++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:27:25 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-mrncs/2go7-2.1-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2go7-2.1-parrot-mrncs/2go7-2.1-parrot-mrncs.ins Phases from ./2go7-2.1-parrot-mrncs/2go7-2.1-parrot-mrncs.phi Native data from ./2go7-2.1-parrot-mrncs/2go7-2.1-parrot-mrncs.hkl Listing output to ./2go7-2.1-parrot-mrncs/2go7-2.1-parrot-mrncs.lst Phases output to ./2go7-2.1-parrot-mrncs/2go7-2.1-parrot-mrncs.phs Poly-Ala trace output to ./2go7-2.1-parrot-mrncs/2go7-2.1-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 61 Allowed origin shift code: 8 70518 Reflections read from file ./2go7-2.1-parrot-mrncs/2go7-2.1-parrot-mrncs.phi 70518 Reflections read from file ./2go7-2.1-parrot-mrncs/2go7-2.1-parrot-mrncs.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 = 0.300, Contrast = 0.363, Connect. = 0.686 for dens.mod. cycle 1 = 0.300, Contrast = 0.404, Connect. = 0.664 for dens.mod. cycle 2 = 0.300, Contrast = 0.578, Connect. = 0.722 for dens.mod. cycle 3 = 0.300, Contrast = 0.677, Connect. = 0.747 for dens.mod. cycle 4 = 0.300, Contrast = 0.739, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.776, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.800, Connect. = 0.778 for dens.mod. cycle 7 = 0.300, Contrast = 0.814, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.822, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.827, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3842 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 25.483 2.116 0.795 0.833 0.938 0.750 CB 1.342 B: 13 22.391 1.953 0.865 0.896 0.833 0.750 CA 1.526 C: 20 38.633 2.167 1.140 0.867 1.000 0.526 CA 1.398 D: 13 38.102 2.261 1.169 0.886 1.000 0.833 CB 1.618 E: 14 32.870 2.130 1.254 0.891 0.923 0.769 CB 1.478 F: 21 27.704 2.182 1.199 0.449 0.900 0.450 CA 1.511 G: 11 34.818 2.379 1.076 0.885 1.000 0.700 CA 1.610 H: 13 29.148 2.080 1.026 0.906 0.917 0.750 CA 1.549 I: 14 22.638 1.871 0.842 0.893 1.000 0.846 CA 1.308 J: 25 30.154 1.968 0.962 0.809 0.833 0.542 CA 1.461 20 residues pruned to eliminate duplicates K: 16 36.019 2.278 0.713 0.944 1.000 1.000 CB 1.651 17 residues pruned to eliminate duplicates L: 14 36.351 2.269 1.063 0.930 1.000 0.769 CA 1.506 M: 18 41.891 2.228 1.120 0.865 1.000 0.824 CB 1.576 16 residues pruned to eliminate duplicates N: 21 31.554 2.188 1.008 0.851 0.950 0.700 CA 1.251 21 residues pruned to eliminate duplicates O: 22 37.427 2.164 0.879 0.824 0.952 0.619 CB 1.592 P: 13 37.271 2.255 1.078 0.880 1.000 0.750 CA 1.664 13 residues pruned to eliminate duplicates Q: 18 27.644 2.043 0.881 0.849 0.941 0.765 CA 1.374 18 residues pruned to eliminate duplicates R: 21 34.412 2.148 1.009 0.815 0.950 0.550 CA 1.428 26 residues pruned to eliminate duplicates S: 17 42.930 2.263 1.257 0.860 0.938 0.750 CB 1.647 19 residues pruned to eliminate duplicates T: 12 36.805 2.165 1.137 0.923 1.000 0.818 CA 1.686 13 residues pruned to eliminate duplicates U: 55 35.963 2.122 1.118 0.560 0.796 0.389 CB 1.290 V: 15 25.948 2.078 1.073 0.815 0.929 0.643 CB 1.318 15 residues pruned to eliminate duplicates W: 14 29.292 2.196 0.689 0.912 1.000 0.769 CB 1.551 14 residues pruned to eliminate duplicates X: 20 34.510 2.109 1.107 0.880 0.895 0.684 CA 1.443 20 residues pruned to eliminate duplicates Y: 21 36.439 2.162 1.083 0.861 0.950 0.700 CA 1.399 21 residues pruned to eliminate duplicates Z: 16 36.726 2.228 1.109 0.921 0.933 0.667 CA 1.522 16 residues pruned to eliminate duplicates Z: 17 35.876 2.262 0.975 0.837 1.000 0.750 CB 1.501 16 residues pruned to eliminate duplicates Z: 14 28.535 2.162 0.817 0.887 1.000 0.846 CA 1.452 14 residues pruned to eliminate duplicates Z: 14 31.539 2.126 0.973 0.871 1.000 0.846 CB 1.522 15 residues pruned to eliminate duplicates Z: 13 38.672 2.237 1.190 0.904 1.000 0.750 CA 1.624 13 residues pruned to eliminate duplicates Z: 15 27.696 2.076 1.075 0.826 0.929 0.571 CB 1.396 15 residues pruned to eliminate duplicates Z: 13 24.383 1.990 0.801 0.945 1.000 1.000 CA 1.360 13 residues pruned to eliminate duplicates Z: 19 39.305 2.262 1.074 0.875 0.944 0.500 CA 1.521 19 residues pruned to eliminate duplicates Z: 12 28.563 2.250 1.128 0.860 0.909 0.455 CB 1.455 12 residues pruned to eliminate duplicates Z: 14 31.935 2.118 0.996 0.854 1.000 0.692 CB 1.547 14 residues pruned to eliminate duplicates Z: 127 81.787 2.162 1.038 0.662 0.929 0.643 CB 1.533 48 residues pruned to eliminate duplicates Z: 21 45.130 2.206 1.222 0.874 0.950 0.800 CA 1.578 22 residues pruned to eliminate duplicates Z: 11 9.369 1.807 0.791 0.381 0.700 0.600 N 1.485 Z: 20 17.059 2.035 0.798 0.445 0.895 0.579 CB 1.265 Z: 14 38.246 2.230 1.231 0.897 1.000 0.769 CB 1.526 14 residues pruned to eliminate duplicates Z: 19 32.449 2.103 1.149 0.809 0.889 0.667 CB 1.454 19 residues pruned to eliminate duplicates Z: 14 34.094 2.186 0.992 0.908 1.000 0.923 CA 1.542 14 residues pruned to eliminate duplicates Z: 11 30.664 2.247 1.076 0.906 1.000 0.900 CB 1.479 Z: 12 17.951 1.796 0.530 0.903 1.000 0.545 CA 1.404 Z: 13 20.631 2.103 0.713 0.910 1.000 0.833 CA 1.172 13 residues pruned to eliminate duplicates Z: 53 34.828 2.083 0.888 0.503 0.885 0.596 CB 1.384 20 residues pruned to eliminate duplicates Z: 14 36.238 2.193 1.162 0.850 1.000 0.923 CA 1.571 13 residues pruned to eliminate duplicates Z: 12 26.483 1.985 1.168 0.853 0.818 0.636 CA 1.676 12 residues pruned to eliminate duplicates Z: 14 20.926 1.932 0.681 0.888 1.000 0.769 CA 1.287 14 residues pruned to eliminate duplicates Z: 13 19.554 1.824 0.960 0.874 1.000 0.667 CB 1.149 Z: 12 22.975 1.930 0.848 0.923 1.000 0.636 CA 1.366 Z: 12 26.704 2.094 0.963 0.858 0.909 0.727 CA 1.586 12 residues pruned to eliminate duplicates Z: 13 28.662 2.184 1.151 0.911 1.000 1.000 CB 1.248 12 residues pruned to eliminate duplicates Z: 20 36.109 2.183 0.991 0.890 0.895 0.789 CB 1.533 20 residues pruned to eliminate duplicates Z: 22 21.392 2.037 0.974 0.364 0.857 0.667 CA 1.567 20 residues pruned to eliminate duplicates Z: 20 34.145 2.188 1.008 0.876 0.895 0.737 CA 1.449 20 residues pruned to eliminate duplicates Z: 17 39.822 2.216 1.120 0.883 1.000 0.875 CA 1.532 Z: 12 32.055 2.115 0.962 0.911 1.000 0.727 CB 1.651 12 residues pruned to eliminate duplicates Z: 14 30.205 2.219 0.913 0.833 1.000 0.846 CB 1.480 14 residues pruned to eliminate duplicates Z: 11 17.321 2.000 0.531 0.899 1.000 0.700 CA 1.279 11 residues pruned to eliminate duplicates Z: 8 8.823 1.682 0.493 0.737 0.857 0.714 CA 1.252 8 residues pruned to eliminate duplicates Z: 21 22.823 2.105 1.041 0.436 0.850 0.550 CA 1.493 21 residues pruned to eliminate duplicates Z: 20 35.471 2.284 1.071 0.869 0.947 0.684 CA 1.327 20 residues pruned to eliminate duplicates Z: 13 23.248 2.056 0.938 0.845 1.000 0.750 CA 1.252 13 residues pruned to eliminate duplicates Z: 19 30.662 1.987 1.083 0.890 0.944 0.611 CB 1.330 19 residues pruned to eliminate duplicates Z: 14 33.663 2.166 0.993 0.869 1.000 0.923 CB 1.580 14 residues pruned to eliminate duplicates Z: 19 27.624 2.155 0.927 0.916 0.833 0.722 CA 1.329 19 residues pruned to eliminate duplicates Z: 21 30.827 2.091 0.768 0.838 0.900 0.750 CA 1.549 21 residues pruned to eliminate duplicates Z: 13 16.581 1.828 0.646 0.756 1.000 0.750 CB 1.266 13 residues pruned to eliminate duplicates Z: 17 32.996 2.092 1.038 0.829 0.938 0.812 CA 1.553 17 residues pruned to eliminate duplicates Z: 13 22.015 1.980 1.049 0.857 0.917 0.667 CB 1.259 13 residues pruned to eliminate duplicates Z: 20 33.956 2.217 0.934 0.856 0.895 0.632 CA 1.497 20 residues pruned to eliminate duplicates Z: 20 32.266 2.152 0.959 0.872 0.895 0.789 CA 1.430 20 residues pruned to eliminate duplicates Z: 87 79.930 2.172 1.118 0.728 0.965 0.663 CA 1.581 88 residues pruned to eliminate duplicates Z: 59 26.602 1.945 0.645 0.429 0.879 0.569 CB 1.337 35 residues pruned to eliminate duplicates Z: 11 26.103 2.263 0.719 0.903 1.000 0.500 CA 1.513 Z: 12 24.020 2.163 0.915 0.849 1.000 0.818 CA 1.296 Z: 67 46.823 2.140 0.987 0.508 0.909 0.652 CB 1.480 28 residues pruned to eliminate duplicates Z: 68 58.301 2.171 0.901 0.679 0.940 0.612 CA 1.556 48 residues pruned to eliminate duplicates Z: 13 31.669 2.094 0.927 0.909 1.000 0.667 CA 1.608 13 residues pruned to eliminate duplicates Z: 18 39.236 2.170 1.131 0.838 1.000 0.588 CB 1.538 18 residues pruned to eliminate duplicates Z: 19 27.379 2.146 1.027 0.681 0.889 0.667 CB 1.412 19 residues pruned to eliminate duplicates Z: 14 31.229 2.165 1.301 0.919 0.846 0.769 CA 1.448 14 residues pruned to eliminate duplicates Z: 13 17.249 1.958 0.542 0.850 1.000 0.917 CB 1.222 Z: 17 31.501 2.193 0.702 0.835 1.000 0.812 CB 1.581 17 residues pruned to eliminate duplicates Z: 10 28.003 2.281 0.875 0.893 1.000 0.556 CA 1.567 10 residues pruned to eliminate duplicates Z: 12 28.229 2.106 0.971 0.900 1.000 0.909 CB 1.464 12 residues pruned to eliminate duplicates Z: 12 18.461 2.224 0.649 0.839 0.909 0.909 CA 1.247 Z: 12 25.866 2.248 0.785 0.863 1.000 0.727 CA 1.426 12 residues pruned to eliminate duplicates Z: 21 41.678 2.172 1.250 0.880 0.950 0.650 CA 1.454 21 residues pruned to eliminate duplicates Z: 14 26.515 2.104 0.802 0.870 0.923 0.846 CB 1.534 14 residues pruned to eliminate duplicates Z: 13 29.037 2.146 1.064 0.835 1.000 0.833 CA 1.418 13 residues pruned to eliminate duplicates Z: 10 7.050 1.751 0.918 0.426 0.667 0.667 CB 1.134 10 residues pruned to eliminate duplicates Z: 21 37.883 2.165 1.121 0.893 0.850 0.700 CA 1.557 21 residues pruned to eliminate duplicates Z: 18 30.363 2.093 0.726 0.849 1.000 0.706 CB 1.511 18 residues pruned to eliminate duplicates Z: 12 21.637 2.029 0.708 0.924 0.909 0.727 CB 1.454 12 residues pruned to eliminate duplicates Z: 13 24.125 2.208 0.824 0.763 0.917 0.750 CA 1.494 13 residues pruned to eliminate duplicates Z: 13 37.581 2.399 0.914 0.906 1.000 0.917 CA 1.681 13 residues pruned to eliminate duplicates Z: 11 34.858 2.246 1.239 0.896 1.000 0.700 CB 1.571 11 residues pruned to eliminate duplicates Z: 20 36.839 2.182 0.904 0.867 0.947 0.632 CB 1.571 20 residues pruned to eliminate duplicates Z: 18 42.610 2.212 1.444 0.872 0.941 0.647 CB 1.480 17 residues pruned to eliminate duplicates Z: 6 7.572 1.804 0.397 0.821 0.800 0.800 CA 1.271 Z: 13 18.437 1.926 0.608 0.851 0.917 0.750 CA 1.389 13 residues pruned to eliminate duplicates Z: 68 41.232 2.092 0.713 0.510 0.955 0.567 CB 1.456 23 residues pruned to eliminate duplicates Z: 20 25.032 2.179 1.146 0.465 0.895 0.579 CA 1.423 20 residues pruned to eliminate duplicates Z: 10 30.321 2.366 1.022 0.923 0.889 0.667 CA 1.671 10 residues pruned to eliminate duplicates Z: 13 27.777 2.136 1.050 0.848 1.000 0.750 CA 1.358 13 residues pruned to eliminate duplicates Z: 13 41.191 2.298 1.246 0.920 1.000 0.750 CA 1.623 13 residues pruned to eliminate duplicates Z: 20 36.272 2.187 0.904 0.888 0.895 0.789 CA 1.609 20 residues pruned to eliminate duplicates Z: 12 27.749 2.036 1.173 0.914 0.909 0.818 CA 1.471 12 residues pruned to eliminate duplicates Z: 12 22.397 2.141 0.487 0.908 1.000 1.000 CA 1.507 12 residues pruned to eliminate duplicates Z: 16 21.840 1.960 0.762 0.893 0.933 0.867 CA 1.255 Z: 14 26.250 2.222 0.590 0.941 1.000 1.000 CA 1.430 14 residues pruned to eliminate duplicates Z: 15 24.465 2.146 1.128 0.807 0.857 0.643 CB 1.278 15 residues pruned to eliminate duplicates Z: 26 16.520 1.951 0.960 0.403 0.720 0.480 CB 1.328 32 residues pruned to eliminate duplicates Z: 14 33.420 2.023 1.098 0.913 1.000 0.846 CA 1.546 14 residues pruned to eliminate duplicates Z: 10 13.142 1.772 0.432 0.832 0.889 0.889 CA 1.457 Z: 123 75.526 2.185 1.056 0.588 0.934 0.574 CA 1.497 121 residues pruned to eliminate duplicates Z: 11 19.709 2.036 0.976 0.870 0.900 0.700 CA 1.257 11 residues pruned to eliminate duplicates Z: 12 20.099 2.028 0.727 0.899 0.909 0.636 CB 1.360 12 residues pruned to eliminate duplicates Z: 14 23.334 2.183 0.807 0.800 1.000 0.846 CA 1.262 16 residues pruned to eliminate duplicates Z: 13 27.045 2.301 0.918 0.834 0.917 0.667 CA 1.447 13 residues pruned to eliminate duplicates Z: 17 28.039 2.090 0.862 0.908 0.938 0.812 CB 1.364 17 residues pruned to eliminate duplicates Z: 7 13.109 2.002 0.685 0.643 1.000 0.667 CB 1.388 7 residues pruned to eliminate duplicates Z: 21 34.230 2.144 0.893 0.859 1.000 0.700 CA 1.388 21 residues pruned to eliminate duplicates Z: 13 22.504 1.771 1.043 0.849 1.000 0.583 CA 1.331 13 residues pruned to eliminate duplicates Z: 12 26.384 2.109 1.011 0.883 0.909 0.818 CA 1.492 12 residues pruned to eliminate duplicates Z: 12 28.027 2.098 0.912 0.899 1.000 0.909 CA 1.506 12 residues pruned to eliminate duplicates Z: 15 41.230 2.237 1.238 0.948 1.000 0.857 CB 1.520 15 residues pruned to eliminate duplicates Z: 15 23.255 2.111 0.731 0.909 1.000 0.929 CB 1.207 15 residues pruned to eliminate duplicates Z: 19 41.861 2.271 1.000 0.873 1.000 0.722 CA 1.582 19 residues pruned to eliminate duplicates Z: 12 18.864 2.006 0.862 0.852 0.818 0.818 CA 1.378 12 residues pruned to eliminate duplicates Z: 12 28.797 2.235 1.102 0.824 0.909 0.545 CB 1.535 12 residues pruned to eliminate duplicates Z: 12 26.046 2.234 0.672 0.875 1.000 0.727 CA 1.529 12 residues pruned to eliminate duplicates Z: 13 32.267 2.141 1.040 0.867 1.000 0.667 CA 1.560 13 residues pruned to eliminate duplicates Z: 13 28.969 2.056 1.176 0.899 0.917 0.917 CB 1.457 13 residues pruned to eliminate duplicates Z: 13 31.439 2.110 1.107 0.920 1.000 1.000 CB 1.438 13 residues pruned to eliminate duplicates Z: 37 24.837 1.944 1.063 0.532 0.778 0.444 CB 1.286 33 residues pruned to eliminate duplicates Z: 20 37.673 2.040 1.047 0.902 0.947 0.579 CA 1.558 20 residues pruned to eliminate duplicates Z: 12 26.120 2.058 1.140 0.912 0.818 0.727 CB 1.547 11 residues pruned to eliminate duplicates Z: 20 39.102 2.238 1.003 0.868 1.000 0.789 CA 1.463 20 residues pruned to eliminate duplicates Z: 14 21.357 2.003 0.559 0.797 1.000 0.846 CA 1.463 14 residues pruned to eliminate duplicates Z: 13 19.797 1.915 0.717 0.910 0.917 0.833 CB 1.345 13 residues pruned to eliminate duplicates Z: 19 33.807 2.041 1.043 0.898 1.000 0.889 CB 1.367 19 residues pruned to eliminate duplicates Z: 21 31.295 2.154 0.837 0.845 0.950 0.750 CA 1.384 21 residues pruned to eliminate duplicates Z: 21 38.954 2.254 1.442 0.611 0.850 0.650 CA 1.676 21 residues pruned to eliminate duplicates Z: 8 13.561 1.930 0.592 0.866 1.000 0.286 CB 1.221 8 residues pruned to eliminate duplicates Z: 18 40.802 2.212 1.303 0.866 0.941 0.765 CB 1.511 18 residues pruned to eliminate duplicates Z: 8 6.837 1.480 0.838 0.549 0.857 0.857 CB 1.056 Z: 10 18.393 2.057 0.875 0.904 0.889 0.778 CA 1.273 10 residues pruned to eliminate duplicates Z: 13 25.986 2.003 1.063 0.828 1.000 0.667 CB 1.366 13 residues pruned to eliminate duplicates Z: 12 23.199 2.205 0.547 0.942 1.000 0.909 CA 1.422 12 residues pruned to eliminate duplicates Z: 10 13.664 1.812 1.388 0.551 0.778 0.667 CB 1.288 11 residues pruned to eliminate duplicates Z: 22 36.192 2.032 1.099 0.859 0.952 0.476 CB 1.431 22 residues pruned to eliminate duplicates Z: 14 32.211 2.200 1.084 0.884 1.000 0.769 CB 1.408 14 residues pruned to eliminate duplicates Z: 13 28.524 2.114 0.910 0.863 1.000 0.833 CB 1.496 13 residues pruned to eliminate duplicates Z: 6 9.341 1.860 0.695 0.655 0.800 0.400 CA 1.435 6 residues pruned to eliminate duplicates Z: 8 8.969 1.892 0.674 0.568 0.714 0.714 CB 1.404 8 residues pruned to eliminate duplicates Z: 15 27.099 2.064 0.911 0.819 1.000 0.786 CB 1.392 15 residues pruned to eliminate duplicates Z: 13 24.954 2.010 0.745 0.916 1.000 1.000 CB 1.451 13 residues pruned to eliminate duplicates Z: 31 32.289 2.169 0.907 0.566 0.900 0.800 CA 1.486 31 residues pruned to eliminate duplicates Z: 13 29.080 2.213 1.143 0.773 0.917 0.833 CA 1.517 13 residues pruned to eliminate duplicates Z: 43 38.426 2.109 1.018 0.607 0.905 0.571 CB 1.391 46 residues pruned to eliminate duplicates Z: 13 6.790 1.840 0.379 0.218 0.750 0.417 CA 1.435 Z: 12 34.154 2.270 1.164 0.848 1.000 0.818 CA 1.555 12 residues pruned to eliminate duplicates Z: 12 18.342 2.031 1.131 0.818 0.818 0.364 CB 1.184 12 residues pruned to eliminate duplicates Z: 20 28.621 2.184 0.594 0.859 0.947 0.737 CA 1.465 20 residues pruned to eliminate duplicates Z: 19 27.486 2.009 0.725 0.822 1.000 0.778 CA 1.414 18 residues pruned to eliminate duplicates Z: 7 8.999 1.839 0.446 0.523 1.000 0.833 N 1.351 Z: 59 31.003 1.993 0.811 0.527 0.897 0.500 CB 1.225 36 residues pruned to eliminate duplicates Z: 34 24.995 1.865 0.795 0.539 0.970 0.727 CA 1.290 12 residues pruned to eliminate duplicates Z: 12 36.660 2.122 1.253 0.912 1.000 0.909 CA 1.638 13 residues pruned to eliminate duplicates Z: 10 28.002 2.016 1.010 0.901 1.000 0.778 CB 1.644 10 residues pruned to eliminate duplicates Z: 9 11.934 1.842 0.826 0.441 1.000 0.750 CB 1.333 9 residues pruned to eliminate duplicates Z: 13 9.058 1.906 0.751 0.334 0.667 0.333 CB 1.411 Z: 21 33.421 2.179 0.901 0.829 0.900 0.750 CB 1.508 21 residues pruned to eliminate duplicates Z: 15 34.267 2.144 1.491 0.899 1.000 0.857 CB 1.226 15 residues pruned to eliminate duplicates Z: 19 33.634 2.054 1.140 0.896 0.944 0.722 CB 1.368 19 residues pruned to eliminate duplicates Z: 11 25.872 2.219 0.840 0.889 1.000 0.800 CB 1.442 11 residues pruned to eliminate duplicates Z: 6 12.626 1.656 1.227 0.752 1.000 0.800 N 1.223 6 residues pruned to eliminate duplicates Z: 21 39.407 2.154 0.938 0.858 1.000 0.550 CA 1.555 21 residues pruned to eliminate duplicates Z: 20 34.975 2.084 1.069 0.912 0.842 0.579 CA 1.565 20 residues pruned to eliminate duplicates Z: 7 7.778 1.697 0.595 0.670 0.833 0.667 CA 1.203 Z: 8 10.686 1.956 0.839 0.359 0.857 0.571 CA 1.525 Z: 7 3.464 1.600 0.350 0.303 0.667 0.500 N 1.223 Z: 9 7.714 1.739 0.786 0.484 0.875 0.500 CB 1.020 12 residues pruned to eliminate duplicates Z: 13 22.578 1.996 0.960 0.894 1.000 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 13 24.496 1.987 1.026 0.915 0.917 0.750 CA 1.355 13 residues pruned to eliminate duplicates Z: 100 74.436 2.169 1.062 0.690 0.939 0.636 CB 1.497 100 residues pruned to eliminate duplicates Z: 13 24.021 1.761 1.134 0.883 1.000 0.583 CA 1.334 13 residues pruned to eliminate duplicates Z: 19 26.421 2.061 0.980 0.805 0.889 0.500 CB 1.316 19 residues pruned to eliminate duplicates Z: 19 37.548 2.124 1.329 0.853 0.944 0.278 CB 1.400 19 residues pruned to eliminate duplicates Z: 12 29.252 2.209 0.960 0.887 1.000 0.909 CA 1.469 12 residues pruned to eliminate duplicates Z: 11 28.611 2.251 1.395 0.898 0.900 0.900 CB 1.334 11 residues pruned to eliminate duplicates Z: 21 41.162 2.124 1.093 0.894 0.950 0.700 CA 1.564 21 residues pruned to eliminate duplicates Z: 18 23.188 1.941 0.709 0.915 0.941 0.824 CB 1.273 18 residues pruned to eliminate duplicates Z: 19 31.715 2.054 1.008 0.813 0.944 0.778 CB 1.461 19 residues pruned to eliminate duplicates Z: 14 29.772 2.173 1.133 0.864 0.923 0.538 CB 1.414 14 residues pruned to eliminate duplicates Z: 82 57.609 2.163 1.023 0.608 0.877 0.654 CA 1.506 82 residues pruned to eliminate duplicates Z: 12 20.389 1.998 0.841 0.866 0.909 0.727 CB 1.345 12 residues pruned to eliminate duplicates Z: 12 32.268 2.230 1.035 0.838 1.000 0.727 CA 1.602 12 residues pruned to eliminate duplicates Z: 56 36.058 2.030 0.888 0.460 0.927 0.600 CB 1.425 56 residues pruned to eliminate duplicates Z: 12 20.048 1.917 0.842 0.870 0.909 0.636 CB 1.375 12 residues pruned to eliminate duplicates Z: 12 21.747 2.156 0.542 0.860 1.000 0.727 CB 1.450 12 residues pruned to eliminate duplicates Z: 9 13.539 1.769 0.857 0.698 1.000 0.750 CB 1.216 Z: 11 31.412 2.215 1.146 0.904 1.000 0.800 CB 1.488 11 residues pruned to eliminate duplicates Z: 13 36.839 2.268 1.254 0.872 1.000 0.750 CA 1.516 13 residues pruned to eliminate duplicates Z: 19 24.159 1.928 0.716 0.854 0.944 0.778 CA 1.346 16 residues pruned to eliminate duplicates Z: 12 18.562 1.920 1.059 0.871 0.909 0.727 CA 1.136 12 residues pruned to eliminate duplicates Z: 18 27.402 2.003 0.748 0.921 0.941 0.824 CA 1.419 18 residues pruned to eliminate duplicates Z: 22 23.652 2.127 1.101 0.391 0.810 0.524 CA 1.602 22 residues pruned to eliminate duplicates Z: 19 38.763 2.104 1.166 0.841 1.000 0.556 CA 1.494 18 residues pruned to eliminate duplicates Z: 21 35.626 2.160 1.202 0.836 1.000 0.500 CA 1.254 21 residues pruned to eliminate duplicates Z: 8 15.614 2.191 0.602 0.771 1.000 0.857 CA 1.323 8 residues pruned to eliminate duplicates Z: 17 41.421 2.175 1.239 0.930 0.938 0.938 CB 1.586 18 residues pruned to eliminate duplicates Z: 17 17.408 1.966 0.274 0.887 1.000 1.000 CA 1.253 17 residues pruned to eliminate duplicates Z: 11 22.331 1.977 0.860 0.821 0.900 0.600 CB 1.615 11 residues pruned to eliminate duplicates Z: 7 10.013 1.925 1.031 0.498 1.000 0.833 CB 1.048 9 residues pruned to eliminate duplicates Z: 13 16.586 1.819 0.812 0.895 0.833 0.667 CA 1.250 13 residues pruned to eliminate duplicates Z: 113 90.930 2.237 1.148 0.685 0.946 0.652 CB 1.595 103 residues pruned to eliminate duplicates Z: 11 27.849 2.086 1.210 0.912 0.900 0.500 CA 1.504 11 residues pruned to eliminate duplicates Z: 20 32.944 2.206 0.953 0.899 0.947 0.737 CA 1.323 20 residues pruned to eliminate duplicates Z: 54 46.304 2.161 1.088 0.586 0.906 0.509 CB 1.433 54 residues pruned to eliminate duplicates Z: 21 28.181 1.857 1.001 0.877 0.950 0.650 CA 1.296 19 residues pruned to eliminate duplicates Z: 18 31.300 2.088 1.125 0.896 0.941 0.765 CB 1.302 18 residues pruned to eliminate duplicates Z: 13 27.566 2.079 1.096 0.850 1.000 0.583 CA 1.352 13 residues pruned to eliminate duplicates Z: 13 22.562 1.772 0.957 0.892 1.000 0.917 CA 1.349 13 residues pruned to eliminate duplicates Z: 25 28.237 2.059 1.185 0.546 0.875 0.542 CA 1.399 25 residues pruned to eliminate duplicates Z: 12 24.609 2.005 0.910 0.936 1.000 0.727 CB 1.349 12 residues pruned to eliminate duplicates Z: 40 30.386 1.916 1.053 0.663 0.897 0.667 CB 1.185 23 residues pruned to eliminate duplicates Z: 8 15.770 1.885 0.977 0.875 0.857 0.714 CB 1.357 9 residues pruned to