100 0.938 0.917 1.000 0.692 CB 1.369 14 residues pruned to eliminate duplicates Z: 13 25.754 2.036 0.906 0.893 1.000 0.583 CB 1.375 13 residues pruned to eliminate duplicates Z: 14 21.139 1.908 1.010 0.858 1.000 0.846 CA 1.126 14 residues pruned to eliminate duplicates Z: 14 30.045 2.196 0.878 0.840 1.000 0.538 CB 1.508 14 residues pruned to eliminate duplicates Z: 16 25.341 2.087 0.995 0.741 0.867 0.733 CA 1.462 16 residues pruned to eliminate duplicates Z: 13 22.021 2.157 0.533 0.891 0.917 0.833 CA 1.508 13 residues pruned to eliminate duplicates Z: 11 13.640 1.932 0.438 0.834 0.900 0.600 CA 1.293 11 residues pruned to eliminate duplicates Z: 12 22.456 2.168 0.742 0.899 1.000 0.727 CB 1.281 12 residues pruned to eliminate duplicates Z: 9 9.092 1.802 0.794 0.502 0.875 0.750 CB 1.134 Z: 40 55.367 2.388 0.868 0.748 0.949 0.564 CA 1.679 39 residues pruned to eliminate duplicates Z: 39 25.882 2.052 0.781 0.524 0.816 0.579 CB 1.375 13 residues pruned to eliminate duplicates Z: 21 40.521 2.269 1.015 0.839 0.950 0.500 CA 1.557 21 residues pruned to eliminate duplicates Z: 15 36.882 2.330 1.124 0.921 1.000 0.571 CB 1.402 15 residues pruned to eliminate duplicates Z: 45 48.542 2.309 0.816 0.684 0.909 0.500 CA 1.622 45 residues pruned to eliminate duplicates Z: 12 20.351 1.985 0.606 0.874 1.000 0.818 CA 1.401 12 residues pruned to eliminate duplicates Z: 14 26.113 2.251 0.783 0.783 0.923 0.846 CA 1.523 14 residues pruned to eliminate duplicates Z: 21 12.253 1.916 0.413 0.473 0.750 0.600 CB 1.387 21 residues pruned to eliminate duplicates Z: 7 7.829 2.059 0.377 0.724 0.833 0.667 CB 1.105 7 residues pruned to eliminate duplicates Z: 12 16.474 1.984 0.454 0.842 0.909 0.545 CA 1.411 12 residues pruned to eliminate duplicates Z: 19 44.844 2.307 1.067 0.846 1.000 0.611 CA 1.646 19 residues pruned to eliminate duplicates Z: 13 28.025 2.029 0.822 0.881 1.000 0.667 CA 1.584 13 residues pruned to eliminate duplicates Z: 19 40.469 2.333 0.916 0.859 0.944 0.222 CA 1.662 19 residues pruned to eliminate duplicates Z: 12 16.661 2.115 0.439 0.884 0.818 0.727 CA 1.458 12 residues pruned to eliminate duplicates Z: 9 7.922 1.846 0.522 0.372 0.875 0.500 CB 1.306 Z: 20 30.644 2.277 0.467 0.884 1.000 0.789 CA 1.522 20 residues pruned to eliminate duplicates Z: 13 31.321 2.066 0.817 0.906 1.000 0.750 CA 1.713 12 residues pruned to eliminate duplicates Z: 11 28.403 2.108 1.189 0.850 1.000 0.500 CA 1.442 Z: 22 22.827 2.149 0.881 0.485 0.857 0.524 CA 1.460 22 residues pruned to eliminate duplicates Z: 13 22.788 2.051 0.577 0.911 1.000 0.917 CA 1.441 13 residues pruned to eliminate duplicates Z: 13 18.566 2.087 0.660 0.804 0.917 0.750 CA 1.293 13 residues pruned to eliminate duplicates Z: 13 21.480 2.083 0.726 0.851 1.000 0.833 CA 1.276 13 residues pruned to eliminate duplicates Z: 6 11.832 1.889 0.814 0.713 1.000 1.000 CA 1.274 Z: 14 24.066 2.022 0.785 0.880 1.000 0.846 CA 1.340 14 residues pruned to eliminate duplicates Z: 14 42.195 2.429 1.352 0.911 0.923 0.462 CB 1.573 14 residues pruned to eliminate duplicates Z: 20 35.584 2.206 1.281 0.813 0.895 0.316 CB 1.381 20 residues pruned to eliminate duplicates Z: 54 39.073 2.038 0.854 0.593 0.943 0.642 CB 1.377 12 residues pruned to eliminate duplicates Z: 14 26.207 2.149 0.842 0.842 1.000 0.615 CB 1.369 14 residues pruned to eliminate duplicates Z: 22 22.911 2.108 0.485 0.794 0.857 0.762 CA 1.440 22 residues pruned to eliminate duplicates Z: 11 33.793 2.230 1.144 0.917 1.000 0.600 CB 1.578 11 residues pruned to eliminate duplicates Z: 16 22.492 2.037 0.775 0.734 1.000 0.600 CA 1.302 16 residues pruned to eliminate duplicates Z: 6 2.071 1.864 0.339 0.268 0.600 0.400 CB 0.805 6 residues pruned to eliminate duplicates Z: 10 28.076 2.283 0.829 0.886 1.000 0.889 CB 1.616 10 residues pruned to eliminate duplicates Z: 13 28.109 2.212 0.831 0.912 1.000 0.917 CA 1.418 13 residues pruned to eliminate duplicates Z: 8 11.744 1.696 0.706 0.747 1.000 0.857 CA 1.230 8 residues pruned to eliminate duplicates Z: 13 17.612 1.998 0.782 0.878 0.750 0.667 CB 1.382 13 residues pruned to eliminate duplicates Z: 13 21.444 2.089 0.741 0.866 0.917 0.833 CA 1.359 13 residues pruned to eliminate duplicates Z: 22 43.629 2.247 0.887 0.843 1.000 0.571 CA 1.671 22 residues pruned to eliminate duplicates Z: 13 24.741 2.209 0.516 0.888 0.917 0.583 CA 1.676 13 residues pruned to eliminate duplicates Z: 98 58.531 2.275 0.798 0.507 0.907 0.608 CB 1.590 98 residues pruned to eliminate duplicates Z: 17 18.524 1.914 0.413 0.884 0.938 0.938 CA 1.320 17 residues pruned to eliminate duplicates Z: 13 34.176 2.316 0.922 0.851 1.000 0.750 CB 1.641 13 residues pruned to eliminate duplicates Z: 10 6.746 1.790 0.570 0.293 0.778 0.556 CB 1.297 10 residues pruned to eliminate duplicates Z: 16 20.645 1.975 0.713 0.799 0.933 0.933 CA 1.300 16 residues pruned to eliminate duplicates Z: 19 24.289 2.012 0.549 0.847 1.000 0.722 CB 1.364 19 residues pruned to eliminate duplicates Z: 12 22.394 1.924 1.081 0.784 0.909 0.545 CA 1.444 12 residues pruned to eliminate duplicates Z: 13 43.355 2.399 1.098 0.909 1.000 0.750 CA 1.764 13 residues pruned to eliminate duplicates Z: 20 39.468 2.282 1.038 0.810 0.895 0.579 CB 1.661 20 residues pruned to eliminate duplicates Z: 99 77.333 2.285 0.908 0.702 0.949 0.694 CB 1.570 86 residues pruned to eliminate duplicates Z: 22 36.416 2.183 0.839 0.871 0.952 0.429 CA 1.515 22 residues pruned to eliminate duplicates Z: 14 34.670 2.309 0.912 0.915 1.000 0.769 CA 1.539 14 residues pruned to eliminate duplicates Z: 94 67.006 2.228 0.742 0.702 0.925 0.688 CA 1.610 94 residues pruned to eliminate duplicates Z: 18 31.628 2.180 0.784 0.881 0.941 0.647 CB 1.517 18 residues pruned to eliminate duplicates Z: 22 31.720 2.188 0.780 0.897 0.905 0.762 CA 1.406 22 residues pruned to eliminate duplicates Z: 18 33.186 2.174 0.923 0.870 0.941 0.706 CA 1.493 18 residues pruned to eliminate duplicates Z: 14 37.785 2.261 1.213 0.895 1.000 0.846 CB 1.502 14 residues pruned to eliminate duplicates Z: 12 20.420 1.992 0.613 0.857 1.000 0.727 CA 1.412 12 residues pruned to eliminate duplicates Z: 7 9.532 1.851 0.296 0.698 1.000 0.667 N 1.353 7 residues pruned to eliminate duplicates Z: 22 26.675 2.185 0.451 0.872 1.000 0.714 CA 1.338 22 residues pruned to eliminate duplicates Z: 14 33.883 2.238 0.887 0.905 1.000 0.692 CB 1.584 14 residues pruned to eliminate duplicates Z: 72 63.911 2.329 0.914 0.676 0.887 0.634 CA 1.630 72 residues pruned to eliminate duplicates Z: 14 33.116 2.360 0.964 0.812 0.923 0.769 CB 1.636 14 residues pruned to eliminate duplicates Z: 12 23.974 2.219 1.032 0.897 0.909 0.455 CB 1.262 12 residues pruned to eliminate duplicates Z: 21 20.178 1.918 0.697 0.493 0.900 0.500 CB 1.550 20 residues pruned to eliminate duplicates Z: 97 43.296 2.040 0.712 0.509 0.906 0.562 CB 1.383 93 residues pruned to eliminate duplicates Z: 10 14.931 2.065 0.425 0.865 0.889 0.667 CB 1.395 10 residues pruned to eliminate duplicates Z: 20 37.947 2.259 0.936 0.855 0.947 0.632 CA 1.551 20 residues pruned to eliminate duplicates Z: 34 36.718 2.238 0.857 0.712 0.909 0.576 CB 1.396 34 residues pruned to eliminate duplicates Z: 10 22.915 2.109 0.774 0.911 0.889 0.778 N 1.627 10 residues pruned to eliminate duplicates Z: 12 24.015 2.292 0.557 0.911 1.000 0.545 CB 1.438 12 residues pruned to eliminate duplicates Z: 18 29.149 2.204 0.804 0.823 0.941 0.647 CB 1.428 18 residues pruned to eliminate duplicates Z: 13 28.136 2.126 0.994 0.871 0.917 0.500 CB 1.525 13 residues pruned to eliminate duplicates Z: 11 19.981 2.197 0.484 0.918 1.000 0.900 CA 1.367 11 residues pruned to eliminate duplicates Z: 11 21.778 2.279 0.505 0.919 1.000 0.700 CB 1.416 11 residues pruned to eliminate duplicates Z: 13 22.760 1.992 0.867 0.886 1.000 0.917 CA 1.275 13 residues pruned to eliminate duplicates Z: 12 24.552 1.998 0.956 0.902 0.909 0.727 CB 1.487 12 residues pruned to eliminate duplicates Z: 9 7.153 1.877 0.733 0.328 0.750 0.375 CB 1.253 Z: 12 19.148 1.874 0.579 0.905 1.000 0.636 CA 1.389 12 residues pruned to eliminate duplicates Z: 14 19.290 2.208 0.675 0.685 0.923 0.692 CA 1.323 14 residues pruned to eliminate duplicates Z: 10 3.446 1.828 0.634 0.221 0.444 0.333 CA 1.201 Z: 14 26.655 2.086 0.763 0.904 1.000 0.769 CA 1.431 14 residues pruned to eliminate duplicates Z: 10 25.502 2.244 1.035 0.859 0.889 0.667 CB 1.541 10 residues pruned to eliminate duplicates Z: 18 33.129 2.163 0.771 0.914 1.000 0.765 CA 1.484 18 residues pruned to eliminate duplicates Z: 10 9.585 2.263 -0.260 0.890 1.000 0.889 CA 1.372 10 residues pruned to eliminate duplicates Z: 12 14.546 1.800 0.383 0.851 1.000 0.727 CB 1.304 12 residues pruned to eliminate duplicates Z: 15 25.002 2.284 0.738 0.729 0.857 0.786 CA 1.598 15 residues pruned to eliminate duplicates Z: 78 71.054 2.356 0.979 0.647 0.883 0.623 CA 1.714 78 residues pruned to eliminate duplicates Z: 13 9.146 1.860 0.531 0.462 0.833 0.583 CB 1.157 9 residues pruned to eliminate duplicates Z: 11 19.894 2.195 0.534 0.851 0.900 0.700 CB 1.537 11 residues pruned to eliminate duplicates Z: 14 28.230 2.162 0.820 0.824 0.923 0.692 CB 1.628 14 residues pruned to eliminate duplicates Z: 13 41.744 2.323 1.198 0.896 1.000 0.583 CB 1.691 13 residues pruned to eliminate duplicates Z: 13 43.200 2.359 1.213 0.913 1.000 0.500 CB 1.691 13 residues pruned to eliminate duplicates Z: 12 29.210 2.174 0.835 0.915 1.000 0.636 CB 1.560 12 residues pruned to eliminate duplicates Z: 13 27.085 2.002 1.068 0.831 1.000 0.667 CA 1.419 11 residues pruned to eliminate duplicates Z: 13 26.399 2.216 0.479 0.888 1.000 0.583 CA 1.675 13 residues pruned to eliminate duplicates Z: 17 9.708 1.800 0.551 0.389 0.750 0.500 CA 1.304 17 residues pruned to eliminate duplicates Z: 51 32.671 2.057 0.585 0.550 0.940 0.680 CB 1.436 51 residues pruned to eliminate duplicates Z: 11 25.298 2.051 0.858 0.919 1.000 0.900 CB 1.479 11 residues pruned to eliminate duplicates Z: 8 13.857 1.781 0.703 0.795 1.000 0.286 CB 1.334 12 residues pruned to eliminate duplicates Z: 22 30.711 2.180 0.645 0.879 0.952 0.762 CA 1.423 22 residues pruned to eliminate duplicates Z: 13 27.891 2.260 0.546 0.914 1.000 0.750 CA 1.630 13 residues pruned to eliminate duplicates Z: 8 13.195 1.797 0.365 0.845 1.000 0.714 CB 1.512 8 residues pruned to eliminate duplicates Z: 90 71.865 2.296 0.958 0.714 0.899 0.573 CB 1.553 90 residues pruned to eliminate duplicates Z: 22 31.697 2.078 1.022 0.800 0.857 0.476 CA 1.477 22 residues pruned to eliminate duplicates Z: 119 83.134 2.304 1.039 0.654 0.873 0.627 CA 1.618 119 residues pruned to eliminate duplicates Z: 19 20.829 1.941 0.455 0.827 0.944 0.778 CB 1.388 19 residues pruned to eliminate duplicates Z: 13 35.925 2.297 0.956 0.897 1.000 0.333 CB 1.652 13 residues pruned to eliminate duplicates Z: 11 12.486 1.949 0.504 0.796 0.900 0.800 CA 1.154 11 residues pruned to eliminate duplicates Z: 21 32.635 2.265 0.595 0.861 0.950 0.700 CA 1.563 21 residues pruned to eliminate duplicates Z: 21 33.484 2.128 1.032 0.864 0.900 0.450 CA 1.410 21 residues pruned to eliminate duplicates Z: 17 13.746 1.716 0.790 0.704 0.938 0.375 CA 0.991 17 residues pruned to eliminate duplicates Z: 6 14.795 1.918 1.038 0.794 1.000 0.800 CA 1.308 6 residues pruned to eliminate duplicates Z: 13 19.775 2.160 0.389 0.841 1.000 0.917 CA 1.419 13 residues pruned to eliminate duplicates Z: 21 35.669 2.233 0.849 0.868 0.950 0.700 CA 1.486 21 residues pruned to eliminate duplicates Z: 13 49.228 2.415 1.324 0.912 1.000 0.583 CA 1.793 13 residues pruned to eliminate duplicates Z: 173 94.952 2.297 0.887 0.614 0.919 0.645 CA 1.632 173 residues pruned to eliminate duplicates Z: 12 22.602 1.956 1.030 0.926 1.000 1.000 CA 1.204 12 residues pruned to eliminate duplicates Z: 7 20.024 2.420 1.004 0.867 0.833 0.667 CB 1.480 7 residues pruned to eliminate duplicates Z: 9 14.408 1.769 0.636 0.716 1.000 0.750 CA 1.447 9 residues pruned to eliminate duplicates Z: 11 18.165 1.974 0.473 0.871 1.000 0.800 CA 1.441 11 residues pruned to eliminate duplicates Z: 21 21.906 2.080 1.045 0.421 0.900 0.500 CA 1.389 22 residues pruned to eliminate duplicates Z: 134 73.495 2.271 0.900 0.631 0.880 0.526 CB 1.485 122 residues pruned to eliminate duplicates Z: 19 35.055 2.339 0.870 0.854 0.944 0.667 CA 1.477 19 residues pruned to eliminate duplicates Z: 21 29.196 2.258 0.658 0.858 0.950 0.800 CA 1.352 21 residues pruned to eliminate duplicates Z: 18 44.717 2.373 1.333 0.834 1.000 0.471 CB 1.469 18 residues pruned to eliminate duplicates Z: 14 27.892 1.950 1.185 0.857 1.000 0.769 CA 1.339 14 residues pruned to eliminate duplicates Z: 13 18.442 1.886 0.780 0.902 0.917 0.667 CA 1.234 13 residues pruned to eliminate duplicates Z: 6 11.166 1.693 0.852 0.815 1.000 0.800 CB 1.211 6 residues pruned to eliminate duplicates Z: 11 29.694 2.347 0.907 0.911 1.000 0.200 CB 1.487 11 residues pruned to eliminate duplicates Z: 47 21.552 1.911 0.804 0.455 0.783 0.457 CB 1.233 41 residues pruned to eliminate duplicates Z: 52 28.481 2.090 0.687 0.508 0.843 0.588 CB 1.332 57 residues pruned to eliminate duplicates Z: 8 8.921 1.990 0.363 0.863 0.857 0.571 CA 1.064 8 residues pruned to eliminate duplicates Z: 32 38.471 2.202 1.144 0.590 0.935 0.484 CB 1.435 30 residues pruned to eliminate duplicates Z: 12 13.620 1.909 0.211 0.873 1.000 0.818 CA 1.294 12 residues pruned to eliminate duplicates Z: 12 28.387 2.091 1.010 0.861 1.000 0.636 CA 1.496 13 residues pruned to eliminate duplicates Z: 65 60.653 2.262 0.983 0.691 0.906 0.625 CB 1.566 65 residues pruned to eliminate duplicates Z: 12 44.517 2.341 1.248 0.917 1.000 0.818 CB 1.799 12 residues pruned to eliminate duplicates Z: 11 21.638 2.184 0.485 0.861 1.000 0.900 CA 1.551 11 residues pruned to eliminate duplicates Z: 76 62.749 2.206 0.836 0.708 0.920 0.640 CA 1.610 76 residues pruned to eliminate duplicates Z: 18 22.154 2.069 0.364 0.828 1.000 0.706 CA 1.433 18 residues pruned to eliminate duplicates Z: 13 21.415 1.840 0.863 0.896 1.000 0.750 CA 1.291 13 residues pruned to eliminate duplicates Z: 12 29.317 2.359 0.732 0.852 1.000 1.000 CA 1.601 12 residues pruned to eliminate duplicates Z: 11 8.616 1.810 0.246 0.881 0.900 0.700 CB 0.972 Z: 11 20.081 2.002 0.839 0.848 0.900 0.700 CA 1.422 11 residues pruned to eliminate duplicates Z: 17 41.033 2.370 1.320 0.943 0.875 0.375 CB 1.478 17 residues pruned to eliminate duplicates Z: 20 18.426 1.990 0.584 0.546 0.947 0.526 CB 1.353 20 residues pruned to eliminate duplicates Z: 91 41.447 2.038 0.648 0.508 0.944 0.622 CB 1.366 91 residues pruned to eliminate duplicates Z: 82 66.213 2.299 0.941 0.630 0.864 0.593 CB 1.688 82 