eliminate duplicates Z: 32 18.148 1.770 0.827 0.616 0.871 0.452 CB 1.037 27 residues pruned to eliminate duplicates Z: 14 23.997 1.941 0.908 0.874 1.000 0.769 CB 1.308 14 residues pruned to eliminate duplicates Z: 22 41.051 1.998 1.223 0.906 0.952 0.667 CB 1.506 22 residues pruned to eliminate duplicates Z: 42 37.655 2.113 1.202 0.611 0.878 0.366 CB 1.296 42 residues pruned to eliminate duplicates Z: 21 28.632 2.095 0.912 0.865 0.950 0.850 CA 1.232 21 residues pruned to eliminate duplicates Z: 12 17.345 2.131 0.637 0.851 1.000 1.000 CA 1.110 12 residues pruned to eliminate duplicates Z: 30 24.680 1.991 0.991 0.559 0.828 0.448 CB 1.320 43 residues pruned to eliminate duplicates Z: 78 65.071 2.181 0.987 0.686 0.922 0.662 CB 1.565 99 residues pruned to eliminate duplicates Z: 121 80.757 2.165 1.085 0.667 0.917 0.658 CB 1.526 125 residues pruned to eliminate duplicates Z: 22 29.648 2.137 0.756 0.848 0.905 0.762 CA 1.414 22 residues pruned to eliminate duplicates Z: 21 28.407 2.086 1.006 0.842 0.850 0.700 CA 1.330 21 residues pruned to eliminate duplicates Z: 23 29.147 1.957 0.994 0.817 0.818 0.545 CA 1.478 23 residues pruned to eliminate duplicates Z: 78 77.437 2.201 1.101 0.715 0.948 0.714 CB 1.657 78 residues pruned to eliminate duplicates Z: 14 24.775 1.933 1.190 0.897 1.000 0.692 CB 1.162 14 residues pruned to eliminate duplicates Z: 95 66.665 2.151 1.066 0.631 0.904 0.511 CB 1.513 95 residues pruned to eliminate duplicates Z: 20 37.091 2.166 1.037 0.903 0.895 0.579 CA 1.537 20 residues pruned to eliminate duplicates Z: 14 22.767 2.032 1.079 0.788 0.923 0.538 CB 1.257 14 residues pruned to eliminate duplicates Z: 54 27.087 1.859 0.641 0.481 0.925 0.547 CB 1.344 44 residues pruned to eliminate duplicates Z: 13 21.425 2.234 0.871 0.817 0.917 0.750 CA 1.225 14 residues pruned to eliminate duplicates Z: 12 22.692 2.028 0.794 0.880 1.000 0.818 CA 1.363 12 residues pruned to eliminate duplicates Z: 14 14.206 1.903 0.706 0.776 0.846 0.462 CB 1.124 14 residues pruned to eliminate duplicates Z: 7 6.528 1.759 0.612 0.617 0.667 0.667 N 1.262 5 residues pruned to eliminate duplicates Z: 8 7.300 1.629 0.627 0.657 0.857 0.714 CB 1.049 8 residues pruned to eliminate duplicates Z: 64 56.538 2.205 1.033 0.648 0.905 0.603 CB 1.531 64 residues pruned to eliminate duplicates Z: 31 22.203 2.045 0.894 0.401 0.767 0.433 CA 1.515 29 residues pruned to eliminate duplicates Z: 10 23.501 1.964 0.844 0.884 1.000 0.667 CA 1.563 10 residues pruned to eliminate duplicates Z: 20 25.089 1.767 0.821 0.909 0.947 0.579 CA 1.340 20 residues pruned to eliminate duplicates Z: 12 26.705 1.980 1.449 0.900 0.909 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 17 25.267 1.859 0.840 0.884 1.000 0.875 CA 1.335 17 residues pruned to eliminate duplicates Z: 12 24.693 2.232 0.702 0.864 1.000 0.909 CA 1.436 12 residues pruned to eliminate duplicates Z: 8 9.486 1.930 0.649 0.384 0.857 0.429 CB 1.487 8 residues pruned to eliminate duplicates Z: 21 32.381 2.142 0.944 0.878 0.900 0.700 CA 1.402 21 residues pruned to eliminate duplicates Z: 11 20.075 1.989 0.450 0.895 1.000 0.800 CB 1.578 11 residues pruned to eliminate duplicates Z: 20 38.186 2.208 0.832 0.893 1.000 0.632 CA 1.555 20 residues pruned to eliminate duplicates Z: 13 24.873 2.001 0.846 0.889 1.000 0.833 CB 1.399 13 residues pruned to eliminate duplicates Z: 16 23.952 1.922 0.853 0.794 0.933 0.933 CA 1.438 16 residues pruned to eliminate duplicates Z: 12 26.458 2.008 1.347 0.899 1.000 0.545 CB 1.210 12 residues pruned to eliminate duplicates Z: 19 29.933 2.070 0.957 0.850 0.944 0.556 CA 1.366 19 residues pruned to eliminate duplicates Z: 16 22.608 1.949 0.815 0.874 1.000 0.467 CB 1.201 7 residues pruned to eliminate duplicates Z: 11 14.719 1.772 0.525 0.895 1.000 1.000 CB 1.235 11 residues pruned to eliminate duplicates Z: 8 6.252 1.722 0.810 0.458 0.857 0.714 CA 0.924 8 residues pruned to eliminate duplicates Z: 14 25.231 1.955 1.050 0.842 1.000 0.846 CB 1.300 14 residues pruned to eliminate duplicates Z: 13 39.944 2.263 1.345 0.884 1.000 0.667 CA 1.571 13 residues pruned to eliminate duplicates Z: 13 22.440 2.052 0.524 0.919 1.000 1.000 CA 1.459 13 residues pruned to eliminate duplicates Z: 13 19.059 2.217 0.640 0.825 0.917 0.917 CA 1.246 12 residues pruned to eliminate duplicates Z: 41 32.141 2.033 0.864 0.635 0.850 0.500 CB 1.390 41 residues pruned to eliminate duplicates Z: 13 22.989 2.000 0.683 0.862 1.000 0.667 CB 1.447 13 residues pruned to eliminate duplicates Z: 11 17.970 1.834 0.666 0.881 0.900 0.600 CA 1.497 11 residues pruned to eliminate duplicates Z: 13 23.302 1.975 0.767 0.901 1.000 0.917 CB 1.375 13 residues pruned to eliminate duplicates Z: 6 8.889 2.094 0.799 0.739 0.800 0.800 CA 1.065 6 residues pruned to eliminate duplicates Z: 12 20.080 1.806 0.842 0.928 1.000 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 16 14.354 2.118 0.945 0.419 0.667 0.467 CB 1.469 16 residues pruned to eliminate duplicates Z: 14 41.442 2.222 1.672 0.936 1.000 0.923 CB 1.348 14 residues pruned to eliminate duplicates Z: 11 27.584 2.028 0.845 0.891 1.000 0.900 CA 1.676 11 residues pruned to eliminate duplicates Z: 14 33.821 2.169 1.303 0.835 1.000 0.615 CB 1.407 14 residues pruned to eliminate duplicates Z: 8 3.520 1.843 0.047 0.298 0.714 0.571 N 1.210 8 residues pruned to eliminate duplicates Z: 44 24.945 1.940 0.679 0.502 0.907 0.581 CB 1.285 44 residues pruned to eliminate duplicates Z: 20 20.548 2.010 0.647 0.647 0.842 0.632 CA 1.475 20 residues pruned to eliminate duplicates Z: 13 22.204 1.725 1.132 0.899 1.000 0.667 CB 1.246 13 residues pruned to eliminate duplicates Z: 13 28.491 2.277 1.006 0.821 1.000 0.667 CA 1.363 14 residues pruned to eliminate duplicates Z: 18 25.417 1.870 0.990 0.825 1.000 0.588 CB 1.251 18 residues pruned to eliminate duplicates Z: 8 7.933 1.568 1.045 0.573 1.000 0.571 CA 0.871 8 residues pruned to eliminate duplicates Z: 17 21.999 1.927 0.596 0.866 1.000 0.812 CB 1.309 18 residues pruned to eliminate duplicates Z: 12 18.130 1.967 0.705 0.862 0.909 0.545 CA 1.316 12 residues pruned to eliminate duplicates Z: 7 11.180 1.880 0.970 0.677 0.833 0.833 CA 1.256 9 residues pruned to eliminate duplicates Z: 14 12.487 1.953 0.761 0.370 0.769 0.615 CB 1.504 14 residues pruned to eliminate duplicates Z: 13 26.127 2.190 0.906 0.833 1.000 0.500 CA 1.355 13 residues pruned to eliminate duplicates Z: 9 4.954 1.625 0.767 0.312 0.625 0.375 O 1.201 Z: 14 23.423 1.989 0.863 0.898 1.000 0.923 CB 1.255 14 residues pruned to eliminate duplicates Z: 10 7.412 1.717 0.751 0.310 0.778 0.556 CA 1.305 10 residues pruned to eliminate duplicates Z: 10 11.801 1.825 0.160 0.833 1.000 0.667 CA 1.394 11 residues pruned to eliminate duplicates Z: 12 22.444 2.014 1.109 0.904 0.818 0.727 CA 1.387 12 residues pruned to eliminate duplicates Z: 9 11.138 1.790 0.585 0.825 0.875 0.625 CB 1.197 9 residues pruned to eliminate duplicates Z: 9 11.209 1.939 0.280 0.825 0.750 0.625 CB 1.607 9 residues pruned to eliminate duplicates Z: 17 39.007 2.175 1.077 0.947 0.938 0.500 CA 1.592 17 residues pruned to eliminate duplicates Z: 14 32.433 2.085 1.432 0.889 0.923 0.615 CA 1.384 14 residues pruned to eliminate duplicates Z: 9 14.657 1.824 0.470 0.815 1.000 0.500 CA 1.470 9 residues pruned to eliminate duplicates Z: 19 23.275 1.837 0.697 0.887 1.000 0.833 CA 1.269 19 residues pruned to eliminate duplicates Z: 21 24.758 2.102 0.583 0.871 1.000 0.850 CA 1.213 21 residues pruned to eliminate duplicates Z: 11 30.689 2.257 1.346 0.898 0.900 0.500 CB 1.457 11 residues pruned to eliminate duplicates Z: 110 90.290 2.230 1.165 0.708 0.936 0.661 CA 1.584 110 residues pruned to eliminate duplicates Z: 17 42.788 2.276 1.571 0.879 0.938 0.250 CB 1.414 17 residues pruned to eliminate duplicates Z: 14 21.035 2.003 0.651 0.808 0.923 0.692 CB 1.462 14 residues pruned to eliminate duplicates Z: 13 17.220 1.685 0.755 0.885 0.917 0.833 CA 1.324 13 residues pruned to eliminate duplicates Z: 13 23.159 1.895 1.105 0.881 0.917 0.750 CB 1.324 13 residues pruned to eliminate duplicates Z: 13 13.537 1.803 0.654 0.802 1.000 0.667 CB 1.006 13 residues pruned to eliminate duplicates Z: 17 35.180 2.098 1.209 0.949 0.938 0.625 CB 1.397 17 residues pruned to eliminate duplicates Z: 66 40.107 2.090 0.753 0.519 0.892 0.646 CB 1.493 66 residues pruned to eliminate duplicates Z: 6 5.646 1.654 0.873 0.498 0.800 0.600 CA 1.020 Z: 13 29.685 2.320 1.184 0.869 0.917 0.750 CA 1.348 13 residues pruned to eliminate duplicates Z: 13 16.970 1.822 0.980 0.910 0.917 0.833 CA 1.051 13 residues pruned to eliminate duplicates Z: 12 16.547 1.827 0.740 0.918 1.000 0.909 CB 1.107 12 residues pruned to eliminate duplicates Z: 13 22.838 1.949 0.702 0.898 1.000 0.917 CA 1.421 13 residues pruned to eliminate duplicates Z: 54 31.753 1.984 0.863 0.470 0.868 0.491 CB 1.401 54 residues pruned to eliminate duplicates Z: 13 33.185 2.063 1.345 0.879 1.000 0.833 CB 1.436 13 residues pruned to eliminate duplicates Z: 12 22.297 2.018 0.927 0.890 0.909 0.818 CB 1.369 12 residues pruned to eliminate duplicates Z: 12 17.503 1.755 0.653 0.817 1.000 0.727 CA 1.381 12 residues pruned to eliminate duplicates Z: 16 22.427 1.943 0.948 0.902 0.867 0.533 CA 1.259 16 residues pruned to eliminate duplicates Z: 44 42.721 2.141 1.057 0.568 0.930 0.581 CA 1.489 44 residues pruned to eliminate duplicates Z: 16 22.526 1.915 0.791 0.945 0.933 0.467 CB 1.258 16 residues pruned to eliminate duplicates Z: 32 17.282 1.815 0.615 0.396 0.839 0.645 CB 1.409 32 residues pruned to eliminate duplicates Z: 15 24.257 1.946 1.081 0.802 0.929 0.857 CB 1.325 15 residues pruned to eliminate duplicates Z: 96 63.821 2.144 0.856 0.686 0.916 0.758 CA 1.516 96 residues pruned to eliminate duplicates Z: 7 7.886 1.701 1.155 0.497 0.667 0.667 CB 1.321 Z: 12 22.276 1.928 1.203 0.880 0.818 0.727 CA 1.400 12 residues pruned to eliminate duplicates Z: 21 32.435 2.165 0.934 0.885 0.950 0.700 CA 1.317 21 residues pruned to eliminate duplicates Z: 32 31.744 2.143 1.078 0.548 0.839 0.452 CB 1.456 29 residues pruned to eliminate duplicates Z: 10 6.884 1.532 0.735 0.500 0.778 0.556 CB 1.109 Z: 20 16.175 1.965 0.811 0.482 0.789 0.632 CB 1.345 20 residues pruned to eliminate duplicates Z: 39 30.425 1.960 0.808 0.569 0.921 0.658 CB 1.414 39 residues pruned to eliminate duplicates Z: 7 8.139 1.560 0.941 0.545 1.000 0.667 CA 1.050 7 residues pruned to eliminate duplicates Z: 13 26.552 2.011 0.878 0.916 1.000 0.750 CB 1.434 13 residues pruned to eliminate duplicates Z: 10 12.946 1.797 0.554 0.841 1.000 0.667 CB 1.151 10 residues pruned to eliminate duplicates Z: 19 31.248 2.236 0.853 0.847 0.833 0.722 CA 1.583 19 residues pruned to eliminate duplicates Z: 17 44.359 2.235 1.174 0.944 1.000 0.875 CA 1.581 17 residues pruned to eliminate duplicates Z: 18 19.983 1.819 0.808 0.826 1.000 0.647 CB 1.111 18 residues pruned to eliminate duplicates Z: 16 27.649 1.905 0.954 0.807 1.000 0.667 CA 1.467 16 residues pruned to eliminate duplicates Z: 51 37.222 1.985 1.066 0.549 0.880 0.500 CB 1.391 46 residues pruned to eliminate duplicates Z: 17 20.087 1.864 0.584 0.902 0.938 0.812 CA 1.294 17 residues pruned to eliminate duplicates Z: 110 91.708 2.231 1.132 0.712 0.963 0.706 CA 1.581 110 residues pruned to eliminate duplicates Z: 14 25.626 1.869 1.041 0.881 1.000 0.846 CA 1.349 14 residues pruned to eliminate duplicates Z: 15 19.728 2.006 0.757 0.874 0.857 0.786 CA 1.270 15 residues pruned to eliminate duplicates Z: 30 27.949 1.951 1.128 0.495 0.862 0.414 CB 1.458 20 residues pruned to eliminate duplicates Z: 21 37.444 2.128 1.073 0.856 0.950 0.650 CA 1.473 21 residues pruned to eliminate duplicates Z: 18 32.322 1.992 1.206 0.871 0.882 0.353 CA 1.475 18 residues pruned to eliminate duplicates Z: 17 21.759 1.919 0.717 0.855 1.000 0.812 CB 1.218 17 residues pruned to eliminate duplicates Z: 7 4.789 1.690 0.314 0.536 0.833 0.500 CB 1.019 Z: 79 58.797 2.137 1.028 0.651 0.885 0.641 CA 1.509 79 residues pruned to eliminate duplicates Z: 56 44.806 2.148 0.868 0.553 0.964 0.600 CA 1.484 56 residues pruned to eliminate duplicates Z: 21 25.651 2.046 0.802 0.689 0.950 0.750 CB 1.378 21 residues pruned to eliminate duplicates Z: 10 5.223 1.694 0.870 0.263 0.667 0.444 CB 1.081 4 residues pruned to eliminate duplicates Z: 64 45.665 2.073 1.080 0.555 0.873 0.556 CB 1.449 64 residues pruned to eliminate duplicates Z: 53 41.176 2.078 0.944 0.609 0.904 0.673 CB 1.410 53 residues pruned to eliminate duplicates Z: 12 15.873 1.754 0.698 0.864 1.000 0.818 CA 1.178 12 residues pruned to eliminate duplicates Z: 12 10.566 1.716 0.657 0.848 0.909 0.818 CA 0.915 Z: 11 15.512 2.150 0.261 0.921 1.000 1.000 CA 1.273 11 residues pruned to eliminate duplicates Z: 63 64.967 2.199 1.160 0.698 0.919 0.694 CB 1.577 63 residues pruned to eliminate duplicates Z: 6 8.898 1.914 0.453 0.725 1.000 0.400 CA 1.168 6 residues pruned to eliminate duplicates Z: 12 17.776 1.954 0.814 0.842 1.000 0.727 CB 1.127 12 residues pruned to eliminate duplicates Z: 20 35.064 2.108 1.128 0.822 0.895 0.684 CA 1.516 20 residues pruned to eliminate duplicates Z: 50 34.196 2.058 0.743 0.528 0.939 0.673 CB 1.411 60 residues pruned to eliminate duplicates Z: 23 14.100 1.791 0.533 0.499 0.909 0.545 CB 1.205 23 residues pruned to eliminate duplicates Z: 13 28.502 2.195 0.776 0.875 1.000 0.833 CA 1.534 13 residues pruned to eliminate duplicates Z: 11 11.355 1.671 0.240 0.905 1.000 0.900 CB 1.234 Z: 8 10.723 1.836 0.806 0.706 1.000 0.571 CB 1.014 8 residues pruned to eliminate duplicates Z: 11 7.190 1.792 0.772 0.383 0.700 0.600 CB 1.158 Z: 9 12.161 1.905 0.299 0.860 0.875 0.750 CB 1.460 9 residues pruned to eliminate duplicates Z: 16 25.511 2.100 0.643 0.892 1.000 0.867 CA 1.372 16 residues pruned to eliminate duplicates Z: 17 16.724 1.882 0.420 0.826 0.938 0.750 CA 1.259 17 residues pruned to eliminate duplicates Z: 59 47.132 2.180 0.989 0.490 0.931 0.672 CB 1.548 59 residues pruned to eliminate duplicates Z: 10 13.092 1.705 0.686 0.883 1.000 0.778 CB 1.097 11 residues pruned to eliminate duplicates Z: 12 16.922 1.857 0.983 0.901 1.000 0.727 CA 0.989 12 residues pruned to eliminate duplicates Z: 21 13.551 1.785 0.771 0.554 0.750 0.600 CB 1.213 21 residues pruned to eliminate duplicates Z: 26 15.693 1.906 0.635 0.392 0.880 0.560 CB 1.282 26 residues pruned to eliminate duplicates Z: 13 23.446 1.884 0.983 0.909 1.000 0.667 CB 1.286 13 residues pruned to eliminate duplicates Z: 13 7.148 1.679 0.551 0.361 0.917 0.750 CA 1.004 13 residues pruned to eliminate duplicates Z: 8 5.963 1.795 0.737 0.375 0.571 0.429 CB 1.445 8 residues pruned to eliminate duplicates Z: 12 29.154 2.147 1.332 0.897 0.909 0.455 CB 1.382 12 residues pruned to eliminate duplicates Z: 16 27.655 1.950 1.177 0.878 0.933 0.267 CB 1.308 17 residues pruned to eliminate duplicates Z: 7 4.293 1.574 0.472 0.548 0.833 0.667 CB 0.866 7 residues pruned to eliminate duplicates Z: 21 21.619 1.836 0.634 0.853 0.950 0.500 CA 1.254 21 residues pruned to eliminate duplicates Z: 10 6.523 1.607 0.741 0.381 0.778 0.444 CB 1.134 Z: 16 46.684 2.218 1.481 0.949 0.933 0.600 CB 1.620 16 residues pruned to eliminate duplicates Z: 13 23.725 2.026 0.805 0.879 1.000 0.833 CB 1.358 13 residues pruned to eliminate duplicates Z: 62 37.909 2.009 1.007 0.560 0.852 0.607 CB 1.332 62 residues pruned to eliminate duplicates Z: 28 20.143 1.792 0.841 0.541 0.963 0.444 CB 1.173 26 residues pruned to eliminate duplicates Z: 12 32.214 2.219 1.112 0.875 1.000 0.455 CA 1.507 12 residues pruned to eliminate duplicates Z: 12 22.037 1.969 0.601 0.933 1.000 0.636 CB 1.471 12 residues pruned to eliminate duplicates Z: 11 16.369 1.869 0.820 0.909 0.900 0.900 CB 1.201 11 residues pruned to eliminate duplicates Z: 8 12.528 1.798 0.468 0.866 1.000 0.714 CB 1.314 8 residues pruned to eliminate duplicates Z: 13 13.984 1.736 0.736 0.840 0.917 0.750 CB 1.090 12 residues pruned to eliminate duplicates Z: 14 22.892 1.772 1.451 0.833 0.846 0.769 CB 1.296 14 residues pruned to eliminate duplicates Z: 14 12.764 1.896 0.412 0.592 0.923 0.385 CB 1.312 14 residues pruned to eliminate duplicates Z: 14 39.543 2.182 1.431 0.935 1.000 0.692 CB 1.441 14 residues pruned to eliminate duplicates Z: 45 23.758 1.970 0.937 0.511 0.773 0.477 CB 1.201 55 residues pruned to eliminate duplicates Z: 9 6.040 1.842 0.242 0.401 0.875 0.625 CB 1.184 9 residues pruned to eliminate duplicates 6 1.805 1.541 0.443 0.298 0.600 0.400 CB 0.758 ? Z: 13 30.810 2.163 1.337 0.745 1.000 0.667 CB 1.413 13 residues pruned to eliminate duplicates Z: 7 3.339 1.497 0.474 0.407 0.667 0.333 CB 1.021 7 residues pruned to eliminate duplicates Z: 64 37.964 2.056 0.919 0.504 0.841 0.524 CB 1.435 64 residues pruned to eliminate duplicates Z: 99 70.162 2.172 1.029 0.636 0.908 0.704 CB 1.559 49 residues pruned to eliminate duplicates Z: 17 20.526 1.920 0.876 0.834 0.875 0.500 CB 1.220 17 residues pruned to eliminate duplicates Z: 17 24.304 1.865 0.780 0.919 1.000 0.875 CA 1.290 17 residues pruned to eliminate duplicates Z: 7 7.521 1.680 0.954 0.656 0.667 0.333 CB 1.213 7 residues pruned to eliminate duplicates Z: 20 22.982 1.843 0.696 0.879 0.895 0.684 CA 1.367 20 residues pruned to eliminate duplicates Z: 13 5.913 1.616 0.563 0.324 0.750 0.333 CB 1.094 Z: 14 12.725 1.695 0.463 0.787 0.923 0.846 CB 1.198 14 residues pruned to eliminate duplicates Z: 8 12.666 2.015 0.169 0.880 1.000 0.857 CB 1.473 8 residues pruned to eliminate duplicates Z: 14 22.222 1.979 0.770 0.820 0.923 0.692 CB 1.444 14 residues pruned to eliminate duplicates Z: 18 20.267 1.911 0.635 0.909 0.941 0.882 CB 1.186 18 residues pruned to eliminate duplicates Z: 13 21.723 1.917 0.511 0.912 1.000 0.833 CA 1.534 13 residues pruned to eliminate duplicates Z: 8 10.286 1.937 0.607 0.559 0.857 0.429 CA 1.376 10 residues pruned to eliminate duplicates Z: 13 22.963 1.832 1.365 0.926 0.833 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 11 8.038 1.710 0.535 0.452 0.800 0.400 CB 1.271 Z: 12 4.696 1.822 0.496 0.256 0.818 0.545 CB 0.839 12 residues pruned to eliminate duplicates Z: 93 72.250 2.154 1.066 0.673 0.924 0.598 CB 1.562 96 residues pruned to eliminate duplicates Z: 13 18.251 1.811 0.845 0.907 0.833 0.333 CA 1.345 13 residues pruned to eliminate duplicates Z: 21 38.804 2.181 0.892 0.878 0.950 0.800 CA 1.606 21 residues pruned to eliminate duplicates Z: 12 14.543 1.763 0.624 0.851 0.909 0.727 CA 1.247 12 residues pruned to eliminate duplicates Z: 17 18.102 2.020 0.965 0.435 0.875 0.562 CB 1.394 17 residues pruned to eliminate duplicates Z: 11 12.742 1.700 0.692 0.816 1.000 0.600 CB 1.065 10 residues pruned to eliminate duplicates Z: 13 13.065 1.756 0.453 0.813 0.917 0.750 CA 1.228 13 residues pruned to eliminate duplicates Z: 105 69.585 2.139 1.044 0.620 0.904 0.615 CB 1.541 97 residues pruned to eliminate duplicates Z: 14 15.907 1.843 0.856 0.775 0.923 0.769 CB 1.096 14 residues pruned to eliminate duplicates Z: 19 51.357 2.271 1.357 0.910 1.000 0.722 CA 1.604 19 residues pruned to eliminate duplicates Z: 7 3.796 1.775 0.148 0.332 0.667 0.667 CA 1.371 Z: 7 3.331 1.745 0.211 0.368 0.667 0.667 CB 1.112 7 residues pruned to eliminate duplicates Z: 7 3.258 1.538 0.383 0.371 0.667 0.500 N 1.077 7 residues pruned to eliminate duplicates Z: 10 8.695 1.841 0.731 0.456 0.778 0.667 CB 1.223 Z: 31 16.770 1.780 0.717 0.525 0.900 0.500 CB 1.086 23 residues pruned to eliminate duplicates Z: 16 20.679 1.930 0.751 0.932 0.933 0.800 CA 1.182 16 residues pruned to eliminate duplicates Z: 11 17.573 2.023 0.375 0.935 1.000 1.000 CA 1.392 11 residues pruned to eliminate duplicates Z: 24 22.554 1.835 0.802 0.594 0.957 0.870 CB 1.359 25 residues pruned to eliminate duplicates Z: 15 4.321 1.529 0.695 0.357 0.786 0.571 CB 0.662 Z: 45 52.230 2.194 1.061 0.661 0.909 0.636 CB 1.650 45 residues pruned to eliminate duplicates Z: 101 64.391 2.150 1.054 0.598 0.890 0.600 CB 1.492 101 residues pruned to eliminate duplicates Z: 77 78.344 2.204 1.137 0.727 0.961 0.566 CB 1.619 77 residues pruned to eliminate duplicates Z: 14 21.197 2.057 0.767 0.813 0.923 0.769 CB 1.335 14 residues pruned to eliminate duplicates Z: 8 4.569 1.496 0.597 0.560 0.714 0.571 CA 0.955 8 residues pruned to eliminate duplicates Z: 12 15.834 1.836 0.513 0.900 1.000 0.909 CB 1.228 12 residues pruned to eliminate duplicates Z: 25 14.138 1.732 0.472 0.615 0.875 0.750 CB 1.161 25 residues pruned to eliminate duplicates Z: 15 21.692 1.905 0.929 0.945 0.857 0.429 CB 1.274 15 residues pruned to eliminate duplicates Z: 12 26.608 2.294 0.946 0.834 1.000 0.727 CA 1.346 11 residues pruned to eliminate duplicates Z: 30 32.953 2.160 1.084 0.524 0.897 0.621 CB 1.480 30 residues pruned to eliminate duplicates Z: 13 28.531 2.022 0.897 0.920 1.000 0.833 CA 1.512 13 residues pruned to eliminate duplicates Z: 11 5.587 1.584 0.727 0.344 0.600 0.500 N 1.275 11 residues pruned to eliminate duplicates Z: 17 23.713 1.826 0.834 0.853 1.000 0.438 CB 1.308 17 residues pruned to eliminate duplicates Z: 17 31.970 2.122 0.901 0.883 1.000 0.688 CB 1.432 17 residues pruned to eliminate duplicates Z: 43 35.628 2.076 0.820 0.589 0.905 0.643 CB 1.477 43 residues pruned to eliminate duplicates Z: 8 6.325 1.562 0.934 0.246 1.000 0.286 N 1.061 Z: 8 4.529 1.612 0.456 0.763 1.000 0.714 CB 0.578 8 residues pruned to eliminate duplicates Z: 44 45.025 2.166 1.154 0.602 0.860 0.535 CB 1.552 44 residues pruned to eliminate duplicates Z: 13 15.470 1.936 0.502 0.881 0.917 0.750 CA 1.214 13 residues pruned to eliminate duplicates Z: 54 49.012 2.155 0.979 0.579 0.925 0.604 CB 1.582 54 residues pruned to eliminate duplicates Z: 21 31.347 2.174 1.005 0.869 0.850 0.550 CA 1.382 21 residues pruned to eliminate duplicates Z: 11 19.482 1.918 0.816 0.868 0.900 0.700 CA 1.438 11 residues pruned to eliminate duplicates Z: 14 39.263 2.201 1.448 0.909 1.000 0.538 CB 1.435 14 residues pruned to eliminate duplicates Z: 10 15.369 1.830 0.941 0.901 1.000 0.556 CB 1.030 10 residues pruned to eliminate duplicates Z: 6 4.798 1.665 1.052 0.388 0.800 0.600 CB 0.884 Z: 13 17.606 1.814 0.759 0.834 0.917 0.667 CA 1.303 14 residues pruned to eliminate duplicates Z: 12 