residues pruned to eliminate duplicates Z: 21 31.602 2.248 0.668 0.866 0.900 0.800 CA 1.532 21 residues pruned to eliminate duplicates Z: 13 24.904 2.229 0.822 0.816 0.917 0.750 CB 1.467 13 residues pruned to eliminate duplicates Z: 6 7.450 1.835 0.355 0.746 0.800 0.400 CB 1.345 6 residues pruned to eliminate duplicates Z: 19 39.396 2.232 1.210 0.877 0.833 0.389 CA 1.640 19 residues pruned to eliminate duplicates Z: 21 23.749 2.145 0.729 0.791 0.800 0.400 CA 1.386 21 residues pruned to eliminate duplicates Z: 16 37.233 2.216 1.090 0.881 1.000 0.467 CA 1.503 16 residues pruned to eliminate duplicates Z: 11 15.270 1.899 0.454 0.785 1.000 0.700 CA 1.360 11 residues pruned to eliminate duplicates Z: 16 17.722 1.891 0.680 0.885 0.867 0.533 CB 1.200 Z: 11 23.209 2.131 0.714 0.898 0.900 0.800 CA 1.597 11 residues pruned to eliminate duplicates Z: 10 6.869 1.997 0.354 0.292 0.778 0.444 CB 1.375 10 residues pruned to eliminate duplicates Z: 17 16.085 1.822 0.681 0.841 0.875 0.562 CB 1.119 15 residues pruned to eliminate duplicates Z: 45 34.782 2.273 0.822 0.525 0.773 0.477 CB 1.599 45 residues pruned to eliminate duplicates Z: 7 7.430 2.038 -0.050 0.708 1.000 0.500 CB 1.297 Z: 131 88.244 2.289 0.962 0.653 0.908 0.554 CA 1.646 129 residues pruned to eliminate duplicates Z: 15 21.272 2.065 0.373 0.889 1.000 0.643 CA 1.444 15 residues pruned to eliminate duplicates Z: 10 8.914 1.695 0.262 0.831 1.000 0.444 CB 1.044 10 residues pruned to eliminate duplicates Z: 6 4.080 1.320 0.521 0.803 1.000 0.600 CB 0.697 6 residues pruned to eliminate duplicates Z: 17 26.503 1.962 0.769 0.865 1.000 0.688 CA 1.398 17 residues pruned to eliminate duplicates Z: 17 23.316 2.093 0.369 0.872 1.000 0.812 CA 1.482 17 residues pruned to eliminate duplicates Z: 9 9.471 1.856 0.319 0.853 0.875 0.750 CA 1.155 Z: 21 35.905 2.271 0.829 0.821 0.900 0.600 CA 1.625 21 residues pruned to eliminate duplicates Z: 16 31.576 2.116 1.093 0.795 0.933 0.467 CA 1.523 16 residues pruned to eliminate duplicates Z: 12 21.986 2.127 0.723 0.885 0.909 0.545 CA 1.436 12 residues pruned to eliminate duplicates Z: 20 38.165 2.339 0.913 0.847 0.895 0.789 CA 1.623 20 residues pruned to eliminate duplicates Z: 12 29.217 2.059 1.224 0.901 0.909 0.727 CA 1.510 12 residues pruned to eliminate duplicates Z: 18 21.437 1.986 0.445 0.869 1.000 0.882 CA 1.324 18 residues pruned to eliminate duplicates Z: 31 18.726 1.931 0.439 0.468 0.967 0.633 CB 1.314 31 residues pruned to eliminate duplicates Z: 11 23.474 2.188 0.567 0.925 1.000 1.000 CA 1.519 11 residues pruned to eliminate duplicates Z: 56 36.819 2.163 0.825 0.458 0.891 0.509 CB 1.474 56 residues pruned to eliminate duplicates Z: 18 20.116 2.017 0.505 0.827 0.941 0.824 CA 1.286 18 residues pruned to eliminate duplicates Z: 22 29.970 2.152 0.933 0.658 0.905 0.286 CB 1.501 22 residues pruned to eliminate duplicates Z: 40 40.482 2.204 0.768 0.637 0.949 0.564 CA 1.542 40 residues pruned to eliminate duplicates Z: 15 25.768 2.006 0.980 0.799 0.929 0.571 CA 1.437 15 residues pruned to eliminate duplicates Z: 14 23.538 1.988 0.952 0.809 1.000 0.538 CA 1.285 14 residues pruned to eliminate duplicates Z: 17 28.561 2.060 0.800 0.862 1.000 0.812 CA 1.414 17 residues pruned to eliminate duplicates Z: 16 17.716 1.891 0.531 0.855 1.000 0.467 CB 1.166 16 residues pruned to eliminate duplicates Z: 7 9.875 1.611 0.735 0.728 1.000 0.667 CA 1.174 7 residues pruned to eliminate duplicates Z: 58 30.762 2.081 0.625 0.438 0.860 0.544 CA 1.495 58 residues pruned to eliminate duplicates Z: 20 34.567 2.241 1.028 0.847 0.947 0.789 CA 1.367 20 residues pruned to eliminate duplicates Z: 19 18.398 1.944 0.473 0.852 0.944 0.833 CA 1.187 19 residues pruned to eliminate duplicates Z: 12 26.780 2.085 0.986 0.877 1.000 0.909 CB 1.416 12 residues pruned to eliminate duplicates Z: 13 24.670 2.092 0.991 0.839 0.917 0.833 CA 1.394 13 residues pruned to eliminate duplicates Z: 16 27.724 1.971 0.812 0.949 1.000 0.933 CA 1.383 16 residues pruned to eliminate duplicates Z: 6 4.767 1.605 0.650 0.468 0.800 0.400 O 1.040 6 residues pruned to eliminate duplicates Z: 6 6.146 1.889 -0.183 0.685 1.000 0.600 N 1.502 Z: 19 19.420 2.077 0.293 0.802 0.944 0.833 CB 1.387 19 residues pruned to eliminate duplicates Z: 21 29.861 2.216 0.616 0.866 0.950 0.750 CA 1.438 21 residues pruned to eliminate duplicates Z: 18 37.335 2.185 0.922 0.893 1.000 0.529 CB 1.548 18 residues pruned to eliminate duplicates Z: 10 14.836 1.964 0.346 0.786 1.000 0.444 CB 1.455 10 residues pruned to eliminate duplicates Z: 12 22.169 1.919 0.722 0.908 1.000 0.636 CA 1.436 12 residues pruned to eliminate duplicates Z: 35 27.728 2.101 1.027 0.476 0.824 0.353 CB 1.389 34 residues pruned to eliminate duplicates Z: 9 6.611 1.608 0.276 0.848 1.000 0.500 CB 0.845 Z: 42 23.773 2.074 0.695 0.492 0.829 0.561 CB 1.284 42 residues pruned to eliminate duplicates Z: 15 21.138 1.850 1.008 0.800 1.000 0.714 CA 1.170 13 residues pruned to eliminate duplicates Z: 7 2.861 1.865 0.062 0.248 0.667 0.500 CA 1.182 Z: 18 19.307 1.999 0.465 0.845 0.941 0.765 CA 1.263 18 residues pruned to eliminate duplicates Z: 7 11.681 2.071 0.589 0.745 0.833 0.833 CB 1.397 Z: 95 71.286 2.287 0.851 0.701 0.926 0.681 CA 1.563 92 residues pruned to eliminate duplicates Z: 23 33.843 2.219 0.725 0.701 0.955 0.773 CB 1.644 23 residues pruned to eliminate duplicates Z: 20 17.755 1.895 0.466 0.820 0.895 0.789 CB 1.241 20 residues pruned to eliminate duplicates Z: 19 16.139 1.817 0.521 0.787 1.000 0.778 CA 1.069 19 residues pruned to eliminate duplicates Z: 9 3.976 1.497 0.496 0.417 0.750 0.625 N 0.913 7 residues pruned to eliminate duplicates Z: 22 14.043 1.813 0.271 0.768 0.857 0.857 CB 1.223 22 residues pruned to eliminate duplicates Z: 11 23.525 2.004 0.614 0.917 1.000 0.800 CA 1.623 11 residues pruned to eliminate duplicates Z: 12 23.422 2.136 0.438 0.919 1.000 0.818 CB 1.620 12 residues pruned to eliminate duplicates Z: 14 18.635 1.851 0.588 0.777 1.000 0.769 CB 1.377 14 residues pruned to eliminate duplicates Z: 99 75.421 2.317 0.901 0.680 0.898 0.653 CA 1.631 99 residues pruned to eliminate duplicates Z: 21 33.551 2.223 1.001 0.812 0.850 0.650 CA 1.513 21 residues pruned to eliminate duplicates Z: 13 19.664 1.939 0.772 0.899 1.000 0.917 CA 1.181 13 residues pruned to eliminate duplicates Z: 16 22.810 2.084 0.760 0.891 0.933 0.933 CA 1.237 16 residues pruned to eliminate duplicates Z: 12 20.659 2.152 0.873 0.871 0.818 0.636 CA 1.377 12 residues pruned to eliminate duplicates Z: 20 33.636 2.269 0.719 0.834 0.947 0.842 CA 1.565 20 residues pruned to eliminate duplicates Z: 12 25.711 2.085 0.877 0.826 1.000 0.636 CB 1.493 12 residues pruned to eliminate duplicates Z: 22 33.937 2.163 0.858 0.843 0.905 0.619 CA 1.517 22 residues pruned to eliminate duplicates Z: 52 23.323 1.912 0.590 0.484 0.863 0.529 CB 1.266 24 residues pruned to eliminate duplicates Z: 17 18.987 1.946 0.534 0.882 1.000 0.812 CA 1.151 17 residues pruned to eliminate duplicates Z: 13 34.925 2.221 0.835 0.925 1.000 0.750 CB 1.736 13 residues pruned to eliminate duplicates Z: 13 19.286 1.920 0.484 0.876 1.000 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 9 22.076 2.121 0.540 0.897 1.000 0.750 CB 1.711 9 residues pruned to eliminate duplicates Z: 20 26.852 2.006 0.809 0.844 0.947 0.632 CB 1.334 20 residues pruned to eliminate duplicates Z: 20 39.861 2.256 0.954 0.859 1.000 0.632 CA 1.527 20 residues pruned to eliminate duplicates Z: 64 33.773 1.996 0.653 0.540 0.952 0.587 CB 1.302 64 residues pruned to eliminate duplicates Z: 133 85.285 2.284 0.878 0.650 0.939 0.606 CA 1.603 133 residues pruned to eliminate duplicates Z: 11 20.365 2.016 0.560 0.885 1.000 0.700 CA 1.479 11 residues pruned to eliminate duplicates Z: 12 12.894 1.654 0.467 0.808 1.000 0.727 CA 1.225 11 residues pruned to eliminate duplicates Z: 93 69.881 2.278 0.845 0.663 0.946 0.674 CA 1.577 93 residues pruned to eliminate duplicates Z: 31 24.081 2.146 0.840 0.519 0.833 0.467 CB 1.312 31 residues pruned to eliminate duplicates Z: 17 19.800 1.900 0.556 0.834 0.938 0.562 CB 1.338 18 residues pruned to eliminate duplicates Z: 11 26.402 2.344 0.940 0.896 1.000 0.400 CB 1.315 11 residues pruned to eliminate duplicates Z: 14 18.802 2.011 0.599 0.805 0.923 0.692 CA 1.346 14 residues pruned to eliminate duplicates Z: 11 23.340 1.955 0.824 0.910 1.000 0.500 CA 1.469 11 residues pruned to eliminate duplicates Z: 15 16.078 1.877 0.281 0.914 1.000 0.929 CB 1.263 16 residues pruned to eliminate duplicates Z: 27 16.923 1.843 0.681 0.454 0.885 0.538 CB 1.269 39 residues pruned to eliminate duplicates Z: 20 25.998 2.277 0.479 0.696 0.947 0.684 CA 1.563 20 residues pruned to eliminate duplicates Z: 14 34.951 2.302 0.950 0.899 1.000 0.846 CA 1.543 14 residues pruned to eliminate duplicates Z: 12 14.806 1.891 0.558 0.878 1.000 0.909 CB 1.099 9 residues pruned to eliminate duplicates Z: 28 28.224 1.998 0.857 0.635 0.926 0.556 CA 1.393 34 residues pruned to eliminate duplicates Z: 8 6.150 1.628 0.778 0.612 1.000 0.571 CB 0.723 11 residues pruned to eliminate duplicates Z: 11 20.181 1.935 0.724 0.909 1.000 0.900 CA 1.358 11 residues pruned to eliminate duplicates Z: 16 24.226 2.073 0.711 0.920 1.000 0.933 CA 1.242 16 residues pruned to eliminate duplicates Z: 16 18.012 1.885 0.506 0.873 0.933 0.400 CB 1.278 15 residues pruned to eliminate duplicates Z: 12 36.560 2.565 0.956 0.873 0.909 0.818 CA 1.760 12 residues pruned to eliminate duplicates Z: 131 77.537 2.274 0.868 0.638 0.885 0.569 CA 1.591 131 residues pruned to eliminate duplicates Z: 13 15.893 2.109 0.181 0.891 1.000 0.917 CA 1.323 13 residues pruned to eliminate duplicates Z: 11 10.465 1.890 0.288 0.869 0.900 0.800 CB 1.104 11 residues pruned to eliminate duplicates Z: 12 18.137 2.004 0.435 0.920 1.000 0.727 CA 1.340 12 residues pruned to eliminate duplicates Z: 19 34.334 2.243 0.862 0.849 0.944 0.556 CA 1.521 19 residues pruned to eliminate duplicates Z: 16 19.625 2.000 0.687 0.784 0.867 0.733 CA 1.350 16 residues pruned to eliminate duplicates Z: 7 8.260 1.740 0.611 0.460 1.000 0.667 CB 1.253 7 residues pruned to eliminate duplicates Z: 55 29.370 1.946 0.727 0.589 0.907 0.593 CB 1.204 56 residues pruned to eliminate duplicates Z: 56 59.798 2.274 0.988 0.710 0.927 0.727 CA 1.589 56 residues pruned to eliminate duplicates Z: 13 20.982 2.041 0.459 0.892 1.000 0.667 CB 1.461 14 residues pruned to eliminate duplicates Z: 9 7.501 1.642 0.849 0.711 0.875 0.375 CA 0.824 9 residues pruned to eliminate duplicates Z: 36 37.764 2.257 0.781 0.525 0.971 0.629 CA 1.595 36 residues pruned to eliminate duplicates Z: 105 77.759 2.274 0.934 0.671 0.942 0.663 CA 1.570 105 residues pruned to eliminate duplicates Z: 12 11.643 1.780 0.354 0.739 0.818 0.636 CA 1.437 12 residues pruned to eliminate duplicates Z: 8 4.647 1.627 0.798 0.496 0.857 0.571 CB 0.703 8 residues pruned to eliminate duplicates Z: 21 33.356 2.249 0.780 0.849 0.950 0.750 CA 1.454 21 residues pruned to eliminate duplicates Z: 45 40.250 2.114 0.933 0.553 0.909 0.455 CB 1.551 45 residues pruned to eliminate duplicates Z: 12 25.413 1.980 0.950 0.897 1.000 0.545 CB 1.420 12 residues pruned to eliminate duplicates Z: 16 30.014 2.012 0.836 0.935 1.000 0.800 CA 1.461 17 residues pruned to eliminate duplicates Z: 18 26.284 2.096 0.620 0.873 0.941 0.706 CA 1.453 18 residues pruned to eliminate duplicates Z: 12 19.362 1.900 0.571 0.833 0.909 0.818 CB 1.614 12 residues pruned to eliminate duplicates Z: 11 13.786 2.000 0.333 0.874 1.000 0.800 CA 1.190 11 residues pruned to eliminate duplicates Z: 140 84.611 2.245 0.952 0.645 0.906 0.612 CA 1.577 143 residues pruned to eliminate duplicates Z: 15 18.069 1.935 0.606 0.890 1.000 0.500 CB 1.118 16 residues pruned to eliminate duplicates Z: 37 29.042 2.268 0.674 0.483 0.833 0.528 CB 1.557 37 residues pruned to eliminate duplicates Z: 20 41.860 2.341 1.001 0.886 0.895 0.737 CA 1.654 20 residues pruned to eliminate duplicates Z: 15 18.752 2.167 1.052 0.599 0.714 0.500 CA 1.436 15 residues pruned to eliminate duplicates Z: 98 63.844 2.213 0.727 0.696 0.897 0.649 CA 1.582 98 residues pruned to eliminate duplicates Z: 82 75.353 2.291 1.021 0.678 0.938 0.580 CA 1.637 87 residues pruned to eliminate duplicates Z: 21 11.809 1.861 0.560 0.421 0.900 0.700 CB 1.096 21 residues pruned to eliminate duplicates Z: 12 22.704 1.900 0.794 0.899 0.909 0.727 CB 1.579 12 residues pruned to eliminate duplicates Z: 93 78.358 2.283 0.858 0.728 0.957 0.587 CB 1.641 93 residues pruned to eliminate duplicates Z: 7 3.950 1.626 0.324 0.346 1.000 0.500 CB 0.886 Z: 8 14.389 1.691 0.930 0.720 1.000 0.714 CA 1.366 8 residues pruned to eliminate duplicates Z: 6 4.661 1.748 0.409 0.520 0.600 0.600 CB 1.383 Z: 13 21.282 2.069 0.952 0.876 0.917 0.833 CA 1.206 13 residues pruned to eliminate duplicates Z: 17 16.787 1.891 0.374 0.844 0.938 0.812 CB 1.282 15 residues pruned to eliminate duplicates Z: 143 77.115 2.244 0.741 0.638 0.915 0.669 CB 1.590 143 residues pruned to eliminate duplicates Z: 11 16.390 1.857 0.647 0.895 1.000 0.700 CB 1.215 11 residues pruned to eliminate duplicates Z: 44 19.684 1.904 0.576 0.439 0.884 0.465 CB 1.206 44 residues pruned to eliminate duplicates Z: 12 18.867 1.876 0.414 0.871 1.000 0.818 CB 1.564 12 residues pruned to eliminate duplicates Z: 12 36.063 2.287 1.437 0.887 1.000 0.273 CB 1.407 12 residues pruned to eliminate duplicates Z: 15 25.494 2.071 0.818 0.925 1.000 0.786 CA 1.270 15 residues pruned to eliminate duplicates Z: 19 33.635 2.145 0.894 0.834 1.000 0.278 CA 1.462 19 residues pruned to eliminate duplicates Z: 23 20.138 1.871 0.690 0.612 1.000 0.773 CB 1.221 23 residues pruned to eliminate duplicates Z: 12 26.312 2.024 1.053 0.920 0.909 0.818 CA 1.479 12 residues pruned to eliminate duplicates Z: 33 14.254 1.861 0.548 0.363 0.875 0.531 CB 1.158 33 residues pruned to eliminate duplicates Z: 13 25.111 2.027 1.108 0.919 0.917 0.833 CA 1.305 13 residues pruned to eliminate duplicates Z: 18 34.392 2.171 1.079 0.884 0.882 0.529 CB 1.514 18 residues pruned to eliminate duplicates Z: 8 13.759 1.772 0.520 0.884 1.000 0.714 CB 1.395 8 residues pruned to eliminate duplicates Z: 11 19.847 1.963 0.675 0.870 0.900 0.700 CB 1.548 11 residues pruned to eliminate duplicates Z: 7 9.345 1.791 0.642 0.528 1.000 0.833 CA 1.262 Z: 6 5.892 1.911 0.159 0.575 0.800 0.400 CB 1.383 Z: 34 24.765 2.035 0.627 0.494 0.970 0.515 CB 1.352 34 residues pruned to eliminate duplicates Z: 12 26.045 2.300 0.603 0.873 1.000 0.818 CA 1.553 12 residues pruned to eliminate duplicates Z: 16 24.888 2.032 0.730 0.736 1.000 0.733 CA 1.479 16 residues pruned to eliminate duplicates