25.024 1.939 1.018 0.898 0.909 0.545 CA 1.517 12 residues pruned to eliminate duplicates Z: 11 17.690 2.008 0.596 0.878 0.900 0.700 CA 1.407 11 residues pruned to eliminate duplicates Z: 21 26.737 2.178 0.823 0.543 0.950 0.750 CA 1.520 21 residues pruned to eliminate duplicates Z: 13 17.600 1.773 0.716 0.888 1.000 0.583 CB 1.203 13 residues pruned to eliminate duplicates Z: 18 24.345 2.026 0.710 0.804 0.941 0.706 CA 1.388 18 residues pruned to eliminate duplicates Z: 10 16.297 1.714 0.868 0.871 1.000 1.000 CA 1.238 10 residues pruned to eliminate duplicates Z: 6 6.849 1.782 0.106 0.704 1.000 0.400 CA 1.290 6 residues pruned to eliminate duplicates Z: 14 4.273 1.618 0.702 0.145 0.615 0.385 CB 1.085 Z: 12 19.916 1.923 0.880 0.860 0.909 0.727 CB 1.343 12 residues pruned to eliminate duplicates Z: 6 2.437 1.669 0.310 0.412 0.600 0.600 CB 0.910 11 residues pruned to eliminate duplicates Z: 8 6.804 1.455 0.746 0.799 1.000 0.857 N 0.779 Z: 12 8.253 1.663 0.859 0.327 0.727 0.455 N 1.339 12 residues pruned to eliminate duplicates Z: 17 19.522 1.879 0.554 0.851 1.000 0.812 CA 1.237 17 residues pruned to eliminate duplicates Z: 13 13.307 1.706 0.493 0.829 1.000 0.917 CB 1.135 13 residues pruned to eliminate duplicates Z: 44 33.054 2.094 0.942 0.506 0.930 0.651 CB 1.324 44 residues pruned to eliminate duplicates Z: 40 28.293 2.052 0.812 0.501 0.923 0.538 CB 1.318 40 residues pruned to eliminate duplicates Z: 59 38.246 2.098 0.903 0.511 0.897 0.638 CB 1.388 59 residues pruned to eliminate duplicates Z: 20 27.989 2.147 0.912 0.845 0.842 0.526 CA 1.381 20 residues pruned to eliminate duplicates Z: 11 18.591 1.910 0.548 0.865 0.900 0.800 CB 1.618 11 residues pruned to eliminate duplicates Z: 17 23.135 1.867 1.000 0.853 0.938 0.688 CB 1.221 17 residues pruned to eliminate duplicates Z: 11 17.406 1.968 0.489 0.876 1.000 0.700 CA 1.365 11 residues pruned to eliminate duplicates Z: 13 23.010 1.879 0.816 0.919 1.000 0.500 CA 1.372 13 residues pruned to eliminate duplicates Z: 10 11.862 1.592 0.763 0.777 1.000 0.778 CA 1.103 10 residues pruned to eliminate duplicates Z: 11 31.120 2.254 1.107 0.888 1.000 0.700 CB 1.493 11 residues pruned to eliminate duplicates Z: 15 19.889 1.897 0.740 0.650 1.000 0.714 CB 1.401 15 residues pruned to eliminate duplicates Z: 18 32.785 2.107 0.961 0.862 0.941 0.765 CA 1.501 18 residues pruned to eliminate duplicates Z: 17 28.818 2.110 0.712 0.874 1.000 0.750 CA 1.452 17 residues pruned to eliminate duplicates Z: 11 23.602 2.033 1.053 0.811 0.900 0.700 CB 1.515 11 residues pruned to eliminate duplicates Z: 90 52.748 2.152 0.940 0.571 0.843 0.607 CA 1.483 90 residues pruned to eliminate duplicates Z: 6 5.977 1.778 0.537 0.387 0.800 0.800 N 1.378 Z: 37 25.663 2.067 0.694 0.490 0.889 0.583 CB 1.388 37 residues pruned to eliminate duplicates Z: 33 39.841 2.197 0.908 0.701 0.938 0.844 CA 1.492 33 residues pruned to eliminate duplicates Z: 14 23.420 1.799 1.049 0.926 1.000 0.846 CA 1.236 14 residues pruned to eliminate duplicates Z: 11 14.037 1.846 0.567 0.881 1.000 0.700 CB 1.111 11 residues pruned to eliminate duplicates Z: 6 4.863 1.564 0.856 0.450 0.800 0.400 N 0.986 Z: 17 10.732 1.713 0.365 0.513 0.875 0.625 CB 1.294 17 residues pruned to eliminate duplicates Z: 54 38.282 2.037 0.916 0.598 0.906 0.623 CB 1.354 54 residues pruned to eliminate duplicates Z: 20 17.262 1.810 0.762 0.647 0.947 0.737 CB 1.143 20 residues pruned to eliminate duplicates Z: 11 14.683 1.698 0.597 0.908 1.000 0.600 CB 1.216 11 residues pruned to eliminate duplicates Z: 20 26.186 2.129 0.640 0.654 0.947 0.737 CA 1.573 20 residues pruned to eliminate duplicates Z: 22 41.546 2.136 1.140 0.891 0.952 0.619 CA 1.497 22 residues pruned to eliminate duplicates Z: 18 10.405 1.623 0.434 0.569 0.882 0.529 CB 1.150 18 residues pruned to eliminate duplicates Z: 11 12.676 1.676 0.872 0.917 1.000 1.000 CA 0.902 11 residues pruned to eliminate duplicates Z: 60 35.436 1.910 0.869 0.532 0.966 0.678 CB 1.296 60 residues pruned to eliminate duplicates Z: 8 10.918 1.845 0.444 0.877 0.857 0.571 CB 1.313 8 residues pruned to eliminate duplicates Z: 104 70.402 2.169 0.949 0.693 0.893 0.660 CB 1.540 104 residues pruned to eliminate duplicates Z: 14 20.137 1.790 0.751 0.903 1.000 0.692 CA 1.270 14 residues pruned to eliminate duplicates Z: 125 87.549 2.206 1.026 0.655 0.960 0.694 CA 1.587 125 residues pruned to eliminate duplicates Z: 9 18.665 1.973 0.755 0.839 1.000 0.500 CB 1.424 9 residues pruned to eliminate duplicates Z: 13 21.337 1.861 1.013 0.845 1.000 0.667 CA 1.223 13 residues pruned to eliminate duplicates Z: 12 22.813 1.798 0.992 0.905 1.000 0.364 CB 1.366 12 residues pruned to eliminate duplicates Z: 11 15.539 1.856 0.530 0.902 1.000 1.000 CB 1.235 11 residues pruned to eliminate duplicates Z: 20 16.902 1.804 0.541 0.701 0.842 0.632 CB 1.379 18 residues pruned to eliminate duplicates Z: 30 37.892 2.211 1.301 0.605 0.862 0.483 CB 1.452 30 residues pruned to eliminate duplicates Z: 11 14.360 1.732 0.904 0.884 0.900 0.700 CB 1.106 11 residues pruned to eliminate duplicates Z: 6 4.552 1.758 0.284 0.644 0.800 0.600 CB 0.985 Z: 7 6.938 1.542 0.654 0.641 0.833 0.667 CA 1.168 9 residues pruned to eliminate duplicates Z: 15 9.782 1.686 0.498 0.536 0.929 0.643 CB 1.076 Z: 12 19.442 2.146 0.650 0.821 1.000 0.727 CA 1.253 12 residues pruned to eliminate duplicates Z: 9 3.312 1.555 0.316 0.324 0.750 0.625 CB 0.926 Z: 52 31.949 1.932 0.761 0.595 0.941 0.647 CB 1.276 52 residues pruned to eliminate duplicates Z: 10 6.429 1.605 0.376 0.349 1.000 0.556 CB 1.143 8 1.601 1.403 0.211 0.365 0.714 0.286 CB 0.576 ? Z: 10 13.589 1.859 0.344 0.786 0.889 0.667 CB 1.587 10 residues pruned to eliminate duplicates Z: 15 21.151 2.044 0.759 0.811 0.929 0.500 CB 1.292 15 residues pruned to eliminate duplicates Z: 33 31.561 2.082 0.886 0.648 0.906 0.469 CB 1.366 33 residues pruned to eliminate duplicates Z: 10 11.564 1.713 0.186 0.842 1.000 0.667 CB 1.414 10 residues pruned to eliminate duplicates Z: 73 68.934 2.186 1.048 0.644 0.972 0.667 CB 1.632 73 residues pruned to eliminate duplicates Z: 6 2.991 1.782 0.180 0.517 0.800 0.400 CB 0.781 Z: 12 13.681 1.721 0.695 0.813 1.000 0.818 CA 1.077 12 residues pruned to eliminate duplicates Z: 9 17.808 1.974 0.592 0.906 1.000 0.625 CB 1.425 9 residues pruned to eliminate duplicates Z: 41 37.528 2.071 1.023 0.589 0.950 0.525 CB 1.369 41 residues pruned to eliminate duplicates Z: 64 47.463 2.152 0.906 0.524 0.937 0.524 CB 1.520 78 residues pruned to eliminate duplicates Z: 15 18.222 1.916 0.729 0.824 0.929 0.786 CB 1.195 15 residues pruned to eliminate duplicates Z: 39 28.893 2.027 1.100 0.535 0.789 0.526 CB 1.347 39 residues pruned to eliminate duplicates Z: 10 12.314 1.846 1.327 0.749 0.778 0.667 CB 0.984 10 residues pruned to eliminate duplicates Z: 11 13.221 1.659 0.583 0.899 1.000 0.500 CB 1.138 11 residues pruned to eliminate duplicates Z: 12 14.103 1.919 0.338 0.881 1.000 0.818 CA 1.200 12 residues pruned to eliminate duplicates Z: 21 15.887 1.920 0.927 0.307 1.000 0.600 CB 1.190 21 residues pruned to eliminate duplicates Z: 14 6.554 1.804 0.604 0.204 0.769 0.538 CB 1.161 4 residues pruned to eliminate duplicates Z: 69 47.419 2.091 0.979 0.525 0.926 0.588 CB 1.463 66 residues pruned to eliminate duplicates Z: 13 16.877 1.827 0.923 0.868 0.917 0.667 CB 1.106 13 residues pruned to eliminate duplicates Z: 10 11.922 1.632 0.557 0.873 1.000 0.889 CB 1.139 10 residues pruned to eliminate duplicates Z: 9 9.136 1.900 -0.012 0.804 0.875 0.375 CB 1.508 9 residues pruned to eliminate duplicates Z: 7 7.889 1.734 0.850 0.711 0.833 0.500 CB 0.994 7 residues pruned to eliminate duplicates Z: 19 44.432 2.279 1.189 0.872 1.000 0.667 CA 1.530 19 residues pruned to eliminate duplicates Z: 18 22.149 1.851 0.685 0.920 0.941 0.824 CA 1.288 18 residues pruned to eliminate duplicates Z: 9 20.809 1.881 0.722 0.870 1.000 0.750 CB 1.658 9 residues pruned to eliminate duplicates Z: 11 3.692 1.569 0.367 0.296 0.700 0.600 CB 0.977 12 residues pruned to eliminate duplicates Z: 13 20.759 1.719 0.995 0.855 1.000 0.667 CA 1.289 13 residues pruned to eliminate duplicates Z: 22 24.015 1.971 0.672 0.778 0.952 0.571 CA 1.306 22 residues pruned to eliminate duplicates Z: 17 38.817 2.253 1.436 0.857 0.938 0.312 CB 1.390 17 residues pruned to eliminate duplicates Z: 25 26.882 2.052 0.525 0.734 0.958 0.792 CB 1.483 25 residues pruned to eliminate duplicates Z: 54 19.507 1.834 0.598 0.444 0.849 0.434 CB 1.141 54 residues pruned to eliminate duplicates Z: 43 29.629 2.092 0.763 0.457 0.929 0.619 CB 1.395 43 residues pruned to eliminate duplicates Z: 25 22.366 2.196 0.632 0.529 0.917 0.625 CA 1.351 25 residues pruned to eliminate duplicates Z: 13 12.613 2.101 0.320 0.549 0.917 0.833 CB 1.366 13 residues pruned to eliminate duplicates Z: 13 24.401 1.797 1.032 0.913 1.000 0.583 CA 1.365 13 residues pruned to eliminate duplicates Z: 36 20.671 1.885 0.535 0.548 0.886 0.657 CB 1.301 36 residues pruned to eliminate duplicates Z: 9 17.220 1.901 0.581 0.844 1.000 0.750 CA 1.508 9 residues pruned to eliminate duplicates Z: 51 27.400 1.910 0.673 0.473 0.940 0.620 CB 1.326 65 residues pruned to eliminate duplicates Z: 13 12.123 1.746 0.980 0.491 0.750 0.500 CA 1.362 45 residues pruned to eliminate duplicates Z: 17 14.366 1.871 0.727 0.553 0.938 0.688 CB 1.126 17 residues pruned to eliminate duplicates Z: 6 5.169 1.754 0.941 0.304 0.600 0.400 CA 1.407 Z: 14 36.634 2.210 1.363 0.909 0.923 0.692 CA 1.497 14 residues pruned to eliminate duplicates Z: 13 9.177 1.658 0.411 0.623 0.750 0.583 N 1.344 13 residues pruned to eliminate duplicates Z: 6 4.078 1.587 0.266 0.550 0.800 0.600 CB 1.080 Z: 24 21.477 1.969 0.844 0.531 0.870 0.478 CB 1.376 24 residues pruned to eliminate duplicates Z: 131 64.199 2.103 0.913 0.605 0.862 0.623 CB 1.470 131 residues pruned to eliminate duplicates Z: 9 5.414 1.522 0.487 0.380 0.750 0.500 CB 1.282 9 residues pruned to eliminate duplicates Z: 13 18.522 1.844 0.825 0.890 1.000 0.583 CB 1.143 13 residues pruned to eliminate duplicates Z: 52 35.958 2.080 0.839 0.509 0.941 0.549 CB 1.386 52 residues pruned to eliminate duplicates Z: 11 15.415 2.052 0.511 0.763 0.900 0.800 CA 1.383 11 residues pruned to eliminate duplicates Z: 12 20.499 1.894 0.905 0.884 0.909 0.727 CA 1.361 12 residues pruned to eliminate duplicates Z: 10 9.034 1.808 1.176 0.378 0.778 0.667 CB 1.121 10 residues pruned to eliminate duplicates Z: 13 21.662 1.982 0.921 0.824 0.917 0.750 CB 1.353 12 residues pruned to eliminate duplicates Z: 14 39.863 2.264 1.428 0.919 1.000 0.538 CB 1.418 9 residues pruned to eliminate duplicates 6 1.563 1.587 0.166 0.300 0.400 0.400 CA 1.181 ? Z: 8 7.310 1.565 0.143 0.782 1.000 0.286 CB 1.205 6 residues pruned to eliminate duplicates Z: 37 34.174 2.076 1.138 0.550 0.861 0.361 CA 1.419 37 residues pruned to eliminate duplicates Z: 6 2.409 1.345 0.697 0.456 0.600 0.600 CB 0.823 Z: 11 18.326 2.011 0.647 0.873 1.000 0.700 CA 1.274 11 residues pruned to eliminate duplicates Z: 15 10.618 1.814 0.682 0.359 1.000 0.714 CB 1.082 8 residues pruned to eliminate duplicates Z: 31 28.506 2.099 1.074 0.531 0.800 0.500 CB 1.449 31 residues pruned to eliminate duplicates Z: 8 5.062 1.546 0.666 0.364 0.857 0.286 N 1.003 Z: 13 9.030 1.723 0.394 0.456 0.917 0.583 CA 1.239 13 residues pruned to eliminate duplicates Z: 112 81.005 2.200 1.015 0.684 0.937 0.640 CA 1.564 112 residues pruned to eliminate duplicates Z: 16 14.445 1.937 1.022 0.427 0.733 0.200 CA 1.400 16 residues pruned to eliminate duplicates Z: 66 58.861 2.173 0.935 0.689 0.938 0.631 CA 1.556 66 residues pruned to eliminate duplicates Z: 8 2.149 1.453 0.235 0.288 0.571 0.429 CB 1.005 8 residues pruned to eliminate duplicates Z: 12 11.531 1.696 0.423 0.693 0.909 0.545 CA 1.328 12 residues pruned to eliminate duplicates Z: 17 15.981 1.787 0.503 0.890 0.938 0.875 CA 1.141 17 residues pruned to eliminate duplicates Z: 14 18.546 1.691 0.758 0.875 1.000 0.846 CA 1.259 13 residues pruned to eliminate duplicates Z: 12 24.348 2.069 1.266 0.524 1.000 0.636 CB 1.529 12 residues pruned to eliminate duplicates 6 1.809 1.643 0.149 0.312 0.600 0.600 CB 0.880 ? Z: 14 18.316 1.782 1.059 0.781 0.846 0.462 CB 1.277 14 residues pruned to eliminate duplicates Z: 30 33.907 2.169 0.986 0.549 0.897 0.793 CA 1.555 30 residues pruned to eliminate duplicates Z: 33 30.184 2.038 1.025 0.515 0.844 0.438 CB 1.509 33 residues pruned to eliminate duplicates Z: 13 18.633 1.797 0.960 0.884 1.000 0.500 CB 1.103 13 residues pruned to eliminate duplicates Z: 13 30.655 2.107 1.163 0.927 1.000 0.833 CA 1.361 13 residues pruned to eliminate duplicates Z: 12 21.173 1.861 1.140 0.926 1.000 0.818 CB 1.124 12 residues pruned to eliminate duplicates Z: 10 17.958 1.780 0.704 0.901 1.000 1.000 CA 1.409 10 residues pruned to eliminate duplicates Z: 12 10.760 1.846 0.709 0.407 0.818 0.636 CB 1.386 12 residues pruned to eliminate duplicates Z: 7 5.171 1.632 0.707 0.405 0.833 0.500 N 1.004 Z: 10 10.166 1.654 0.501 0.851 1.000 0.889 CB 1.010 10 residues pruned to eliminate duplicates Z: 51 41.954 2.048 1.032 0.661 0.820 0.480 CB 1.498 51 residues pruned to eliminate duplicates Z: 9 15.552 1.885 0.551 0.844 0.875 0.625 CB 1.600 9 residues pruned to eliminate duplicates Z: 6 2.200 1.580 -0.029 0.397 0.600 0.600 CA 1.191 6 residues pruned to eliminate duplicates Z: 8 11.720 1.856 0.877 0.698 0.857 0.857 CB 1.238 8 residues pruned to eliminate duplicates Z: 11 18.885 1.854 0.760 0.833 1.000 0.600 CA 1.372 11 residues pruned to eliminate duplicates Z: 35 21.484 1.987 0.880 0.440 0.824 0.382 CB 1.274 35 residues pruned to eliminate duplicates Z: 114 70.100 2.179 1.043 0.610 0.885 0.619 CA 1.509 114 residues pruned to eliminate duplicates Z: 12 20.373 2.008 1.210 0.849 0.818 0.636 CA 1.254 Z: 12 17.370 1.796 0.846 0.859 0.909 0.545 CB 1.279 12 residues pruned to eliminate duplicates Z: 16 24.116 1.942 0.931 0.923 0.867 0.600 CA 1.347 16 residues pruned to eliminate duplicates Z: 17 52.711 2.340 1.544 0.855 1.000 0.750 CB 1.634 27 residues pruned to eliminate duplicates Z: 15 4.585 1.572 0.322 0.271 0.857 0.286 CB 0.893 30 residues pruned to eliminate duplicates Z: 22 28.127 2.114 0.845 0.631 0.952 0.667 CB 1.462 22 residues pruned to eliminate duplicates Z: 69 64.819 2.163 1.006 0.724 0.956 0.735 CB 1.548 69 residues pruned to eliminate duplicates Z: 12 20.807 2.060 0.817 0.849 0.909 0.818 CA 1.367 12 residues pruned to eliminate duplicates Z: 28 15.107 1.743 0.781 0.455 0.852 0.519 CB 1.151 46 residues pruned to eliminate duplicates 6 1.203 1.639 -0.535 0.433 0.800 0.600 N 0.945 ? Z: 13 3.406 1.533 0.239 0.347 0.750 0.667 CB 0.816 13 residues pruned to eliminate duplicates Z: 42 36.621 2.153 1.007 0.514 0.854 0.610 CB 1.529 42 residues pruned to eliminate duplicates Z: 9 13.801 1.730 0.668 0.928 1.000 1.000 CB 1.184 9 residues pruned to eliminate duplicates Z: 6 11.752 1.795 0.905 0.678 1.000 0.600 CA 1.305 6 residues pruned to eliminate duplicates Z: 13 18.382 1.753 0.975 0.889 0.917 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 18 28.343 2.130 0.864 0.809 0.941 0.765 CA 1.406 18 residues pruned to eliminate duplicates Z: 10 18.146 1.826 1.213 0.910 0.889 0.333 CA 1.194 10 residues pruned to eliminate duplicates Z: 39 39.404 2.185 0.845 0.569 0.974 0.579 CB 1.524 39 residues pruned to eliminate duplicates Z: 7 7.230 1.834 0.684 0.428 0.833 0.667 N 1.236 7 residues pruned to eliminate duplicates Z: 11 9.133 1.962 0.207 0.778 1.000 1.000 CA 0.954 11 residues pruned to eliminate duplicates Z: 29 22.788 1.878 0.872 0.609 0.893 0.643 CB 1.237 24 residues pruned to eliminate duplicates Z: 6 3.860 1.345 0.484 0.560 0.800 0.600 C 1.019 Z: 138 72.294 2.097 1.012 0.627 0.912 0.569 CB 1.424 112 residues pruned to eliminate duplicates 6 1.827 1.347 0.392 0.299 0.800 0.600 CB 0.682 ? Z: 6 6.385 1.721 0.692 0.681 0.800 0.400 CA 1.038 6 residues pruned to eliminate duplicates Z: 11 3.249 1.452 0.181 0.296 0.900 0.600 CB 0.836 Z: 21 27.734 2.155 0.542 0.873 0.950 0.850 CA 1.431 21 residues pruned to eliminate duplicates Z: 12 21.185 1.903 0.692 0.859 1.000 0.909 CB 1.459 12 residues pruned to eliminate duplicates Z: 79 53.508 2.114 0.910 0.625 0.923 0.603 CB 1.444 79 residues pruned to eliminate duplicates Z: 21 35.450 2.119 0.952 0.858 0.950 0.700 CA 1.486 21 residues pruned to eliminate duplicates Z: 8 8.958 1.695 0.472 0.587 1.000 0.857 CA 1.249 8 residues pruned to eliminate duplicates Z: 12 33.471 2.123 1.299 0.896 0.909 0.636 CA 1.629 12 residues pruned to eliminate duplicates Z: 17 23.779 1.895 1.011 0.891 0.938 0.375 CB 1.197 17 residues pruned to eliminate duplicates Z: 11 6.759 1.661 0.975 0.313 0.800 0.400 CB 1.002 Z: 10 12.908 1.733 0.847 0.805 0.778 0.444 CB 1.324 9 residues pruned to eliminate duplicates Z: 36 31.465 2.057 0.829 0.655 0.886 0.600 CB 1.382 36 residues pruned to eliminate duplicates Z: 6 6.052 1.817 0.805 0.625 1.000 0.400 CB 0.734 6 residues pruned to eliminate duplicates Z: 36 36.526 2.203 1.128 0.519 0.857 0.629 CB 1.508 36 residues pruned to eliminate duplicates Z: 65 30.066 1.905 0.805 0.550 0.844 0.547 CB 1.233 65 residues pruned to eliminate duplicates Z: 6 2.983 1.380 0.846 0.389 0.800 0.400 CB 0.736 6 residues pruned to eliminate duplicates Z: 17 10.159 1.776 0.785 0.280 0.875 0.562 CB 1.174 17 residues pruned to eliminate duplicates Z: 9 14.863 1.764 0.837 0.885 1.000 0.875 CA 1.170 9 residues pruned to eliminate duplicates Z: 17 21.924 1.901 0.835 0.826 0.938 0.562 CB 1.264 17 residues pruned to eliminate duplicates Z: 11 23.183 2.177 0.759 0.939 1.000 1.000 CA 1.331 11 residues pruned to eliminate duplicates Z: 8 2.845 1.732 0.003 0.496 0.857 0.429 CB 0.725 Z: 16 21.010 1.950 1.410 0.567 0.800 0.600 CA 1.353 16 residues pruned to eliminate duplicates Z: 12 20.456 1.929 1.102 0.874 0.818 0.818 CA 1.352 12 residues pruned to eliminate duplicates Z: 11 14.266 1.629 0.586 0.920 1.000 0.900 CB 1.229 11 residues pruned to eliminate duplicates Z: 10 3.947 1.495 0.496 0.242 0.667 0.444 N 1.190 Z: 33 25.806 2.036 1.081 0.568 0.750 0.531 CB 1.344 33 residues pruned to eliminate duplicates Z: 12 15.424 1.829 0.581 0.913 1.000 0.909 CB 1.138 12 residues pruned to eliminate duplicates Z: 20 19.779 2.137 0.556 0.575 0.895 0.684 CA 1.419 20 residues pruned to eliminate duplicates Z: 6 2.666 1.222 0.243 0.787 0.800 0.600 C 0.762 Z: 11 14.279 1.674 0.764 0.870 0.900 0.700 CB 1.240 11 residues pruned to eliminate duplicates Z: 9 3.435 1.358 0.211 0.358 0.750 0.500 O 1.147 9 residues pruned to eliminate duplicates Z: 73 54.846 2.022 1.040 0.651 0.944 0.556 CB 1.442 73 residues pruned to eliminate duplicates Z: 18 16.704 1.888 1.164 0.496 0.765 0.529 CA 1.302 18 residues pruned to eliminate duplicates Z: 10 6.985 1.702 0.136 0.726 0.778 0.444 N 1.264 10 residues pruned to eliminate duplicates Z: 14 16.899 2.170 1.426 0.493 0.692 0.385 CA 1.295 14 residues pruned to eliminate duplicates Z: 13 17.583 1.863 0.914 0.834 0.833 0.667 CB 1.281 13 residues pruned to eliminate duplicates 773 residues left after pruning, divided into chains as follows: A: 6 B: 14 C: 196 D: 130 E: 28 F: 33 G: 12 H: 136 I: 173 J: 6 K: 39 CC for partial structure against native data = 40.69 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.570, Connect. = 0.725 for dens.mod. cycle 1 = 0.300, Contrast = 0.659, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.801, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.820, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.837, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.842, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.847, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.848, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.849, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.849, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4007 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 956 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 29.210 2.329 1.081 0.769 0.900 0.600 CB 1.668 B: 14 38.319 2.298 1.224 0.828 0.923 0.769 CB 1.697 C: 17 46.160 2.416 1.226 0.870 0.938 0.875 CB 1.670 11 residues pruned to eliminate duplicates D: 14 25.843 2.175 0.942 0.849 0.846 0.846 CA 1.487 E: 81 63.569 2.265 0.940 0.624 0.900 0.562 CA 1.598 F: 14 37.082 2.285 0.982 0.867 1.000 0.769 CA 1.661 14 residues pruned to eliminate duplicates G: 15 48.478 2.372 1.322 0.916 1.000 1.000 CA 1.661 H: 20 36.136 2.179 1.115 0.800 0.895 0.684 CB 1.546 20 residues pruned to eliminate duplicates I: 15 37.045 2.173 1.050 0.914 1.000 0.714 CB 1.573 J: 19 42.328 2.368 1.074 0.837 0.889 0.667 CA 1.709 K: 44 32.001 2.098 0.790 0.465 0.930 0.558 CB 1.448 L: 11 30.829 2.536 0.677 0.872 0.900 0.800 CA 1.857 11 residues pruned to eliminate duplicates M: 13 29.189 2.114 1.109 0.908 0.833 0.667 CB 1.611 13 residues pruned to eliminate duplicates N: 14 40.395 2.391 1.293 0.896 1.000 0.769 CB 1.464 14 residues pruned to eliminate duplicates O: 12 28.330 2.304 0.804 0.866 0.909 0.818 CB 1.654 12 residues pruned to eliminate duplicates P: 30 37.020 2.365 1.118 0.570 0.793 0.448 CB 1.618 30 residues pruned to eliminate duplicates Q: 23 44.309 2.206 1.149 0.829 0.909 0.636 CB 1.650 R: 14 34.959 2.281 0.969 0.846 1.000 0.769 CA 1.605 14 residues pruned to eliminate duplicates S: 19 35.499 2.217 0.937 0.851 0.944 0.722 CB 1.527 19 residues pruned to eliminate duplicates T: 19 44.289 2.401 1.213 0.864 0.889 0.556 CA 1.621 19 residues pruned to eliminate duplicates U: 14 32.412 2.274 0.713 0.877 1.000 0.923 CA 1.677 14 residues pruned to eliminate duplicates V: 45 34.769 2.172 0.859 0.570 0.864 0.614 CB 1.404 45 residues pruned to eliminate duplicates W: 15 23.192 2.103 0.698 0.777 0.929 0.714 CA 1.463 14 residues pruned to eliminate duplicates X: 8 19.719 2.150 1.157 0.817 0.857 0.571 CB 1.424 8 residues pruned to eliminate duplicates Y: 18 44.738 2.348 1.304 0.865 0.941 0.765 CB 1.561 18 residues pruned to eliminate duplicates Z: 12 34.081 2.155 1.189 0.860 0.909 0.636 CA 1.762 Z: 15 28.172 2.223 0.806 0.840 0.929 0.714 CB 1.508 15 residues pruned to eliminate duplicates Z: 13 22.021 2.247 0.477 0.840 1.000 0.833 CB 1.429 Z: 15 28.671 2.126 0.945 0.799 1.000 0.714 CA 1.426 Z: 15 32.439 2.307 0.695 0.936 1.000 0.929 CA 1.544 15 residues pruned to eliminate duplicates Z: 15 28.790 2.182 0.801 0.808 0.929 0.857 CA 1.612 15 residues pruned to eliminate duplicates Z: 12 32.167 2.333 0.946 0.905 0.818 0.727 CB 1.859 13 residues pruned to eliminate duplicates Z: 14 26.594 2.268 0.693 0.781 0.923 0.615 CB 1.624 15 residues pruned to eliminate duplicates Z: 13 38.542 2.215 1.036 0.907 1.000 0.917 CA 1.753 12 residues pruned to eliminate duplicates Z: 15 36.708 2.322 0.887 0.930 1.000 1.000 CA 1.566 15 residues pruned to eliminate duplicates Z: 12 22.365 2.257 0.648 0.867 1.000 0.818 CA 1.326 12 residues pruned to eliminate duplicates Z: 14 30.761 2.301 1.048 0.792 0.846 0.538 CA 1.656 14 residues pruned to eliminate duplicates Z: 19 38.274 2.306 0.860 0.816 1.000 0.722 CA 1.598 19 residues pruned to eliminate duplicates Z: 18 36.360 2.238 0.764 0.828 1.000 0.647 CB 1.682 Z: 13 24.552 2.048 0.910 0.874 0.833 0.667 CA 1.583 13 residues pruned to eliminate duplicates Z: 20 46.626 2.299 1.030 0.862 1.000 0.421 CA 1.684 19 residues pruned to eliminate duplicates Z: 14 36.453 2.425 0.852 0.925 1.000 1.000 CB 1.580 14 residues pruned to eliminate duplicates Z: 13 38.127 2.394 1.157 0.864 0.917 0.917 CA 1.704 13 residues pruned to eliminate duplicates Z: 13 27.144 2.130 0.705 0.865 1.000 0.917 CA 1.581 Z: 8 8.565 1.790 0.185 0.773 0.857 0.714 CB 1.399 8 residues pruned to eliminate duplicates Z: 20 23.102 2.070 0.254 0.857 1.000 0.842 CA 1.504 Z: 11 43.695 2.536 1.005 0.916 1.000 0.900 CB 1.919 23 residues pruned to eliminate duplicates Z: 11 32.719 2.198 1.260 0.897 1.000 0.800 CB 1.491 11 residues pruned to eliminate duplicates Z: 12 30.726 2.255 0.913 0.889 0.909 0.727 CB 1.701 12 residues pruned to eliminate duplicates Z: 21 17.975 2.200 0.889 0.407 0.750 0.500 CA 1.422 21 residues pruned to eliminate duplicates Z: 201 91.511 2.218 0.844 0.582 0.910 0.565 CB 1.607 129 residues pruned to eliminate duplicates Z: 22 31.416 2.105 0.738 0.856 0.905 0.667 CA 1.528 22 residues pruned to eliminate duplicates Z: 18 34.564 2.193 0.784 0.896 0.941 0.824 CA 1.630 18 residues pruned to eliminate duplicates Z: 12 22.585 2.130 0.741 0.841 0.909 0.727 CA 1.506 Z: 12 28.950 2.262 0.869 0.902 0.909 0.364 CB 1.620 12 residues pruned to eliminate duplicates Z: 19 30.093 2.173 0.885 0.748 0.889 0.778 CA 1.561 19 residues pruned to eliminate duplicates Z: 13 20.614 2.225 0.830 0.808 0.917 0.583 CB 1.219 13 residues pruned to eliminate duplicates Z: 12 37.634 2.395 1.091 0.918 0.909 0.636 CA 1.757 12 residues pruned to eliminate duplicates Z: 13 34.726 2.251 0.930 0.889 0.917 0.667 CA 1.813 13 residues pruned to eliminate duplicates Z: 14 29.772 2.146 0.964 0.858 1.000 0.846 CA 1.442 Z: 13 48.866 2.459 1.516 0.901 1.000 0.917 CB 1.627 14 residues pruned to eliminate duplicates Z: 15 25.715 2.175 0.665 0.826 0.929 0.786 CA 1.541 15 residues pruned to eliminate duplicates Z: 13 18.326 2.054 0.511 0.874 1.000 0.750 CB 1.241 Z: 12 33.469 2.479 0.789 0.823 1.000 0.636 CA 1.719 12 residues pruned to eliminate duplicates Z: 14 22.116 2.226 0.407 0.847 0.923 0.615 CB 1.575 14 residues pruned to eliminate duplicates Z: 10 38.392 2.233 1.405 0.896 1.000 0.444 CA 1.707 10 residues pruned to eliminate duplicates Z: 10 19.210 2.453 0.352 0.901 0.778 0.667 CB 1.772 10 residues pruned to eliminate duplicates Z: 17 25.289 2.204 0.652 0.882 1.000 0.938 CA 1.256 17 residues pruned to eliminate duplicates Z: 14 18.402 2.007 0.389 0.897 1.000 0.769 CB 1.310 13 residues pruned to eliminate duplicates Z: 12 16.237 2.270 0.121 0.864 1.000 0.818 CA 1.411 12 residues pruned to eliminate duplicates Z: 57 48.531 2.255 0.825 0.554 0.946 0.679 CA 1.580 46 residues pruned to eliminate duplicates Z: 57 37.356 2.123 0.766 0.520 0.875 0.571 CB 1.492 14 residues pruned to eliminate duplicates Z: 6 6.670 1.896 0.106 0.703 0.800 0.800 CA 1.479 6 residues pruned to eliminate duplicates Z: 13 22.655 2.009 0.895 0.876 0.833 0.750 CB 1.498 13 residues pruned to eliminate duplicates Z: 20 37.610 2.334 0.943 0.877 0.947 0.684 CA 1.459 20 residues pruned to eliminate duplicates Z: 11 16.339 1.863 0.490 0.819 1.000 0.800 CA 1.412 Z: 14 37.074 2.184 1.158 0.863 1.000 0.692 CA 1.601 14 residues pruned to eliminate duplicates Z: 13 25.142 2.061 0.827 0.863 0.917 0.667 CB 1.544 13 residues pruned to eliminate duplicates Z: 14 34.349 2.249 1.010 0.808 1.000 0.769 CB 1.612 14 residues pruned to eliminate duplicates Z: 12 26.579 2.329 0.664 0.863 0.909 0.636 CB 1.670 12 residues pruned to eliminate duplicates Z: 19 39.801 2.303 0.952 0.866 0.944 0.722 CB 1.617 19 residues pruned to eliminate duplicates Z: 16 29.278 2.111 1.068 0.784 0.933 0.600 CB 1.445 15 residues pruned to eliminate duplicates Z: 18 36.786 2.197 0.897 0.870 0.941 0.588 CB 1.659 18 residues pruned to eliminate duplicates Z: 14 19.731 2.150 0.298 0.811 0.923 0.923 CB 1.620 14 residues pruned to eliminate duplicates Z: 13 24.221 2.078 0.720 0.878 0.917 0.667 CB 1.548 12 residues pruned to eliminate duplicates Z: 22 48.648 2.271 1.022 0.874 1.000 0.810 CB 1.682 23 residues pruned to eliminate duplicates Z: 19 35.441 2.281 0.856 0.833 1.000 0.778 CA 1.480 19 residues pruned to eliminate duplicates Z: 11 31.702 2.347 0.801 0.912 1.000 1.000 CA 1.679 11 residues pruned to eliminate duplicates Z: 13 30.465 2.306 1.010 0.883 0.917 0.667 CA 1.497 13 residues pruned to eliminate duplicates Z: 12 25.659 2.211 0.849 0.890 0.909 0.909 CB 1.499 12 residues pruned to eliminate duplicates Z: 11 29.520 2.371 1.039 0.895 0.900 0.800 CB 1.538 11 residues pruned to eliminate duplicates Z: 15 27.545 2.168 1.008 0.835 0.857 0.786 CA 1.478 15 residues pruned to eliminate duplicates Z: 17 22.654 1.956 0.829 0.729 0.938 0.688 CA 1.374 17 residues pruned to eliminate duplicates Z: 19 35.367 2.169 0.964 0.877 0.944 0.778 CB 1.504 19 residues pruned to eliminate duplicates Z: 13 28.430 2.214 0.675 0.821 1.000 0.750 CA 1.676 13 residues pruned to eliminate duplicates Z: 10 25.619 2.364 0.842 0.906 0.889 0.778 CB 1.569 10 residues pruned to eliminate duplicates Z: 93 69.265 2.271 0.905 0.641 0.913 0.587 CB 1.602 62 residues pruned to eliminate duplicates Z: 14 29.346 2.247 0.908 0.803 0.923 0.615 CB 1.578 16 residues pruned to eliminate duplicates Z: 11 30.966 2.272 0.991 0.912 0.900 0.400 CB 1.704 11 residues pruned to eliminate duplicates Z: 20 28.056 2.080 0.547 0.799 1.000 0.842 CA 1.539 19 residues pruned to eliminate duplicates Z: 14 28.071 2.197 0.977 0.795 0.846 0.692 CA 1.637 14 residues pruned to eliminate duplicates Z: 13 32.013 2.250 0.856 0.903 1.000 0.917 CA 1.578 13 residues pruned to eliminate duplicates Z: 43 41.063 2.178 0.819 0.577 0.976 0.738 CB 1.521 24 residues pruned to eliminate duplicates Z: 22 25.083 2.172 0.654 0.859 0.857 0.810 CA 1.308 22 residues pruned to eliminate duplicates Z: 67 45.863 2.208 0.615 0.520 0.985 0.742 CA 1.575 58 residues pruned to eliminate duplicates Z: 23 37.180 2.071 1.192 0.829 0.864 0.409 CA 1.521 23 residues pruned to eliminate duplicates Z: 22 38.841 2.200 0.982 0.882 0.905 0.667 CA 1.554 22 residues pruned to eliminate duplicates Z: 14 36.508 2.284 1.215 0.888 0.923 0.846 CB 1.562 14 residues pruned to eliminate duplicates Z: 22 31.509 2.124 0.799 0.840 0.952 0.619 CA 1.410 22 residues pruned to eliminate duplicates Z: 21 36.526 2.209 0.749 0.853 1.000 0.550 CB 1.561 21 residues pruned to eliminate duplicates Z: 13 38.595 2.333 1.035 0.897 1.000 0.750 CA 1.680 13 residues pruned to eliminate duplicates Z: 20 53.789 2.289 1.239 0.882 1.000 0.526 CA 1.742 21 residues pruned to eliminate duplicates Z: 11 20.999 2.320 0.352 0.857 1.000 1.000 CA 1.560 11 residues pruned to eliminate duplicates Z: 130 86.586 2.275 0.947 0.652 0.922 0.659 CA 1.619 133 residues pruned to eliminate duplicates Z: 18 36.945 2.253 0.771 0.890 1.000 0.824 CA 1.616 19 residues pruned to eliminate duplicates Z: 13 27.599 2.251 1.088 0.798 0.917 0.583 CA 1.424 13 residues pruned to eliminate duplicates Z: 19 38.926 2.146 1.055 0.887 0.944 0.833 CA 1.588 19 residues pruned to eliminate duplicates Z: 15 25.572 2.204 0.685 0.756 0.929 0.786 CA 1.578 15 residues pruned to eliminate duplicates Z: 14 24.166 2.275 0.596 0.814 0.923 0.769 CA 1.522 14 residues pruned to eliminate duplicates Z: 22 41.499 2.218 0.850 0.865 1.000 0.667 CA 1.617 22 residues pruned to eliminate duplicates Z: 21 29.767 2.217 0.575 0.862 0.950 0.750 CA 1.474 21 residues pruned to eliminate duplicates Z: 12 21.555 2.024 0.666 0.919 1.000 0.818 CA 1.358 12 residues pruned to eliminate duplicates Z: 10 15.383 1.882 0.470 0.884 1.000 0.778 CB 1.339 10 residues pruned to eliminate duplicates Z: 21 36.382 2.250 0.775 0.876 0.950 0.850 CA 1.559 21 residues pruned to eliminate duplicates Z: 82 64.015 2.229 0.967 0.603 0.926 0.543 CA 1.589 82 residues pruned to eliminate duplicates Z: 13 23.319 2.102 0.698 0.895 0.917 0.833 CA 1.476 13 residues pruned to eliminate duplicates Z: 14 28.866 2.041 1.017 0.909 0.846 0.692 CB 1.631 14 residues pruned to eliminate duplicates Z: 21 25.344 1.877 0.523 0.888 1.000 0.700 CB 1.428 Z: 123 67.748 2.199 0.825 0.646 0.844 0.623 CA 1.580 123 residues pruned to eliminate duplicates Z: 14 32.718 2.165 1.192 0.906 0.923 0.692 CB 1.473 14 residues pruned to eliminate duplicates Z: 11 38.824 2.460 0.974 0.906 1.000 0.700 CB 1.798 11 residues pruned to eliminate duplicates Z: 13 26.084 2.279 0.693 0.897 0.917 0.833 CA 1.524 13 residues pruned to eliminate duplicates Z: 12 27.744 2.077 0.874 0.901 1.000 0.636 CA 1.534 12 residues pruned to eliminate duplicates Z: 22 21.902 2.272 0.686 0.581 0.714 0.476 CB 1.616 22 residues pruned to eliminate duplicates Z: 23 15.727 1.917 0.602 0.432 0.864 0.455 CB 1.357 23 residues pruned to eliminate duplicates Z: 14 8.373 1.722 0.704 0.418 0.846 0.769 CB 1.019 Z: 14 21.680 2.148 0.375 0.830 1.000 0.846 CB 1.531 14 residues pruned to eliminate duplicates Z: 15 36.969 2.291 0.986 0.911 1.000 0.786 CA 1.539 15 residues pruned to eliminate duplicates Z: 15 32.031 2.058 0.964 0.836 1.000 0.929 CA 1.585 15 residues pruned to eliminate duplicates Z: 6 11.533 2.094 0.607 0.615 0.800 0.800 CB 1.719 6 residues pruned to eliminate duplicates Z: 14 42.129 2.283 1.211 0.907 1.000 0.846 CB 1.645 14 residues pruned to eliminate duplicates Z: 20 30.478 2.342 0.620 0.874 0.947 0.789 CA 1.415 20 residues pruned to eliminate duplicates Z: 13 37.319 2.291 1.070 0.885 1.000 0.917 CA 1.640 13 residues pruned to eliminate duplicates Z: 14 27.220 2.235 0.608 0.800 1.000 0.846 CA 1.616 14 residues pruned to eliminate duplicates Z: 15 24.149 2.190 0.718 0.751 0.929 0.714 CA 1.477 15 residues pruned to eliminate duplicates Z: 15 29.784 2.172 1.014 0.778 0.929 0.429 CB 1.533 14 residues pruned to eliminate duplicates Z: 21 33.470 2.234 0.719 0.867 1.000 0.800 CA 1.426 21 residues pruned to eliminate duplicates Z: 13 28.370 2.153 0.901 0.844 1.000 0.750 CA 1.488 13 residues pruned to eliminate duplicates Z: 13 14.904 1.691 0.512 0.856 1.000 0.750 CA 1.241 Z: 17 31.087 2.182 0.932 0.879 0.812 0.625 CB 1.646 17 residues pruned to eliminate duplicates Z: 120 84.536 2.242 1.059 0.661 0.908 0.555 CB 1.593 120 residues pruned to eliminate duplicates Z: 12 25.594 2.235 0.911 0.843 0.909 0.545 CA 1.479 12 residues pruned to eliminate duplicates Z: 19 20.538 2.129 0.330 0.820 0.889 0.722 CA 1.458 19 residues pruned to eliminate duplicates Z: 11 22.821 2.081 0.544 0.919 1.000 1.000 CA 1.583 11 residues pruned to eliminate duplicates Z: 128 90.853 2.304 1.014 0.650 0.913 0.630 CA 1.654 80 residues pruned to eliminate duplicates Z: 13 35.233 2.274 1.018 0.898 1.000 0.833 CA 1.585 13 residues pruned to eliminate duplicates Z: 14 27.625 2.167 0.817 0.866 1.000 0.846 CA 1.425 14 residues pruned to eliminate duplicates Z: 15 32.960 2.161 1.271 0.808 0.929 0.643 CB 1.477 15 residues pruned to eliminate duplicates Z: 92 73.751 2.312 0.976 0.637 0.901 0.604 CA 1.653 92 residues pruned to eliminate duplicates Z: 13 32.074 2.059 1.120 0.887 0.917 0.667 CA 1.668 13 residues pruned to eliminate duplicates Z: 13 29.119 2.060 0.986 0.850 1.000 0.667 CB 1.523 13 residues pruned to eliminate duplicates Z: 13 23.409 2.022 0.835 0.851 1.000 0.500 CA 1.348 13 residues pruned to eliminate duplicates Z: 13 29.260 2.203 0.754 0.881 1.000 0.750 CA 1.583 13 residues pruned to eliminate duplicates Z: 18 35.195 2.263 0.832 0.899 0.941 0.824 CB 1.564 18 residues pruned to eliminate duplicates Z: 13 28.124 2.083 1.091 0.873 1.000 0.417 CB 1.357 13 residues pruned to eliminate duplicates Z: 14 29.402 2.324 0.992 0.791 0.846 0.769 CA 1.613 14 residues pruned to eliminate duplicates Z: 18 13.628 1.731 0.877 0.347 0.941 0.706 CA 1.276 18 residues pruned to eliminate duplicates Z: 12 21.469 2.150 0.477 0.853 1.000 0.818 CA 1.507 12 residues pruned to eliminate duplicates Z: 19 40.270 2.273 1.215 0.842 0.944 0.389 CB 1.487 19 residues pruned to eliminate duplicates Z: 19 41.940 2.376 1.024 0.863 0.944 0.722 CA 1.597 19 residues pruned to eliminate duplicates Z: 10 31.165 2.247 1.416 0.860 1.000 0.556 CA 1.407 10 residues pruned to eliminate duplicates Z: 20 33.643 2.097 0.871 0.828 1.000 0.895 CA 1.482 20 residues pruned to eliminate duplicates Z: 13 24.082 2.107 0.731 0.877 0.917 0.583 CB 1.510 13 residues pruned to eliminate duplicates Z: 19 47.330 2.276 1.484 0.844 0.944 0.389 CB 1.554 18 residues pruned to eliminate duplicates Z: 13 27.631 2.232 0.780 0.866 1.000 0.917 CA 1.470 13 residues pruned to eliminate duplicates Z: 24 26.726 2.132 1.179 0.564 0.826 0.522 CB 1.365 24 residues pruned to eliminate duplicates Z: 10 21.999 2.317 0.643 0.888 0.889 0.778 CA 1.561 10 residues pruned to eliminate duplicates Z: 19 35.668 2.218 0.933 0.905 0.889 0.556 CA 1.570 19 residues pruned to eliminate duplicates Z: 20 38.122 2.206 0.943 0.887 0.947 0.632 CA 1.552 20 residues pruned to eliminate duplicates Z: 12 23.716 2.005 1.117 0.857 0.909 0.636 CA 1.367 12 residues pruned to eliminate duplicates Z: 35 26.469 2.033 0.793 0.476 0.882 0.441 CB 1.446 35 residues pruned to eliminate duplicates Z: 19 32.661 2.154 0.607 0.881 1.000 0.722 CB 1.610 19 residues pruned to eliminate duplicates Z: 13 20.411 2.273 0.630 0.741 0.833 0.750 CA 1.538 13 residues pruned to eliminate duplicates Z: 13 45.549 2.369 1.470 0.924 1.000 0.417 CB 1.578 13 residues pruned to eliminate duplicates Z: 20 43.150 2.232 1.104 0.884 1.000 0.579 CA 1.523 20 residues pruned to eliminate duplicates Z: 10 17.758 1.904 0.428 0.887 1.000 0.889 CA 1.569 10 residues pruned to eliminate duplicates Z: 11 32.988 2.233 1.145 0.904 1.000 0.200 CB 1.551 11 residues pruned to eliminate duplicates Z: 8 6.797 1.669 0.838 0.555 0.714 0.429 N 1.111 8 residues pruned to eliminate duplicates Z: 13 13.147 1.917 0.442 0.849 0.917 0.833 CA 1.110 13 residues pruned to eliminate duplicates Z: 12 20.887 1.924 0.798 0.893 1.000 0.545 CA 1.307 Z: 13 20.515 2.119 0.434 0.881 0.917 0.833 CA 1.540 13 residues pruned to eliminate duplicates Z: 57 60.550 2.276 0.949 0.696 0.946 0.661 CB 1.612 57 residues pruned to eliminate duplicates Z: 16 7.086 1.831 0.928 0.229 0.667 0.200 CB 1.066 12 residues pruned to eliminate duplicates Z: 11 12.183 1.897 0.369 0.893 0.800 0.700 CA 1.331 11 residues pruned to eliminate duplicates Z: 20 28.113 2.084 0.754 0.821 0.947 0.526 CB 1.410 20 residues pruned to eliminate duplicates Z: 13 16.720 1.972 0.365 0.871 1.000 0.750 CA 1.307 13 residues pruned to eliminate duplicates Z: 14 22.808 2.174 0.432 0.782 1.000 0.769 CB 1.585 14 residues pruned to eliminate duplicates Z: 138 94.644 2.299 1.011 0.627 0.934 0.628 CA 1.660 130 residues pruned to eliminate duplicates Z: 13 16.988 1.792 0.717 0.809 1.000 0.667 CA 1.218 13 residues pruned to eliminate duplicates Z: 13 33.064 2.173 0.873 0.891 1.000 0.833 CA 1.686 13 residues pruned to eliminate duplicates Z: 13 40.207 2.251 0.981 0.936 1.000 0.750 CA 1.812 13 residues pruned to eliminate duplicates Z: 12 27.148 2.171 0.814 0.895 0.909 0.727 CB 1.639 12 residues pruned to eliminate duplicates Z: 21 37.397 2.227 0.962 0.859 0.900 0.650 CA 1.566 21 residues pruned to eliminate duplicates Z: 19 25.883 1.911 0.810 0.851 0.889 0.667 CB 1.469 20 residues pruned to eliminate duplicates Z: 7 4.652 1.759 0.872 0.296 0.667 0.500 N 1.086 Z: 19 42.763 2.283 1.256 0.837 0.944 0.889 CB 1.549 19 residues pruned to eliminate duplicates Z: 14 15.902 1.987 0.344 0.809 1.000 0.615 CB 1.262 14 residues pruned to eliminate duplicates Z: 19 22.958 2.192 0.757 0.591 0.889 0.667 CA 1.449 19 residues pruned to eliminate duplicates Z: 13 38.464 2.238 1.081 0.920 1.000 0.833 CA 1.679 13 residues pruned to eliminate duplicates Z: 16 38.994 2.194 1.032 0.927 0.933 0.467 CA 1.696 16 residues pruned to eliminate duplicates Z: 18 34.247 2.159 0.941 0.918 1.000 0.647 CA 1.398 18 residues pruned to eliminate duplicates Z: 11 17.344 1.814 0.667 0.869 1.000 0.900 CB 1.324 17 residues pruned to eliminate duplicates Z: 12 18.308 1.924 0.653 0.883 0.909 0.636 CA 1.380 12 residues pruned to eliminate duplicates Z: 14 45.564 2.392 1.365 0.897 1.000 0.615 CB 1.599 14 residues pruned to eliminate duplicates Z: 17 33.019 2.201 1.012 0.856 0.938 0.562 CA 1.466 17 residues pruned to eliminate duplicates Z: 131 103.225 2.333 1.125 0.660 0.938 0.546 CB 1.678 136 residues pruned to eliminate duplicates Z: 8 8.544 1.764 0.730 0.638 0.857 0.714 CB 1.085 8 residues pruned to eliminate duplicates Z: 11 15.414 1.814 0.555 0.820 1.000 0.700 CB 1.309 12 residues pruned to eliminate duplicates Z: 15 22.521 2.030 0.951 0.762 0.857 0.429 CB 1.406 15 residues pruned to eliminate duplicates Z: 12 27.789 2.344 0.430 0.937 1.000 0.909 CA 1.740 12 residues pruned to eliminate duplicates Z: 14 39.245 2.276 1.177 0.915 1.000 0.769 CB 1.553 14 residues pruned to eliminate duplicates Z: 20 34.645 2.198 1.214 0.736 0.842 0.632 CB 1.569 20 residues pruned to eliminate duplicates Z: 12 16.169 1.995 0.387 0.863 0.909 0.727 CA 1.422 12 residues pruned to eliminate duplicates Z: 14 35.900 2.371 0.878 0.871 1.000 0.692 CB 1.631 14 residues pruned to eliminate duplicates Z: 13 34.361 2.267 1.078 0.916 1.000 0.917 CA 1.486 13 residues pruned to eliminate duplicates Z: 106 64.023 2.199 0.927 0.610 0.838 0.533 CB 1.585 106 residues pruned to eliminate duplicates Z: 20 39.896 2.274 0.908 0.896 1.000 0.632 CA 1.511 20 residues pruned to eliminate duplicates Z: 34 46.932 2.295 1.156 0.678 0.939 0.636 CB 1.492 32 residues pruned to eliminate duplicates Z: 15 47.510 2.299 1.564 0.923 1.000 0.786 CB 1.513 15 residues pruned to eliminate duplicates Z: 15 19.833 2.171 0.431 0.822 0.929 0.857 CB 1.390 15 residues pruned to eliminate duplicates Z: 13 22.884 2.087 0.918 0.805 0.917 0.500 CB 1.379 13 residues pruned to eliminate duplicates Z: 16 17.270 2.252 0.823 0.414 0.867 0.533 CA 1.372 17 residues pruned to eliminate duplicates Z: 19 23.547 2.234 0.356 0.889 0.944 0.944 CA 1.396 19 residues pruned to eliminate duplicates Z: 15 31.440 2.193 0.897 0.799 1.000 0.786 CA 1.555 15 residues pruned to eliminate duplicates Z: 18 15.768 2.100 0.569 0.453 0.824 0.529 CB 1.479 18 residues pruned to eliminate duplicates Z: 14 29.041 2.271 1.047 0.778 0.923 0.615 CB 1.468 14 residues pruned to eliminate duplicates Z: 17 27.146 2.248 0.391 0.923 1.000 1.000 CA 1.526 17 residues pruned to eliminate duplicates Z: 14 42.999 2.269 1.329 0.863 1.000 0.538 CA 1.656 14 residues pruned to eliminate duplicates Z: 43 31.937 2.102 0.845 0.517 0.881 0.571 CB 1.418 42 residues pruned to eliminate duplicates Z: 19 37.927 2.359 0.758 0.866 0.944 0.778 CA 1.672 19 residues pruned to eliminate duplicates Z: 44 46.474 2.336 0.836 0.555 0.953 0.674 CA 1.643 44 residues pruned to eliminate duplicates Z: 44 51.628 2.285 1.106 0.571 0.930 0.581 CA 1.642 43 residues pruned to eliminate duplicates Z: 9 9.063 1.773 0.443 0.571 1.000 0.500 CB 1.170 9 residues pruned to eliminate duplicates Z: 21 31.874 2.237 0.875 0.806 0.850 0.500 CA 1.530 21 residues pruned to eliminate duplicates Z: 22 30.190 2.192 0.939 0.654 0.857 0.667 CB 1.568 22 residues pruned to eliminate duplicates Z: 60 40.344 2.180 0.786 0.568 0.864 0.542 CB 1.461 60 residues pruned to eliminate duplicates Z: 93 76.294 2.256 1.075 0.644 0.935 0.543 CB 1.589 93 residues pruned to eliminate duplicates Z: 9 7.421 1.521 0.617 0.692 0.750 0.375 N 1.193 9 residues pruned to eliminate duplicates Z: 12 23.138 2.003 1.007 0.900 0.909 0.727 CB 1.364 12 residues pruned to eliminate duplicates Z: 13 20.020 1.905 0.811 0.810 1.000 0.833 CA 1.279 13 residues pruned to eliminate duplicates Z: 14 12.025 1.884 0.094 0.855 1.000 0.923 CB 1.194 14 residues pruned to eliminate duplicates Z: 6 10.479 2.117 0.451 0.669 1.000 0.600 CA 1.305 6 residues pruned to eliminate duplicates Z: 111 85.130 2.336 0.955 0.643 0.918 0.545 CA 1.694 113 residues pruned to eliminate duplicates Z: 13 25.806 1.976 0.773 0.921 1.000 0.833 CA 1.497 13 residues pruned to eliminate duplicates Z: 6 7.495 2.047 0.052 0.724 1.000 0.600 CA 1.271 6 residues pruned to eliminate duplicates Z: 17 21.439 1.907 0.663 0.892 0.938 0.688 CA 1.295 17 residues pruned to eliminate duplicates Z: 12 15.923 2.216 0.391 0.820 0.909 0.545 CA 1.298 12 residues pruned to eliminate duplicates Z: 21 24.250 2.157 0.545 0.864 0.900 0.800 CA 1.326 21 residues pruned to eliminate duplicates Z: 11 15.960 1.768 0.522 0.859 1.000 0.600 CB 1.379 14 residues pruned to eliminate duplicates Z: 12 33.374 2.256 0.998 0.881 0.909 0.727 CB 1.779 12 residues pruned to eliminate duplicates Z: 9 6.919 1.687 0.549 0.350 0.750 0.500 CB 1.468 9 residues pruned to eliminate duplicates Z: 17 13.691 1.793 0.149 0.835 0.938 0.812 CA 1.327 Z: 15 14.103 1.918 0.968 0.353 0.929 0.500 CB 1.260 15 residues pruned to eliminate duplicates Z: 19 44.437 2.245 1.400 0.837 0.944 0.389 CB 1.539 19 residues pruned to eliminate duplicates Z: 12 23.760 2.041 0.783 0.895 1.000 0.636 CA 1.411 12 residues pruned to eliminate duplicates Z: 15 25.656 2.024 1.073 0.795 0.929 0.786 