Z: 11 16.662 1.768 0.731 0.847 1.000 0.600 CB 1.278 11 residues pruned to eliminate duplicates Z: 11 13.987 1.825 0.416 0.851 1.000 0.800 CA 1.267 11 residues pruned to eliminate duplicates Z: 88 82.202 2.315 0.924 0.753 0.954 0.701 CB 1.655 96 residues pruned to eliminate duplicates Z: 17 15.933 1.951 0.742 0.437 0.938 0.562 CA 1.334 17 residues pruned to eliminate duplicates Z: 17 18.977 1.975 0.690 0.832 0.875 0.562 CA 1.220 17 residues pruned to eliminate duplicates Z: 93 83.446 2.312 1.053 0.720 0.913 0.543 CA 1.645 93 residues pruned to eliminate duplicates Z: 14 17.959 1.789 0.677 0.876 0.923 0.846 CA 1.307 14 residues pruned to eliminate duplicates Z: 17 41.169 2.343 1.294 0.861 0.938 0.312 CB 1.501 17 residues pruned to eliminate duplicates Z: 8 4.387 1.726 0.435 0.347 0.714 0.571 CB 1.107 Z: 69 27.594 1.938 0.669 0.448 0.897 0.574 CB 1.216 69 residues pruned to eliminate duplicates Z: 16 7.322 1.727 0.499 0.444 0.933 0.667 CB 0.829 Z: 12 33.352 2.404 0.951 0.882 0.909 0.727 CB 1.707 12 residues pruned to eliminate duplicates Z: 21 33.642 2.232 0.718 0.860 1.000 0.850 CA 1.442 21 residues pruned to eliminate duplicates Z: 6 3.486 1.699 0.258 0.298 1.000 0.400 CB 0.913 Z: 6 2.856 1.378 0.592 0.700 0.800 0.400 N 0.607 Z: 13 20.265 1.875 0.924 0.909 1.000 0.750 CA 1.151 13 residues pruned to eliminate duplicates Z: 19 24.545 1.988 0.705 0.840 0.889 0.611 CB 1.433 19 residues pruned to eliminate duplicates Z: 10 15.862 2.048 0.323 0.911 1.000 1.000 CA 1.383 10 residues pruned to eliminate duplicates Z: 10 15.192 1.828 0.486 0.840 1.000 0.778 CB 1.391 10 residues pruned to eliminate duplicates Z: 18 33.276 2.323 0.936 0.861 0.882 0.588 CA 1.495 18 residues pruned to eliminate duplicates Z: 13 13.164 1.838 0.431 0.710 0.833 0.750 CA 1.432 13 residues pruned to eliminate duplicates Z: 8 8.838 1.853 0.313 0.869 0.714 0.714 CB 1.405 8 residues pruned to eliminate duplicates Z: 10 16.294 1.963 0.509 0.870 1.000 0.667 CA 1.339 10 residues pruned to eliminate duplicates Z: 8 6.429 1.717 0.075 0.868 0.857 0.714 CB 1.123 8 residues pruned to eliminate duplicates Z: 13 41.488 2.373 1.219 0.854 1.000 0.667 CA 1.680 13 residues pruned to eliminate duplicates Z: 17 22.696 2.028 0.793 0.753 0.812 0.688 CA 1.534 17 residues pruned to eliminate duplicates Z: 17 32.751 2.333 0.775 0.911 0.938 0.812 CA 1.494 17 residues pruned to eliminate duplicates Z: 13 22.551 1.921 0.780 0.894 1.000 0.667 CA 1.365 13 residues pruned to eliminate duplicates Z: 11 6.554 1.790 0.086 0.745 0.800 0.500 CB 1.070 11 residues pruned to eliminate duplicates Z: 18 26.765 2.045 0.895 0.842 0.941 0.647 CA 1.326 18 residues pruned to eliminate duplicates Z: 44 35.973 2.090 0.852 0.562 0.930 0.651 CB 1.434 44 residues pruned to eliminate duplicates Z: 20 13.354 1.925 0.376 0.472 0.947 0.632 CB 1.257 20 residues pruned to eliminate duplicates Z: 6 6.460 1.723 0.476 0.692 1.000 0.600 CA 0.953 6 residues pruned to eliminate duplicates Z: 28 17.925 1.881 0.407 0.601 0.889 0.593 CB 1.332 23 residues pruned to eliminate duplicates Z: 11 12.761 1.902 0.455 0.911 1.000 1.000 CB 1.034 11 residues pruned to eliminate duplicates Z: 107 73.562 2.278 0.840 0.652 0.915 0.613 CA 1.617 107 residues pruned to eliminate duplicates Z: 22 9.890 1.795 0.328 0.390 0.857 0.524 CB 1.188 22 residues pruned to eliminate duplicates Z: 9 8.283 1.635 0.477 0.842 1.000 0.625 CB 0.903 9 residues pruned to eliminate duplicates Z: 14 17.949 1.890 0.382 0.889 1.000 0.923 CB 1.372 14 residues pruned to eliminate duplicates Z: 10 5.256 1.856 0.771 0.316 0.889 0.667 CB 0.734 10 residues pruned to eliminate duplicates Z: 12 8.818 1.867 0.459 0.356 0.909 0.545 CB 1.254 12 residues pruned to eliminate duplicates Z: 8 8.091 1.624 0.261 0.784 0.857 0.714 CB 1.357 8 residues pruned to eliminate duplicates Z: 13 33.884 2.249 0.888 0.926 1.000 0.917 CA 1.616 13 residues pruned to eliminate duplicates Z: 23 31.626 2.106 0.678 0.865 0.955 0.682 CA 1.464 23 residues pruned to eliminate duplicates Z: 11 16.444 1.876 0.825 0.930 1.000 0.600 CB 1.062 11 residues pruned to eliminate duplicates Z: 15 6.938 1.699 0.316 0.402 0.929 0.714 CB 0.990 15 residues pruned to eliminate duplicates Z: 32 15.938 1.893 0.672 0.436 0.774 0.387 CB 1.249 32 residues pruned to eliminate duplicates Z: 22 36.580 2.212 0.901 0.867 0.905 0.524 CA 1.535 22 residues pruned to eliminate duplicates Z: 6 9.776 1.909 0.607 0.750 0.800 0.800 CB 1.426 6 residues pruned to eliminate duplicates Z: 12 23.611 2.012 0.757 0.914 1.000 0.727 CA 1.424 12 residues pruned to eliminate duplicates Z: 28 22.424 1.866 0.557 0.641 0.963 0.704 CB 1.352 21 residues pruned to eliminate duplicates Z: 14 29.388 2.100 0.982 0.846 1.000 0.615 CA 1.455 14 residues pruned to eliminate duplicates Z: 8 7.275 1.846 0.605 0.438 0.857 0.857 CB 1.154 14 residues pruned to eliminate duplicates Z: 36 28.639 2.097 0.740 0.533 0.886 0.600 CB 1.450 36 residues pruned to eliminate duplicates Z: 20 22.751 1.983 0.859 0.876 0.789 0.526 CB 1.303 20 residues pruned to eliminate duplicates Z: 13 38.865 2.260 1.073 0.930 1.000 0.750 CA 1.674 13 residues pruned to eliminate duplicates Z: 12 17.722 1.845 0.544 0.890 0.909 0.909 CB 1.485 12 residues pruned to eliminate duplicates Z: 6 9.766 2.210 -0.100 0.872 1.000 0.600 CB 1.600 6 residues pruned to eliminate duplicates Z: 10 11.979 1.929 0.120 0.855 1.000 0.889 CB 1.365 10 residues pruned to eliminate duplicates Z: 15 14.844 1.768 0.515 0.800 1.000 0.786 CA 1.139 15 residues pruned to eliminate duplicates Z: 55 45.615 2.292 0.771 0.544 0.963 0.630 CA 1.521 55 residues pruned to eliminate duplicates Z: 15 26.831 2.081 1.166 0.867 0.857 0.500 CB 1.358 15 residues pruned to eliminate duplicates Z: 55 33.526 2.137 0.543 0.475 0.944 0.500 CA 1.503 55 residues pruned to eliminate duplicates Z: 167 73.695 2.204 0.752 0.569 0.886 0.596 CB 1.566 167 residues pruned to eliminate duplicates Z: 6 5.556 1.825 0.136 0.816 0.800 0.400 CA 1.139 Z: 70 33.713 2.029 0.710 0.492 0.884 0.638 CB 1.334 70 residues pruned to eliminate duplicates Z: 14 7.317 1.784 0.716 0.291 0.692 0.462 N 1.211 Z: 8 12.156 2.120 0.307 0.861 0.857 0.571 CB 1.421 8 residues pruned to eliminate duplicates Z: 21 22.656 1.853 0.578 0.836 1.000 0.800 CA 1.297 21 residues pruned to eliminate duplicates Z: 21 13.735 1.812 0.695 0.593 0.750 0.600 CA 1.220 21 residues pruned to eliminate duplicates Z: 9 6.601 1.593 1.098 0.365 0.750 0.375 CB 1.076 9 residues pruned to eliminate duplicates Z: 26 26.182 2.290 0.644 0.570 0.920 0.720 CA 1.413 26 residues pruned to eliminate duplicates Z: 9 6.576 1.582 0.256 0.792 1.000 0.750 CB 0.906 9 residues pruned to eliminate duplicates Z: 13 23.215 1.875 0.884 0.885 1.000 0.667 CA 1.369 13 residues pruned to eliminate duplicates Z: 18 21.266 2.017 0.694 0.856 1.000 0.824 CA 1.114 18 residues pruned to eliminate duplicates Z: 10 11.342 1.876 0.499 0.770 0.889 0.667 CB 1.191 9 residues pruned to eliminate duplicates Z: 15 22.771 2.094 0.460 0.889 1.000 0.929 CA 1.434 15 residues pruned to eliminate duplicates Z: 12 17.380 1.873 0.518 0.903 1.000 0.818 CB 1.314 12 residues pruned to eliminate duplicates Z: 22 24.491 2.129 0.510 0.835 0.905 0.810 CA 1.376 22 residues pruned to eliminate duplicates Z: 132 81.426 2.235 0.918 0.660 0.908 0.649 CB 1.574 132 residues pruned to eliminate duplicates Z: 10 6.486 1.773 0.192 0.776 0.778 0.667 CB 1.031 10 residues pruned to eliminate duplicates Z: 14 18.920 1.938 0.912 0.837 0.923 0.692 CA 1.148 14 residues pruned to eliminate duplicates Z: 13 16.011 1.799 0.438 0.863 1.000 0.833 CB 1.311 13 residues pruned to eliminate duplicates Z: 17 20.093 2.023 0.397 0.853 1.000 0.812 CA 1.313 17 residues pruned to eliminate duplicates Z: 7 6.517 1.799 -0.026 0.893 1.000 1.000 CB 1.090 7 residues pruned to eliminate duplicates Z: 39 29.293 2.123 0.811 0.528 0.816 0.553 CB 1.474 39 residues pruned to eliminate duplicates Z: 16 19.896 1.947 0.976 0.749 0.867 0.600 CA 1.233 16 residues pruned to eliminate duplicates Z: 6 2.460 1.660 0.035 0.380 0.600 0.600 CA 1.213 Z: 9 15.386 2.160 0.416 0.879 1.000 0.875 CA 1.290 9 residues pruned to eliminate duplicates Z: 13 18.886 2.145 0.160 0.928 1.000 1.000 CA 1.534 13 residues pruned to eliminate duplicates Z: 7 5.218 1.668 0.353 0.601 0.833 0.500 CB 1.029 Z: 12 23.534 2.155 1.223 0.923 0.909 0.727 CB 1.146 12 residues pruned to eliminate duplicates Z: 13 11.781 1.855 0.430 0.852 0.917 0.833 CA 1.035 13 residues pruned to eliminate duplicates Z: 22 34.928 2.172 0.942 0.829 0.905 0.571 CA 1.502 22 residues pruned to eliminate duplicates Z: 15 21.876 2.012 0.675 0.895 0.929 0.571 CA 1.340 15 residues pruned to eliminate duplicates Z: 17 20.068 1.847 0.598 0.871 0.938 0.688 CB 1.323 17 residues pruned to eliminate duplicates Z: 7 7.042 1.483 0.832 0.819 0.667 0.500 CA 1.203 Z: 49 24.860 1.974 0.461 0.470 0.938 0.667 CB 1.369 49 residues pruned to eliminate duplicates Z: 8 10.911 1.760 0.328 0.761 1.000 0.571 O 1.399 8 residues pruned to eliminate duplicates Z: 8 7.738 1.772 0.047 0.844 1.000 0.857 CB 1.174 8 residues pruned to eliminate duplicates Z: 10 4.199 1.528 0.818 0.310 0.556 0.444 N 1.119 Z: 6 2.954 1.872 0.294 0.130 0.800 0.400 CB 1.082 Z: 13 19.471 1.918 0.824 0.830 1.000 0.750 CA 1.208 13 residues pruned to eliminate duplicates Z: 12 27.016 2.025 1.004 0.931 1.000 0.818 CA 1.403 12 residues pruned to eliminate duplicates Z: 6 2.869 1.561 0.166 0.403 0.800 0.400 CB 0.976 Z: 6 3.978 1.765 0.033 0.617 0.800 0.600 CB 1.093 6 residues pruned to eliminate duplicates 6 1.989 1.725 -0.213 0.337 0.600 0.400 CA 1.303 ? Z: 31 26.484 2.266 0.648 0.511 0.833 0.533 CB 1.538 31 residues pruned to eliminate duplicates Z: 14 25.942 2.210 0.433 0.921 1.000 0.923 CA 1.599 14 residues pruned to eliminate duplicates Z: 17 17.642 1.878 0.517 0.811 0.938 0.688 CB 1.260 17 residues pruned to eliminate duplicates Z: 8 7.392 1.781 0.527 0.901 0.857 0.714 CB 0.856 8 residues pruned to eliminate duplicates Z: 19 21.824 1.959 0.758 0.843 0.944 0.778 CA 1.177 19 residues pruned to eliminate duplicates 6 1.662 1.522 0.315 0.321 0.800 0.600 CB 0.566 ? Z: 36 27.517 2.092 0.946 0.427 0.886 0.514 CA 1.391 36 residues pruned to eliminate duplicates Z: 13 16.451 1.861 0.820 0.866 1.000 0.833 CB 1.027 13 residues pruned to eliminate duplicates Z: 11 4.700 1.569 0.222 0.526 0.900 0.500 CB 0.840 Z: 11 19.959 1.997 0.710 0.891 0.800 0.800 CB 1.661 11 residues pruned to eliminate duplicates Z: 97 73.572 2.237 0.938 0.680 0.906 0.615 CA 1.620 97 residues pruned to eliminate duplicates Z: 12 12.775 1.816 0.467 0.770 0.909 0.364 CB 1.252 12 residues pruned to eliminate duplicates Z: 7 2.589 1.422 0.262 0.273 0.667 0.167 C 1.142 Z: 126 89.059 2.282 0.948 0.663 0.944 0.568 CB 1.632 126 residues pruned to eliminate duplicates Z: 11 15.408 1.881 0.467 0.861 0.900 0.700 CA 1.441 11 residues pruned to eliminate duplicates Z: 11 15.519 1.971 0.423 0.884 1.000 0.900 CA 1.265 11 residues pruned to eliminate duplicates Z: 12 13.231 1.808 0.352 0.812 1.000 0.636 CB 1.244 12 residues pruned to eliminate duplicates Z: 9 3.658 1.654 0.655 0.178 0.625 0.500 CB 1.115 9 residues pruned to eliminate duplicates Z: 49 47.615 2.309 0.717 0.705 0.979 0.667 CA 1.469 49 residues pruned to eliminate duplicates Z: 19 33.366 2.286 0.812 0.853 0.889 0.667 CA 1.579 19 residues pruned to eliminate duplicates Z: 17 19.265 2.020 0.764 0.842 0.875 0.812 CA 1.151 17 residues pruned to eliminate duplicates Z: 14 12.049 1.774 0.388 0.787 0.846 0.769 CA 1.246 14 residues pruned to eliminate duplicates Z: 8 9.772 1.862 1.050 0.468 0.714 0.571 CB 1.400 Z: 56 43.075 2.113 0.708 0.678 0.909 0.727 CB 1.503 56 residues pruned to eliminate duplicates Z: 9 2.512 1.197 0.450 0.288 0.625 0.375 CA 1.039 Z: 14 12.246 1.781 0.547 0.610 0.769 0.615 CA 1.443 14 residues pruned to eliminate duplicates Z: 11 15.881 1.762 0.539 0.866 1.000 0.900 CB 1.356 10 residues pruned to eliminate duplicates Z: 14 12.427 1.777 0.519 0.828 1.000 0.846 CB 0.961 14 residues pruned to eliminate duplicates Z: 6 5.442 1.772 0.636 0.450 1.000 0.800 CB 0.884 Z: 9 6.183 1.958 0.651 0.318 0.875 0.375 CB 0.944 6 0.849 0.915 -0.027 0.528 0.800 0.600 CB 0.518 ? Z: 20 12.051 1.934 0.413 0.317 0.895 0.737 CB 1.385 20 residues pruned to eliminate duplicates Z: 6 2.506 1.628 0.076 0.299 0.800 0.600 CB 1.002 Z: 12 17.703 1.962 0.526 0.881 1.000 0.818 CA 1.291 12 residues pruned to eliminate duplicates Z: 106 65.392 2.158 0.717 0.672 0.924 0.657 CA 1.590 99 residues pruned to eliminate duplicates Z: 9 8.803 1.628 0.506 0.819 1.000 0.625 CB 0.962 9 residues pruned to eliminate duplicates Z: 9 9.089 1.700 0.385 0.897 1.000 0.750 CB 0.977 9 residues pruned to eliminate duplicates Z: 9 8.965 1.813 0.519 0.828 0.875 0.750 CB 0.991 10 residues pruned to eliminate duplicates Z: 11 17.124 2.056 0.457 0.897 1.000 0.900 CA 1.294 11 residues pruned to eliminate duplicates Z: 12 27.197 2.221 1.047 0.910 1.000 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 11 13.206 1.772 0.351 0.867 1.000 0.700 CA 1.276 12 residues pruned to eliminate duplicates Z: 9 8.720 1.635 0.774 0.381 1.000 0.625 CB 1.207 Z: 14 6.574 1.735 0.599 0.409 0.692 0.462 CA 1.044 14 residues pruned to eliminate duplicates Z: 28 17.290 1.818 0.565 0.483 0.963 0.667 CB 1.235 28 residues pruned to eliminate duplicates Z: 136 84.152 2.261 1.008 0.610 0.896 0.570 CB 1.603 140 residues pruned to eliminate duplicates Z: 13 14.555 1.722 0.411 0.881 1.000 0.833 CA 1.252 13 residues pruned to eliminate duplicates Z: 8 13.843 2.108 0.528 0.825 0.857 0.714 CB 1.430 8 residues pruned to eliminate duplicates Z: 14 19.833 2.004 0.730 0.829 0.923 0.769 CA 1.294 14 residues pruned to eliminate duplicates Z: 14 27.901 1.953 1.098 0.906 1.000 0.615 CA 1.343 14 residues pruned to eliminate duplicates Z: 14 21.971 1.924 0.656 0.894 1.000 0.692 CB 1.372 14 residues pruned to eliminate duplicates Z: 43 37.680 2.151 0.853 0.600 0.905 0.738 CB 1.466 43 residues pruned to eliminate duplicates Z: 10 11.348 1.780 0.425 0.833 0.889 0.667 CB 1.258 10 residues pruned to eliminate duplicates Z: 11 19.722 1.863 0.788 0.890 0.900 0.700 CB 1.497 11 residues pruned to eliminate duplicates Z: 8 8.705 1.639 0.697 0.641 0.857 0.571 CB 1.210 Z: 11 6.463 1.736 0.623 0.397 0.600 0.400 CB 1.348 11 residues pruned to eliminate duplicates Z: 15 20.277 1.971 0.856 0.855 0.857 0.500 CA 1.276 15 residues pruned to eliminate duplicates Z: 11 16.953 1.787 0.998 0.885 0.800 0.300 CA 1.355 11 residues pruned to eliminate duplicates Z: 37 25.181 1.984 0.693 0.571 0.833 0.556 CA 1.400 37 residues pruned to eliminate duplicates Z: 40 36.762 2.083 0.883 0.616 0.846 0.564 CA 1.590 40 residues pruned to eliminate duplicates Z: 18 20.935 1.938 0.726 0.836 0.824 0.706 CA 1.380 18 residues pruned to eliminate duplicates Z: 11 22.903 1.943 0.929 0.837 1.000 0.800 CA 1.446 11 residues pruned to eliminate duplicates Z: 29 10.490 1.674 0.703 0.334 0.857 0.571 CB 0.973 29 residues pruned to eliminate duplicates Z: 13 12.051 1.826 0.732 0.759 0.750 0.333 CB 1.165 13 residues pruned to eliminate duplicates Z: 20 23.948 1.987 0.783 0.879 0.947 0.684 CB 1.187 20 residues pruned to eliminate duplicates Z: 10 5.684 1.790 0.307 0.366 0.778 0.333 N 1.202 8 residues pruned to eliminate duplicates Z: 7 2.808 1.129 0.956 0.537 1.000 0.667 N 0.500 Z: 15 17.265 2.183 0.729 0.431 0.929 0.429 CB 1.414 15 residues pruned to eliminate duplicates Z: 25 24.762 2.132 0.663 0.540 0.917 0.583 CB 1.496 25 residues pruned to eliminate duplicates Z: 13 9.256 1.664 0.250 0.772 0.917 0.750 CB 1.102 13 residues pruned to eliminate duplicates Z: 53 51.531 2.229 0.840 0.686 0.923 0.712 CA 1.592 53 residues pruned to eliminate duplicates Z: 19 43.618 2.253 1.385 0.890 0.944 0.611 CB 1.458 19 residues pruned to eliminate duplicates Z: 8 5.735 1.353 0.792 0.605 1.000 0.571 CA 0.809 Z: 44 36.284 2.054 0.812 0.593 0.884 0.465 CA 1.539 44 residues pruned to eliminate duplicates 8 1.716 1.461 0.627 0.314 0.429 0.286 N 0.782 ? Z: 21 19.340 2.140 0.996 0.433 0.850 0.550 CA 1.277 21 residues pruned to eliminate duplicates Z: 20 25.189 1.959 0.691 0.860 0.947 0.579 CB 1.354 20 residues pruned to eliminate duplicates Z: 9 11.729 1.819 0.755 0.541 1.000 0.875 CB 1.248 Z: 6 2.035 1.445 0.251 0.329 0.800 0.200 CB 0.759 Z: 54 54.842 2.222 1.002 0.685 0.925 0.528 CA 1.545 54 residues pruned to eliminate duplicates Z: 13 12.274 1.785 0.544 0.792 0.917 0.833 CA 1.085 13 residues pruned to eliminate duplicates Z: 10 3.835 1.401 0.696 0.273 0.667 0.333 CB 1.044 Z: 40 31.255 2.051 0.862 0.596 0.897 0.667 CB 1.333 40 residues pruned to eliminate duplicates Z: 12 13.674 1.872 0.843 0.566 0.818 0.545 CA 1.371 28 residues pruned to eliminate duplicates Z: 15 15.874 1.900 0.778 0.597 0.857 0.429 CB 1.336 15 residues pruned to eliminate duplicates Z: 10 5.577 1.512 0.484 0.411 0.889 0.556 CA 1.023 9 residues pruned to eliminate duplicates Z: 72 39.255 2.150 0.715 0.465 0.873 0.479 CB 1.499 72 residues pruned to eliminate duplicates Z: 8 11.239 1.959 0.761 0.810 0.857 0.286 CB 1.097 8 residues pruned to eliminate duplicates Z: 9 12.235 1.669 0.767 0.741 0.875 0.500 CB 1.351 9 residues pruned to eliminate duplicates Z: 16 14.449 1.814 0.189 0.901 1.000 0.933 CB 1.235 16 residues pruned to eliminate duplicates Z: 9 9.388 2.251 0.922 0.199 0.875 0.500 CB 1.255 7 residues pruned to eliminate duplicates Z: 45 50.988 2.293 0.963 0.694 0.909 0.523 CA 1.574 45 residues pruned to eliminate duplicates Z: 97 75.856 2.314 1.081 0.640 0.865 0.552 CA 1.631 97 residues pruned to eliminate duplicates Z: 15 18.660 1.852 0.413 0.899 1.000 0.786 CB 1.361 15 residues pruned to eliminate duplicates Z: 8 6.988 1.620 0.158 0.855 1.000 0.714 CB 1.039 8 residues pruned to eliminate duplicates Z: 13 14.260 1.768 0.714 0.855 1.000 0.750 CB 1.002 13 residues pruned to eliminate duplicates Z: 37 26.488 1.977 0.794 0.544 0.833 0.500 CB 1.431 37 residues pruned to eliminate duplicates Z: 8 2.056 1.506 0.718 0.258 0.714 0.571 CB 0.555 Z: 37 38.366 2.261 0.817 0.591 0.917 0.750 CA 1.557 37 residues pruned to eliminate duplicates Z: 17 20.071 2.365 0.565 0.567 0.938 0.625 CA 1.355 17 residues pruned to eliminate duplicates Z: 38 24.147 1.977 0.725 0.548 0.838 0.541 CB 1.326 38 residues pruned to eliminate duplicates Z: 13 31.348 2.210 0.763 0.889 1.000 0.917 CA 1.671 13 residues pruned to eliminate duplicates Z: 13 10.226 1.745 0.246 0.793 0.833 0.667 CB 1.259 11 residues pruned to eliminate duplicates Z: 39 55.123 2.366 1.085 0.659 0.895 0.711 CA 1.748 39 residues pruned to eliminate duplicates Z: 12 11.096 1.796 0.206 0.801 0.909 0.545 CB 1.306 12 residues pruned to eliminate duplicates Z: 24 14.786 1.798 0.625 0.618 0.870 0.435 CB 1.085 21 residues pruned to eliminate duplicates Z: 18 11.152 1.708 0.565 0.552 0.941 0.647 CB 1.022 18 residues pruned to eliminate duplicates Z: 17 17.419 1.936 0.815 0.622 0.812 0.625 CB 1.360 17 residues pruned to eliminate duplicates Z: 97 75.214 2.286 0.909 0.709 0.917 0.542 CA 1.587 97 residues pruned to eliminate duplicates Z: 24 28.402 2.059 0.912 0.772 0.870 0.652 CB 1.360 24 residues pruned to eliminate duplicates Z: 15 18.906 1.803 0.563 0.910 1.000 0.857 CB 1.271 15 residues pruned to eliminate duplicates Z: 12 10.300 1.843 0.365 0.774 0.818 0.636 CB 1.184 12 residues pruned to eliminate duplicates 6 1.173 1.241 -0.197 0.486 0.800 0.600 CB 0.667 ? Z: 15 18.677 1.775 0.881 0.873 0.929 0.500 CA 1.172 15 residues pruned to eliminate duplicates Z: 19 20.567 1.828 0.750 0.872 1.000 0.667 CA 1.105 19 residues pruned to eliminate duplicates Z: 6 3.941 1.168 0.566 0.828 1.000 0.800 N 0.726 Z: 62 55.395 2.315 0.830 0.566 0.918 0.557 CB 1.711 62 residues pruned to eliminate duplicates Z: 98 82.100 2.301 0.978 0.707 0.948 0.598 CB 1.599 98 residues pruned to eliminate duplicates Z: 9 5.339 1.560 0.724 0.271 0.750 0.375 CB 1.214 Z: 26 21.470 2.026 0.751 0.548 0.840 0.440 CB 1.375 26 residues pruned to eliminate duplicates Z: 55 55.371 2.206 0.936 0.711 0.907 0.796 CA 1.606 55 residues pruned to eliminate duplicates Z: 11 29.041 2.133 0.630 0.927 1.000 0.800 CB 1.851 11 residues pruned to eliminate duplicates Z: 9 4.555 1.431 0.248 0.504 0.875 0.750 CB 1.027 Z: 6 2.519 1.407 0.336 0.291 0.800 0.600 CB 0.947 Z: 21 9.634 1.810 0.530 0.348 0.800 0.600 CB 1.146 21 residues pruned to eliminate duplicates Z: 11 17.670 1.847 0.587 0.875 1.000 0.800 CB 1.387 11 residues pruned to eliminate duplicates Z: 42 22.480 1.909 0.661 0.531 0.927 0.634 CB 1.159 41 residues pruned to eliminate duplicates Z: 6 3.410 1.268 -0.085 0.800 1.000 0.800 C 1.011 Z: 10 9.998 1.785 0.575 0.758 1.000 0.444 CB 0.943 10 residues pruned to eliminate duplicates Z: 20 7.052 1.858 0.063 0.352 0.895 0.474 CB 1.075 20 residues pruned to eliminate duplicates Z: 12 26.596 1.956 1.070 0.913 1.000 0.545 CA 1.402 12 residues pruned to eliminate duplicates Z: 20 14.677 1.772 0.720 0.491 0.947 0.684 CB 1.176 20 residues pruned to eliminate duplicates Z: 10 3.520 1.425 0.266 0.335 0.889 0.667 N 0.876 Z: 15 7.070 1.766 0.442 0.326 0.929 0.714 CB 0.967 15 residues pruned to eliminate duplicates Z: 76 57.737 2.218 0.726 0.697 0.947 0.693 CA 1.537 76 residues pruned to eliminate duplicates Z: 6 9.533 1.891 0.578 0.722 0.800 0.600 CB 1.461 6 residues pruned to eliminate duplicates Z: 12 10.071 1.969 0.880 0.375 0.636 0.545 CB 1.474 12 residues pruned to eliminate duplicates Z: 6 7.262 1.733 0.861 0.674 0.600 0.400 CB 1.429 6 residues pruned to eliminate duplicates Z: 7 3.432 1.440 0.858 0.354 0.667 0.500 CB 0.920 Z: 14 17.874 1.841 0.613 0.862 0.923 0.538 CB 1.328 14 residues pruned to eliminate duplicates Z: 94 64.504 2.247 0.787 0.656 0.914 0.656 CB 1.577 94 residues pruned to eliminate duplicates Z: 9 25.208 2.098 1.066 0.814 1.000 0.250 CB 1.565 9 residues pruned to eliminate duplicates Z: 13 10.215 1.769 0.692 0.437 0.833 0.417 CB 1.262 13 residues pruned to eliminate duplicates Z: 12 28.892 2.197 1.060 0.905 1.000 0.727 CA 1.370 12 residues pruned to eliminate duplicates Z: 20 18.804 1.990 0.651 0.600 0.842 0.737 CB 1.417 20 residues pruned to eliminate duplicates Z: 73 60.175 2.276 0.762 0.698 0.917 0.639 CA 1.611 73 residues pruned to eliminate duplicates Z: 6 6.663 1.698 0.053 0.675 1.000 0.600 CA 1.417 7 residues pruned to eliminate duplicates Z: 6 6.463 1.710 -0.008 0.821 1.000 0.600 CB 1.289 6 residues pruned to eliminate duplicates Z: 15 7.059 1.857 0.438 0.249 1.000 0.714 CB 0.943 15 residues pruned to eliminate duplicates Z: 13 13.198 1.764 0.573 0.780 0.917 0.500 CB 1.170 13 residues pruned to eliminate duplicates Z: 29 13.201 1.768 0.581 0.404 0.929 0.607 CB 1.063 29 residues pruned to eliminate duplicates Z: 11 6.432 1.745 0.473 0.357 0.700 0.600 CB 1.319 11 residues pruned to eliminate duplicates Z: 18 25.074 2.149 0.507 0.875 0.941 0.824 CB 1.451 18 residues pruned to eliminate duplicates Z: 12 20.688 2.028 0.404 0.924 1.000 1.000 CB 1.539 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 8.377 1.873 0.709 0.472 0.857 0.714 CB 1.187 8 residues pruned to eliminate duplicates Z: 7 9.457 1.972 0.648 0.469 1.000 0.833 CB 1.226 8 residues pruned to eliminate duplicates Z: 6 3.583 1.349 0.932 0.353 0.800 0.800 CA 0.901 6 residues pruned to eliminate duplicates Z: 6 6.758 1.908 0.743 0.444 1.000 1.000 CB 0.962 6 residues pruned to eliminate duplicates Z: 8 15.574 1.957 1.092 0.565 1.000 0.714 CA 1.350 Z: 6 2.843 1.673 0.986 0.292 0.600 0.400 CA 0.806 6 residues pruned to eliminate duplicates Z: 8 10.803 2.011 1.138 0.451 0.857 0.857 CB 1.165 8 residues pruned to eliminate duplicates Z: 13 10.082 1.933 0.257 0.499 0.833 0.667 CB 1.439 13 residues pruned to eliminate duplicates Z: 6 5.136 1.702 0.415 0.368 1.000 0.800 CA 1.098 Z: 6 3.473 1.784 0.982 0.340 0.600 0.400 CA 0.872 11 residues pruned to eliminate duplicates Z: 6 4.378 1.412 0.657 0.521 0.800 0.000 N 1.024 6 residues pruned to eliminate duplicates Z: 52 29.615 1.964 0.617 0.536 0.980 0.608 CB 1.285 44 residues pruned to eliminate duplicates Z: 19 17.345 1.787 0.506 0.766 0.944 0.667 CA 1.270 19 residues pruned to eliminate duplicates Z: 16 19.258 1.877 0.509 0.863 1.000 0.733 CB 1.288 16 residues pruned to eliminate duplicates Z: 25 15.594 1.832 0.505 0.613 0.958 0.458 CB 1.083 22 residues pruned to eliminate duplicates Z: 15 18.862 1.935 0.590 0.929 0.929 0.571 CB 1.234 15 residues pruned to eliminate duplicates Z: 26 16.527 1.829 0.579 0.604 0.840 0.520 CB 1.234 26 residues pruned to eliminate duplicates Z: 27 17.727 1.834 0.605 0.615 0.885 0.500 CB 1.197 29 residues pruned to eliminate duplicates Z: 15 19.662 1.928 0.635 0.834 1.000 0.714 CB 1.250 15 residues pruned to eliminate duplicates Z: 25 18.505 1.819 0.683 0.613 0.917 0.417 CB 1.209 25 residues pruned to eliminate duplicates Z: 50 21.598 1.858 0.508 0.628 0.837 0.429 CB 1.168 52 residues pruned to eliminate duplicates Z: 17 18.285 1.811 0.713 0.821 0.938 0.562 CB 1.190 17 residues pruned to eliminate duplicates Z: 29 15.518 1.842 0.651 0.593 0.714 0.393 CB 1.235 29 residues pruned to eliminate duplicates Z: 25 16.086 1.813 0.614 0.627 0.917 0.500 CB 1.086 25 residues pruned to eliminate duplicates Z: 26 17.397 1.817 0.610 0.640 0.920 0.560 CB 1.133 26 residues pruned to eliminate duplicates Z: 24 18.607 1.884 0.636 0.661 0.957 0.565 CB 1.133 24 residues pruned to eliminate duplicates Z: 16 22.557 1.859 0.805 0.914 1.000 0.733 CB 1.227 19 residues pruned to eliminate duplicates Z: 17 17.525 1.894 0.781 0.820 0.875 0.500 CB 1.125 17 residues pruned to eliminate duplicates Z: 72 28.987 1.860 0.566 0.589 0.845 0.493 CB 1.283 83 residues pruned to eliminate duplicates Z: 21 19.237 1.879 0.675 0.673 0.900 0.550 CA 1.295 21 residues pruned to eliminate duplicates Z: 23 18.744 1.879 0.702 0.630 0.909 0.409 CB 1.217 23 residues pruned to eliminate duplicates Z: 24 20.517 1.863 0.634 0.662 0.957 0.522 CB 1.264 24 residues pruned to eliminate duplicates Z: 15 6.639 1.634 0.238 0.508 0.786 0.357 CB 1.109 15 residues pruned to eliminate duplicates Z: 41 28.375 1.950 0.539 0.700 0.925 0.550 CB 1.346 41 residues pruned to eliminate duplicates Z: 11 8.647 1.594 0.510 0.879 0.900 0.500 CB 0.916 11 residues pruned to eliminate duplicates Z: 70 30.634 1.858 0.555 0.641 0.913 0.507 CB 1.225 69 residues pruned to eliminate duplicates Z: 9 8.316 1.651 0.583 0.853 1.000 0.500 CB 0.831 9 residues pruned to eliminate duplicates Z: 9 6.503 1.589 0.459 0.646 0.875 0.500 CB 0.988 9 residues pruned to eliminate duplicates Z: 27 14.384 1.840 0.187 0.635 0.923 0.538 CB 1.233 27 residues pruned to eliminate duplicates Z: 46 29.035 1.931 0.550 0.646 0.933 0.667 CB 1.351 46 residues pruned to eliminate duplicates Z: 122 31.997 1.871 0.491 0.524 0.843 0.496 CB 1.208 125 residues pruned to eliminate duplicates Z: 16 14.362 1.852 0.344 0.715 0.933 0.533 CB 1.313 16 residues pruned to eliminate duplicates Z: 16 14.665 1.872 0.462 0.674 0.867 0.467 CB 1.360 16 residues pruned to eliminate duplicates Z: 70 29.897 1.889 0.606 0.594 0.855 0.594 CB 1.268 70 residues pruned to eliminate duplicates Z: 25 15.325 1.887 0.465 0.645 0.792 0.500 CB 1.249 25 residues pruned to eliminate duplicates Z: 39 13.198 1.730 0.421 0.525 0.789 0.316 CB 1.077 39 residues pruned to eliminate duplicates Z: 50 20.889 1.790 0.531 0.620 0.837 0.469 CB 1.161 50 residues pruned to eliminate duplicates Z: 51 27.581 1.902 0.444 0.688 0.920 0.600 CB 1.299 51 residues pruned to eliminate duplicates Z: 40 28.917 1.956 0.433 0.721 0.923 0.641 CB 1.466 40 residues pruned to eliminate duplicates Z: 68 34.934 1.920 0.548 0.691 0.925 0.537 CB 1.303 65 residues pruned to eliminate duplicates Z: 14 16.663 1.890 0.264 0.844 1.000 0.769 CB 1.439 14 residues pruned to eliminate duplicates Z: 39 37.325 1.979 0.695 0.707 1.000 0.737 CB 1.496 39 residues pruned to eliminate duplicates Z: 46 30.825 1.945 0.590 0.666 0.933 0.511 CB 1.366 46 residues pruned to eliminate duplicates Z: 39 33.440 1.999 0.569 0.705 0.974 0.711 CB 1.475 39 residues pruned to eliminate duplicates Z: 66 34.342 1.903 0.599 0.658 0.923 0.538 CB 1.310 66 residues pruned to eliminate duplicates Z: 69 31.301 1.884 0.559 0.700 0.882 0.500 CB 1.220 69 residues pruned to eliminate duplicates Z: 45 26.412 1.867 0.549 0.655 0.909 0.659 CB 1.311 45 residues pruned to eliminate duplicates Z: 52 24.851 1.841 0.553 0.593 0.882 0.471 CB 1.262 52 residues pruned to eliminate duplicates Z: 29 20.997 1.892 0.624 0.636 0.857 0.643 CA 1.327 29 residues pruned to eliminate duplicates Z: 47 30.241 1.931 0.563 0.676 0.957 0.652 CB 1.313 47 residues pruned to eliminate duplicates Z: 34 21.655 1.851 0.577 0.533 0.909 0.545 CB 1.376 34 residues pruned to eliminate duplicates Z: 56 24.551 1.862 0.575 0.562 0.873 0.491 CB 1.218 56 residues pruned to eliminate duplicates Z: 78 34.577 1.941 0.657 0.563 0.844 0.584 CB 1.365 78 residues pruned to eliminate duplicates Z: 27 22.446 1.887 0.565 0.660 0.962 0.731 CA 1.336 27 residues pruned to eliminate duplicates Z: 78 34.567 1.877 0.676 0.618 0.870 0.494 CB 1.286 74 residues pruned to eliminate duplicates Z: 20 25.668 1.938 0.845 0.833 0.895 0.579 CA 1.381 20 residues pruned to eliminate duplicates Z: 42 30.641 1.943 0.617 0.654 0.951 0.585 CB 1.388 