CA 1.359 15 residues pruned to eliminate duplicates Z: 10 9.155 1.619 1.121 0.345 0.778 0.556 O 1.352 Z: 11 21.975 2.197 0.508 0.879 0.900 0.800 CB 1.690 11 residues pruned to eliminate duplicates Z: 21 22.767 2.212 0.410 0.835 0.900 0.750 CA 1.358 21 residues pruned to eliminate duplicates Z: 12 22.275 1.951 0.738 0.918 1.000 0.818 CA 1.397 12 residues pruned to eliminate duplicates Z: 11 24.208 2.063 0.668 0.882 1.000 0.900 CB 1.609 10 residues pruned to eliminate duplicates Z: 22 27.932 2.047 0.978 0.861 0.810 0.571 CA 1.366 22 residues pruned to eliminate duplicates Z: 20 22.125 1.895 0.442 0.861 0.947 0.684 CB 1.441 20 residues pruned to eliminate duplicates Z: 134 73.732 2.205 0.890 0.602 0.902 0.647 CA 1.543 134 residues pruned to eliminate duplicates Z: 16 22.540 2.024 0.762 0.773 1.000 0.800 CA 1.282 16 residues pruned to eliminate duplicates Z: 21 23.295 2.122 0.530 0.821 0.900 0.750 CA 1.349 21 residues pruned to eliminate duplicates Z: 15 19.903 2.044 0.704 0.820 0.929 0.857 CA 1.246 15 residues pruned to eliminate duplicates Z: 20 25.503 2.083 0.495 0.865 0.947 0.579 CB 1.453 20 residues pruned to eliminate duplicates Z: 11 17.989 1.939 0.572 0.902 1.000 0.900 CB 1.332 Z: 16 23.258 2.223 0.211 0.894 1.000 0.867 CB 1.600 16 residues pruned to eliminate duplicates Z: 14 26.472 2.178 0.890 0.783 1.000 0.615 CB 1.390 14 residues pruned to eliminate duplicates Z: 19 20.009 1.964 0.868 0.619 0.889 0.611 CB 1.292 19 residues pruned to eliminate duplicates Z: 18 25.566 2.187 0.647 0.804 0.941 0.765 CA 1.403 18 residues pruned to eliminate duplicates Z: 123 90.568 2.296 1.113 0.654 0.877 0.508 CB 1.671 123 residues pruned to eliminate duplicates Z: 7 9.799 1.758 0.614 0.810 0.833 0.833 CA 1.291 7 residues pruned to eliminate duplicates Z: 13 34.899 2.367 0.947 0.886 1.000 0.833 CA 1.577 13 residues pruned to eliminate duplicates Z: 13 23.411 2.039 0.659 0.859 1.000 0.750 CA 1.470 13 residues pruned to eliminate duplicates Z: 23 22.716 2.130 0.617 0.599 0.818 0.591 CA 1.564 23 residues pruned to eliminate duplicates Z: 13 13.936 1.727 0.383 0.806 1.000 0.667 CA 1.289 Z: 13 22.989 2.073 0.574 0.902 1.000 0.917 CA 1.451 13 residues pruned to eliminate duplicates Z: 10 11.019 1.690 0.692 0.684 0.889 0.444 CB 1.221 10 residues pruned to eliminate duplicates Z: 14 33.468 2.237 0.872 0.899 1.000 0.846 CB 1.584 14 residues pruned to eliminate duplicates Z: 15 29.633 2.168 0.987 0.807 0.929 0.786 CA 1.515 15 residues pruned to eliminate duplicates Z: 71 45.901 2.114 0.884 0.554 0.886 0.629 CB 1.476 70 residues pruned to eliminate duplicates Z: 12 34.345 2.222 1.022 0.870 1.000 0.364 CB 1.683 12 residues pruned to eliminate duplicates Z: 19 24.933 1.964 0.622 0.881 1.000 0.778 CB 1.337 19 residues pruned to eliminate duplicates Z: 14 26.743 2.348 0.871 0.769 0.769 0.538 CA 1.729 14 residues pruned to eliminate duplicates Z: 10 23.798 2.146 0.804 0.927 1.000 0.778 CB 1.436 10 residues pruned to eliminate duplicates Z: 134 85.623 2.280 0.929 0.645 0.902 0.647 CA 1.634 134 residues pruned to eliminate duplicates Z: 34 31.329 2.243 0.974 0.529 0.758 0.485 CB 1.579 34 residues pruned to eliminate duplicates Z: 13 34.242 2.204 0.952 0.905 0.917 0.667 CB 1.784 13 residues pruned to eliminate duplicates Z: 38 20.942 1.801 0.566 0.567 0.865 0.676 CB 1.322 31 residues pruned to eliminate duplicates Z: 11 21.953 2.433 0.351 0.924 0.900 0.900 CA 1.647 11 residues pruned to eliminate duplicates Z: 45 28.422 2.015 0.680 0.469 0.955 0.477 CB 1.368 45 residues pruned to eliminate duplicates Z: 20 34.005 2.095 1.048 0.835 0.895 0.737 CA 1.522 20 residues pruned to eliminate duplicates Z: 12 12.831 1.730 0.395 0.877 1.000 0.818 CA 1.164 12 residues pruned to eliminate duplicates Z: 10 14.094 1.903 0.405 0.884 0.889 0.889 CA 1.428 10 residues pruned to eliminate duplicates Z: 14 29.678 2.034 1.119 0.813 0.923 0.538 CB 1.575 14 residues pruned to eliminate duplicates Z: 12 24.875 2.164 0.614 0.879 1.000 0.818 CA 1.558 12 residues pruned to eliminate duplicates Z: 18 22.549 1.944 0.935 0.688 0.882 0.765 CA 1.387 18 residues pruned to eliminate duplicates Z: 11 5.536 1.725 0.463 0.306 0.700 0.400 N 1.229 Z: 32 25.810 2.057 1.007 0.473 0.871 0.355 CB 1.324 32 residues pruned to eliminate duplicates Z: 13 29.828 2.259 1.017 0.845 0.917 0.167 CB 1.533 13 residues pruned to eliminate duplicates Z: 13 14.661 1.876 0.415 0.803 1.000 0.667 CA 1.224 13 residues pruned to eliminate duplicates Z: 18 25.619 2.000 0.632 0.877 0.941 0.765 CA 1.468 19 residues pruned to eliminate duplicates Z: 11 11.349 1.836 0.299 0.796 0.900 0.700 CA 1.289 11 residues pruned to eliminate duplicates Z: 17 18.616 1.813 0.536 0.858 0.938 0.688 CB 1.313 17 residues pruned to eliminate duplicates Z: 11 23.616 2.124 0.844 0.915 0.900 0.700 CA 1.497 11 residues pruned to eliminate duplicates Z: 9 15.081 1.979 0.321 0.900 1.000 0.625 CA 1.457 9 residues pruned to eliminate duplicates Z: 13 21.493 1.942 0.858 0.903 0.917 0.583 CA 1.337 13 residues pruned to eliminate duplicates Z: 11 10.831 1.803 0.924 0.416 0.900 0.500 CB 1.198 11 residues pruned to eliminate duplicates Z: 14 27.249 2.195 0.970 0.795 0.923 0.846 CA 1.462 14 residues pruned to eliminate duplicates Z: 19 26.498 1.930 0.901 0.850 0.889 0.722 CA 1.419 19 residues pruned to eliminate duplicates Z: 12 31.303 2.362 0.833 0.841 1.000 0.636 CA 1.626 12 residues pruned to eliminate duplicates Z: 23 23.919 1.936 0.816 0.586 0.955 0.545 CB 1.399 12 residues pruned to eliminate duplicates Z: 13 28.797 1.916 1.215 0.927 1.000 0.500 CA 1.373 13 residues pruned to eliminate duplicates Z: 23 19.661 1.924 0.753 0.595 0.864 0.636 CB 1.315 22 residues pruned to eliminate duplicates Z: 59 36.818 2.083 0.693 0.533 0.879 0.500 CB 1.509 59 residues pruned to eliminate duplicates Z: 14 26.735 2.174 0.921 0.813 0.923 0.769 CA 1.465 14 residues pruned to eliminate duplicates Z: 10 5.494 1.797 0.330 0.361 1.000 0.444 CB 0.890 10 residues pruned to eliminate duplicates Z: 10 4.646 1.447 0.357 0.673 0.778 0.667 CB 0.865 9 residues pruned to eliminate duplicates Z: 12 11.034 1.887 0.544 0.469 0.909 0.818 CB 1.297 10 residues pruned to eliminate duplicates Z: 10 24.343 2.036 0.923 0.870 1.000 0.667 CA 1.512 10 residues pruned to eliminate duplicates Z: 18 23.520 1.945 0.570 0.793 1.000 0.765 CB 1.446 18 residues pruned to eliminate duplicates Z: 18 37.299 2.258 0.885 0.869 1.000 0.529 CB 1.552 18 residues pruned to eliminate duplicates Z: 8 12.714 1.868 0.519 0.873 0.857 0.714 CB 1.438 8 residues pruned to eliminate duplicates Z: 21 36.766 2.147 0.921 0.879 0.900 0.650 CA 1.606 21 residues pruned to eliminate duplicates Z: 22 33.243 2.168 0.813 0.845 0.952 0.762 CA 1.440 22 residues pruned to eliminate duplicates Z: 14 11.434 1.826 0.406 0.705 0.846 0.615 CB 1.211 11 residues pruned to eliminate duplicates Z: 67 47.337 2.237 0.782 0.472 0.955 0.576 CB 1.576 67 residues pruned to eliminate duplicates Z: 12 18.451 2.023 0.729 0.821 0.909 0.636 CB 1.325 12 residues pruned to eliminate duplicates Z: 11 12.421 1.828 0.367 0.800 0.900 0.500 CA 1.344 11 residues pruned to eliminate duplicates Z: 8 11.800 1.763 0.845 0.538 1.000 0.714 CA 1.321 8 residues pruned to eliminate duplicates Z: 14 28.139 2.026 0.881 0.890 1.000 0.846 CA 1.473 14 residues pruned to eliminate duplicates Z: 15 22.107 2.005 0.769 0.827 1.000 0.714 CA 1.255 15 residues pruned to eliminate duplicates Z: 18 30.816 2.210 0.620 0.884 1.000 0.941 CA 1.509 18 residues pruned to eliminate duplicates Z: 44 46.372 2.272 0.977 0.550 0.953 0.628 CA 1.573 44 residues pruned to eliminate duplicates Z: 14 15.577 1.584 0.668 0.800 1.000 0.615 CB 1.258 14 residues pruned to eliminate duplicates Z: 64 46.879 2.200 0.890 0.535 0.857 0.556 CB 1.602 64 residues pruned to eliminate duplicates Z: 9 31.177 2.531 1.010 0.914 0.875 0.625 CA 1.751 9 residues pruned to eliminate duplicates Z: 9 22.051 2.090 0.677 0.883 1.000 0.750 CB 1.608 9 residues pruned to eliminate duplicates Z: 23 34.871 2.210 0.816 0.826 0.864 0.682 CB 1.617 23 residues pruned to eliminate duplicates Z: 11 29.972 2.122 0.991 0.934 1.000 0.600 CB 1.564 17 residues pruned to eliminate duplicates Z: 12 14.110 1.812 0.763 0.846 1.000 0.727 CB 0.990 12 residues pruned to eliminate duplicates Z: 10 8.092 1.910 0.185 0.809 0.667 0.556 CB 1.365 10 residues pruned to eliminate duplicates Z: 80 69.540 2.301 1.080 0.616 0.886 0.582 CA 1.653 80 residues pruned to eliminate duplicates Z: 8 10.573 2.061 0.094 0.851 0.857 0.714 N 1.530 8 residues pruned to eliminate duplicates Z: 18 42.066 2.243 1.096 0.862 1.000 0.294 CB 1.593 18 residues pruned to eliminate duplicates Z: 35 15.589 1.710 0.611 0.405 0.853 0.353 CB 1.257 30 residues pruned to eliminate duplicates Z: 10 23.424 2.038 0.677 0.898 1.000 1.000 CB 1.633 10 residues pruned to eliminate duplicates Z: 11 26.360 2.046 0.947 0.906 1.000 0.400 CA 1.489 11 residues pruned to eliminate duplicates Z: 13 20.969 1.924 0.858 0.858 1.000 0.833 CA 1.247 13 residues pruned to eliminate duplicates Z: 18 31.624 2.291 0.664 0.846 0.941 0.882 CA 1.588 18 residues pruned to eliminate duplicates Z: 18 42.390 2.335 1.207 0.839 0.941 0.647 CB 1.583 18 residues pruned to eliminate duplicates Z: 20 26.154 2.076 0.523 0.860 1.000 0.789 CA 1.395 20 residues pruned to eliminate duplicates Z: 27 27.411 2.100 0.984 0.468 0.885 0.538 CA 1.506 27 residues pruned to eliminate duplicates Z: 11 24.905 2.016 0.923 0.882 0.900 0.600 CB 1.633 11 residues pruned to eliminate duplicates Z: 14 35.633 2.180 1.250 0.846 1.000 0.385 CB 1.497 14 residues pruned to eliminate duplicates Z: 12 23.646 2.012 0.775 0.920 1.000 0.818 CB 1.406 12 residues pruned to eliminate duplicates Z: 20 26.835 1.916 0.647 0.889 1.000 0.737 CA 1.404 20 residues pruned to eliminate duplicates Z: 16 19.374 1.901 0.695 0.853 0.867 0.733 CB 1.323 16 residues pruned to eliminate duplicates Z: 14 20.212 1.862 0.658 0.873 1.000 0.692 CA 1.323 14 residues pruned to eliminate duplicates Z: 6 3.405 1.560 0.483 0.553 1.000 0.800 CB 0.625 Z: 13 36.284 2.391 0.877 0.883 1.000 0.833 CA 1.687 13 residues pruned to eliminate duplicates Z: 11 6.010 1.655 0.355 0.460 0.800 0.500 CB 1.104 11 residues pruned to eliminate duplicates Z: 14 12.180 1.755 0.424 0.893 0.923 0.769 CA 1.051 14 residues pruned to eliminate duplicates Z: 13 30.734 2.181 0.693 0.908 1.000 0.917 CA 1.706 13 residues pruned to eliminate duplicates Z: 81 65.308 2.284 0.956 0.626 0.875 0.650 CB 1.659 81 residues pruned to eliminate duplicates Z: 10 14.453 1.976 0.325 0.807 0.889 0.444 CA 1.583 10 residues pruned to eliminate duplicates Z: 139 92.440 2.302 1.077 0.629 0.899 0.623 CA 1.622 139 residues pruned to eliminate duplicates Z: 6 3.626 1.759 0.904 0.291 0.600 0.400 CA 1.020 Z: 15 24.918 2.184 0.705 0.740 0.929 0.714 CA 1.553 15 residues pruned to eliminate duplicates Z: 15 23.371 1.942 0.647 0.932 1.000 0.714 CB 1.364 15 residues pruned to eliminate duplicates Z: 17 26.235 2.188 0.610 0.832 0.938 0.750 CA 1.491 17 residues pruned to eliminate duplicates Z: 19 22.473 2.111 0.527 0.839 0.944 0.833 CA 1.300 19 residues pruned to eliminate duplicates Z: 12 17.103 1.882 0.756 0.824 0.909 0.545 CB 1.297 12 residues pruned to eliminate duplicates Z: 21 32.721 2.092 0.897 0.840 0.950 0.600 CA 1.448 21 residues pruned to eliminate duplicates Z: 13 22.880 2.022 0.611 0.912 1.000 0.917 CA 1.437 13 residues pruned to eliminate duplicates Z: 7 9.113 1.908 0.053 0.719 1.000 0.500 CB 1.519 7 residues pruned to eliminate duplicates Z: 19 20.424 1.955 0.422 0.808 0.944 0.667 CB 1.401 19 residues pruned to eliminate duplicates Z: 12 20.020 1.864 0.724 0.881 1.000 0.909 CA 1.360 12 residues pruned to eliminate duplicates Z: 36 33.253 2.118 1.070 0.557 0.914 0.571 CB 1.326 36 residues pruned to eliminate duplicates Z: 8 8.439 1.468 0.970 0.767 0.857 0.571 CA 1.016 8 residues pruned to eliminate duplicates Z: 100 91.036 2.323 1.049 0.689 0.929 0.707 CB 1.741 100 residues pruned to eliminate duplicates Z: 7 3.861 1.652 0.421 0.308 0.667 0.333 CB 1.246 Z: 27 17.250 1.882 0.504 0.402 0.923 0.615 CB 1.435 11 residues pruned to eliminate duplicates Z: 13 34.475 2.269 0.907 0.917 0.917 0.917 CA 1.771 13 residues pruned to eliminate duplicates Z: 12 15.506 1.832 0.487 0.893 1.000 0.909 CB 1.232 14 residues pruned to eliminate duplicates Z: 17 42.610 2.327 0.963 0.853 1.000 0.750 CA 1.724 17 residues pruned to eliminate duplicates Z: 11 19.223 2.108 0.440 0.872 1.000 0.700 CA 1.460 11 residues pruned to eliminate duplicates Z: 6 4.969 2.094 0.064 0.597 1.000 0.400 CB 0.910 Z: 14 22.807 1.929 0.942 0.920 1.000 0.692 CB 1.189 14 residues pruned to eliminate duplicates Z: 44 34.046 2.118 0.690 0.509 0.907 0.605 CB 1.585 44 residues pruned to eliminate duplicates Z: 6 6.536 1.655 0.824 0.549 1.000 0.400 CA 0.923 6 residues pruned to eliminate duplicates Z: 10 12.074 1.699 0.391 0.853 1.000 0.778 CA 1.258 6 residues pruned to eliminate duplicates Z: 29 18.280 1.909 0.511 0.513 0.893 0.643 CB 1.324 30 residues pruned to eliminate duplicates Z: 54 34.311 2.175 0.690 0.485 0.925 0.491 CB 1.409 54 residues pruned to eliminate duplicates Z: 19 31.155 2.205 0.817 0.819 0.944 0.722 CA 1.472 19 residues pruned to eliminate duplicates Z: 143 93.023 2.295 0.946 0.646 0.937 0.648 CA 1.629 143 residues pruned to eliminate duplicates Z: 7 6.429 1.726 0.002 0.844 1.000 0.667 CB 1.129 7 residues pruned to eliminate duplicates Z: 11 12.420 1.692 0.336 0.893 1.000 0.600 CB 1.247 11 residues pruned to eliminate duplicates Z: 30 37.920 2.188 1.056 0.653 0.862 0.655 CB 1.576 22 residues pruned to eliminate duplicates Z: 13 15.134 1.773 0.580 0.828 1.000 0.750 CA 1.175 14 residues pruned to eliminate duplicates Z: 18 25.474 2.215 0.564 0.811 0.941 0.706 CB 1.445 18 residues pruned to eliminate duplicates Z: 123 84.523 2.284 0.991 0.639 0.902 0.566 CA 1.639 123 residues pruned to eliminate duplicates Z: 20 37.899 2.285 0.879 0.841 0.895 0.526 CA 1.688 20 residues pruned to eliminate duplicates Z: 65 40.689 2.125 0.731 0.532 0.906 0.578 CA 1.479 65 residues pruned to eliminate duplicates Z: 13 25.907 1.890 1.106 0.903 1.000 0.667 CA 1.339 13 residues pruned to eliminate duplicates Z: 13 17.344 1.809 0.545 0.894 1.000 0.917 CA 1.285 12 residues pruned to eliminate duplicates Z: 7 4.581 1.752 0.299 0.536 0.833 0.833 CB 0.952 Z: 60 62.312 2.346 1.007 0.644 0.881 0.627 CA 1.709 56 residues pruned to eliminate duplicates Z: 49 23.673 1.930 0.656 0.479 0.854 0.500 CB 1.279 49 residues pruned to eliminate duplicates Z: 89 75.638 2.261 1.023 0.724 0.920 0.659 CB 1.565 89 residues pruned to eliminate duplicates Z: 14 19.631 1.987 0.610 0.881 0.923 0.846 CA 1.335 14 residues pruned to eliminate duplicates Z: 96 75.121 2.268 0.999 0.629 0.937 0.547 CA 1.607 96 residues pruned to eliminate duplicates Z: 12 16.586 1.896 0.540 0.849 0.909 0.545 CB 1.396 12 residues pruned to eliminate duplicates Z: 14 17.517 1.922 0.415 0.897 1.000 0.846 CB 1.278 14 residues pruned to eliminate duplicates Z: 103 85.224 2.294 0.985 0.682 0.931 0.627 CA 1.684 103 residues pruned to eliminate duplicates Z: 21 23.876 2.078 0.813 0.686 0.850 0.650 CB 1.406 21 residues pruned to eliminate duplicates Z: 14 19.514 2.177 0.735 0.817 0.923 0.462 CB 1.179 14 residues pruned to eliminate duplicates Z: 10 16.950 1.954 0.501 0.824 1.000 0.556 CA 1.455 11 residues pruned to eliminate duplicates Z: 13 11.681 1.822 0.290 0.891 1.000 0.833 CA 1.031 13 residues pruned to eliminate duplicates Z: 14 20.200 1.913 0.713 0.876 1.000 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 65 50.970 2.238 0.834 0.519 0.953 0.594 CA 1.599 65 residues pruned to eliminate duplicates Z: 19 28.563 2.328 0.569 0.824 0.944 0.722 CA 1.474 19 residues pruned to eliminate duplicates Z: 13 22.825 2.083 0.636 0.886 1.000 0.667 CB 1.396 14 residues pruned to eliminate duplicates Z: 7 5.259 1.569 0.118 0.633 1.000 0.667 CA 1.080 7 residues pruned to eliminate duplicates Z: 15 30.009 2.100 0.933 0.797 1.000 0.357 CB 1.524 15 residues pruned to eliminate duplicates Z: 14 23.295 2.015 0.697 0.897 1.000 0.923 CA 1.352 14 residues pruned to eliminate duplicates Z: 11 20.354 1.893 0.623 0.926 1.000 1.000 CA 1.469 11 residues pruned to eliminate duplicates Z: 34 33.549 2.148 0.943 0.487 0.909 0.576 CA 1.560 43 residues pruned to eliminate duplicates Z: 13 11.907 1.800 0.469 0.818 0.917 0.833 CB 1.076 13 residues pruned to eliminate duplicates Z: 12 20.453 1.798 0.830 0.873 1.000 0.364 CA 1.365 12 residues pruned to eliminate duplicates Z: 14 28.486 2.194 0.735 0.886 1.000 0.769 CA 1.497 14 residues pruned to eliminate duplicates Z: 38 26.309 2.154 0.587 0.608 0.865 0.649 CB 1.321 38 residues pruned to eliminate duplicates Z: 136 82.011 2.237 1.027 0.631 0.867 0.526 CB 1.589 136 residues pruned to eliminate duplicates Z: 13 23.681 2.054 0.613 0.907 1.000 0.750 CA 1.467 13 residues pruned to eliminate duplicates Z: 20 25.464 2.160 0.631 0.665 0.895 0.579 CA 1.591 20 residues pruned to eliminate duplicates Z: 13 21.692 2.009 0.705 0.926 1.000 0.833 CB 1.282 13 residues pruned to eliminate duplicates Z: 54 32.275 1.935 0.742 0.589 0.925 0.547 CB 1.306 44 residues pruned to eliminate duplicates Z: 119 75.449 2.210 0.919 0.657 0.898 0.636 CB 1.576 119 residues pruned to eliminate duplicates Z: 7 7.701 1.808 0.547 0.657 0.833 0.333 CB 1.166 7 residues pruned to eliminate duplicates Z: 21 16.505 1.999 0.478 0.509 0.900 0.550 CB 1.375 21 residues pruned to eliminate duplicates Z: 18 42.992 2.310 1.499 0.885 0.882 0.294 CB 1.478 26 residues pruned to eliminate duplicates Z: 95 44.564 2.018 0.778 0.579 0.872 0.617 CB 1.361 95 residues pruned to eliminate duplicates Z: 9 8.509 1.662 0.413 0.848 1.000 0.625 CB 0.950 Z: 93 67.879 2.240 0.961 0.625 0.924 0.489 CB 1.550 93 residues pruned to eliminate duplicates Z: 7 4.408 1.851 0.823 0.711 0.500 0.333 N 0.881 7 residues pruned to eliminate duplicates Z: 11 20.035 2.102 0.545 0.902 1.000 1.000 CA 1.391 11 residues pruned to eliminate duplicates Z: 19 37.644 2.170 1.112 0.852 0.944 0.444 CA 1.516 19 residues pruned to eliminate duplicates Z: 13 25.226 2.073 0.759 0.844 1.000 0.917 CB 1.486 13 residues pruned to eliminate duplicates Z: 18 34.604 2.252 0.831 0.888 0.941 0.765 CA 1.558 18 residues pruned to eliminate duplicates Z: 11 12.379 1.785 0.434 0.800 1.000 0.800 CA 1.176 11 residues pruned to eliminate duplicates Z: 11 28.234 2.018 1.034 0.906 1.000 0.900 CA 1.547 11 residues pruned to eliminate duplicates Z: 10 12.093 1.934 0.469 0.844 0.889 0.667 CB 1.188 10 residues pruned to eliminate duplicates Z: 13 16.549 1.796 0.762 0.804 1.000 0.833 CB 1.158 13 residues pruned to eliminate duplicates Z: 12 24.204 1.865 0.906 0.897 1.000 0.727 CB 1.470 12 residues pruned to eliminate duplicates Z: 31 27.655 2.019 0.800 0.606 0.867 0.500 CB 1.449 31 residues pruned to eliminate duplicates Z: 20 40.172 2.291 1.109 0.885 0.842 0.737 CA 1.635 20 residues pruned to eliminate duplicates Z: 92 87.089 2.353 1.070 0.705 0.912 0.593 CA 1.705 92 residues pruned to eliminate duplicates Z: 9 16.498 2.032 0.491 0.841 1.000 0.875 CB 1.435 9 residues pruned to eliminate duplicates Z: 10 27.537 2.054 1.087 0.904 1.000 0.667 CA 1.525 10 residues pruned to eliminate duplicates Z: 15 17.973 1.983 0.608 0.729 0.929 0.643 CA 1.321 15 residues pruned to eliminate duplicates Z: 19 33.217 2.167 0.753 0.862 1.000 0.611 CA 1.513 19 residues pruned to eliminate duplicates Z: 13 11.406 1.656 0.365 0.832 1.000 0.583 CA 1.093 12 residues pruned to eliminate duplicates Z: 9 15.948 1.885 0.480 0.836 1.000 0.500 CA 1.513 9 residues pruned to eliminate duplicates Z: 6 12.483 1.961 0.374 0.850 1.000 0.600 CA 1.535 6 residues pruned to eliminate duplicates Z: 29 25.466 2.038 0.803 0.588 0.857 0.536 CA 1.405 29 residues pruned to eliminate duplicates Z: 12 35.439 2.290 0.932 0.902 1.000 0.636 CA 1.722 12 residues pruned to eliminate duplicates Z: 28 22.166 2.101 0.566 0.426 1.000 0.630 CB 1.400 28 residues pruned to eliminate duplicates Z: 10 16.371 1.925 0.626 0.796 1.000 0.444 CA 1.346 10 residues pruned to eliminate duplicates Z: 13 13.688 1.793 0.507 0.778 0.917 0.333 CB 1.248 13 residues pruned to eliminate duplicates Z: 6 8.974 1.946 0.698 0.655 0.800 0.400 CB 1.315 6 residues pruned to eliminate duplicates Z: 13 26.270 2.238 0.494 0.864 1.000 0.750 CA 1.663 13 residues pruned to eliminate duplicates Z: 8 14.018 1.865 0.468 0.828 1.000 0.714 CB 1.457 8 residues pruned to eliminate duplicates Z: 38 26.214 2.122 0.665 0.472 0.865 0.595 CB 1.451 38 residues pruned to eliminate duplicates Z: 46 37.112 2.234 0.660 0.487 0.978 0.667 CB 1.547 46 residues pruned to eliminate duplicates Z: 13 23.141 1.937 0.812 0.905 1.000 0.917 CA 1.355 13 residues pruned to eliminate duplicates Z: 10 12.136 1.645 0.540 0.899 1.000 1.000 CB 1.142 10 residues pruned to eliminate duplicates Z: 83 63.108 2.270 0.875 0.664 0.902 0.573 CA 1.560 83 residues pruned to eliminate duplicates Z: 14 22.033 2.010 0.647 0.895 1.000 0.615 CB 1.323 14 residues pruned to eliminate duplicates Z: 17 17.191 1.804 0.434 0.848 1.000 0.500 CB 1.232 17 residues pruned to eliminate duplicates Z: 11 19.131 1.861 0.565 0.918 1.000 0.800 CB 1.466 11 residues pruned to eliminate duplicates Z: 58 43.272 2.173 0.897 0.483 0.947 0.526 CB 1.493 58 residues pruned to eliminate duplicates Z: 16 15.106 1.908 0.482 0.849 0.867 0.600 CB 1.179 16 residues pruned to eliminate duplicates Z: 11 6.096 1.830 -0.041 0.434 0.800 0.500 C 1.470 16 residues pruned to eliminate duplicates Z: 9 3.400 1.596 0.396 0.273 0.750 0.375 CB 0.930 Z: 15 28.355 2.001 0.878 0.933 0.929 0.857 CA 1.515 15 residues pruned to eliminate duplicates Z: 132 76.384 2.250 0.853 0.641 0.863 0.603 CA 1.626 132 residues pruned to eliminate duplicates Z: 19 21.423 2.157 0.746 0.866 0.833 0.556 CB 1.178 19 residues pruned to eliminate duplicates Z: 61 51.220 2.211 1.012 0.584 0.900 0.567 CB 1.523 61 residues pruned to eliminate duplicates Z: 7 7.516 1.685 0.173 0.701 1.000 0.500 CB 1.293 7 residues pruned to eliminate duplicates Z: 35 31.705 2.219 0.625 0.659 0.882 