42 residues pruned to eliminate duplicates Z: 76 29.594 1.821 0.556 0.582 0.920 0.427 CB 1.211 77 residues pruned to eliminate duplicates Z: 20 23.544 1.948 0.764 0.805 0.947 0.789 CA 1.271 20 residues pruned to eliminate duplicates Z: 32 22.144 1.863 0.567 0.569 0.935 0.516 CA 1.363 32 residues pruned to eliminate duplicates Z: 41 30.105 1.961 0.556 0.674 0.925 0.450 CB 1.436 41 residues pruned to eliminate duplicates Z: 87 37.451 1.909 0.563 0.611 0.965 0.570 CB 1.263 87 residues pruned to eliminate duplicates Z: 71 34.122 1.909 0.549 0.667 0.914 0.514 CB 1.293 71 residues pruned to eliminate duplicates Z: 28 24.231 1.904 0.788 0.618 0.926 0.481 CB 1.324 28 residues pruned to eliminate duplicates Z: 32 19.435 1.776 0.621 0.589 0.871 0.645 CB 1.279 32 residues pruned to eliminate duplicates Z: 27 23.005 1.916 0.616 0.684 0.923 0.538 CB 1.333 27 residues pruned to eliminate duplicates Z: 49 23.850 1.823 0.540 0.574 0.875 0.438 CB 1.304 49 residues pruned to eliminate duplicates Z: 40 32.633 1.975 0.622 0.671 0.949 0.513 CB 1.468 40 residues pruned to eliminate duplicates Z: 55 30.600 1.903 0.535 0.651 0.889 0.574 CB 1.393 55 residues pruned to eliminate duplicates Z: 61 31.150 1.913 0.537 0.658 0.900 0.550 CB 1.313 61 residues pruned to eliminate duplicates Z: 80 36.883 1.896 0.607 0.657 0.911 0.481 CB 1.292 80 residues pruned to eliminate duplicates Z: 20 13.274 1.889 0.435 0.484 0.842 0.421 CB 1.356 20 residues pruned to eliminate duplicates Z: 28 17.923 1.810 0.739 0.576 0.852 0.630 CB 1.195 28 residues pruned to eliminate duplicates Z: 10 13.268 1.900 0.716 0.864 0.889 0.778 CB 1.119 10 residues pruned to eliminate duplicates Z: 11 14.169 1.874 0.819 0.810 0.900 0.500 CB 1.116 11 residues pruned to eliminate duplicates Z: 35 14.948 1.827 0.479 0.554 0.824 0.471 CB 1.093 35 residues pruned to eliminate duplicates Z: 42 23.894 1.881 0.635 0.622 0.927 0.512 CB 1.166 42 residues pruned to eliminate duplicates Z: 36 20.764 1.923 0.480 0.620 0.886 0.657 CB 1.243 36 residues pruned to eliminate duplicates Z: 52 26.132 1.955 0.619 0.539 0.882 0.627 CB 1.260 52 residues pruned to eliminate duplicates Z: 12 15.167 1.890 0.771 0.859 0.909 0.818 CB 1.107 12 residues pruned to eliminate duplicates Z: 21 15.802 1.911 0.559 0.635 0.950 0.600 CB 1.101 21 residues pruned to eliminate duplicates Z: 54 26.465 1.939 0.599 0.566 0.906 0.623 CB 1.214 54 residues pruned to eliminate duplicates Z: 26 14.517 1.897 0.312 0.549 0.800 0.640 CB 1.391 26 residues pruned to eliminate duplicates Z: 12 8.945 1.855 0.308 0.488 0.909 0.636 CA 1.237 12 residues pruned to eliminate duplicates Z: 25 18.191 1.796 1.011 0.607 0.958 0.583 CB 0.969 25 residues pruned to eliminate duplicates Z: 54 25.061 1.959 0.563 0.551 0.868 0.547 CB 1.232 54 residues pruned to eliminate duplicates Z: 53 29.854 1.967 0.689 0.553 0.923 0.558 CB 1.282 53 residues pruned to eliminate duplicates Z: 54 23.756 1.906 0.653 0.500 0.887 0.491 CB 1.168 54 residues pruned to eliminate duplicates Z: 33 26.065 1.958 0.782 0.649 0.875 0.562 CB 1.314 33 residues pruned to eliminate duplicates Z: 37 19.798 1.958 0.654 0.443 0.833 0.556 CB 1.297 37 residues pruned to eliminate duplicates Z: 53 29.024 1.943 0.759 0.507 0.885 0.500 CB 1.321 53 residues pruned to eliminate duplicates Z: 40 26.391 1.965 0.623 0.605 0.923 0.590 CB 1.299 40 residues pruned to eliminate duplicates Z: 54 23.833 1.949 0.621 0.583 0.811 0.585 CB 1.180 54 residues pruned to eliminate duplicates Z: 37 20.250 2.000 0.457 0.508 0.861 0.528 CB 1.335 37 residues pruned to eliminate duplicates Z: 35 20.162 1.933 0.572 0.446 0.853 0.588 CB 1.410 35 residues pruned to eliminate duplicates Z: 31 23.107 2.003 0.635 0.541 0.900 0.633 CB 1.376 31 residues pruned to eliminate duplicates Z: 52 24.287 1.929 0.537 0.526 0.882 0.471 CB 1.267 52 residues pruned to eliminate duplicates Z: 70 42.092 2.096 0.691 0.574 0.884 0.449 CB 1.506 70 residues pruned to eliminate duplicates Z: 25 21.686 1.995 0.553 0.536 0.917 0.667 CB 1.505 25 residues pruned to eliminate duplicates Z: 12 15.399 1.959 0.247 0.730 0.909 0.636 N 1.698 12 residues pruned to eliminate duplicates Z: 27 15.399 1.879 0.572 0.528 0.769 0.500 CB 1.292 34 residues pruned to eliminate duplicates Z: 17 16.033 1.828 0.512 0.556 0.875 0.500 N 1.569 17 residues pruned to eliminate duplicates Z: 17 18.440 1.921 0.599 0.674 0.938 0.562 CB 1.364 17 residues pruned to eliminate duplicates Z: 40 21.572 1.900 0.679 0.616 0.897 0.641 CB 1.081 40 residues pruned to eliminate duplicates Z: 31 20.787 2.010 0.603 0.537 0.833 0.600 CB 1.363 31 residues pruned to eliminate duplicates Z: 52 30.617 2.009 0.760 0.585 0.882 0.510 CB 1.267 52 residues pruned to eliminate duplicates Z: 51 21.813 1.913 0.508 0.519 0.900 0.480 CB 1.167 51 residues pruned to eliminate duplicates Z: 29 23.767 1.957 0.690 0.519 0.857 0.464 CB 1.556 29 residues pruned to eliminate duplicates Z: 32 21.265 1.999 0.718 0.510 0.871 0.419 CB 1.264 32 residues pruned to eliminate duplicates Z: 31 19.003 1.944 0.590 0.558 0.833 0.500 CB 1.273 31 residues pruned to eliminate duplicates Z: 22 15.271 1.931 0.729 0.355 0.810 0.429 CB 1.441 22 residues pruned to eliminate duplicates Z: 36 21.278 1.993 0.562 0.516 0.886 0.600 CB 1.283 36 residues pruned to eliminate duplicates Z: 19 19.431 2.107 0.736 0.452 0.889 0.444 CB 1.480 19 residues pruned to eliminate duplicates Z: 31 27.041 2.002 0.792 0.571 0.900 0.567 CB 1.428 31 residues pruned to eliminate duplicates Z: 54 28.568 1.940 0.840 0.588 0.868 0.528 CB 1.164 54 residues pruned to eliminate duplicates Z: 78 39.290 2.048 0.707 0.443 0.909 0.481 CB 1.494 78 residues pruned to eliminate duplicates Z: 21 13.691 1.995 0.782 0.426 0.750 0.550 CB 1.241 21 residues pruned to eliminate duplicates Z: 31 21.995 1.987 0.837 0.600 0.800 0.500 CB 1.250 31 residues pruned to eliminate duplicates Z: 91 37.268 2.037 0.595 0.515 0.867 0.478 CB 1.374 91 residues pruned to eliminate duplicates Z: 80 31.605 2.014 0.532 0.414 0.899 0.468 CB 1.403 80 residues pruned to eliminate duplicates Z: 33 27.769 2.164 0.757 0.512 0.875 0.344 CB 1.458 33 residues pruned to eliminate duplicates Z: 65 36.932 2.107 0.572 0.572 0.844 0.406 CB 1.541 65 residues pruned to eliminate duplicates Z: 72 40.802 2.092 0.646 0.545 0.930 0.451 CB 1.448 72 residues pruned to eliminate duplicates Z: 56 31.184 2.087 0.546 0.510 0.909 0.491 CB 1.419 56 residues pruned to eliminate duplicates Z: 24 25.734 2.279 0.684 0.564 0.870 0.478 CB 1.511 24 residues pruned to eliminate duplicates Z: 51 32.019 2.104 0.641 0.497 0.920 0.600 CB 1.430 51 residues pruned to eliminate duplicates Z: 56 33.457 2.097 0.576 0.476 0.982 0.582 CB 1.425 56 residues pruned to eliminate duplicates Z: 32 27.872 2.200 0.793 0.501 0.806 0.452 CB 1.572 32 residues pruned to eliminate duplicates Z: 58 28.444 2.095 0.574 0.448 0.877 0.474 CB 1.375 58 residues pruned to eliminate duplicates Z: 22 31.257 2.279 0.766 0.582 0.952 0.381 CB 1.646 22 residues pruned to eliminate duplicates Z: 51 32.919 2.129 0.649 0.489 0.900 0.580 CB 1.491 51 residues pruned to eliminate duplicates Z: 56 28.842 2.087 0.501 0.469 0.891 0.455 CB 1.438 56 residues pruned to eliminate duplicates Z: 54 32.779 2.088 0.544 0.506 0.943 0.509 CB 1.472 54 residues pruned to eliminate duplicates Z: 60 27.586 2.035 0.439 0.478 0.932 0.492 CB 1.345 60 residues pruned to eliminate duplicates Z: 54 34.032 2.123 0.626 0.485 0.943 0.623 CB 1.457 54 residues pruned to eliminate duplicates Z: 64 34.899 2.074 0.596 0.485 0.968 0.460 CB 1.393 64 residues pruned to eliminate duplicates Z: 57 33.002 2.107 0.624 0.478 0.893 0.571 CB 1.477 57 residues pruned to eliminate duplicates Z: 67 32.772 2.064 0.572 0.465 0.924 0.591 CB 1.393 67 residues pruned to eliminate duplicates Z: 52 34.647 2.140 0.673 0.508 0.902 0.549 CB 1.491 52 residues pruned to eliminate duplicates Z: 63 30.964 2.021 0.643 0.481 0.887 0.484 CB 1.361 63 residues pruned to eliminate duplicates Z: 49 20.733 1.945 0.519 0.390 0.896 0.562 CB 1.269 49 residues pruned to eliminate duplicates Z: 43 32.759 2.157 0.815 0.465 0.857 0.667 CA 1.561 43 residues pruned to eliminate duplicates Z: 92 38.449 2.058 0.653 0.513 0.879 0.659 CB 1.331 92 residues pruned to eliminate duplicates Z: 57 33.791 2.092 0.664 0.477 0.946 0.696 CB 1.403 57 residues pruned to eliminate duplicates Z: 43 25.956 2.037 0.627 0.401 0.976 0.524 CB 1.373 43 residues pruned to eliminate duplicates Z: 58 33.572 2.079 0.673 0.474 0.912 0.702 CB 1.438 58 residues pruned to eliminate duplicates Z: 61 31.791 2.092 0.477 0.498 0.933 0.683 CB 1.425 61 residues pruned to eliminate duplicates Z: 27 17.286 1.995 0.443 0.463 0.923 0.577 CB 1.325 27 residues pruned to eliminate duplicates Z: 62 29.349 2.062 0.525 0.480 0.902 0.574 CB 1.352 62 residues pruned to eliminate duplicates Z: 56 31.656 2.104 0.604 0.480 0.909 0.618 CB 1.419 56 residues pruned to eliminate duplicates Z: 53 34.990 2.109 0.688 0.502 0.923 0.692 CB 1.474 53 residues pruned to eliminate duplicates Z: 23 18.718 1.970 0.585 0.508 0.909 0.636 CB 1.395 23 residues pruned to eliminate duplicates Z: 49 39.188 2.111 0.710 0.549 0.979 0.708 CA 1.525 49 residues pruned to eliminate duplicates Z: 60 36.626 2.085 0.751 0.503 0.898 0.644 CB 1.449 60 residues pruned to eliminate duplicates Z: 52 37.604 2.126 0.710 0.487 0.980 0.667 CB 1.496 52 residues pruned to eliminate duplicates Z: 50 39.243 2.152 0.733 0.525 0.939 0.714 CB 1.562 50 residues pruned to eliminate duplicates Z: 68 30.656 2.068 0.556 0.469 0.881 0.507 CB 1.364 68 residues pruned to eliminate duplicates Z: 57 36.324 2.140 0.643 0.466 0.964 0.571 CB 1.482 57 residues pruned to eliminate duplicates Z: 39 26.454 2.069 0.576 0.460 0.974 0.632 CB 1.408 39 residues pruned to eliminate duplicates Z: 65 35.332 2.078 0.605 0.481 0.953 0.656 CB 1.417 65 residues pruned to eliminate duplicates Z: 64 37.827 2.092 0.773 0.460 0.937 0.556 CB 1.429 64 residues pruned to eliminate duplicates Z: 6 5.663 1.556 0.471 0.445 1.000 0.600 O 1.170 6 residues pruned to eliminate duplicates Z: 48 34.271 2.145 0.640 0.540 0.936 0.511 CB 1.461 48 residues pruned to eliminate duplicates Z: 11 7.182 1.934 0.383 0.343 1.000 0.800 CB 1.007 11 residues pruned to eliminate duplicates Z: 13 5.570 1.856 0.275 0.337 0.917 0.667 CB 0.885 13 residues pruned to eliminate duplicates Z: 17 5.528 1.860 0.250 0.220 0.875 0.562 CB 0.942 17 residues pruned to eliminate duplicates Z: 15 6.583 1.883 0.314 0.237 1.000 0.571 CB 0.965 15 residues pruned to eliminate duplicates Z: 11 5.106 1.909 0.372 0.257 0.900 0.700 CB 0.905 11 residues pruned to eliminate duplicates Z: 71 39.577 2.117 0.750 0.470 0.914 0.557 CB 1.440 71 residues pruned to eliminate duplicates Z: 20 6.365 1.770 0.504 0.162 0.895 0.368 CB 0.926 20 residues pruned to eliminate duplicates Z: 56 30.589 2.099 0.729 0.473 0.891 0.600 CB 1.311 56 residues pruned to eliminate duplicates Z: 22 8.648 1.888 0.282 0.291 0.952 0.524 CB 1.036 22 residues pruned to eliminate duplicates Z: 9 12.140 1.759 0.462 0.727 1.000 0.375 CB 1.360 8 residues pruned to eliminate duplicates Z: 9 11.220 1.796 0.257 0.738 1.000 0.625 CB 1.419 9 residues pruned to eliminate duplicates Z: 23 10.324 1.840 0.394 0.311 1.000 0.591 CB 1.059 23 residues pruned to eliminate duplicates Z: 35 18.598 1.925 0.599 0.426 0.941 0.676 CB 1.189 35 residues pruned to eliminate duplicates Z: 23 10.208 1.865 0.399 0.355 0.909 0.727 CB 1.073 23 residues pruned to eliminate duplicates Z: 27 10.122 1.804 0.287 0.329 0.885 0.615 CB 1.166 27 residues pruned to eliminate duplicates Z: 27 10.215 1.888 0.196 0.353 0.885 0.462 CB 1.176 27 residues pruned to eliminate duplicates Z: 13 9.340 1.783 0.355 0.487 0.917 0.500 CB 1.234 13 residues pruned to eliminate duplicates Z: 29 12.263 1.789 0.637 0.377 0.857 0.643 CB 1.053 29 residues pruned to eliminate duplicates Z: 24 32.698 2.214 0.603 0.697 1.000 0.696 CB 1.605 24 residues pruned to eliminate duplicates Z: 31 31.306 2.114 0.530 0.716 0.933 0.667 CB 1.558 31 residues pruned to eliminate duplicates Z: 32 29.363 2.090 0.587 0.672 0.903 0.645 CB 1.502 32 residues pruned to eliminate duplicates Z: 33 20.879 1.993 0.407 0.620 0.844 0.500 CA 1.393 33 residues pruned to eliminate duplicates Z: 30 30.682 2.101 0.623 0.696 0.966 0.552 CB 1.447 30 residues pruned to eliminate duplicates Z: 111 70.734 2.248 0.691 0.690 0.918 0.727 CA 1.624 111 residues pruned to eliminate duplicates Z: 38 28.414 2.024 0.667 0.658 0.892 0.622 CB 1.340 38 residues pruned to eliminate duplicates Z: 130 75.905 2.247 0.766 0.629 0.915 0.628 CB 1.631 130 residues pruned to eliminate duplicates Z: 24 32.398 2.204 0.629 0.704 1.000 0.696 CB 1.563 24 residues pruned to eliminate duplicates Z: 25 27.088 2.106 0.606 0.644 0.958 0.583 CB 1.491 25 residues pruned to eliminate duplicates Z: 30 33.335 2.154 0.606 0.665 0.966 0.655 CA 1.591 30 residues pruned to eliminate duplicates Z: 95 71.075 2.228 0.756 0.722 0.947 0.681 CA 1.620 95 residues pruned to eliminate duplicates Z: 32 35.750 2.114 0.849 0.690 0.935 0.581 CB 1.475 32 residues pruned to eliminate duplicates Z: 36 30.189 2.042 0.728 0.629 0.857 0.714 CB 1.494 36 residues pruned to eliminate duplicates Z: 46 42.428 2.152 0.608 0.743 0.933 0.733 CA 1.576 46 residues pruned to eliminate duplicates Z: 131 80.471 2.273 0.838 0.644 0.900 0.677 CB 1.641 131 residues pruned to eliminate duplicates Z: 37 32.065 2.047 0.790 0.619 0.944 0.444 CB 1.380 37 residues pruned to eliminate duplicates Z: 26 33.311 2.166 0.730 0.643 0.960 0.680 CB 1.620 36 residues pruned to eliminate duplicates Z: 22 29.464 2.042 0.847 0.713 0.952 0.619 CA 1.476 22 residues pruned to eliminate duplicates Z: 111 60.858 2.215 0.635 0.604 0.891 0.618 CA 1.629 111 residues pruned to eliminate duplicates Z: 40 30.891 2.078 0.890 0.555 0.872 0.487 CB 1.369 40 residues pruned to eliminate duplicates Z: 130 77.963 2.247 0.839 0.649 0.899 0.597 CB 1.609 130 residues pruned to eliminate duplicates Z: 178 87.424 2.250 0.770 0.598 0.944 0.621 CA 1.592 178 residues pruned to eliminate duplicates Z: 31 35.120 2.131 0.821 0.686 0.967 0.533 CB 1.441 31 residues pruned to eliminate duplicates Z: 40 29.297 2.005 0.797 0.611 0.872 0.590 CB 1.345 40 residues pruned to eliminate duplicates Z: 132 80.633 2.266 0.827 0.643 0.908 0.634 CB 1.639 132 residues pruned to eliminate duplicates Z: 127 82.207 2.273 0.861 0.658 0.913 0.667 CB 1.638 127 residues pruned to eliminate duplicates Z: 131 78.669 2.252 0.859 0.630 0.908 0.646 CB 1.607 131 residues pruned to eliminate duplicates Z: 131 83.577 2.264 0.914 0.646 0.908 0.662 CB 1.626 131 residues pruned to eliminate duplicates Z: 128 83.725 2.280 0.825 0.658 0.937 0.646 CB 1.646 128 residues pruned to eliminate duplicates Z: 72 63.110 2.233 0.825 0.708 0.958 0.662 CA 1.588 72 residues pruned to eliminate duplicates Z: 180 87.871 2.270 0.743 0.601 0.922 0.670 CA 1.636 180 residues pruned to eliminate duplicates Z: 130 78.075 2.246 0.812 0.637 0.907 0.620 CA 1.638 130 residues pruned to eliminate duplicates Z: 128 81.751 2.264 0.839 0.658 0.921 0.677 CB 1.634 128 residues pruned to eliminate duplicates Z: 122 80.022 2.264 0.841 0.663 0.934 0.661 CA 1.607 122 residues pruned to eliminate duplicates Z: 164 74.593 2.233 0.694 0.605 0.871 0.564 CB 1.604 164 residues pruned to eliminate duplicates Z: 101 65.653 2.210 0.775 0.661 0.910 0.610 CB 1.583 101 residues pruned to eliminate duplicates Z: 128 79.200 2.270 0.900 0.654 0.882 0.677 CB 1.601 128 residues pruned to eliminate duplicates Z: 186 85.587 2.240 0.795 0.581 0.908 0.578 CB 1.593 186 residues pruned to eliminate duplicates Z: 132 74.963 2.207 0.854 0.613 0.901 0.580 CB 1.596 132 residues pruned to eliminate duplicates Z: 178 89.680 2.271 0.815 0.597 0.915 0.571 CA 1.630 178 residues pruned to eliminate duplicates Z: 127 82.297 2.276 0.902 0.652 0.905 0.611 CB 1.625 127 residues pruned to eliminate duplicates Z: 14 32.808 2.249 0.822 0.907 1.000 0.846 CA 1.579 14 residues pruned to eliminate duplicates Z: 110 71.230 2.247 0.822 0.633 0.899 0.633 CB 1.636 110 residues pruned to eliminate duplicates Z: 178 94.679 2.284 0.820 0.616 0.927 0.661 CA 1.656 178 residues pruned to eliminate duplicates Z: 131 79.979 2.273 0.899 0.627 0.885 0.646 CB 1.631 131 residues pruned to eliminate duplicates Z: 122 76.363 2.231 0.831 0.648 0.934 0.694 CB 1.585 141 residues pruned to eliminate duplicates Z: 17 27.029 2.251 0.794 0.743 0.938 0.688 CA 1.436 17 residues pruned to eliminate duplicates Z: 110 75.957 2.283 0.899 0.646 0.890 0.596 CA 1.646 110 residues pruned to eliminate duplicates Z: 113 76.010 2.229 0.896 0.676 0.920 0.589 CB 1.572 113 residues pruned to eliminate duplicates Z: 74 67.045 2.252 0.850 0.719 0.986 0.753 CA 1.566 74 residues pruned to eliminate duplicates Z: 118 79.606 2.242 0.863 0.667 0.940 0.607 CB 1.605 118 residues pruned to eliminate duplicates Z: 137 78.697 2.233 0.910 0.619 0.890 0.684 CB 1.590 137 residues pruned to eliminate duplicates Z: 112 70.951 2.247 0.855 0.624 0.883 0.658 CA 1.629 112 residues pruned to eliminate duplicates Z: 140 80.218 2.238 0.930 0.616 0.885 0.604 CB 1.595 140 residues pruned to eliminate duplicates Z: 127 84.285 2.283 0.860 0.669 0.913 0.651 CB 1.658 127 residues pruned to eliminate duplicates Z: 122 80.768 2.272 0.833 0.659 0.917 0.661 CB 1.658 122 residues pruned to eliminate duplicates Z: 108 75.591 2.191 0.948 0.669 0.944 0.514 CB 1.551 108 residues pruned to eliminate duplicates Z: 154 85.950 2.258 0.890 0.607 0.882 0.542 CB 1.667 154 residues pruned to eliminate duplicates Z: 79 61.106 2.311 0.823 0.601 0.885 0.603 CB 1.686 79 residues pruned to eliminate duplicates Z: 80 60.083 2.308 0.821 0.609 0.861 0.570 CB 1.684 80 residues pruned to eliminate duplicates Z: 53 56.543 2.219 1.031 0.696 0.904 0.442 CB 1.609 53 residues pruned to eliminate duplicates Z: 154 79.425 2.271 0.871 0.546 0.895 0.536 CA 1.613 154 residues pruned to eliminate duplicates Z: 175 99.374 2.292 0.937 0.615 0.908 0.586 CA 1.677 175 residues pruned to eliminate duplicates Z: 127 84.532 2.278 0.896 0.665 0.905 0.603 CB 1.654 127 residues pruned to eliminate duplicates Z: 77 67.665 2.239 0.889 0.707 0.921 0.645 CA 1.651 77 residues pruned to eliminate duplicates Z: 82 58.057 2.190 0.842 0.652 0.901 0.630 CA 1.540 82 residues pruned to eliminate duplicates Z: 111 70.517 2.237 0.824 0.631 0.900 0.618 CB 1.618 111 residues pruned to eliminate duplicates Z: 137 78.788 2.238 0.802 0.633 0.912 0.618 CA 1.622 137 residues pruned to eliminate duplicates Z: 128 82.758 2.276 0.918 0.652 0.882 0.575 CB 1.655 128 residues pruned to eliminate duplicates Z: 112 77.597 2.254 0.834 0.687 0.937 0.631 CB 1.602 112 residues pruned to eliminate duplicates Z: 168 79.126 2.204 0.767 0.595 0.910 0.623 CA 1.577 168 residues pruned to eliminate duplicates Z: 198 89.116 2.255 0.743 0.591 0.914 0.619 CB 1.621 198 residues pruned to eliminate duplicates Z: 60 57.274 2.282 0.879 0.701 0.932 0.576 CA 1.553 60 residues pruned to eliminate duplicates Z: 126 59.275 2.219 0.681 0.517 0.864 0.648 CA 1.617 126 residues pruned to eliminate duplicates Z: 126 85.537 2.273 0.937 0.666 0.928 0.600 CB 1.606 126 residues pruned to eliminate duplicates Z: 94 70.849 2.225 0.917 0.706 0.925 0.656 CA 1.544 94 residues pruned to eliminate duplicates Z: 107 69.047 2.187 0.820 0.648 0.934 0.604 CB 1.572 107 residues pruned to eliminate duplicates Z: 93 62.808 2.216 0.945 0.607 0.848 0.489 CB 1.618 93 residues pruned to eliminate duplicates Z: 189 94.557 2.255 0.897 0.593 0.920 0.628 CB 1.604 189 residues pruned to eliminate duplicates Z: 129 79.601 2.258 0.815 0.649 0.906 0.617 CB 1.649 129 residues pruned to eliminate duplicates Z: 127 82.013 2.276 0.808 0.650 0.937 0.627 CA 1.647 127 residues pruned to eliminate duplicates Z: 83 59.654 2.258 0.804 0.608 0.890 0.451 CB 1.640 83 residues pruned to eliminate duplicates Z: 53 50.295 2.317 0.990 0.592 0.865 0.538 CB 1.601 53 residues pruned to eliminate duplicates Z: 190 97.995 2.277 0.862 0.608 0.921 0.598 CB 1.648 197 residues pruned to eliminate duplicates Z: 18 22.016 1.938 1.081 0.668 0.824 0.412 CA 1.376 18 residues pruned to eliminate duplicates Z: 116 59.373 2.248 0.743 0.516 0.887 0.487 CB 1.569 116 residues pruned to eliminate duplicates Z: 55 47.262 2.296 0.948 0.542 0.852 0.519 CB 1.620 55 residues pruned to eliminate duplicates Z: 30 30.672 2.220 0.947 0.579 0.862 0.517 CB 1.417 30 residues pruned to eliminate duplicates Z: 127 86.844 2.281 0.923 0.654 0.921 0.595 CB 1.660 127 residues pruned to eliminate duplicates Z: 127 79.628 2.264 0.915 0.646 0.873 0.595 CB 1.635 127 residues pruned to eliminate duplicates Z: 120 73.556 2.215 0.917 0.635 0.908 0.563 CB 1.542 120 residues pruned to eliminate duplicates Z: 128 82.555 2.264 0.879 0.651 0.921 0.606 CB 1.624 128 residues pruned to eliminate duplicates Z: 43 39.708 2.267 0.898 0.570 0.881 0.548 CB 1.511 43 residues pruned to eliminate duplicates Z: 110 64.478 2.297 0.781 0.516 0.917 0.615 CA 1.619 110 residues pruned to eliminate duplicates Z: 201 83.192 2.231 0.731 0.572 0.900 0.630 CB 1.580 201 residues pruned to eliminate duplicates Z: 42 34.116 2.231 1.006 0.478 0.780 0.439 CB 1.559 42 residues pruned to eliminate duplicates Z: 80 62.604 2.304 0.907 0.596 0.886 0.494 CB 1.650 80 residues pruned to eliminate duplicates Z: 136 72.929 2.212 0.929 0.617 0.852 0.526 CB 1.546 136 residues pruned to eliminate duplicates Z: 38 38.715 2.344 0.837 0.504 0.865 0.595 CB 1.702 38 residues pruned to eliminate duplicates Z: 131 82.379 2.260 0.857 0.645 0.923 0.638 CB 1.630 131 residues pruned to eliminate duplicates Z: 99 69.058 2.277 0.897 0.650 0.857 0.622 CB 1.639 99 residues pruned to eliminate duplicates Z: 200 85.968 2.228 0.797 0.561 0.905 0.568 CB 1.586 200 residues pruned to eliminate duplicates Z: 55 51.206 2.283 1.018 0.577 0.889 0.444 CB 1.580 55 residues pruned to eliminate duplicates Z: 139 80.510 2.294 0.867 0.586 0.891 0.558 CA 1.654 139 residues pruned to eliminate duplicates Z: 90 59.293 2.241 0.949 0.585 0.854 0.517 CB 1.554 90 residues pruned to eliminate duplicates Z: 197 92.108 2.244 0.853 0.584 0.908 0.597 CB 1.607 189 residues pruned to eliminate duplicates Z: 7 9.259 1.785 0.588 0.578 1.000 0.333 CB 1.237 7 residues pruned to eliminate duplicates Z: 85 65.567 2.270 1.006 0.565 0.905 0.560 CB 1.631 85 residues pruned to eliminate duplicates Z: 79 59.567 2.311 0.854 0.539 0.910 0.590 CB 1.664 79 residues pruned to eliminate duplicates Z: 127 77.017 2.243 0.940 0.635 0.881 0.500 CB 1.576 127 residues pruned to eliminate duplicates Z: 183 86.713 2.234 0.847 0.580 0.907 0.588 CB 1.590 183 residues pruned to eliminate duplicates Z: 163 80.663 2.211 0.907 0.596 0.883 0.531 CB 1.554 163 residues pruned to eliminate duplicates Z: 55 45.602 2.294 0.959 0.547 0.870 0.444 CB 1.516 55 residues pruned to eliminate duplicates Z: 131 79.007 2.284 0.848 0.567 0.938 0.538 CA 1.639 131 residues pruned to eliminate duplicates Z: 133 80.584 2.258 0.900 0.632 0.894 0.561 CA 1.615 133 residues pruned to eliminate duplicates Z: 161 75.112 2.190 0.891 0.555 0.881 0.606 CB 1.542 161 residues pruned to eliminate duplicates Z: 131 80.595 2.230 0.913 0.645 0.923 0.592 CB 1.567 131 residues pruned to eliminate duplicates Z: 129 86.266 2.279 0.959 0.655 0.906 0.602 CB 1.632 129 residues pruned to eliminate duplicates Z: 54 41.711 2.288 1.003 0.539 0.811 0.396 CB 1.484 54 residues pruned to eliminate duplicates Z: 133 82.366 2.263 0.933 0.626 0.902 0.652 CB 1.615 133 residues pruned to eliminate duplicates Z: 44 33.095 2.165 1.011 0.489 0.791 0.372 CB 1.482 44 residues pruned to eliminate duplicates Z: 53 52.193 2.303 1.026 0.586 0.885 0.500 CB 1.615 53 residues pruned to eliminate duplicates Z: 130 81.071 2.271 0.902 0.646 0.907 0.519 CB 1.590 130 residues pruned to eliminate duplicates Z: 193 93.077 2.236 0.833 0.596 0.927 0.589 CB 1.613 193 residues pruned to eliminate duplicates Z: 140 86.186 2.321 0.885 0.595 0.921 0.612 CA 1.658 140 residues pruned to eliminate duplicates Z: 102 61.763 2.286 0.763 0.523 0.901 0.505 CB 1.654 102 residues pruned to eliminate duplicates Z: 171 79.399 2.243 0.755 0.559 0.900 0.518 CB 1.624 171 residues pruned to eliminate duplicates Z: 188 100.908 2.290 0.905 0.607 0.930 0.631 CB 1.641 188 residues pruned to eliminate duplicates Z: 152 73.782 2.284 0.719 0.575 0.881 0.576 CA 1.615 183 residues pruned to eliminate duplicates Z: 11 28.754 2.457 0.709 0.877 0.900 0.300 CB 1.747 11 residues pruned to eliminate duplicates Z: 19 29.755 2.409 0.541 0.639 0.944 0.389 CA 1.756 19 residues pruned to eliminate duplicates Z: 195 91.855 2.233 0.793 0.599 0.943 0.598 CB 1.590 195 residues pruned to eliminate duplicates Z: 51 39.899 2.292 0.726 0.512 0.900 0.500 CA 1.565 61 residues pruned to eliminate duplicates Z: 33 36.172 2.355 0.861 0.553 0.844 0.500 CB 1.641 33 residues pruned to eliminate duplicates Z: 130 81.844 2.311 0.876 0.568 0.938 0.620 CB 1.660 130 residues pruned to eliminate duplicates Z: 47 42.183 2.322 0.693 0.534 0.935 0.500 CA 1.636 47 residues pruned to eliminate duplicates Z: 158 87.114 2.257 0.845 0.602 0.930 0.637 CB 1.628 158 residues pruned to eliminate duplicates Z: 173 77.537 2.236 0.746 0.550 0.913 0.552 CB 1.580 173 residues pruned to eliminate duplicates Z: 40 33.238 2.308 0.603 0.514 0.897 0.615 CA 1.581 40 residues pruned to eliminate duplicates Z: 50 30.780 2.166 0.532 0.447 0.898 0.633 CA 1.558 50 residues pruned to eliminate duplicates Z: 47 40.320 2.352 0.655 0.551 0.935 0.696 CA 1.554 47 residues pruned to eliminate duplicates Z: 12 22.721 2.326 0.839 0.446 1.000 0.818 CB 1.693 12 residues pruned to eliminate duplicates Z: 65 43.424 2.270 0.666 0.493 0.938 0.641 CA 1.541 65 residues pruned to eliminate duplicates Z: 61 33.464 2.109 0.630 0.426 0.900 0.667 CA 1.508 61 residues pruned to eliminate duplicates Z: 63 46.786 2.264 0.777 0.500 0.952 0.597 CA 1.552 63 residues pruned to eliminate duplicates Z: 62 40.966 2.232 0.700 0.498 0.918 0.623 CA 1.509 62 residues pruned to eliminate duplicates Z: 173 74.161 2.285 0.696 0.555 0.878 0.599 CA 1.576 173 residues pruned to eliminate duplicates Z: 67 42.870 2.237 0.708 0.507 0.924 0.636 CA 1.484 67 residues pruned to eliminate duplicates Z: 120 61.735 2.267 0.751 0.505 0.899 0.605 CB 1.577 120 residues pruned to eliminate duplicates Z: 50 37.446 2.327 0.657 0.522 0.898 0.612 CA 1.512 50 residues pruned to eliminate duplicates Z: 36 37.769 2.303 0.893 0.475 0.943 0.686 CA 1.593 36 residues pruned to eliminate duplicates Z: 69 40.984 2.236 0.633 0.487 0.926 0.559 CA 1.488 69 residues pruned to eliminate duplicates Z: 90 51.448 2.235 0.669 0.473 0.955 0.629 CB 1.574 90 residues pruned to eliminate duplicates Z: 35 39.195 2.387 0.785 0.611 0.912 0.735 CA 1.558 35 residues pruned to eliminate duplicates Z: 68 47.880 2.277 0.753 0.513 0.881 0.612 CA 1.643 68 residues pruned to eliminate duplicates Z: 80 52.017 2.247 0.748 0.484 0.924 0.532 CA 1.639 80 residues pruned to eliminate duplicates Z: 61 45.961 2.241 0.870 0.511 0.883 0.500 CA 1.586 61 residues pruned to eliminate duplicates Z: 303 119.582 2.263 0.829 0.607 0.927 0.639 CA 1.620 309 residues pruned to eliminate duplicates Z: 26 30.994 2.264 0.860 0.510 1.000 0.640 CA 1.457 26 residues pruned to eliminate duplicates Z: 53 41.133 2.292 0.832 0.511 0.885 0.615 CA 1.519 53 residues pruned to eliminate duplicates Z: 78 60.517 2.338 0.917 0.542 0.922 0.610 CA 1.602 78 residues pruned to eliminate duplicates Z: 45 36.505 2.246 0.903 0.440 0.886 0.523 CA 1.545 45 residues pruned to eliminate duplicates Z: 159 78.822 2.287 0.863 0.554 0.899 0.582 CA 1.554 159 residues pruned to eliminate duplicates Z: 108 59.869 2.264 0.809 0.474 0.925 0.486 CB 1.568 108 residues pruned to eliminate duplicates Z: 67 45.743 2.247 0.775 0.486 0.939 0.606 CA 1.525 67 residues pruned to eliminate duplicates Z: 38 37.933 2.255 1.182 0.437 0.838 0.514 CA 1.615 38 residues pruned to eliminate duplicates Z: 71 38.207 2.167 0.635 0.461 0.886 0.486 CB 1.515 71 residues pruned to eliminate duplicates Z: 63 47.247 2.279 0.873 0.498 0.919 0.581 CA 1.531 63 residues pruned to eliminate duplicates Z: 32 17.614 1.910 0.600 0.330 0.903 0.581 CA 1.380 32 residues pruned to eliminate duplicates Z: 41 25.211 2.149 0.586 0.410 0.900 0.500 CB 1.428 41 residues pruned to eliminate duplicates Z: 44 35.125 2.147 0.775 0.478 0.953 0.535 CB 1.507 44 residues pruned to eliminate duplicates Z: 89 50.556 2.259 0.742 0.456 0.886 0.602 CA 1.616 89 residues pruned to eliminate duplicates Z: 34 19.219 1.988 0.573 0.331 0.939 0.576 CA 1.370 34 residues pruned to eliminate duplicates Z: 33 19.027 2.000 0.598 0.346 0.906 0.719 CA 1.372 33 residues pruned to eliminate duplicates Z: 105 53.472 2.236 0.845 0.449 0.865 0.519 CB 1.547 105 residues pruned to eliminate duplicates Z: 68 39.849 2.208 0.666 0.462 0.910 0.597 CA 1.511 68 residues pruned to eliminate duplicates Z: 62 45.657 2.295 0.847 0.491 0.918 0.672 CA 1.515 62 residues pruned to eliminate duplicates Z: 190 89.391 2.245 0.844 0.593 0.899 0.624 CB 1.597 190 residues pruned to eliminate duplicates Z: 57 30.282 2.131 0.697 0.415 0.821 0.500 CB 1.490 57 residues