0.588 CB 1.474 35 residues pruned to eliminate duplicates Z: 62 46.066 2.172 1.075 0.554 0.852 0.475 CB 1.456 62 residues pruned to eliminate duplicates Z: 140 77.031 2.211 0.897 0.622 0.906 0.576 CB 1.532 89 residues pruned to eliminate duplicates Z: 8 7.450 1.747 0.088 0.856 1.000 0.286 CB 1.092 8 residues pruned to eliminate duplicates Z: 20 20.397 2.051 0.737 0.488 0.895 0.526 CB 1.486 20 residues pruned to eliminate duplicates Z: 13 36.666 2.345 1.167 0.856 1.000 0.500 CA 1.536 13 residues pruned to eliminate duplicates Z: 18 35.256 2.190 0.937 0.883 0.941 0.588 CB 1.549 18 residues pruned to eliminate duplicates Z: 9 6.588 1.703 1.013 0.417 0.625 0.500 CA 1.185 9 residues pruned to eliminate duplicates Z: 8 7.502 1.664 0.444 0.582 1.000 0.857 CA 1.091 6 residues pruned to eliminate duplicates Z: 25 25.027 2.124 0.702 0.536 0.875 0.583 CA 1.558 25 residues pruned to eliminate duplicates Z: 11 4.723 1.768 0.555 0.410 0.800 0.500 CB 0.746 Z: 10 10.068 1.724 0.163 0.855 1.000 0.778 CA 1.235 10 residues pruned to eliminate duplicates Z: 14 23.088 2.051 0.791 0.819 1.000 0.385 CB 1.321 14 residues pruned to eliminate duplicates Z: 95 54.070 2.066 0.889 0.563 0.915 0.617 CB 1.469 88 residues pruned to eliminate duplicates Z: 6 8.632 1.856 0.728 0.600 0.800 0.600 CA 1.368 6 residues pruned to eliminate duplicates Z: 8 11.658 1.893 0.928 0.622 0.857 0.857 CB 1.255 Z: 7 5.063 1.523 0.592 0.509 1.000 0.500 CA 0.845 Z: 50 55.586 2.248 0.969 0.757 0.898 0.694 CA 1.590 50 residues pruned to eliminate duplicates Z: 12 23.732 2.144 1.004 0.883 0.909 0.545 CB 1.325 12 residues pruned to eliminate duplicates Z: 15 10.412 1.771 0.719 0.367 0.786 0.571 CB 1.342 15 residues pruned to eliminate duplicates Z: 19 17.343 1.770 0.606 0.794 0.944 0.667 CB 1.177 19 residues pruned to eliminate duplicates Z: 13 22.179 1.878 0.859 0.917 1.000 0.583 CA 1.294 13 residues pruned to eliminate duplicates 6 0.259 1.322 0.421 0.459 0.800 0.600 CB 0.080 ? Z: 8 5.915 1.818 0.154 0.399 0.857 0.429 CA 1.383 8 residues pruned to eliminate duplicates Z: 6 9.867 1.619 0.799 0.802 1.000 1.000 CA 1.164 Z: 48 27.250 1.986 0.733 0.461 0.894 0.489 CB 1.344 35 residues pruned to eliminate duplicates Z: 12 22.526 1.968 0.927 0.893 1.000 0.545 CA 1.285 12 residues pruned to eliminate duplicates Z: 13 23.178 2.195 0.802 0.837 0.917 0.833 CA 1.380 13 residues pruned to eliminate duplicates Z: 7 6.403 1.597 0.509 0.655 0.833 0.500 CA 1.127 7 residues pruned to eliminate duplicates Z: 13 46.905 2.357 1.267 0.933 1.000 0.833 CA 1.768 13 residues pruned to eliminate duplicates Z: 12 21.109 1.904 0.751 0.886 1.000 0.545 CA 1.377 12 residues pruned to eliminate duplicates Z: 14 23.524 1.938 1.019 0.905 0.923 0.462 CB 1.285 14 residues pruned to eliminate duplicates Z: 6 3.758 1.467 0.390 0.542 0.800 0.400 CA 0.989 6 residues pruned to eliminate duplicates Z: 12 5.650 1.505 0.289 0.371 0.818 0.364 C 1.232 Z: 6 3.947 1.743 0.263 0.541 0.600 0.200 CA 1.283 6 residues pruned to eliminate duplicates Z: 38 40.956 2.171 0.999 0.631 0.946 0.541 CB 1.451 38 residues pruned to eliminate duplicates Z: 22 37.267 2.148 1.137 0.891 0.857 0.667 CA 1.486 22 residues pruned to eliminate duplicates Z: 54 46.738 2.145 0.800 0.654 0.943 0.604 CB 1.528 54 residues pruned to eliminate duplicates Z: 14 16.855 1.897 0.480 0.857 1.000 0.769 CB 1.227 14 residues pruned to eliminate duplicates Z: 26 21.285 1.834 0.646 0.692 1.000 0.440 CB 1.183 26 residues pruned to eliminate duplicates Z: 15 16.077 1.780 0.564 0.837 0.929 0.500 CB 1.243 15 residues pruned to eliminate duplicates Z: 6 3.420 1.932 0.522 0.278 0.600 0.400 CB 1.114 Z: 17 17.004 1.874 0.508 0.775 1.000 0.625 CB 1.180 17 residues pruned to eliminate duplicates Z: 132 86.256 2.252 0.955 0.664 0.916 0.595 CB 1.606 132 residues pruned to eliminate duplicates Z: 13 25.407 1.979 1.083 0.907 1.000 0.833 CB 1.265 13 residues pruned to eliminate duplicates Z: 12 19.816 2.012 0.658 0.863 0.909 0.727 CA 1.446 12 residues pruned to eliminate duplicates Z: 56 37.567 2.124 0.997 0.543 0.836 0.545 CB 1.369 56 residues pruned to eliminate duplicates Z: 6 8.073 1.601 0.989 0.818 0.800 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 14 27.329 2.189 0.929 0.791 0.923 0.846 CB 1.506 14 residues pruned to eliminate duplicates Z: 17 41.268 2.391 0.970 0.863 0.938 0.750 CB 1.715 17 residues pruned to eliminate duplicates Z: 11 41.082 2.396 1.069 0.902 1.000 0.400 CA 1.869 11 residues pruned to eliminate duplicates Z: 21 37.030 2.193 1.050 0.859 1.000 0.750 CA 1.356 21 residues pruned to eliminate duplicates Z: 8 9.678 1.595 0.701 0.839 1.000 0.714 CA 1.006 8 residues pruned to eliminate duplicates Z: 13 8.292 1.799 0.383 0.393 0.833 0.583 CA 1.292 17 residues pruned to eliminate duplicates Z: 6 3.482 1.666 0.146 0.487 1.000 0.800 CB 0.826 6 residues pruned to eliminate duplicates Z: 13 25.788 2.063 0.856 0.920 1.000 0.750 CB 1.370 13 residues pruned to eliminate duplicates Z: 18 18.265 1.930 0.413 0.721 1.000 0.647 CB 1.331 17 residues pruned to eliminate duplicates Z: 19 27.877 2.148 0.653 0.808 0.889 0.444 CA 1.592 19 residues pruned to eliminate duplicates Z: 10 7.011 1.530 0.770 0.493 0.778 0.667 CB 1.117 10 residues pruned to eliminate duplicates Z: 59 45.992 2.257 0.806 0.487 0.948 0.621 CB 1.583 59 residues pruned to eliminate duplicates Z: 15 38.512 2.207 1.156 0.939 0.929 0.357 CA 1.619 15 residues pruned to eliminate duplicates Z: 11 14.240 1.938 0.325 0.794 1.000 0.800 CA 1.355 11 residues pruned to eliminate duplicates Z: 13 21.880 1.981 0.926 0.841 0.917 0.583 CA 1.347 13 residues pruned to eliminate duplicates Z: 12 17.540 1.885 0.795 0.903 0.909 0.818 CA 1.226 12 residues pruned to eliminate duplicates Z: 81 83.489 2.348 1.174 0.696 0.887 0.663 CB 1.723 81 residues pruned to eliminate duplicates Z: 9 16.106 1.944 0.463 0.805 1.000 0.875 CA 1.535 9 residues pruned to eliminate duplicates Z: 15 36.016 2.249 1.401 0.879 0.929 0.643 CB 1.393 15 residues pruned to eliminate duplicates Z: 36 28.954 2.125 1.028 0.543 0.771 0.514 CB 1.412 36 residues pruned to eliminate duplicates Z: 8 6.302 2.081 -0.025 0.785 0.714 0.571 CB 1.279 8 residues pruned to eliminate duplicates Z: 9 14.125 1.772 0.609 0.915 1.000 0.500 CB 1.238 9 residues pruned to eliminate duplicates Z: 12 10.739 1.832 0.905 0.532 0.818 0.636 CB 1.099 12 residues pruned to eliminate duplicates Z: 73 26.219 1.773 0.642 0.540 0.861 0.514 CB 1.185 79 residues pruned to eliminate duplicates Z: 20 33.110 2.047 0.934 0.886 0.947 0.526 CB 1.461 20 residues pruned to eliminate duplicates Z: 12 18.500 1.915 0.775 0.866 0.909 0.727 CA 1.322 12 residues pruned to eliminate duplicates Z: 16 34.524 2.198 1.098 0.943 1.000 0.267 CA 1.340 16 residues pruned to eliminate duplicates Z: 45 35.371 2.160 0.706 0.554 0.932 0.614 CB 1.473 45 residues pruned to eliminate duplicates Z: 7 2.342 1.322 0.390 0.405 0.667 0.333 N 0.863 Z: 15 23.199 2.173 0.649 0.739 0.929 0.857 CA 1.505 15 residues pruned to eliminate duplicates Z: 7 4.222 1.628 0.408 0.407 0.667 0.333 CA 1.244 Z: 26 23.567 2.129 0.806 0.449 0.840 0.440 CB 1.539 26 residues pruned to eliminate duplicates Z: 26 32.532 2.243 0.856 0.550 0.920 0.600 CA 1.618 26 residues pruned to eliminate duplicates Z: 10 16.102 1.722 0.694 0.871 1.000 0.889 CB 1.342 14 residues pruned to eliminate duplicates Z: 7 5.312 1.448 0.429 0.732 1.000 0.500 CB 0.850 5 residues pruned to eliminate duplicates Z: 6 6.165 1.583 0.291 0.832 1.000 0.800 CB 1.013 6 residues pruned to eliminate duplicates Z: 15 13.284 1.752 0.533 0.727 0.929 0.571 CB 1.160 15 residues pruned to eliminate duplicates Z: 97 89.592 2.332 1.041 0.693 0.948 0.562 CB 1.699 97 residues pruned to eliminate duplicates Z: 21 25.948 2.058 0.805 0.750 0.900 0.600 CB 1.388 21 residues pruned to eliminate duplicates Z: 89 82.635 2.357 0.988 0.718 0.920 0.670 CA 1.677 89 residues pruned to eliminate duplicates Z: 43 42.575 2.215 0.933 0.567 0.905 0.619 CA 1.590 43 residues pruned to eliminate duplicates Z: 20 8.906 1.656 0.424 0.366 0.842 0.526 CB 1.188 17 residues pruned to eliminate duplicates Z: 8 3.943 1.411 0.342 0.476 0.857 0.571 N 0.941 Z: 13 42.908 2.342 1.238 0.920 1.000 0.583 CB 1.664 13 residues pruned to eliminate duplicates Z: 62 53.872 2.214 0.994 0.567 0.918 0.705 CB 1.596 61 residues pruned to eliminate duplicates Z: 11 21.010 1.970 0.799 0.875 1.000 0.900 CA 1.363 11 residues pruned to eliminate duplicates Z: 10 11.469 1.823 0.696 0.793 0.889 0.444 CB 1.075 10 residues pruned to eliminate duplicates Z: 19 13.489 1.791 0.615 0.804 0.667 0.333 CB 1.264 19 residues pruned to eliminate duplicates Z: 26 16.967 1.897 0.672 0.467 0.960 0.640 CB 1.152 26 residues pruned to eliminate duplicates Z: 83 61.364 2.133 0.815 0.706 0.976 0.671 CB 1.487 83 residues pruned to eliminate duplicates Z: 19 38.442 2.193 1.013 0.894 0.889 0.611 CA 1.657 19 residues pruned to eliminate duplicates Z: 13 27.648 2.191 1.072 0.821 0.917 0.833 CA 1.452 13 residues pruned to eliminate duplicates Z: 14 39.382 2.271 1.122 0.898 1.000 0.692 CA 1.622 14 residues pruned to eliminate duplicates Z: 7 7.619 1.867 0.091 0.813 0.833 0.667 CA 1.396 7 residues pruned to eliminate duplicates Z: 19 27.707 2.056 0.669 0.858 0.944 0.722 CA 1.485 19 residues pruned to eliminate duplicates Z: 19 14.028 1.847 0.583 0.486 0.889 0.500 CB 1.291 19 residues pruned to eliminate duplicates Z: 20 23.315 2.017 0.442 0.913 1.000 0.947 CA 1.302 20 residues pruned to eliminate duplicates Z: 10 8.508 1.995 0.719 0.461 0.667 0.556 CA 1.291 10 residues pruned to eliminate duplicates Z: 33 45.902 2.199 1.012 0.678 0.906 0.469 CA 1.718 33 residues pruned to eliminate duplicates Z: 10 14.946 1.839 0.550 0.830 1.000 0.556 CB 1.314 13 residues pruned to eliminate duplicates Z: 6 8.463 1.727 0.870 0.641 1.000 0.800 CB 1.027 Z: 17 29.372 2.138 0.655 0.868 0.938 0.688 CB 1.618 17 residues pruned to eliminate duplicates Z: 13 14.245 2.082 0.612 0.494 0.833 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 29 40.305 2.108 0.980 0.629 1.000 0.643 CB 1.616 33 residues pruned to eliminate duplicates Z: 15 22.058 2.133 1.256 0.563 0.786 0.429 CA 1.467 15 residues pruned to eliminate duplicates Z: 13 18.186 1.797 0.715 0.900 1.000 0.833 CA 1.217 13 residues pruned to eliminate duplicates Z: 15 17.280 1.772 0.782 0.752 1.000 0.643 CA 1.168 15 residues pruned to eliminate duplicates Z: 14 19.018 2.001 0.640 0.757 0.923 0.692 CA 1.386 14 residues pruned to eliminate duplicates Z: 12 11.506 1.805 0.566 0.424 0.909 0.636 CA 1.460 16 residues pruned to eliminate duplicates Z: 15 21.008 2.113 1.274 0.564 0.786 0.643 CA 1.397 15 residues pruned to eliminate duplicates Z: 8 4.836 1.606 0.322 0.496 0.857 0.429 CB 1.008 Z: 13 41.178 2.225 1.418 0.930 1.000 0.833 CA 1.546 13 residues pruned to eliminate duplicates Z: 10 4.927 1.476 0.521 0.372 0.778 0.444 CA 1.078 Z: 6 6.622 1.790 0.500 0.421 1.000 0.800 CB 1.197 Z: 21 19.049 1.968 0.730 0.599 0.850 0.500 CB 1.340 21 residues pruned to eliminate duplicates Z: 16 5.670 1.481 0.571 0.346 0.667 0.267 N 1.115 16 residues pruned to eliminate duplicates Z: 14 30.371 2.213 0.930 0.896 1.000 0.538 CB 1.413 14 residues pruned to eliminate duplicates Z: 10 13.889 1.792 1.037 0.573 1.000 0.778 CB 1.182 10 residues pruned to eliminate duplicates Z: 13 48.830 2.383 1.650 0.904 1.000 0.833 CA 1.590 13 residues pruned to eliminate duplicates Z: 7 3.436 1.750 0.586 0.247 0.500 0.500 O 1.354 Z: 15 16.235 1.861 0.336 0.918 0.929 0.857 CB 1.325 15 residues pruned to eliminate duplicates Z: 71 50.084 2.233 0.916 0.538 0.843 0.529 CB 1.599 71 residues pruned to eliminate duplicates Z: 8 5.261 1.684 -0.115 0.797 0.857 0.714 CB 1.199 8 residues pruned to eliminate duplicates Z: 9 4.865 1.674 0.132 0.368 0.875 0.375 N 1.196 Z: 11 10.418 1.777 0.645 0.548 0.900 0.500 CB 1.194 11 residues pruned to eliminate duplicates Z: 6 5.775 1.507 0.517 0.463 1.000 0.600 O 1.173 6 residues pruned to eliminate duplicates Z: 16 20.468 2.000 0.975 0.508 0.933 0.533 CB 1.422 16 residues pruned to eliminate duplicates Z: 17 15.449 1.776 0.420 0.847 0.875 0.812 CB 1.299 17 residues pruned to eliminate duplicates Z: 79 71.278 2.205 1.116 0.688 0.897 0.615 CB 1.623 79 residues pruned to eliminate duplicates Z: 83 52.382 2.149 0.761 0.594 0.939 0.463 CB 1.489 83 residues pruned to eliminate duplicates Z: 9 2.940 1.527 -0.075 0.384 0.750 0.500 CB 1.111 Z: 33 25.013 2.019 0.783 0.597 0.812 0.438 CB 1.378 33 residues pruned to eliminate duplicates Z: 30 14.641 1.711 0.692 0.461 0.828 0.448 CB 1.180 30 residues pruned to eliminate duplicates Z: 18 14.719 1.769 0.444 0.864 0.882 0.647 CB 1.162 18 residues pruned to eliminate duplicates Z: 13 10.461 1.575 0.488 0.784 0.917 0.750 CA 1.095 13 residues pruned to eliminate duplicates Z: 49 36.578 2.141 0.941 0.489 0.917 0.542 CB 1.401 49 residues pruned to eliminate duplicates Z: 36 40.867 2.173 0.933 0.636 0.914 0.714 CA 1.582 36 residues pruned to eliminate duplicates Z: 38 30.012 2.254 0.969 0.478 0.703 0.405 CB 1.618 38 residues pruned to eliminate duplicates Z: 9 14.728 2.025 0.319 0.880 1.000 0.875 CB 1.413 9 residues pruned to eliminate duplicates Z: 18 25.131 2.196 0.782 0.600 0.882 0.529 CA 1.605 18 residues pruned to eliminate duplicates Z: 53 47.389 2.263 1.030 0.575 0.865 0.462 CB 1.537 53 residues pruned to eliminate duplicates Z: 12 21.212 2.032 1.072 0.838 0.818 0.545 CA 1.388 12 residues pruned to eliminate duplicates Z: 10 14.713 1.799 0.520 0.898 1.000 0.778 CB 1.282 10 residues pruned to eliminate duplicates Z: 57 40.108 2.059 0.774 0.564 0.929 0.536 CB 1.484 57 residues pruned to eliminate duplicates Z: 16 25.203 1.888 0.917 0.899 1.000 0.533 CA 1.285 16 residues pruned to eliminate duplicates Z: 8 5.688 1.883 0.069 0.733 1.000 0.714 CB 0.866 Z: 11 11.520 1.870 0.297 0.854 0.900 0.600 CA 1.232 11 residues pruned to eliminate duplicates Z: 13 16.875 2.137 0.323 0.855 1.000 0.917 CA 1.272 13 residues pruned to eliminate duplicates Z: 46 33.508 2.117 0.856 0.529 0.889 0.533 CA 1.389 46 residues pruned to eliminate duplicates Z: 14 18.645 1.864 0.820 0.858 0.923 0.615 CA 1.216 14 residues pruned to eliminate duplicates Z: 14 13.120 1.676 0.463 0.786 0.923 0.769 CA 1.250 14 residues pruned to eliminate duplicates Z: 11 8.281 1.980 0.180 0.555 1.000 0.400 CB 1.063 11 residues pruned to eliminate duplicates Z: 12 13.959 1.992 0.475 0.835 0.818 0.545 CA 1.311 12 residues pruned to eliminate duplicates Z: 29 39.603 2.248 1.001 0.568 1.000 0.750 CB 1.558 29 residues pruned to eliminate duplicates Z: 8 14.626 1.924 0.556 0.858 1.000 0.714 CB 1.360 8 residues pruned to eliminate duplicates Z: 6 6.327 1.579 0.437 0.608 1.000 0.600 CA 1.126 6 residues pruned to eliminate duplicates Z: 6 4.964 1.507 0.743 0.296 0.800 0.600 CA 1.327 Z: 11 24.738 2.156 0.919 0.920 1.000 0.700 CA 1.331 11 residues pruned to eliminate duplicates Z: 11 13.736 2.000 0.907 0.310 0.900 0.600 CB 1.563 11 residues pruned to eliminate duplicates Z: 12 25.984 2.332 0.648 0.899 0.909 0.818 CA 1.603 12 residues pruned to eliminate duplicates Z: 6 3.765 1.471 0.122 0.505 1.000 0.400 CB 1.015 Z: 10 14.363 1.767 0.378 0.914 1.000 1.000 CA 1.391 10 residues pruned to eliminate duplicates Z: 6 11.569 1.980 0.807 0.806 1.000 0.800 CA 1.107 6 residues pruned to eliminate duplicates Z: 35 24.144 1.926 0.460 0.613 0.941 0.735 CB 1.406 35 residues pruned to eliminate duplicates Z: 22 5.930 1.533 0.425 0.195 0.810 0.333 CB 1.052 Z: 8 8.025 1.547 0.446 0.597 1.000 0.714 CB 1.235 8 residues pruned to eliminate duplicates Z: 6 2.882 1.819 -0.021 0.456 0.800 0.600 CB 0.947 Z: 10 17.012 2.265 0.545 0.842 1.000 0.889 CA 1.207 10 residues pruned to eliminate duplicates Z: 18 22.908 1.939 0.713 0.853 0.882 0.706 CA 1.402 18 residues pruned to eliminate duplicates Z: 133 80.973 2.263 0.898 0.633 0.909 0.629 CB 1.594 133 residues pruned to eliminate duplicates Z: 77 36.192 1.994 0.681 0.502 0.882 0.579 CB 1.403 77 residues pruned to eliminate duplicates Z: 42 33.286 2.224 0.797 0.497 0.829 0.585 CB 1.574 42 residues pruned to eliminate duplicates Z: 28 27.285 2.221 1.118 0.403 0.778 0.481 CB 1.589 28 residues pruned to eliminate duplicates Z: 14 24.896 2.113 1.039 0.791 0.923 0.462 CB 1.345 14 residues pruned to eliminate duplicates Z: 33 39.035 2.234 0.932 0.506 0.969 0.688 CA 1.640 33 residues pruned to eliminate duplicates Z: 15 4.618 1.555 0.474 0.241 0.643 0.357 N 1.130 15 residues pruned to eliminate duplicates Z: 26 13.364 1.821 0.713 0.316 0.760 0.480 CB 1.381 26 residues pruned to eliminate duplicates Z: 14 13.781 1.655 0.484 0.844 0.923 0.769 CA 1.255 14 residues pruned to eliminate duplicates 8 1.881 1.425 -0.019 0.617 0.857 0.714 CB 0.532 ? Z: 44 30.718 2.144 0.723 0.463 0.884 0.651 CB 1.489 44 residues pruned to eliminate duplicates Z: 10 22.825 2.177 0.881 0.868 0.889 0.667 CA 1.528 10 residues pruned to eliminate duplicates Z: 15 6.184 1.532 0.443 0.258 0.786 0.571 CB 1.255 Z: 14 6.871 1.795 0.326 0.331 0.846 0.692 CB 1.139 14 residues pruned to eliminate duplicates Z: 14 9.673 1.773 0.278 0.701 0.846 0.615 CA 1.165 14 residues pruned to eliminate duplicates Z: 6 7.485 1.512 0.935 0.804 1.000 0.800 CA 0.877 Z: 10 12.698 1.710 0.371 0.893 1.000 1.000 CB 1.296 10 residues pruned to eliminate duplicates Z: 10 14.850 1.745 0.600 0.928 1.000 0.889 CB 1.241 10 residues pruned to eliminate duplicates Z: 64 48.933 2.247 0.869 0.520 0.921 0.698 CB 1.563 64 residues pruned to eliminate duplicates Z: 128 88.381 2.272 0.978 0.668 0.929 0.622 CB 1.608 128 residues pruned to eliminate duplicates Z: 137 81.935 2.226 0.919 0.625 0.934 0.603 CB 1.565 137 residues pruned to eliminate duplicates Z: 11 14.062 1.744 0.425 0.896 1.000 0.800 CA 1.281 11 residues pruned to eliminate duplicates Z: 10 14.729 1.731 0.447 0.920 1.000 0.889 CA 1.380 10 residues pruned to eliminate duplicates Z: 6 3.352 1.360 0.721 0.586 1.000 0.600 CA 0.590 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 10.372 2.068 0.655 0.448 1.000 0.833 CB 1.305 7 residues pruned to eliminate duplicates Z: 8 7.361 1.811 0.717 0.435 0.857 0.714 CB 1.117 8 residues pruned to eliminate duplicates Z: 8 9.281 1.839 1.038 0.463 0.857 0.714 CB 1.134 8 residues pruned to eliminate duplicates Z: 7 10.299 1.832 0.988 0.506 0.833 0.500 CB 1.377 7 residues pruned to eliminate duplicates Z: 50 28.348 1.915 0.437 0.695 0.918 0.735 CB 1.341 49 residues pruned to eliminate duplicates Z: 14 20.572 1.995 0.543 0.913 1.000 0.923 CB 1.312 14 residues pruned to eliminate duplicates Z: 13 18.612 2.055 0.524 0.827 1.000 0.750 CB 1.293 13 residues pruned to eliminate duplicates Z: 136 49.089 2.008 0.587 0.580 0.889 0.630 CB 1.381 136 residues pruned to eliminate duplicates Z: 93 42.678 1.976 0.677 0.650 0.902 0.652 CB 1.294 93 residues pruned to eliminate duplicates Z: 15 15.880 1.952 0.781 0.735 0.857 0.714 CB 1.153 15 residues pruned to eliminate duplicates Z: 46 26.606 1.890 0.552 0.673 0.933 0.733 CB 1.236 46 residues pruned to eliminate duplicates Z: 14 18.733 1.995 0.804 0.779 0.923 0.846 CB 1.223 14 residues pruned to eliminate duplicates Z: 41 27.604 1.937 0.525 0.693 0.900 0.700 CB 1.377 41 residues pruned to eliminate duplicates Z: 22 16.336 1.821 0.623 0.634 0.857 0.571 CB 1.241 22 residues pruned to eliminate duplicates Z: 40 24.737 1.927 0.432 0.703 0.923 0.744 CB 1.292 40 residues pruned to eliminate duplicates Z: 15 19.234 1.930 0.576 0.751 1.000 0.571 CB 1.351 15 residues pruned to eliminate duplicates Z: 134 94.791 2.307 1.053 0.639 0.925 0.579 CA 1.648 134 residues pruned to eliminate duplicates Z: 28 27.169 2.169 0.726 0.572 0.852 0.630 CB 1.530 28 residues pruned to eliminate duplicates Z: 24 23.181 2.199 0.535 0.554 0.870 0.565 CB 1.562 31 residues pruned to eliminate duplicates Z: 22 8.827 1.702 0.693 0.280 0.714 0.476 CB 1.200 13 residues pruned to eliminate duplicates Z: 21 29.963 2.057 0.669 0.755 1.000 0.750 CA 1.554 21 residues pruned to eliminate duplicates Z: 160 94.948 2.287 0.934 0.616 0.931 0.616 CA 1.640 160 residues pruned to eliminate duplicates Z: 23 27.214 2.198 0.894 0.508 0.909 0.545 CB 1.521 23 residues pruned to eliminate duplicates Z: 131 89.043 2.343 0.949 0.643 0.915 0.608 CA 1.635 131 residues pruned to eliminate duplicates Z: 26 24.751 2.086 0.684 0.582 0.840 0.600 CA 1.550 26 residues pruned to eliminate duplicates Z: 128 91.998 2.315 1.018 0.659 0.913 0.630 CA 1.651 128 residues pruned to eliminate duplicates Z: 110 78.632 2.280 0.940 0.654 0.917 0.688 CA 1.608 110 residues pruned to eliminate duplicates Z: 109 92.507 2.312 1.011 0.714 0.944 0.639 CA 1.669 109 residues pruned to eliminate duplicates Z: 132 95.439 2.330 1.023 0.659 0.924 0.656 CA 1.653 132 residues pruned to eliminate duplicates Z: 128 94.183 2.308 1.000 0.675 0.921 0.630 CA 1.672 128 residues pruned to eliminate duplicates Z: 148 93.591 2.306 1.041 0.624 0.891 0.592 CA 1.637 148 residues pruned to eliminate duplicates Z: 131 99.800 2.327 1.103 0.664 0.915 0.615 CA 1.679 139 residues pruned to eliminate duplicates Z: 18 44.084 2.304 1.068 0.872 1.000 0.765 CA 1.636 18 residues pruned to eliminate duplicates Z: 92 88.994 2.345 1.059 0.712 0.934 0.670 CA 1.706 92 residues pruned to eliminate duplicates Z: 130 98.717 2.343 1.066 0.675 0.922 0.620 CA 1.656 131 residues pruned to eliminate duplicates Z: 19 41.642 2.250 1.065 0.868 1.000 0.667 CA 1.544 19 residues pruned to eliminate duplicates Z: 128 96.220 2.335 1.027 0.656 0.945 0.622 CA 1.652 128 residues pruned to eliminate duplicates Z: 43 36.337 2.233 0.970 0.486 0.833 0.381 CB 1.550 40 residues pruned to eliminate duplicates Z: 20 36.572 2.290 0.918 0.741 1.000 0.737 CA 1.539 20 residues pruned to eliminate duplicates Z: 121 86.100 2.307 0.975 0.661 0.892 0.558 CB 1.665 121 residues pruned to eliminate duplicates Z: 131 91.944 2.297 1.033 0.617 0.915 0.569 CA 1.688 131 residues pruned to eliminate duplicates Z: 15 37.384 2.136 1.062 0.794 1.000 0.786 CA 1.753 15 residues pruned to eliminate duplicates Z: 130 88.757 2.310 0.951 0.657 0.907 0.682 CA 1.652 130 residues pruned to eliminate duplicates Z: 134 