pruned to eliminate duplicates Z: 87 57.719 2.265 0.886 0.468 0.930 0.558 CA 1.618 87 residues pruned to eliminate duplicates Z: 63 47.412 2.255 0.875 0.506 0.952 0.661 CA 1.488 63 residues pruned to eliminate duplicates Z: 69 45.768 2.227 0.774 0.476 0.912 0.603 CA 1.579 69 residues pruned to eliminate duplicates Z: 48 34.327 2.065 0.896 0.469 0.915 0.511 CB 1.442 48 residues pruned to eliminate duplicates Z: 67 42.740 2.184 0.817 0.477 0.879 0.530 CB 1.544 67 residues pruned to eliminate duplicates Z: 44 35.848 2.152 0.836 0.458 0.977 0.581 CA 1.479 44 residues pruned to eliminate duplicates Z: 151 83.371 2.290 0.805 0.595 0.927 0.640 CA 1.623 151 residues pruned to eliminate duplicates Z: 49 27.454 2.076 0.696 0.403 0.833 0.562 CA 1.495 49 residues pruned to eliminate duplicates Z: 174 89.348 2.297 0.826 0.588 0.925 0.659 CA 1.609 174 residues pruned to eliminate duplicates Z: 156 88.978 2.302 0.890 0.573 0.929 0.587 CA 1.648 156 residues pruned to eliminate duplicates Z: 110 79.732 2.343 0.891 0.630 0.917 0.633 CA 1.664 110 residues pruned to eliminate duplicates Z: 136 76.428 2.275 0.845 0.580 0.896 0.615 CA 1.619 136 residues pruned to eliminate duplicates Z: 115 74.767 2.320 0.766 0.640 0.912 0.614 CA 1.643 115 residues pruned to eliminate duplicates Z: 70 67.836 2.364 0.881 0.710 0.928 0.696 CA 1.636 70 residues pruned to eliminate duplicates Z: 108 83.445 2.367 0.890 0.660 0.944 0.673 CA 1.647 108 residues pruned to eliminate duplicates Z: 113 68.408 2.249 0.748 0.624 0.920 0.607 CA 1.590 113 residues pruned to eliminate duplicates Z: 136 75.926 2.272 0.814 0.630 0.889 0.607 CA 1.579 136 residues pruned to eliminate duplicates Z: 103 69.143 2.263 0.806 0.688 0.902 0.637 CA 1.563 103 residues pruned to eliminate duplicates Z: 113 68.965 2.285 0.698 0.675 0.920 0.670 CA 1.554 113 residues pruned to eliminate duplicates Z: 133 78.069 2.276 0.842 0.638 0.902 0.576 CA 1.579 133 residues pruned to eliminate duplicates Z: 60 48.941 2.246 0.864 0.656 0.881 0.644 CA 1.494 60 residues pruned to eliminate duplicates Z: 53 47.934 2.215 0.855 0.657 0.865 0.673 CA 1.615 53 residues pruned to eliminate duplicates Z: 102 71.438 2.277 0.867 0.645 0.881 0.604 CA 1.658 102 residues pruned to eliminate duplicates Z: 139 75.980 2.239 0.780 0.645 0.913 0.630 CA 1.553 139 residues pruned to eliminate duplicates Z: 115 78.439 2.290 0.817 0.695 0.930 0.658 CA 1.589 115 residues pruned to eliminate duplicates Z: 132 84.138 2.311 0.863 0.645 0.908 0.603 CA 1.642 132 residues pruned to eliminate duplicates Z: 130 82.684 2.298 0.881 0.624 0.915 0.581 CA 1.638 130 residues pruned to eliminate duplicates Z: 134 80.988 2.280 0.866 0.651 0.895 0.632 CA 1.604 134 residues pruned to eliminate duplicates Z: 135 82.995 2.283 0.877 0.642 0.925 0.649 CA 1.584 135 residues pruned to eliminate duplicates Z: 109 76.317 2.333 0.850 0.634 0.926 0.630 CA 1.621 109 residues pruned to eliminate duplicates Z: 56 56.972 2.277 1.045 0.652 0.891 0.600 CA 1.608 56 residues pruned to eliminate duplicates Z: 111 75.446 2.312 0.814 0.643 0.936 0.591 CA 1.603 111 residues pruned to eliminate duplicates Z: 129 84.700 2.325 0.910 0.658 0.898 0.617 CA 1.620 129 residues pruned to eliminate duplicates Z: 182 85.525 2.168 0.824 0.599 0.895 0.536 CA 1.636 374 residues pruned to eliminate duplicates Z: 124 82.396 2.297 0.888 0.654 0.911 0.602 CA 1.630 124 residues pruned to eliminate duplicates Z: 277 114.850 2.288 0.806 0.602 0.931 0.616 CA 1.631 202 residues pruned to eliminate duplicates Z: 12 48.630 2.515 1.478 0.933 1.000 1.000 CB 1.642 12 residues pruned to eliminate duplicates Z: 134 85.094 2.304 0.929 0.645 0.902 0.639 CA 1.608 134 residues pruned to eliminate duplicates Z: 116 78.876 2.281 0.899 0.679 0.896 0.661 CA 1.608 116 residues pruned to eliminate duplicates Z: 91 72.610 2.332 0.911 0.679 0.911 0.600 CA 1.598 91 residues pruned to eliminate duplicates Z: 136 85.988 2.277 0.917 0.637 0.904 0.637 CA 1.651 136 residues pruned to eliminate duplicates Z: 109 79.739 2.358 0.880 0.629 0.917 0.583 CA 1.673 109 residues pruned to eliminate duplicates Z: 101 78.603 2.295 0.976 0.680 0.940 0.630 CA 1.562 101 residues pruned to eliminate duplicates Z: 114 80.394 2.310 0.921 0.633 0.912 0.655 CA 1.651 114 residues pruned to eliminate duplicates Z: 132 78.943 2.276 0.957 0.623 0.870 0.565 CA 1.585 132 residues pruned to eliminate duplicates Z: 133 84.674 2.305 0.947 0.637 0.909 0.667 CA 1.588 133 residues pruned to eliminate duplicates Z: 130 88.580 2.311 0.955 0.661 0.915 0.643 CA 1.625 129 residues pruned to eliminate duplicates Z: 23 31.077 2.156 0.727 0.820 0.909 0.773 CA 1.482 23 residues pruned to eliminate duplicates Z: 135 87.343 2.286 0.897 0.638 0.933 0.537 CA 1.640 135 residues pruned to eliminate duplicates Z: 97 83.040 2.346 0.940 0.702 0.948 0.688 CA 1.634 97 residues pruned to eliminate duplicates Z: 134 82.164 2.307 0.834 0.634 0.917 0.617 CA 1.619 134 residues pruned to eliminate duplicates Z: 168 83.043 2.210 0.836 0.592 0.910 0.611 CB 1.594 168 residues pruned to eliminate duplicates Z: 132 84.865 2.301 0.852 0.644 0.947 0.588 CA 1.606 132 residues pruned to eliminate duplicates Z: 96 75.215 2.328 0.936 0.632 0.926 0.632 CA 1.633 96 residues pruned to eliminate duplicates Z: 119 82.133 2.318 0.877 0.656 0.924 0.636 CA 1.627 119 residues pruned to eliminate duplicates Z: 123 91.671 2.316 0.982 0.661 0.934 0.615 CA 1.666 123 residues pruned to eliminate duplicates Z: 110 82.368 2.332 0.899 0.693 0.936 0.651 CA 1.596 110 residues pruned to eliminate duplicates Z: 153 84.296 2.282 0.868 0.635 0.908 0.671 CA 1.556 129 residues pruned to eliminate duplicates Z: 8 8.962 1.702 0.594 0.747 1.000 0.857 CA 1.001 8 residues pruned to eliminate duplicates Z: 109 75.618 2.343 0.910 0.646 0.861 0.593 CA 1.648 109 residues pruned to eliminate duplicates Z: 107 81.459 2.286 1.012 0.669 0.925 0.613 CA 1.593 107 residues pruned to eliminate duplicates Z: 138 89.476 2.277 0.990 0.630 0.920 0.606 CA 1.623 138 residues pruned to eliminate duplicates Z: 132 76.374 2.261 0.905 0.619 0.878 0.557 CA 1.577 132 residues pruned to eliminate duplicates Z: 132 85.911 2.296 0.992 0.639 0.901 0.565 CA 1.601 132 residues pruned to eliminate duplicates Z: 127 82.040 2.325 0.839 0.662 0.913 0.603 CA 1.611 127 residues pruned to eliminate duplicates Z: 111 77.055 2.340 0.876 0.653 0.891 0.600 CA 1.629 111 residues pruned to eliminate duplicates Z: 78 80.407 2.397 1.049 0.696 0.922 0.597 CA 1.692 78 residues pruned to eliminate duplicates Z: 65 65.079 2.315 0.921 0.663 0.938 0.656 CA 1.677 65 residues pruned to eliminate duplicates Z: 130 82.768 2.296 0.931 0.657 0.891 0.581 CA 1.593 130 residues pruned to eliminate duplicates Z: 57 50.368 2.290 0.861 0.568 0.911 0.571 CB 1.623 57 residues pruned to eliminate duplicates Z: 168 85.775 2.202 0.822 0.621 0.922 0.641 CA 1.600 168 residues pruned to eliminate duplicates Z: 125 85.360 2.317 0.980 0.641 0.911 0.629 CA 1.607 125 residues pruned to eliminate duplicates Z: 115 76.756 2.304 0.886 0.629 0.904 0.605 CA 1.621 115 residues pruned to eliminate duplicates Z: 137 84.545 2.272 0.891 0.645 0.912 0.574 CA 1.616 137 residues pruned to eliminate duplicates Z: 111 75.408 2.324 0.849 0.643 0.873 0.600 CA 1.677 111 residues pruned to eliminate duplicates Z: 100 71.980 2.311 0.886 0.690 0.879 0.586 CA 1.587 100 residues pruned to eliminate duplicates Z: 109 78.988 2.279 0.978 0.670 0.935 0.574 CA 1.541 109 residues pruned to eliminate duplicates Z: 110 78.554 2.342 0.888 0.652 0.899 0.615 CA 1.643 110 residues pruned to eliminate duplicates Z: 98 72.540 2.316 0.991 0.621 0.907 0.649 CA 1.571 98 residues pruned to eliminate duplicates Z: 129 90.647 2.302 1.012 0.653 0.922 0.547 CA 1.628 129 residues pruned to eliminate duplicates Z: 130 87.668 2.303 0.968 0.662 0.907 0.581 CA 1.616 130 residues pruned to eliminate duplicates Z: 129 87.079 2.298 0.957 0.657 0.898 0.570 CA 1.647 129 residues pruned to eliminate duplicates Z: 131 86.505 2.278 0.996 0.635 0.915 0.523 CA 1.606 131 residues pruned to eliminate duplicates Z: 162 89.688 2.217 0.938 0.624 0.913 0.627 CB 1.603 162 residues pruned to eliminate duplicates Z: 78 72.279 2.358 0.899 0.685 0.922 0.571 CA 1.682 78 residues pruned to eliminate duplicates Z: 55 37.732 2.235 0.730 0.548 0.833 0.463 CB 1.520 55 residues pruned to eliminate duplicates Z: 124 86.883 2.309 1.014 0.634 0.911 0.553 CA 1.631 124 residues pruned to eliminate duplicates Z: 122 83.166 2.283 0.908 0.656 0.926 0.587 CA 1.623 122 residues pruned to eliminate duplicates Z: 132 89.349 2.283 1.019 0.654 0.924 0.557 CA 1.588 132 residues pruned to eliminate duplicates Z: 111 84.700 2.284 0.986 0.685 0.927 0.545 CA 1.620 111 residues pruned to eliminate duplicates Z: 154 85.108 2.226 0.931 0.602 0.902 0.621 CA 1.611 154 residues pruned to eliminate duplicates Z: 35 28.575 2.182 0.863 0.479 0.794 0.471 CA 1.551 35 residues pruned to eliminate duplicates Z: 134 86.358 2.278 0.961 0.633 0.902 0.549 CA 1.640 134 residues pruned to eliminate duplicates Z: 103 82.482 2.353 0.981 0.653 0.902 0.598 CA 1.685 103 residues pruned to eliminate duplicates Z: 54 49.546 2.286 0.897 0.587 0.925 0.585 CB 1.561 54 residues pruned to eliminate duplicates Z: 132 87.412 2.291 0.965 0.641 0.916 0.580 CA 1.623 132 residues pruned to eliminate duplicates Z: 128 88.729 2.296 0.966 0.655 0.913 0.622 CA 1.653 128 residues pruned to eliminate duplicates Z: 130 79.820 2.293 0.840 0.651 0.876 0.574 CA 1.652 130 residues pruned to eliminate duplicates Z: 129 91.978 2.306 1.007 0.653 0.930 0.547 CA 1.639 129 residues pruned to eliminate duplicates Z: 118 87.549 2.286 0.966 0.682 0.949 0.650 CA 1.605 118 residues pruned to eliminate duplicates Z: 134 84.839 2.276 1.026 0.630 0.887 0.579 CA 1.591 134 residues pruned to eliminate duplicates Z: 31 34.861 2.301 0.937 0.554 0.833 0.533 CB 1.627 31 residues pruned to eliminate duplicates Z: 132 85.208 2.285 0.941 0.629 0.916 0.527 CA 1.623 132 residues pruned to eliminate duplicates Z: 130 88.750 2.300 0.986 0.658 0.915 0.597 CA 1.615 130 residues pruned to eliminate duplicates Z: 30 35.330 2.294 0.887 0.565 0.862 0.414 CA 1.650 30 residues pruned to eliminate duplicates Z: 135 87.281 2.273 0.963 0.642 0.918 0.575 CA 1.613 135 residues pruned to eliminate duplicates Z: 82 69.188 2.297 1.002 0.622 0.926 0.531 CA 1.609 82 residues pruned to eliminate duplicates Z: 129 91.654 2.306 1.017 0.645 0.922 0.500 CB 1.650 129 residues pruned to eliminate duplicates Z: 96 80.090 2.339 1.034 0.635 0.916 0.579 CB 1.661 96 residues pruned to eliminate duplicates Z: 128 93.099 2.331 1.063 0.668 0.906 0.583 CA 1.624 128 residues pruned to eliminate duplicates Z: 21 24.114 2.277 1.137 0.451 0.850 0.550 CA 1.372 21 residues pruned to eliminate duplicates Z: 21 21.974 2.266 0.931 0.445 0.800 0.550 CA 1.485 21 residues pruned to eliminate duplicates Z: 31 35.749 2.284 0.983 0.590 0.833 0.533 CB 1.586 31 residues pruned to eliminate duplicates Z: 129 91.160 2.315 1.039 0.676 0.906 0.617 CA 1.601 129 residues pruned to eliminate duplicates Z: 135 87.271 2.286 1.006 0.626 0.903 0.582 CA 1.617 135 residues pruned to eliminate duplicates Z: 134 83.397 2.280 0.976 0.615 0.887 0.541 CA 1.623 134 residues pruned to eliminate duplicates Z: 8 8.095 1.839 0.622 0.474 0.857 0.286 CA 1.229 Z: 11 10.869 1.918 0.211 0.849 0.900 0.700 CB 1.219 11 residues pruned to eliminate duplicates Z: 63 25.572 1.935 0.399 0.528 0.887 0.597 CB 1.316 63 residues pruned to eliminate duplicates Z: 14 9.675 1.809 0.182 0.649 0.846 0.692 CA 1.291 13 residues pruned to eliminate duplicates Z: 12 12.313 1.893 0.277 0.822 0.909 0.818 CB 1.278 12 residues pruned to eliminate duplicates Z: 14 8.232 1.843 0.073 0.684 0.846 0.538 CB 1.152 14 residues pruned to eliminate duplicates Z: 14 7.530 1.799 0.014 0.709 0.846 0.462 CB 1.120 14 residues pruned to eliminate duplicates Z: 10 7.872 1.816 0.070 0.759 0.889 0.667 CA 1.207 10 residues pruned to eliminate duplicates Z: 19 7.899 1.847 0.290 0.514 0.778 0.389 CB 0.991 33 residues pruned to eliminate duplicates Z: 13 11.717 1.784 0.302 0.781 0.917 0.917 CB 1.241 Z: 11 12.328 1.822 0.344 0.871 0.900 0.900 CA 1.291 12 residues pruned to eliminate duplicates Z: 6 6.601 1.621 1.437 0.314 1.000 0.400 CA 0.918 Z: 6 6.836 1.901 0.804 0.399 0.800 0.200 CA 1.239 6 residues pruned to eliminate duplicates Z: 133 74.326 2.219 0.862 0.641 0.894 0.583 CB 1.536 146 residues pruned to eliminate duplicates Z: 131 83.114 2.270 0.883 0.652 0.931 0.608 CB 1.590 131 residues pruned to eliminate duplicates Z: 91 60.139 2.245 0.749 0.662 0.878 0.622 CA 1.584 91 residues pruned to eliminate duplicates Z: 109 74.044 2.250 0.856 0.675 0.935 0.667 CB 1.553 109 residues pruned to eliminate duplicates Z: 37 36.459 2.180 0.920 0.622 0.861 0.583 CB 1.503 37 residues pruned to eliminate duplicates Z: 47 42.582 2.289 0.826 0.646 0.891 0.565 CB 1.470 47 residues pruned to eliminate duplicates Z: 36 42.465 2.300 0.971 0.612 0.971 0.486 CB 1.466 36 residues pruned to eliminate duplicates Z: 102 72.985 2.291 0.854 0.687 0.921 0.683 CB 1.565 102 residues pruned to eliminate duplicates Z: 91 78.289 2.309 0.953 0.705 0.944 0.667 CA 1.607 91 residues pruned to eliminate duplicates Z: 85 78.999 2.317 0.981 0.757 0.929 0.738 CB 1.609 85 residues pruned to eliminate duplicates Z: 89 82.873 2.327 0.947 0.734 0.955 0.614 CB 1.655 89 residues pruned to eliminate duplicates Z: 90 75.152 2.272 0.952 0.705 0.921 0.652 CB 1.619 90 residues pruned to eliminate duplicates Z: 91 76.201 2.320 0.865 0.708 0.933 0.622 CB 1.647 91 residues pruned to eliminate duplicates Z: 103 72.887 2.279 0.912 0.672 0.892 0.598 CB 1.585 103 residues pruned to eliminate duplicates Z: 94 70.390 2.314 0.734 0.714 0.946 0.645 CB 1.583 94 residues pruned to eliminate duplicates Z: 90 80.645 2.334 0.989 0.715 0.933 0.640 CB 1.624 90 residues pruned to eliminate duplicates Z: 115 76.087 2.284 0.790 0.686 0.930 0.640 CB 1.580 115 residues pruned to eliminate duplicates Z: 127 73.945 2.251 0.821 0.649 0.913 0.587 CB 1.534 127 residues pruned to eliminate duplicates Z: 37 40.795 2.259 1.261 0.595 0.833 0.389 CB 1.459 37 residues pruned to eliminate duplicates Z: 89 75.616 2.312 0.833 0.724 0.966 0.625 CB 1.609 89 residues pruned to eliminate duplicates Z: 105 72.845 2.258 0.916 0.680 0.913 0.587 CB 1.531 105 residues pruned to eliminate duplicates Z: 129 82.663 2.271 0.916 0.664 0.930 0.531 CB 1.552 129 residues pruned to eliminate duplicates Z: 108 73.058 2.246 0.922 0.687 0.907 0.626 CB 1.521 108 residues pruned to eliminate duplicates Z: 132 79.715 2.263 0.867 0.653 0.924 0.588 CB 1.547 132 residues pruned to eliminate duplicates Z: 52 37.788 2.161 0.976 0.553 0.882 0.333 CB 1.333 52 residues pruned to eliminate duplicates Z: 92 78.458 2.307 1.013 0.699 0.901 0.582 CB 1.638 92 residues pruned to eliminate duplicates Z: 107 77.989 2.304 0.882 0.709 0.925 0.660 CB 1.563 107 residues pruned to eliminate duplicates Z: 113 79.511 2.317 0.882 0.697 0.920 0.643 CB 1.566 113 residues pruned to eliminate duplicates Z: 130 84.828 2.282 0.987 0.653 0.891 0.550 CB 1.601 130 residues pruned to eliminate duplicates Z: 114 82.717 2.305 0.946 0.681 0.938 0.664 CB 1.566 114 residues pruned to eliminate duplicates Z: 13 24.519 2.009 0.943 0.826 1.000 0.500 CB 1.368 13 residues pruned to eliminate duplicates Z: 62 47.276 2.204 0.855 0.591 0.902 0.459 CB 1.505 62 residues pruned to eliminate duplicates Z: 111 74.695 2.272 0.888 0.662 0.927 0.645 CB 1.541 111 residues pruned to eliminate duplicates Z: 59 52.612 2.272 0.656 0.703 0.948 0.707 CA 1.610 59 residues pruned to eliminate duplicates Z: 129 74.247 2.239 0.849 0.641 0.922 0.602 CB 1.507 129 residues pruned to eliminate duplicates Z: 78 78.018 2.331 1.079 0.685 0.935 0.558 CB 1.656 78 residues pruned to eliminate duplicates Z: 13 28.024 2.352 0.484 0.911 1.000 0.917 CA 1.643 13 residues pruned to eliminate duplicates Z: 113 79.069 2.270 0.964 0.662 0.938 0.562 CB 1.538 113 residues pruned to eliminate duplicates Z: 62 60.079 2.262 0.913 0.695 0.918 0.623 CA 1.621 62 residues pruned to eliminate duplicates Z: 75 71.296 2.335 1.043 0.646 0.919 0.608 CA 1.649 75 residues pruned to eliminate duplicates Z: 80 66.404 2.287 0.918 0.665 0.911 0.633 CB 1.604 80 residues pruned to eliminate duplicates Z: 31 25.805 2.087 0.940 0.574 0.800 0.567 CB 1.354 31 residues pruned to eliminate duplicates Z: 110 85.906 2.321 1.003 0.712 0.917 0.587 CB 1.592 110 residues pruned to eliminate duplicates Z: 129 83.606 2.274 0.969 0.666 0.922 0.570 CB 1.535 129 residues pruned to eliminate duplicates Z: 61 56.738 2.285 0.755 0.730 0.950 0.750 CA 1.564 61 residues pruned to eliminate duplicates Z: 89 65.009 2.273 0.925 0.667 0.886 0.466 CB 1.531 89 residues pruned to eliminate duplicates Z: 79 68.209 2.289 0.939 0.675 0.923 0.628 CB 1.605 79 residues pruned to eliminate duplicates Z: 76 68.276 2.329 0.903 0.717 0.920 0.587 CB 1.588 76 residues pruned to eliminate duplicates Z: 85 71.441 2.312 0.877 0.687 0.917 0.595 CB 1.652 85 residues pruned to eliminate duplicates Z: 128 78.083 2.261 0.884 0.637 0.929 0.638 CB 1.540 128 residues pruned to eliminate duplicates Z: 116 78.927 2.276 0.896 0.672 0.930 0.557 CB 1.564 116 residues pruned to eliminate duplicates Z: 102 74.659 2.291 0.892 0.690 0.911 0.663 CB 1.581 102 residues pruned to eliminate duplicates Z: 113 84.029 2.322 0.912 0.690 0.938 0.607 CB 1.604 113 residues pruned to eliminate duplicates Z: 66 55.590 2.248 0.819 0.661 0.908 0.646 CB 1.601 66 residues pruned to eliminate duplicates Z: 132 84.692 2.270 0.924 0.660 0.931 0.550 CB 1.567 132 residues pruned to eliminate duplicates Z: 54 63.937 2.337 0.949 0.729 0.962 0.679 CA 1.631 54 residues pruned to eliminate duplicates Z: 130 86.052 2.279 0.976 0.651 0.938 0.535 CB 1.559 130 residues pruned to eliminate duplicates Z: 63 54.722 2.297 0.813 0.672 0.935 0.613 CB 1.522 63 residues pruned to eliminate duplicates Z: 94 64.608 2.251 0.861 0.642 0.903 0.516 CB 1.550 94 residues pruned to eliminate duplicates Z: 93 67.315 2.278 0.840 0.638 0.924 0.641 CB 1.592 93 residues pruned to eliminate duplicates Z: 94 76.079 2.298 0.970 0.667 0.946 0.516 CB 1.577 94 residues pruned to eliminate duplicates Z: 76 69.161 2.305 0.903 0.708 0.933 0.693 CB 1.615 76 residues pruned to eliminate duplicates Z: 102 79.550 2.280 1.010 0.680 0.931 0.564 CB 1.573 102 residues pruned to eliminate duplicates Z: 77 64.416 2.287 0.829 0.695 0.934 0.592 CB 1.582 77 residues pruned to eliminate duplicates Z: 99 73.202 2.275 1.045 0.659 0.888 0.571 CB 1.544 99 residues pruned to eliminate duplicates Z: 128 81.369 2.282 0.918 0.668 0.921 0.567 CB 1.533 128 residues pruned to eliminate duplicates Z: 82 50.231 2.192 0.794 0.597 0.889 0.457 CB 1.456 82 residues pruned to eliminate duplicates Z: 101 79.472 2.303 1.073 0.677 0.900 0.530 CB 1.572 101 residues pruned to eliminate duplicates Z: 57 66.738 2.301 1.105 0.706 0.929 0.643 CB 1.644 57 residues pruned to eliminate duplicates Z: 114 85.881 2.310 1.012 0.679 0.947 0.558 CB 1.557 114 residues pruned to eliminate duplicates Z: 83 78.203 2.324 1.055 0.684 0.951 0.524 CB 1.606 83 residues pruned to eliminate duplicates Z: 90 79.031 2.310 1.056 0.705 0.910 0.539 CB 1.609 90 residues pruned to eliminate duplicates Z: 92 85.936 2.330 1.040 0.720 0.967 0.615 CB 1.606 92 residues pruned to eliminate duplicates Z: 92 78.748 2.330 0.974 0.713 0.934 0.571 CB 1.584 92 residues pruned to eliminate duplicates Z: 31 23.242 1.939 0.693 0.633 0.833 0.533 CB 1.368 31 residues pruned to eliminate duplicates Z: 16 19.509 2.144 0.752 0.633 0.867 0.733 CB 1.366 16 residues pruned to eliminate duplicates Z: 35 37.798 2.264 0.750 0.690 0.941 0.706 CB 1.461 35 residues pruned to eliminate duplicates Z: 53 39.472 2.154 0.905 0.596 0.865 0.519 CB 1.406 53 residues pruned to eliminate duplicates Z: 66 69.004 2.255 0.987 0.730 0.954 0.600 CA 1.628 66 residues pruned to eliminate duplicates Z: 117 79.804 2.273 0.973 0.668 0.922 0.621 CB 1.532 117 residues pruned to eliminate duplicates Z: 28 30.124 2.159 0.867 0.578 0.926 0.556 CB 1.441 28 residues pruned to eliminate duplicates Z: 79 63.772 2.261 0.966 0.661 0.910 0.538 CB 1.538 79 residues pruned to eliminate duplicates Z: 113 86.348 2.315 1.018 0.684 0.938 0.527 CB 1.574 113 residues pruned to eliminate duplicates Z: 79 61.878 2.273 0.880 0.669 0.885 0.538 CA 1.586 79 residues pruned to eliminate duplicates Z: 38 35.049 2.157 0.803 0.633 0.919 0.622 CB 1.423 38 residues pruned to eliminate duplicates Z: 113 82.644 2.313 1.005 0.680 0.902 0.491 CB 1.582 113 residues pruned to eliminate duplicates Z: 110 81.434 2.305 0.964 0.675 0.927 0.550 CB 1.582 110 residues pruned to eliminate duplicates Z: 42 25.684 2.119 0.855 0.586 0.756 0.341 CB 1.242 42 residues pruned to eliminate duplicates Z: 24 25.360 2.078 0.894 0.632 0.913 0.304 CB 1.300 24 residues pruned to eliminate duplicates Z: 126 75.127 2.236 0.968 0.618 0.896 0.544 CB 1.525 126 residues pruned to eliminate duplicates Z: 103 80.219 2.268 1.011 0.691 0.931 0.559 CB 1.570 103 residues pruned to eliminate duplicates Z: 31 18.702 1.936 0.810 0.476 0.867 0.600 CB 1.152 31 residues pruned to eliminate duplicates Z: 100 77.300 2.301 0.984 0.676 0.919 0.475 CB 1.574 100 residues pruned to eliminate duplicates Z: 80 65.558 2.289 0.956 0.674 0.899 0.646 CB 1.561 80 residues pruned to eliminate duplicates Z: 41 30.396 2.118 0.744 0.521 0.850 0.550 CB 1.499 41 residues pruned to eliminate duplicates Z: 53 37.235 2.165 0.907 0.548 0.865 0.538 CB 1.379 53 residues pruned to eliminate duplicates Z: 31 26.263 2.166 0.830 0.519 0.867 0.500 CB 1.370 31 residues pruned to eliminate duplicates Z: 39 32.490 2.203 0.844 0.548 0.868 0.526 CB 1.426 39 residues pruned to eliminate duplicates Z: 25 27.231 2.173 0.949 0.579 0.875 0.542 CB 1.390 25 residues pruned to eliminate duplicates Z: 38 36.004 2.221 0.837 0.662 0.865 0.568 CB 1.443 38 residues pruned to eliminate duplicates Z: 38 29.938 2.144 0.804 0.574 0.865 0.541 CB 1.370 38 residues pruned to eliminate duplicates Z: 31 24.467 2.132 0.906 0.518 0.833 0.433 CB 1.296 31 residues pruned to eliminate duplicates Z: 20 19.104 2.192 1.083 0.528 0.737 0.421 CB 1.267 20 residues pruned to eliminate duplicates Z: 36 27.722 2.137 0.898 0.505 0.857 0.400 CB 1.341 36 residues pruned to eliminate duplicates Z: 130 77.595 2.242 1.012 0.624 0.899 0.504 CB 1.498 130 residues pruned to eliminate duplicates Z: 79 66.690 2.282 0.897 0.680 0.936 0.551 CB 1.580 79 residues pruned to eliminate duplicates Z: 24 17.604 2.060 0.962 0.498 0.783 0.261 CB 1.163 24 residues pruned to eliminate duplicates Z: 94 57.582 2.223 1.004 0.631 0.839 0.484 CB 1.413 94 residues pruned to eliminate duplicates Z: 39 24.649 2.076 0.829 0.476 0.868 0.395 CB 1.243 39 residues pruned to eliminate duplicates Z: 51 36.157 2.174 0.803 0.579 0.860 0.500 CB 1.406 51 residues pruned to eliminate duplicates Z: 21 16.359 1.952 0.646 0.434 0.850 0.400 CB 1.434 21 residues pruned to eliminate duplicates Z: 43 27.740 2.103 0.787 0.467 0.833 0.476 CB 1.413 43 residues pruned to eliminate duplicates Z: 17 10.647 2.104 0.488 0.408 0.688 0.438 CB 1.362 17 residues pruned to eliminate duplicates Z: 41 30.640 2.157 0.896 0.544 0.800 0.625 CB 1.418 41 residues pruned to eliminate duplicates Z: 64 37.543 2.111 0.777 0.575 0.857 0.381 CB 1.368 64 residues pruned to eliminate duplicates Z: 53 37.253 2.178 0.798 0.578 0.865 0.577 CB 1.413 53 residues pruned to eliminate duplicates Z: 17 15.177 1.958 0.582 0.457 0.875 0.500 CB 1.462 17 residues pruned to eliminate duplicates Z: 35 25.372 2.120 0.974 0.424 0.824 0.471 CB 1.366 35 residues pruned to eliminate duplicates Z: 40 27.914 2.163 0.855 0.501 0.821 0.590 CB 1.357 40 residues pruned to eliminate duplicates Z: 17 15.696 2.120 0.730 0.438 0.750 0.500 CB 1.520 17 residues pruned to eliminate duplicates Z: 53 37.745 2.162 0.825 0.559 0.865 0.538 CB 1.447 53 residues pruned to eliminate duplicates Z: 133 61.173 2.174 0.718 0.581 0.902 0.538 CB 1.463 133 residues pruned to eliminate duplicates Z: 16 19.162 1.927 0.936 0.613 0.800 0.667 CB 1.489 16 residues pruned to eliminate duplicates Z: 64 39.138 2.118 0.798 0.591 0.825 0.603 CB 1.438 64 residues pruned to eliminate duplicates Z: 47 23.874 1.922 0.521 0.499 0.935 0.565 CB 1.289 47 residues pruned to eliminate duplicates Z: 43 27.591 2.066 0.800 0.514 0.833 0.381 CB 1.354 43 residues pruned to eliminate duplicates Z: 55 26.952 1.986 0.579 0.466 0.889 0.611 CB 1.363 56 residues pruned to eliminate duplicates Z: 11 21.825 1.992 0.861 0.911 1.000 0.900 CA 1.319 11 residues pruned to eliminate duplicates Z: 20 13.605 1.905 0.418 0.559 0.947 0.737 CB 1.151 20 residues pruned to eliminate duplicates Z: 48 22.610 1.911 0.583 0.451 0.915 0.553 CB 1.253 48 residues pruned to eliminate duplicates Z: 48 24.742 1.972 0.418 0.527 0.957 0.511 CB 1.313 48 residues pruned to eliminate duplicates Z: 48 22.564 1.971 0.327 0.485 0.936 0.596 CB 1.365 48 residues pruned to eliminate duplicates Z: 15 12.469 1.873 0.486 0.625 0.929 0.571 CB 1.147 15 residues pruned to eliminate duplicates Z: 50 26.420 1.972 0.517 0.510 0.959 0.531 CB 1.302 50 residues pruned to eliminate duplicates Z: 48 21.512 1.980 0.426 0.474 0.851 0.489 CB 1.340 48 residues pruned to eliminate duplicates Z: 51 23.516 1.946 0.437 0.489 0.940 0.580 CB 1.279 51 residues pruned to eliminate duplicates Z: 48 22.350 1.935 0.519 0.474 0.915 0.596 CB 1.244 48 residues pruned to eliminate duplicates Z: 43 20.156 1.913 0.668 0.457 0.929 0.548 CB 1.096 43 residues pruned to eliminate duplicates Z: 39 15.370 1.813 0.422 0.350 0.947 0.553 CB 1.202 39 residues pruned to eliminate duplicates Z: 30 18.066 1.982 0.424 0.419 0.897 0.690 CB 1.444 30 residues pruned to eliminate duplicates Z: 20 7.479 1.853 0.348 0.310 0.842 0.368 CB 1.006 20 residues pruned to eliminate duplicates Z: 31 15.891 1.933 0.484 0.472 0.867 0.400 CB 1.201 31 residues pruned to eliminate duplicates Z: 29 13.813 1.892 0.381 0.414 0.893 0.536 CB 1.225 26 residues pruned to eliminate duplicates Z: 6 6.438 1.692 0.340 0.435 1.000 0.800 CB 1.358 6 residues pruned to eliminate duplicates Z: 50 22.705 1.910 0.597 0.489 0.898 0.531 CB 1.197 50 residues pruned to eliminate duplicates Z: 33 18.954 1.892 0.673 0.469 0.906 0.594 CB 1.205 33 residues pruned to eliminate duplicates Z: 39 22.535 1.917 0.668 0.466 0.947 0.684 CB 1.248 39 residues pruned to eliminate duplicates Z: 28 16.519 1.941 0.357 0.434 0.926 0.667 CB 1.396 28 residues pruned to eliminate duplicates Z: 27 17.650 2.015 0.390 0.442 0.923 0.769 CB 1.420 31 residues pruned to eliminate duplicates Z: 10 16.768 2.160 0.431 0.782 0.889 0.889 CB 1.587 9 residues pruned to eliminate duplicates Z: 11 17.726 2.071 0.561 0.693 0.900 0.700 CB 1.615 11 residues pruned to eliminate duplicates Z: 25 17.777 2.018 0.430 0.424 0.917 0.750 CB 1.484 25 residues pruned to eliminate duplicates Z: 16 18.892 2.052 0.501 0.613 0.933 0.800 CB 1.524 15 residues pruned to eliminate duplicates Z: 9 24.149 2.151 0.734 0.872 1.000 0.750 CB 1.669 10 residues pruned to eliminate duplicates Z: 11 15.813 1.978 0.588 0.767 0.900 0.600 CA 1.396 11 residues pruned to eliminate duplicates Z: 31 19.742 1.886 0.514 0.443 0.933 0.633 CB 1.434 31 residues pruned to eliminate duplicates Z: 26 17.486 1.987 0.467 0.416 0.920 0.720 CB 1.423 26 residues pruned to eliminate duplicates Z: 43 21.325 1.956 0.488 0.479 0.881 0.643 CB 1.312 43 residues pruned to eliminate duplicates Z: 27 15.893 1.885 0.380 0.401 0.885 0.615 CB 1.504 27 residues pruned to eliminate duplicates 578 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 9 D: 9 E: 6 F: 6 G: 7 H: 25 I: 258 J: 66 K: 12 L: 167 CC for partial structure against native data = 33.05 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.613, Connect. = 0.714 for dens.mod. cycle 1 = 0.300, Contrast = 0.703, Connect. = 0.747 for dens.mod. cycle 2 = 0.300, Contrast = 0.824, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.838, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.850, Connect. = 0.782 for dens.mod. cycle 5 = 0.300, Contrast = 0.852, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.855, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.854, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.854, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.852, Connect. = 0.788 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.56 - 3.61 - 3.15 - 2.86 - 2.66 - 2.50 - 2.37 - 2.27 - 2.18 - 2.11 0.730 0.779 0.752 0.729 0.698 0.682 0.663 0.638 0.623 0.597 0.840 0.903 0.887 0.874 0.837 0.810 0.783 0.751 0.725 0.695 N 7055 7114 7100 7114 6893 7201 7352 6823 7313 6553 Estimated mean FOM = 0.690 Pseudo-free CC = 71.29 % Best trace (cycle 1 with CC 39.07%) was saved as ./2go7-2.1-parrot-hancs/2go7-2.1-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.8 - Setup, data input and phasing 10.0 - FFTs and peak-searches 23.2 - Sphere of influence 0.8 - Rest of density modification 0.0 - Alpha-helix search 1403.9 - Tripeptide search 30105.3 - Chain tracing 0.0 - NCS analysis 106.4 - B-value refinement for trace 0.4 - Rest of tracing TimeTaking 530.5