98.852 2.336 1.067 0.663 0.925 0.639 CA 1.650 134 residues pruned to eliminate duplicates Z: 79 79.719 2.384 1.015 0.714 0.910 0.718 CA 1.701 79 residues pruned to eliminate duplicates Z: 166 97.777 2.284 0.949 0.610 0.933 0.606 CA 1.651 166 residues pruned to eliminate duplicates Z: 133 93.988 2.329 1.069 0.650 0.894 0.629 CA 1.652 133 residues pruned to eliminate duplicates Z: 134 91.010 2.316 0.966 0.643 0.925 0.571 CA 1.640 134 residues pruned to eliminate duplicates Z: 134 91.589 2.319 1.011 0.642 0.910 0.624 CA 1.639 134 residues pruned to eliminate duplicates Z: 130 82.683 2.276 1.024 0.626 0.876 0.566 CA 1.602 130 residues pruned to eliminate duplicates Z: 117 75.016 2.249 0.905 0.613 0.905 0.569 CA 1.614 117 residues pruned to eliminate duplicates Z: 126 90.017 2.310 0.955 0.668 0.920 0.640 CA 1.659 126 residues pruned to eliminate duplicates Z: 129 88.587 2.323 0.965 0.637 0.914 0.594 CA 1.650 129 residues pruned to eliminate duplicates Z: 132 93.016 2.303 1.035 0.652 0.916 0.580 CA 1.643 132 residues pruned to eliminate duplicates Z: 130 105.365 2.341 1.123 0.665 0.938 0.620 CB 1.708 130 residues pruned to eliminate duplicates Z: 130 91.990 2.314 1.058 0.646 0.899 0.574 CA 1.651 130 residues pruned to eliminate duplicates Z: 138 93.380 2.305 1.059 0.630 0.905 0.620 CA 1.644 138 residues pruned to eliminate duplicates Z: 133 100.848 2.339 1.077 0.648 0.932 0.606 CA 1.690 133 residues pruned to eliminate duplicates Z: 131 89.210 2.318 1.080 0.622 0.900 0.600 CA 1.607 131 residues pruned to eliminate duplicates Z: 129 94.006 2.336 1.010 0.653 0.914 0.664 CA 1.680 129 residues pruned to eliminate duplicates Z: 130 95.805 2.318 1.065 0.659 0.922 0.612 CA 1.649 130 residues pruned to eliminate duplicates Z: 139 92.150 2.310 1.061 0.631 0.913 0.645 CA 1.596 139 residues pruned to eliminate duplicates Z: 133 91.478 2.318 1.004 0.645 0.924 0.606 CA 1.620 133 residues pruned to eliminate duplicates Z: 89 86.501 2.370 1.093 0.717 0.920 0.705 CA 1.660 89 residues pruned to eliminate duplicates Z: 104 87.758 2.362 0.998 0.686 0.922 0.699 CA 1.676 104 residues pruned to eliminate duplicates Z: 123 90.788 2.321 1.014 0.657 0.910 0.656 CA 1.670 123 residues pruned to eliminate duplicates Z: 132 95.759 2.332 1.109 0.657 0.908 0.641 CA 1.619 132 residues pruned to eliminate duplicates Z: 130 96.179 2.325 1.047 0.661 0.938 0.581 CA 1.633 130 residues pruned to eliminate duplicates Z: 144 93.891 2.313 1.061 0.635 0.888 0.608 CA 1.634 147 residues pruned to eliminate duplicates Z: 23 34.494 2.185 0.793 0.790 0.955 0.727 CA 1.525 23 residues pruned to eliminate duplicates Z: 93 78.439 2.311 1.093 0.651 0.935 0.598 CA 1.572 93 residues pruned to eliminate duplicates Z: 123 97.336 2.328 1.090 0.657 0.943 0.607 CA 1.660 123 residues pruned to eliminate duplicates Z: 135 93.363 2.311 1.068 0.648 0.888 0.634 CA 1.655 135 residues pruned to eliminate duplicates Z: 111 89.360 2.304 1.086 0.668 0.900 0.582 CA 1.686 111 residues pruned to eliminate duplicates Z: 145 92.258 2.285 0.986 0.608 0.938 0.667 CB 1.630 145 residues pruned to eliminate duplicates Z: 135 94.771 2.313 1.019 0.643 0.955 0.634 CA 1.606 135 residues pruned to eliminate duplicates Z: 134 96.550 2.334 1.077 0.648 0.895 0.602 CB 1.681 134 residues pruned to eliminate duplicates Z: 97 94.645 2.353 1.110 0.716 0.938 0.635 CB 1.707 97 residues pruned to eliminate duplicates Z: 133 101.765 2.327 1.181 0.642 0.909 0.492 CA 1.681 133 residues pruned to eliminate duplicates Z: 133 97.415 2.309 1.117 0.641 0.909 0.515 CA 1.672 133 residues pruned to eliminate duplicates Z: 87 64.687 2.267 0.961 0.583 0.919 0.581 CA 1.577 87 residues pruned to eliminate duplicates Z: 135 90.749 2.284 1.025 0.638 0.903 0.619 CA 1.649 135 residues pruned to eliminate duplicates Z: 99 96.209 2.354 1.120 0.716 0.959 0.571 CA 1.670 99 residues pruned to eliminate duplicates Z: 133 99.821 2.333 1.091 0.635 0.924 0.523 CA 1.697 133 residues pruned to eliminate duplicates Z: 131 97.538 2.335 1.082 0.653 0.915 0.623 CA 1.667 131 residues pruned to eliminate duplicates Z: 131 101.331 2.321 1.156 0.671 0.923 0.585 CA 1.643 131 residues pruned to eliminate duplicates Z: 160 96.776 2.315 0.979 0.621 0.906 0.616 CA 1.650 160 residues pruned to eliminate duplicates Z: 92 89.918 2.333 1.148 0.710 0.923 0.538 CA 1.684 92 residues pruned to eliminate duplicates Z: 82 82.844 2.316 1.150 0.699 0.926 0.605 CA 1.666 82 residues pruned to eliminate duplicates Z: 133 100.612 2.332 1.124 0.641 0.947 0.598 CA 1.636 130 residues pruned to eliminate duplicates Z: 8 4.795 1.566 0.490 0.568 0.857 0.429 CA 0.848 8 residues pruned to eliminate duplicates Z: 112 84.625 2.316 0.944 0.652 0.910 0.622 CA 1.702 112 residues pruned to eliminate duplicates Z: 131 101.308 2.355 1.115 0.642 0.908 0.608 CA 1.721 131 residues pruned to eliminate duplicates Z: 132 96.888 2.318 1.003 0.657 0.931 0.603 CA 1.692 132 residues pruned to eliminate duplicates Z: 139 97.045 2.298 1.098 0.627 0.942 0.558 CA 1.614 139 residues pruned to eliminate duplicates Z: 42 41.156 2.230 0.848 0.608 0.951 0.659 CB 1.480 42 residues pruned to eliminate duplicates Z: 122 90.234 2.321 0.993 0.668 0.909 0.636 CA 1.671 122 residues pruned to eliminate duplicates Z: 119 98.813 2.320 1.111 0.695 0.932 0.644 CA 1.668 119 residues pruned to eliminate duplicates Z: 131 96.194 2.324 1.117 0.640 0.915 0.554 CA 1.644 132 residues pruned to eliminate duplicates Z: 16 29.602 2.128 0.994 0.804 0.933 0.800 CB 1.480 16 residues pruned to eliminate duplicates Z: 132 97.588 2.324 1.047 0.664 0.924 0.580 CB 1.667 132 residues pruned to eliminate duplicates Z: 131 100.024 2.330 1.145 0.656 0.908 0.631 CA 1.673 131 residues pruned to eliminate duplicates Z: 122 95.133 2.334 1.004 0.673 0.934 0.645 CA 1.687 122 residues pruned to eliminate duplicates Z: 132 98.780 2.346 1.139 0.638 0.901 0.611 CA 1.678 132 residues pruned to eliminate duplicates Z: 125 94.546 2.325 1.086 0.674 0.903 0.565 CA 1.651 125 residues pruned to eliminate duplicates Z: 133 93.190 2.325 1.003 0.639 0.909 0.591 CA 1.681 133 residues pruned to eliminate duplicates Z: 111 92.630 2.342 1.145 0.677 0.909 0.718 CA 1.643 111 residues pruned to eliminate duplicates Z: 38 35.511 2.173 0.919 0.593 0.838 0.486 CB 1.528 38 residues pruned to eliminate duplicates Z: 49 46.414 2.249 1.064 0.543 0.896 0.500 CA 1.546 49 residues pruned to eliminate duplicates Z: 133 98.055 2.328 1.147 0.635 0.902 0.614 CA 1.668 133 residues pruned to eliminate duplicates Z: 133 95.333 2.328 1.131 0.635 0.909 0.636 CA 1.621 133 residues pruned to eliminate duplicates Z: 136 92.012 2.291 1.049 0.616 0.911 0.556 CA 1.659 136 residues pruned to eliminate duplicates Z: 43 33.829 2.154 0.966 0.504 0.833 0.548 CA 1.473 43 residues pruned to eliminate duplicates Z: 130 91.074 2.304 1.045 0.641 0.907 0.597 CA 1.645 130 residues pruned to eliminate duplicates Z: 134 95.402 2.320 1.097 0.647 0.895 0.579 CA 1.656 134 residues pruned to eliminate duplicates Z: 134 93.148 2.277 1.016 0.646 0.910 0.617 CA 1.688 134 residues pruned to eliminate duplicates Z: 134 90.200 2.302 1.110 0.635 0.880 0.511 CB 1.613 134 residues pruned to eliminate duplicates Z: 134 100.536 2.325 1.103 0.652 0.932 0.579 CA 1.659 134 residues pruned to eliminate duplicates Z: 30 41.983 2.288 1.188 0.555 0.897 0.448 CA 1.647 30 residues pruned to eliminate duplicates Z: 36 38.681 2.227 1.211 0.529 0.857 0.514 CB 1.505 36 residues pruned to eliminate duplicates Z: 119 92.047 2.291 1.047 0.664 0.932 0.568 CA 1.666 119 residues pruned to eliminate duplicates Z: 124 101.583 2.353 1.120 0.678 0.919 0.626 CA 1.697 124 residues pruned to eliminate duplicates Z: 47 35.329 2.139 0.949 0.554 0.891 0.457 CB 1.331 47 residues pruned to eliminate duplicates Z: 13 14.361 2.125 0.698 0.691 0.667 0.333 CA 1.448 13 residues pruned to eliminate duplicates Z: 33 25.721 2.118 0.780 0.470 0.812 0.438 CB 1.530 33 residues pruned to eliminate duplicates Z: 128 94.169 2.325 1.057 0.653 0.898 0.575 CB 1.688 128 residues pruned to eliminate duplicates Z: 54 35.343 2.191 0.864 0.487 0.830 0.415 CB 1.450 54 residues pruned to eliminate duplicates Z: 37 28.307 2.214 0.879 0.511 0.750 0.444 CB 1.495 37 residues pruned to eliminate duplicates Z: 21 23.891 2.153 0.813 0.453 0.950 0.400 CA 1.512 21 residues pruned to eliminate duplicates Z: 162 94.705 2.237 1.012 0.630 0.913 0.516 CB 1.607 162 residues pruned to eliminate duplicates Z: 37 30.709 2.210 0.895 0.549 0.806 0.472 CB 1.445 37 residues pruned to eliminate duplicates Z: 131 79.455 2.247 1.120 0.574 0.869 0.485 CB 1.568 131 residues pruned to eliminate duplicates Z: 132 91.600 2.316 1.083 0.636 0.878 0.519 CB 1.663 132 residues pruned to eliminate duplicates Z: 133 91.666 2.312 0.972 0.642 0.939 0.583 CA 1.631 133 residues pruned to eliminate duplicates Z: 136 89.027 2.288 1.045 0.612 0.896 0.533 CA 1.644 136 residues pruned to eliminate duplicates Z: 130 97.974 2.312 1.092 0.662 0.938 0.558 CB 1.636 130 residues pruned to eliminate duplicates Z: 128 97.652 2.314 1.074 0.672 0.921 0.441 CA 1.673 128 residues pruned to eliminate duplicates Z: 134 93.988 2.317 1.088 0.639 0.887 0.549 CA 1.666 134 residues pruned to eliminate duplicates Z: 128 95.176 2.309 1.107 0.664 0.890 0.575 CA 1.676 128 residues pruned to eliminate duplicates Z: 80 70.377 2.311 1.088 0.633 0.899 0.620 CA 1.611 80 residues pruned to eliminate duplicates Z: 31 36.044 2.234 0.945 0.606 0.900 0.433 CA 1.522 31 residues pruned to eliminate duplicates Z: 32 33.243 2.165 1.012 0.548 0.903 0.484 CA 1.448 32 residues pruned to eliminate duplicates Z: 36 30.193 2.198 0.936 0.431 0.829 0.400 CA 1.555 36 residues pruned to eliminate duplicates Z: 136 95.667 2.310 1.043 0.634 0.933 0.533 CA 1.648 136 residues pruned to eliminate duplicates Z: 76 60.433 2.315 0.910 0.552 0.907 0.493 CA 1.654 76 residues pruned to eliminate duplicates Z: 73 40.581 2.036 0.683 0.517 0.931 0.458 CB 1.475 73 residues pruned to eliminate duplicates Z: 55 44.486 2.219 0.787 0.561 0.944 0.593 CB 1.524 55 residues pruned to eliminate duplicates Z: 71 55.422 2.281 0.823 0.574 0.914 0.543 CA 1.623 71 residues pruned to eliminate duplicates Z: 29 28.080 2.224 0.712 0.472 0.857 0.464 CA 1.674 29 residues pruned to eliminate duplicates Z: 69 42.224 2.134 0.783 0.545 0.897 0.544 CB 1.436 69 residues pruned to eliminate duplicates Z: 43 41.457 2.304 0.732 0.546 0.929 0.571 CA 1.651 43 residues pruned to eliminate duplicates Z: 49 44.063 2.247 0.745 0.521 0.979 0.604 CA 1.622 49 residues pruned to eliminate duplicates Z: 56 49.456 2.233 0.861 0.555 0.964 0.600 CB 1.579 56 residues pruned to eliminate duplicates Z: 65 47.485 2.271 0.692 0.521 0.938 0.594 CB 1.614 65 residues pruned to eliminate duplicates Z: 57 46.691 2.252 0.780 0.551 0.929 0.589 CB 1.595 57 residues pruned to eliminate duplicates Z: 54 48.431 2.295 0.797 0.568 0.925 0.509 CA 1.633 54 residues pruned to eliminate duplicates Z: 43 50.170 2.350 1.006 0.565 0.929 0.643 CA 1.661 43 residues pruned to eliminate duplicates Z: 52 44.926 2.287 0.735 0.510 0.961 0.647 CB 1.634 52 residues pruned to eliminate duplicates Z: 32 39.363 2.284 0.797 0.548 1.000 0.581 CA 1.644 32 residues pruned to eliminate duplicates Z: 45 38.563 2.261 0.653 0.533 0.955 0.636 CA 1.577 45 residues pruned to eliminate duplicates Z: 42 37.706 2.337 0.579 0.556 0.902 0.634 CA 1.674 42 residues pruned to eliminate duplicates Z: 47 36.184 2.273 0.659 0.516 0.891 0.630 CA 1.562 47 residues pruned to eliminate duplicates Z: 42 47.560 2.350 0.929 0.585 0.951 0.707 CA 1.588 42 residues pruned to eliminate duplicates Z: 45 47.387 2.340 0.867 0.556 0.932 0.659 CA 1.662 45 residues pruned to eliminate duplicates Z: 67 48.937 2.176 0.766 0.567 0.955 0.591 CB 1.539 67 residues pruned to eliminate duplicates Z: 55 44.319 2.237 0.761 0.556 0.944 0.685 CA 1.535 55 residues pruned to eliminate duplicates Z: 55 49.166 2.287 0.832 0.557 0.944 0.630 CA 1.599 55 residues pruned to eliminate duplicates Z: 67 48.009 2.247 0.705 0.523 0.955 0.667 CB 1.580 67 residues pruned to eliminate duplicates Z: 65 49.445 2.227 0.730 0.541 0.969 0.688 CA 1.591 65 residues pruned to eliminate duplicates Z: 44 38.320 2.252 0.718 0.574 0.884 0.721 CA 1.591 44 residues pruned to eliminate duplicates Z: 32 42.972 2.347 1.027 0.539 0.935 0.677 CB 1.670 32 residues pruned to eliminate duplicates Z: 63 53.185 2.270 0.862 0.522 0.968 0.613 CB 1.615 63 residues pruned to eliminate duplicates Z: 186 101.099 2.245 1.064 0.592 0.903 0.627 CA 1.628 270 residues pruned to eliminate duplicates Z: 13 24.724 2.229 0.593 0.821 1.000 0.917 CA 1.522 13 residues pruned to eliminate duplicates Z: 67 46.261 2.231 0.811 0.505 0.924 0.667 CB 1.518 67 residues pruned to eliminate duplicates Z: 53 43.416 2.203 0.867 0.506 0.942 0.654 CA 1.544 53 residues pruned to eliminate duplicates Z: 57 44.945 2.260 0.728 0.538 0.929 0.571 CA 1.595 57 residues pruned to eliminate duplicates Z: 45 49.733 2.323 1.042 0.573 0.909 0.614 CB 1.619 45 residues pruned to eliminate duplicates Z: 67 52.613 2.247 0.878 0.516 0.955 0.682 CB 1.583 67 residues pruned to eliminate duplicates Z: 45 47.599 2.283 1.017 0.558 0.932 0.659 CB 1.580 45 residues pruned to eliminate duplicates Z: 43 49.494 2.332 0.994 0.587 0.976 0.690 CA 1.547 43 residues pruned to eliminate duplicates Z: 8 7.950 2.069 0.880 0.387 0.714 0.571 CB 1.219 8 residues pruned to eliminate duplicates Z: 40 52.616 2.363 1.039 0.628 0.974 0.667 CA 1.591 40 residues pruned to eliminate duplicates Z: 43 48.571 2.351 0.896 0.588 0.952 0.667 CA 1.623 43 residues pruned to eliminate duplicates Z: 69 46.788 2.224 0.733 0.499 0.956 0.588 CB 1.542 69 residues pruned to eliminate duplicates Z: 55 42.102 2.243 0.839 0.500 0.907 0.611 CB 1.531 55 residues pruned to eliminate duplicates Z: 67 49.049 2.225 0.838 0.495 0.955 0.515 CB 1.554 67 residues pruned to eliminate duplicates Z: 67 45.453 2.205 0.907 0.512 0.894 0.515 CB 1.471 67 residues pruned to eliminate duplicates Z: 80 47.001 2.150 0.802 0.492 0.911 0.620 CB 1.510 80 residues pruned to eliminate duplicates Z: 53 42.480 2.210 0.871 0.494 0.962 0.596 CB 1.490 53 residues pruned to eliminate duplicates Z: 66 51.235 2.268 0.979 0.493 0.923 0.615 CB 1.546 66 residues pruned to eliminate duplicates Z: 57 41.607 2.152 0.900 0.433 0.964 0.554 CB 1.512 57 residues pruned to eliminate duplicates Z: 67 49.867 2.206 0.964 0.524 0.909 0.591 CB 1.521 67 residues pruned to eliminate duplicates Z: 26 18.724 2.127 0.595 0.360 0.960 0.520 CB 1.337 26 residues pruned to eliminate duplicates Z: 67 47.698 2.260 0.801 0.500 0.909 0.652 CB 1.587 67 residues pruned to eliminate duplicates Z: 66 40.617 2.212 0.832 0.480 0.831 0.523 CB 1.528 66 residues pruned to eliminate duplicates Z: 22 18.852 2.079 0.556 0.428 1.000 0.619 CB 1.370 22 residues pruned to eliminate duplicates Z: 24 16.894 2.064 0.593 0.335 0.913 0.522 CB 1.406 24 residues pruned to eliminate duplicates Z: 65 51.027 2.249 0.888 0.515 0.906 0.562 CA 1.634 65 residues pruned to eliminate duplicates Z: 32 18.912 1.959 0.583 0.372 0.871 0.548 CB 1.443 32 residues pruned to eliminate duplicates Z: 22 19.015 2.058 0.673 0.395 0.952 0.619 CB 1.413 22 residues pruned to eliminate duplicates Z: 34 21.133 1.920 0.615 0.490 0.879 0.667 CB 1.364 34 residues pruned to eliminate duplicates Z: 66 53.408 2.250 0.935 0.517 0.938 0.708 CB 1.594 66 residues pruned to eliminate duplicates Z: 67 50.512 2.217 0.887 0.513 0.939 0.667 CB 1.561 67 residues pruned to eliminate duplicates Z: 65 50.196 2.253 0.818 0.523 0.953 0.594 CB 1.572 65 residues pruned to eliminate duplicates Z: 67 48.982 2.205 0.998 0.520 0.879 0.530 CB 1.527 67 residues pruned to eliminate duplicates Z: 68 50.254 2.208 0.907 0.532 0.925 0.627 CB 1.527 68 residues pruned to eliminate duplicates Z: 26 25.458 1.886 0.571 0.768 0.960 0.720 CA 1.412 26 residues pruned to eliminate duplicates Z: 23 20.860 1.869 0.637 0.702 0.909 0.727 CA 1.330 23 residues pruned to eliminate duplicates Z: 47 26.918 1.913 0.541 0.680 0.913 0.609 CB 1.250 47 residues pruned to eliminate duplicates Z: 48 31.823 1.941 0.516 0.695 0.957 0.766 CB 1.379 48 residues pruned to eliminate duplicates Z: 75 34.258 1.913 0.580 0.639 0.905 0.595 CB 1.278 75 residues pruned to eliminate duplicates Z: 16 22.399 1.977 0.557 0.907 1.000 0.800 CA 1.335 16 residues pruned to eliminate duplicates Z: 52 28.430 1.897 0.546 0.644 0.941 0.706 CB 1.261 52 residues pruned to eliminate duplicates Z: 19 28.792 2.000 0.950 0.781 0.944 0.667 CB 1.438 19 residues pruned to eliminate duplicates Z: 46 28.119 1.906 0.568 0.696 0.911 0.667 CB 1.287 46 residues pruned to eliminate duplicates Z: 40 31.648 1.957 0.670 0.698 0.949 0.564 CB 1.365 40 residues pruned to eliminate duplicates Z: 90 42.939 1.997 0.716 0.651 0.865 0.629 CB 1.334 90 residues pruned to eliminate duplicates Z: 42 28.117 1.920 0.581 0.697 0.951 0.610 CB 1.270 42 residues pruned to eliminate duplicates Z: 90 37.695 1.836 0.623 0.669 0.921 0.539 CB 1.245 89 residues pruned to eliminate duplicates Z: 18 28.812 1.919 0.914 0.866 1.000 0.647 CA 1.393 18 residues pruned to eliminate duplicates Z: 63 36.391 1.938 0.772 0.682 0.903 0.565 CB 1.261 63 residues pruned to eliminate duplicates Z: 78 35.053 1.939 0.547 0.667 0.922 0.675 CB 1.238 78 residues pruned to eliminate duplicates Z: 58 33.969 1.913 0.756 0.660 0.912 0.649 CB 1.266 58 residues pruned to eliminate duplicates Z: 42 30.396 1.933 0.625 0.717 0.927 0.537 CB 1.340 42 residues pruned to eliminate duplicates Z: 59 28.607 1.838 0.535 0.680 0.897 0.621 CB 1.258 59 residues pruned to eliminate duplicates Z: 11 5.722 1.609 0.214 0.525 0.900 0.600 CB 1.004 11 residues pruned to eliminate duplicates Z: 53 28.479 1.848 0.559 0.645 0.942 0.596 CB 1.271 53 residues pruned to eliminate duplicates Z: 11 6.323 1.628 0.284 0.510 0.900 0.500 CB 1.052 11 residues pruned to eliminate duplicates Z: 29 19.283 1.821 0.574 0.639 0.964 0.679 CB 1.158 29 residues pruned to eliminate duplicates Z: 109 40.622 1.955 0.700 0.499 0.907 0.602 CB 1.298 109 residues pruned to eliminate duplicates Z: 93 44.182 1.973 0.678 0.645 0.946 0.576 CB 1.285 93 residues pruned to eliminate duplicates Z: 50 27.474 1.881 0.633 0.672 0.878 0.551 CB 1.243 50 residues pruned to eliminate duplicates Z: 31 19.235 1.864 0.534 0.628 0.900 0.467 CB 1.210 31 residues pruned to eliminate duplicates Z: 39 29.052 1.942 0.799 0.662 0.947 0.474 CB 1.226 39 residues pruned to eliminate duplicates Z: 80 29.822 1.885 0.704 0.532 0.823 0.506 CB 1.231 80 residues pruned to eliminate duplicates Z: 23 18.932 1.859 0.854 0.638 0.864 0.591 CB 1.191 23 residues pruned to eliminate duplicates Z: 23 20.041 1.892 0.822 0.717 0.909 0.682 CB 1.121 23 residues pruned to eliminate duplicates Z: 34 23.549 1.910 0.621 0.678 0.879 0.636 CB 1.278 34 residues pruned to eliminate duplicates Z: 75 39.591 1.955 0.615 0.705 0.932 0.676 CB 1.298 75 residues pruned to eliminate duplicates Z: 19 17.486 1.930 0.639 0.692 0.889 0.778 CB 1.229 19 residues pruned to eliminate duplicates Z: 63 27.455 1.923 0.717 0.536 0.839 0.629 CB 1.216 63 residues pruned to eliminate duplicates Z: 24 16.172 1.878 0.646 0.621 0.870 0.696 CB 1.119 24 residues pruned to eliminate duplicates Z: 47 30.514 1.977 0.659 0.604 0.913 0.717 CB 1.360 47 residues pruned to eliminate duplicates Z: 21 20.289 1.881 0.796 0.670 0.950 0.700 CB 1.209 21 residues pruned to eliminate duplicates Z: 62 29.564 1.955 0.622 0.593 0.885 0.623 CB 1.234 62 residues pruned to eliminate duplicates Z: 92 44.116 1.964 0.769 0.611 0.912 0.571 CB 1.314 92 residues pruned to eliminate duplicates Z: 53 31.762 1.996 0.765 0.592 0.885 0.519 CB 1.295 53 residues pruned to eliminate duplicates Z: 121 45.584 1.933 0.740 0.619 0.900 0.542 CB 1.229 122 residues pruned to eliminate duplicates Z: 12 13.857 1.998 0.376 0.829 0.818 0.727 CB 1.397 12 residues pruned to eliminate duplicates Z: 30 26.285 2.072 0.783 0.542 0.862 0.586 CB 1.471 30 residues pruned to eliminate duplicates Z: 35 25.319 1.979 0.767 0.532 0.912 0.500 CB 1.320 35 residues pruned to eliminate duplicates Z: 34 22.221 1.995 0.770 0.536 0.879 0.576 CB 1.204 34 residues pruned to eliminate duplicates Z: 10 18.656 1.992 0.737 0.804 0.889 0.667 CA 1.550 10 residues pruned to eliminate duplicates Z: 18 12.546 1.865 0.350 0.713 0.765 0.471 CB 1.303 18 residues pruned to eliminate duplicates Z: 14 20.106 1.976 0.974 0.685 0.923 0.462 CB 1.307 14 residues pruned to eliminate duplicates Z: 29 27.952 2.100 0.884 0.585 0.857 0.607 CB 1.435 29 residues pruned to eliminate duplicates Z: 16 18.315 1.941 0.795 0.602 0.800 0.533 CB 1.539 16 residues pruned to eliminate duplicates Z: 18 19.964 1.955 0.691 0.682 1.000 0.588 CB 1.239 18 residues pruned to eliminate duplicates Z: 37 19.757 1.968 0.628 0.518 0.833 0.500 CB 1.211 37 residues pruned to eliminate duplicates Z: 31 27.555 2.024 0.820 0.592 0.900 0.600 CB 1.389 31 residues pruned to eliminate duplicates Z: 36 20.180 1.917 0.706 0.523 0.886 0.514 CB 1.152 36 residues pruned to eliminate duplicates Z: 38 22.523 1.941 0.676 0.507 0.919 0.541 CB 1.230 38 residues pruned to eliminate duplicates Z: 31 21.566 1.960 0.677 0.591 0.800 0.433 CB 1.373 31 residues pruned to eliminate duplicates Z: 20 21.012 2.076 0.767 0.485 0.895 0.526 CB 1.491 20 residues pruned to eliminate duplicates Z: 20 21.905 2.032 1.000 0.465 0.895 0.684 CB 1.431 20 residues pruned to eliminate duplicates Z: 20 22.566 2.093 0.801 0.504 0.947 0.526 CB 1.444 20 residues pruned to eliminate duplicates Z: 32 25.977 2.025 0.907 0.585 0.839 0.548 CB 1.328 32 residues pruned to eliminate duplicates Z: 35 23.767 1.998 0.856 0.514 0.824 0.559 CB 1.316 35 residues pruned to eliminate duplicates Z: 27 27.852 2.048 0.887 0.602 0.923 0.423 CB 1.389 27 residues pruned to eliminate duplicates Z: 21 16.503 1.990 0.820 0.442 0.850 0.600 CB 1.272 21 residues pruned to eliminate duplicates Z: 19 21.975 2.155 0.859 0.515 0.833 0.500 CB 1.529 19 residues pruned to eliminate duplicates Z: 13 20.818 2.166 1.073 0.450 0.917 0.500 CB 1.538 13 residues pruned to eliminate duplicates Z: 59 24.624 1.893 0.659 0.491 0.810 0.517 CB 1.282 59 residues pruned to eliminate duplicates Z: 35 20.122 1.968 0.693 0.485 0.824 0.441 CB 1.276 35 residues pruned to eliminate duplicates Z: 17 12.566 1.961 0.521 0.384 0.938 0.625 CB 1.271 17 residues pruned to eliminate duplicates Z: 54 39.901 2.131 0.882 0.543 0.868 0.528 CB 1.509 54 residues pruned to eliminate duplicates Z: 77 38.425 2.101 0.616 0.518 0.855 0.579 CB 1.491 77 residues pruned to eliminate duplicates Z: 46 30.593 2.124 0.579 0.532 0.867 0.578 CB 1.521 46 residues pruned to eliminate duplicates Z: 20 24.891 2.309 0.838 0.466 0.842 0.474 CA 1.655 20 residues pruned to eliminate duplicates Z: 25 31.060 2.323 0.722 0.488 0.917 0.625 CA 1.749 25 residues pruned to eliminate duplicates Z: 52 31.608 2.022 0.555 0.554 0.941 0.686 CB 1.419 52 residues pruned to eliminate duplicates Z: 33 26.293 2.161 0.641 0.492 0.875 0.562 CB 1.510 33 residues pruned to eliminate duplicates Z: 74 41.596 2.106 0.629 0.553 0.904 0.630 CB 1.492 74 residues pruned to eliminate duplicates Z: 45 37.946 2.175 0.684 0.570 0.977 0.659 CB 1.494 45 residues pruned to eliminate duplicates Z: 47 33.747 2.144 0.614 0.524 0.935 0.609 CB 1.502 47 residues pruned to eliminate duplicates Z: 44 38.556 2.183 0.741 0.558 0.953 0.581 CB 1.534 44 residues pruned to eliminate duplicates Z: 51 34.752 2.102 0.770 0.463 0.940 0.440 CB 1.459 59 residues pruned to eliminate duplicates Z: 15 32.879 2.240 1.103 0.790 0.929 0.714 CA 1.558 15 residues pruned to eliminate duplicates Z: 41 33.335 2.225 0.752 0.484 0.825 0.625 CB 1.665 41 residues pruned to eliminate duplicates Z: 44 35.606 2.213 0.664 0.560 0.907 0.698 CB 1.534 60 residues pruned to eliminate duplicates Z: 14 32.986 2.347 1.222 0.772 0.846 0.538 CB 1.631 14 residues pruned to eliminate duplicates Z: 64 38.102 2.071 0.751 0.483 0.889 0.587 CB 1.515 61 residues pruned to eliminate duplicates Z: 17 33.971 2.257 1.123 0.662 0.938 0.500 CA 1.627 17 residues pruned to eliminate duplicates Z: 45 37.171 2.148 0.753 0.583 0.932 0.659 CB 1.474 47 residues pruned to eliminate duplicates Z: 8 9.389 1.897 0.569 0.534 0.857 0.857 CA 1.345 8 residues pruned to eliminate duplicates Z: 44 35.833 2.169 0.611 0.534 0.953 0.674 CB 1.587 44 residues pruned to eliminate duplicates Z: 43 41.058 2.187 0.762 0.581 0.976 0.667 CB 1.558 43 residues pruned to eliminate duplicates Z: 41 40.650 2.239 0.866 0.501 0.925 0.700 CB 1.662 41 residues pruned to eliminate duplicates Z: 47 38.080 2.146 0.730 0.558 0.935 0.717 CB 1.529 47 residues pruned to eliminate duplicates Z: 12 17.521 2.011 0.397 0.830 1.000 0.909 CA 1.414 12 residues pruned to eliminate duplicates Z: 72 45.023 2.130 0.718 0.562 0.915 0.718 CB 1.502 72 residues pruned to eliminate duplicates Z: 20 21.059 1.933 0.630 0.579 1.000 0.632 CB 1.421 20 residues pruned to eliminate duplicates Z: 56 34.678 2.045 0.814 0.541 0.891 0.545 CB 1.359 56 residues pruned to eliminate duplicates Z: 44 40.974 2.175 0.781 0.563 0.977 0.628 CB 1.553 44 residues pruned to eliminate duplicates Z: 105 48.500 2.020 0.738 0.551 0.923 0.615 CB 1.396 105 residues pruned to eliminate duplicates Z: 46 25.467 2.095 0.611 0.508 0.800 0.511 CB 1.395 46 residues pruned to eliminate duplicates Z: 44 38.781 2.133 0.856 0.559 0.907 0.651 CB 1.555 44 residues pruned to eliminate duplicates Z: 43 42.405 2.197 0.825 0.571 0.952 0.714 CB 1.600 44 residues pruned to eliminate duplicates Z: 11 24.244 2.068 1.146 0.811 0.900 0.600 CA 1.464 11 residues pruned to eliminate duplicates Z: 94 45.256 2.072 0.812 0.532 0.860 0.591 CB 1.409 94 residues pruned to eliminate duplicates Z: 77 46.034 2.096 0.873 0.550 0.882 0.618 CB 1.452 76 residues pruned to eliminate duplicates Z: 7 5.229 1.746 0.765 0.299 0.833 0.500 CA 1.041 7 residues pruned to eliminate duplicates Z: 135 58.958 2.033 0.752 0.600 0.948 0.582 CB 1.371 135 residues pruned to eliminate duplicates Z: 61 46.706 2.133 0.880 0.520 0.967 0.617 CB 1.525 61 residues pruned to eliminate duplicates Z: 17 9.724 1.689 0.193 0.571 1.000 0.375 CB 1.127 15 residues pruned to eliminate duplicates Z: 9 5.913 1.591 0.258 0.630 0.875 0.375 CB 1.057 9 residues pruned to eliminate duplicates Z: 41 15.712 1.842 0.489 0.467 0.900 0.600 CB 1.040 41 residues pruned to eliminate duplicates Z: 67 32.760 1.988 0.717 0.510 0.909 0.545 CB 1.286 67 residues pruned to eliminate duplicates Z: 23 8.936 1.748 0.282 0.382 0.909 0.545 CB 1.061 23 residues pruned to eliminate duplicates Z: 24 9.505 1.742 0.379 0.365 0.913 0.565 CB 1.045 26 residues pruned to eliminate duplicates Z: 7 3.874 1.675 -0.035 0.745 0.667 0.000 CB 1.179 7 residues pruned to eliminate duplicates Z: 15 8.473 1.655 0.487 0.491 0.929 0.571 CB 1.000 14 residues pruned to eliminate duplicates Z: 14 13.272 1.624 0.644 0.806 0.923 0.462 CA 1.144 14 residues pruned to eliminate duplicates Z: 13 14.946 1.698 0.596 0.863 1.000 0.583 CB 1.168 13 residues pruned to eliminate duplicates Z: 12 16.576 1.792 0.684 0.865 1.000 0.545 CB 1.214 12 residues pruned to eliminate duplicates Z: 14 11.653 1.871 0.455 0.645 0.769 0.462 CB 1.348 14 residues pruned to eliminate duplicates Z: 18 8.317 1.684 0.442 0.557 0.647 0.412 CB 1.214 18 residues pruned to eliminate duplicates Z: 13 12.114 1.842 0.437 0.699 0.833 0.667 CB 1.322 13 residues pruned to eliminate duplicates Z: 14 8.472 1.763 0.253 0.640 0.769 0.462 CB 1.213 14 residues pruned to eliminate duplicates Z: 15 9.585 1.751 0.209 0.590 0.929 0.571 CA 1.195 15 residues pruned to eliminate duplicates Z: 69 25.718 1.908 0.383 0.493 0.897 0.588 CB 1.327 69 residues pruned to eliminate duplicates Z: 67 26.755 1.904 0.512 0.487 0.879 0.636 CB 1.320 67 residues pruned to eliminate duplicates Z: 17 12.234 1.775 0.398 0.618 0.938 0.625 CB 1.176 17 residues pruned to eliminate duplicates Z: 43 24.881 1.867 0.678 0.585 0.881 0.619 CB 1.283 43 residues pruned to eliminate duplicates Z: 40 18.238 1.868 0.535 0.487 0.821 0.590 CB 1.258 40 residues pruned to eliminate duplicates Z: 23 14.964 1.784 0.538 0.547 0.909 0.773 CA 1.222 23 residues pruned to eliminate duplicates Z: 51 26.808 1.962 0.573 0.496 0.920 0.640 CB 1.340 51 residues pruned to eliminate duplicates Z: 45 26.509 1.912 0.592 0.552 0.955 0.568 CB 1.307 47 residues pruned to eliminate duplicates Z: 7 6.822 1.584 0.681 0.535 1.000 0.667 CA 1.011 7 residues pruned to eliminate duplicates Z: 25 20.277 1.853 0.930 0.528 0.917 0.583 CB 1.228 25 residues pruned to eliminate duplicates Z: 53 27.093 1.905 0.622 0.493 0.904 0.615 CB 1.355 53 residues pruned to eliminate duplicates Z: 65 29.002 1.910 0.561 0.540 0.875 0.578 CB 1.336 64 residues pruned to eliminate duplicates Z: 15 21.300 1.901 0.660 0.752 1.000 0.643 CA 1.441 15 residues pruned to eliminate duplicates Z: 67 28.517 1.901 0.512 0.505 0.924 0.621 CB 1.315 67 residues pruned to eliminate duplicates Z: 24 22.399 1.939 0.757 0.565 0.957 0.652 CB 1.345 24 residues pruned to eliminate duplicates Z: 51 28.434 1.950 0.699 0.482 0.940 0.560 CB 1.315 51 residues pruned to eliminate duplicates Z: 67 28.584 1.897 0.534 0.500 0.909 0.606 CB 1.330 67 residues pruned to eliminate duplicates Z: 69 27.512 1.890 0.518 0.507 0.882 0.603 CB 1.308 69 residues pruned to eliminate duplicates Z: 96 40.503 1.977 0.634 0.516 0.926 0.579 CB 1.367 96 residues pruned to eliminate duplicates Z: 30 13.987 1.874 0.443 0.377 0.862 0.345 CB 1.270 30 residues pruned to eliminate duplicates Z: 31 17.636 1.816 0.542 0.399 0.967 0.500 CB 1.323 31 residues pruned to eliminate duplicates Z: 53 28.181 1.924 0.671 0.503 0.942 0.558 CB 1.286 53 residues pruned to eliminate duplicates Z: 33 16.523 1.829 0.484 0.386 0.875 0.531 CB 1.387 33 residues pruned to eliminate duplicates Z: 113 47.304 2.013 0.712 0.514 0.893 0.527 CB 1.433 122 residues pruned to eliminate duplicates Z: 11 11.640 2.043 0.206 0.689 0.800 0.600 CB 1.571 11 residues pruned to eliminate duplicates Z: 15 16.531 2.056 0.541 0.619 0.929 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 16 16.952 2.020 0.343 0.612 1.000 0.733 CB 1.451 16 residues pruned to eliminate duplicates Z: 17 15.574 1.978 0.425 0.591 0.875 0.625 CB 1.446 17 residues pruned to eliminate duplicates Z: 16 13.010 1.949 0.362 0.553 0.867 0.733 CA 1.386 16 residues pruned to eliminate duplicates Z: 28 19.509 1.980 0.398 0.484 0.963 0.593 CB 1.431 28 residues pruned to eliminate duplicates Z: 15 21.420 2.000 0.664 0.633 1.000 0.643 CA 1.518 15 residues pruned to eliminate duplicates Z: 26 21.545 1.965 0.514 0.485 1.000 0.680 CB 1.470 26 residues pruned to eliminate duplicates Z: 16 14.618 1.948 0.401 0.620 0.933 0.667 CB 1.323 16 residues pruned to eliminate duplicates Z: 21 27.177 2.286 0.769 0.583 0.850 0.550 CB 1.632 Z: 12 28.075 2.365 0.826 0.870 0.909 0.545 CA 1.574 12 residues pruned to eliminate duplicates Z: 148 79.912 2.220 0.878 0.629 0.918 0.626 CB 1.524 19 residues pruned to eliminate duplicates Z: 13 36.178 2.394 0.896 0.860 1.000 0.500 CA 1.692 13 residues pruned to eliminate duplicates Z: 61 36.858 2.170 0.843 0.458 0.817 0.417 CB 1.521 61 residues pruned to eliminate duplicates Z: 151 89.412 2.287 0.979 0.638 0.887 0.627 CB 1.598 150 residues pruned to eliminate duplicates Z: 12 29.422 2.294 0.976 0.825 0.909 0.364 CA 1.624 12 residues pruned to eliminate duplicates Z: 154 82.706 2.227 0.957 0.629 0.856 0.484 CB 1.588 156 residues pruned to eliminate duplicates Z: 12 18.308 2.110 0.651 0.856 0.818 0.455 CB 1.428 12 residues pruned to eliminate duplicates Z: 141 73.287 2.180 0.909 0.632 0.857 0.607 CB 1.534 141 residues pruned to eliminate duplicates Z: 35 25.202 2.182 0.851 0.515 0.824 0.500 CB 1.280 35 residues pruned to eliminate duplicates Z: 38 29.018 2.089 0.887 0.501 0.838 0.514 CB 1.443 38 residues pruned to eliminate duplicates Z: 6 5.780 1.865 0.403 0.675 0.800 0.200 CB 1.051 6 residues pruned to eliminate duplicates Z: 6 5.252 1.877 0.371 0.640 0.800 0.200 CB 1.001 6 residues pruned to eliminate duplicates Z: 11 4.076 1.728 0.402 0.328 0.800 0.300 CB 0.803 11 residues pruned to eliminate duplicates Z: 41 26.979 2.032 0.939 0.507 0.850 0.500 CB 1.265 41 residues pruned to eliminate duplicates Z: 45 30.541 2.109 0.902 0.508 0.864 0.341 CB 1.319 42 residues pruned to eliminate duplicates Z: 7 8.288 1.841 1.150 0.455 0.833 0.500 CA 1.074 7 residues pruned to eliminate duplicates Z: 23 20.083 2.237 0.828 0.463 0.864 0.591 CB 1.259 23 residues pruned to eliminate duplicates Z: 136 78.389 2.224 0.914 0.638 0.919 0.674 CB 1.517 136 residues pruned to eliminate duplicates Z: 134 76.166 2.237 0.877 0.633 0.895 0.594 CB 1.551 134 residues pruned to eliminate duplicates Z: 24 8.708 1.877 0.719 0.250 0.783 0.435 CB 0.959 24 residues pruned to eliminate duplicates Z: 37 37.277 2.249 0.938 0.590 0.861 0.500 CB 1.519 37 residues pruned to eliminate duplicates Z: 61 46.936 2.156 0.843 0.633 0.883 0.600 CA 1.523 61 residues pruned to eliminate duplicates Z: 36 36.960 2.246 0.832 0.621 0.886 0.486 CA 1.529 36 residues pruned to eliminate duplicates Z: 106 73.352 2.268 0.874 0.656 0.914 0.686 CB 1.593 106 residues pruned to eliminate duplicates Z: 113 83.766 2.283 0.929 0.704 0.929 0.714 CB 1.608 113 residues pruned to eliminate duplicates Z: 124 80.908 2.250 0.920 0.647 0.935 0.545 CB 1.574 124 residues pruned to eliminate duplicates Z: 40 37.328 2.138 0.997 0.623 0.846 0.538 CB 1.474 40 residues pruned to eliminate duplicates Z: 130 87.928 2.242 0.997 0.669 0.930 0.558 CB 1.591 130 residues pruned to eliminate duplicates Z: 36 39.684 2.281 0.882 0.644 0.886 0.486 CB 1.543 36 residues pruned to eliminate duplicates Z: 120 82.422 2.272 0.955 0.679 0.924 0.672 CB 1.561 120 residues pruned to eliminate duplicates Z: 43 40.704 2.181 0.948 0.624 0.857 0.452 CB 1.534 43 residues pruned to eliminate duplicates Z: 118 83.703 2.274 0.926 0.683 0.940 0.650 CB 1.589 118 residues pruned to eliminate duplicates Z: 128 81.928 2.254 0.946 0.651 0.906 0.661 CB 1.589 128 residues pruned to eliminate duplicates Z: 131 75.656 2.254 0.845 0.637 0.900 0.631 CB 1.560 131 residues pruned to eliminate duplicates Z: 110 78.721 2.277 0.842 0.706 0.927 0.697 CB 1.608 110 residues pruned to eliminate duplicates Z: 139 74.336 2.207 0.837 0.601 0.906 0.587 CB 1.565 139 residues pruned to eliminate duplicates Z: 102 77.525 2.243 0.987 0.673 0.911 0.703 CB 1.619 102 residues pruned to eliminate duplicates Z: 34 46.537 2.263 1.183 0.666 0.909 0.515 CB 1.547 34 residues pruned to eliminate duplicates Z: 137 81.670 2.221 0.997 0.650 0.897 0.618 CB 1.531 137 residues pruned to eliminate duplicates Z: 134 76.493 2.219 0.936 0.629 0.910 0.564 CB 1.503 134 residues pruned to eliminate duplicates Z: 133 84.006 2.244 0.971 0.636 0.932 0.568 CB 1.561 133 residues pruned to eliminate duplicates Z: 129 81.203 2.250 0.871 0.666 0.914 0.633 CB 1.600 129 residues pruned to eliminate duplicates Z: 36 43.609 2.256 0.970 0.657 0.943 0.514 CB 1.521 36 residues pruned to eliminate duplicates Z: 101 66.499 2.236 0.820 0.646 0.910 0.660 CB 1.567 101 residues pruned to eliminate duplicates Z: 90 74.954 2.286 0.933 0.712 0.899 0.697 CB 1.651 90 residues pruned to eliminate duplicates Z: 100 78.363 2.246 0.912 0.696 0.960 0.717 CB 1.598 100 residues pruned to eliminate duplicates Z: 36 40.094 2.213 0.986 0.656 0.886 0.486 CB 1.505 36 residues pruned to eliminate duplicates Z: 100 80.981 2.282 0.997 0.702 0.919 0.687 CB 1.616 100 residues pruned to eliminate duplicates Z: 130 87.176 2.235 1.024 0.650 0.946 0.589 CB 1.560 130 residues pruned to eliminate duplicates Z: 127 78.511 2.219 0.947 0.626 0.929 0.579 CB 1.549 127 residues pruned to eliminate duplicates Z: 79 77.913 2.297 1.080 0.696 0.936 0.577 CB 1.649 79 residues pruned to eliminate duplicates Z: 129 81.358 2.239 1.041 0.619 0.906 0.594 CB 1.551 129 residues pruned to eliminate duplicates Z: 44 43.240 2.111 1.105 0.632 0.860 0.465 CA 1.524 44 residues pruned to eliminate duplicates Z: 126 73.518 2.226 0.936 0.627 0.896 0.584 CB 1.511 126 residues pruned to eliminate duplicates Z: 137 77.538 2.227 0.914 0.620 0.890 0.596 CB 1.566 137 residues pruned to eliminate duplicates Z: 99 73.878 2.246 0.900 0.678 0.929 0.633 CA 1.599 99 residues pruned to eliminate duplicates Z: 95 63.674 2.227 0.857 0.621 0.883 0.670 CA 1.604 95 residues pruned to eliminate duplicates Z: 53 52.558 2.330 0.764 0.730 0.923 0.788 CA 1.562 53 residues pruned to eliminate duplicates Z: 63 61.299 2.271 0.872 0.696 0.935 0.742 CA 1.636 63 residues pruned to eliminate duplicates Z: 54 63.841 2.333 0.979 0.732 0.925 0.811 CA 1.667 54 residues pruned to eliminate duplicates Z: 42 55.874 2.364 1.064 0.689 0.927 0.732 CA 1.623 42 residues pruned to eliminate duplicates Z: 118 78.325 2.269 0.978 0.661 0.880 0.581 CB 1.578 118 residues pruned to eliminate duplicates Z: 30 53.221 2.351 1.056 0.761 0.966 0.828 CA 1.679 30 residues pruned to eliminate duplicates Z: 93 57.468 2.225 0.784 0.595 0.913 0.620 CB 1.510 93 residues pruned to eliminate duplicates Z: 89 59.506 2.220 0.849 0.621 0.886 0.625 CB 1.555 89 residues pruned to eliminate duplicates Z: 99 79.147 2.288 1.054 0.658 0.918 0.592 CB 1.600 99 residues pruned to eliminate duplicates Z: 82 64.103 2.259 0.904 0.642 0.901 0.617 CB 1.609 82 residues pruned to eliminate duplicates Z: 56 63.566 2.298 0.967 0.707 0.945 0.655 CB 1.661 56 residues pruned to eliminate duplicates Z: 127 78.948 2.249 1.030 0.621 0.881 0.548 CB 1.560 127 residues pruned to eliminate duplicates Z: 94 74.100 2.285 1.014 0.640 0.925 0.559 CB 1.583 94 residues pruned to eliminate duplicates Z: 129 82.183 2.226 1.004 0.652 0.914 0.602 CB 1.547 129 residues pruned to eliminate duplicates Z: 71 66.589 2.306 0.939 0.662 0.943 0.657 CB 1.624 71 residues pruned to eliminate duplicates Z: 93 78.009 2.294 1.040 0.671 0.913 0.652 CB 1.625 93 residues pruned to eliminate duplicates Z: 93 71.142 2.281 0.911 0.646 0.924 0.674 CB 1.607 93 residues pruned to eliminate duplicates Z: 133 79.369 2.252 0.949 0.628 0.902 0.614 CB 1.547 133 residues pruned to eliminate duplicates Z: 100 55.862 2.181 0.826 0.598 0.838 0.505 CB 1.531 100 residues pruned to eliminate duplicates Z: 55 66.085 2.325 0.977 0.706 0.963 0.741 CA 1.685 55 residues pruned to eliminate duplicates Z: 94 70.651 2.265 0.963 0.635 0.914 0.559 CB 1.589 94 residues pruned to eliminate duplicates Z: 64 64.478 2.294 0.932 0.691 0.937 0.619 CA 1.643 64 residues pruned to eliminate duplicates Z: 95 64.995 2.228 0.853 0.634 0.915 0.617 CB 1.564 95 residues pruned to eliminate duplicates Z: 129 79.808 2.233 0.916 0.645 0.930 0.602 CB 1.549 129 residues pruned to eliminate duplicates Z: 89 61.328 2.235 0.916 0.586 0.864 0.557 CB 1.628 89 residues pruned to eliminate duplicates Z: 94 73.490 2.266 1.002 0.644 0.914 0.634 CB 1.606 94 residues pruned to eliminate duplicates Z: 54 67.116 2.341 1.001 0.737 0.943 0.660 CA 1.685 54 residues pruned to eliminate duplicates Z: 117 80.629 2.271 1.023 0.653 0.905 0.612 CB 1.561 117 residues pruned to eliminate duplicates Z: 93 58.998 2.196 0.950 0.596 0.891 0.500 CB 1.470 93 residues pruned to eliminate duplicates Z: 77 68.543 2.305 0.943 0.682 0.908 0.671 CB 1.636 77 residues pruned to eliminate duplicates Z: 96 67.633 2.238 0.929 0.626 0.895 0.621 CB 1.595 96 residues pruned to eliminate duplicates Z: 65 65.968 2.314 0.899 0.682 0.953 0.750 CA 1.666 65 residues pruned to eliminate duplicates Z: 95 67.437 2.244 0.952 0.626 0.904 0.660 CB 1.560 95 residues pruned to eliminate duplicates Z: 89 64.608 2.177 0.960 0.604 0.920 0.614 CB 1.589 89 residues pruned to eliminate duplicates Z: 95 67.483 2.258 0.873 0.625 0.915 0.638 CB 1.599 95 residues pruned to eliminate duplicates Z: 42 55.384 2.361 0.964 0.717 0.951 0.634 CA 1.612 42 residues pruned to eliminate duplicates Z: 94 71.019 2.265 0.990 0.643 0.903 0.624 CB 1.584 94 residues pruned to eliminate duplicates Z: 91 68.931 2.256 0.995 0.628 0.900 0.611 CB 1.591 91 residues pruned to eliminate duplicates Z: 81 57.743 2.236 0.903 0.597 0.900 0.613 CB 1.536 81 residues pruned to eliminate duplicates Z: 77 67.424 2.322 0.959 0.690 0.895 0.553 CB 1.598 77 residues pruned to eliminate duplicates Z: 94 67.678 2.242 0.987 0.605 0.903 0.570 CB 1.577 94 residues pruned to eliminate duplicates Z: 55 38.214 2.159 0.805 0.553 0.926 0.611 CB 1.369 55 residues pruned to eliminate duplicates Z: 53 42.334 2.142 1.008 0.595 0.885 0.538 CB 1.409 53 residues pruned to eliminate duplicates Z: 138 72.052 2.203 0.815 0.618 0.898 0.591 CB 1.533 130 residues pruned to eliminate duplicates Z: 14 25.181 2.009 0.740 0.895 1.000 0.769 CA 1.432 9 residues pruned to eliminate duplicates Z: 16 21.183 2.039 0.576 0.716 0.933 0.533 CB 1.500 16 residues pruned to eliminate duplicates Z: 54 36.487 2.127 0.883 0.558 0.887 0.547 CB 1.334 54 residues pruned to eliminate duplicates Z: 27 24.891 2.093 0.699 0.618 0.923 0.577 CB 1.329 27 residues pruned to eliminate duplicates Z: 23 27.705 2.193 0.767 0.634 0.955 0.682 CB 1.408 23 residues pruned to eliminate duplicates Z: 93 74.155 2.238 0.962 0.651 0.935 0.576 CB 1.637 47 residues pruned to eliminate duplicates Z: 14 22.703 2.159 0.837 0.779 0.846 0.462 CB 1.467 14 residues pruned to eliminate duplicates Z: 53 34.648 2.127 0.845 0.549 0.865 0.538 CB 1.349 53 residues pruned to eliminate duplicates Z: 34 34.488 2.252 0.678 0.710 0.879 0.697 CB 1.494 34 residues pruned to eliminate duplicates Z: 94 66.993 2.264 0.883 0.647 0.892 0.602 CB 1.592 94 residues pruned to eliminate duplicates Z: 90 62.743 2.232 0.949 0.588 0.888 0.494 CB 1.583 90 residues pruned to eliminate duplicates Z: 131 83.782 2.257 1.025 0.654 0.915 0.492 CB 1.522 131 residues pruned to eliminate duplicates Z: 55 39.370 2.148 0.940 0.563 0.889 0.481 CB 1.360 55 residues pruned to eliminate duplicates Z: 55 35.841 2.138 0.845 0.565 0.833 0.556 CB 1.394 55 residues pruned to eliminate duplicates Z: 63 67.223 2.275 1.098 0.689 0.935 0.661 CB 1.609 70 residues pruned to eliminate duplicates Z: 15 21.468 2.201 0.637 0.740 0.857 0.643 CB 1.498 15 residues pruned to eliminate duplicates Z: 134 81.525 2.225 0.967 0.614 0.925 0.564 CB 1.567 93 residues pruned to eliminate duplicates Z: 14 25.390 1.979 0.811 0.909 1.000 0.769 CA 1.395 14 residues pruned to eliminate duplicates Z: 37 31.232 2.210 0.846 0.624 0.833 0.528 CB 1.361 37 residues pruned to eliminate duplicates Z: 45 29.855 2.111 0.898 0.483 0.841 0.523 CB 1.359 45 residues pruned to eliminate duplicates Z: 23 22.072 2.202 0.833 0.530 0.909 0.545 CB 1.245 23 residues pruned to eliminate duplicates Z: 28 17.211 2.089 0.660 0.490 0.815 0.444 CB 1.183 28 residues pruned to eliminate duplicates Z: 79 69.638 2.310 0.986 0.686 0.910 0.615 CB 1.592 79 residues pruned to eliminate duplicates Z: 30 31.421 2.186 0.979 0.561 0.862 0.586 CB 1.475 30 residues pruned to eliminate duplicates Z: 34 19.897 1.983 0.886 0.398 0.818 0.424 CB 1.260 34 residues pruned to eliminate duplicates Z: 94 66.059 2.243 0.985 0.629 0.882 0.559 CB 1.545 94 residues pruned to eliminate duplicates Z: 28 23.421 2.091 1.043 0.466 0.852 0.407 CB 1.282 28 residues pruned to eliminate duplicates Z: 44 33.386 2.139 0.873 0.620 0.884 0.558 CB 1.284 44 residues pruned to eliminate duplicates Z: 27 22.144 2.072 0.963 0.535 0.846 0.500 CB 1.219 27 residues pruned to eliminate duplicates Z: 24 22.261 2.137 0.968 0.499 0.826 0.261 CB 1.337 24 residues pruned to eliminate duplicates Z: 94 66.368 2.244 0.875 0.642 0.925 0.495 CB 1.549 94 residues pruned to eliminate duplicates Z: 21 15.965 1.936 0.831 0.407 0.800 0.300 CB 1.388 21 residues pruned to eliminate duplicates Z: 92 69.115 2.215 1.014 0.618 0.912 0.582 CB 1.592 92 residues pruned to eliminate duplicates Z: 53 38.307 2.134 0.827 0.561 0.885 0.577 CB 1.452 53 residues pruned to eliminate duplicates Z: 64 32.537 2.093 0.844 0.506 0.825 0.524 CB 1.279 64 residues pruned to eliminate duplicates Z: 59 35.664 2.110 0.860 0.539 0.862 0.500 CB 1.332 59 residues pruned to eliminate duplicates Z: 50 35.536 2.079 0.955 0.532 0.857 0.510 CB 1.412 50 residues pruned to eliminate duplicates Z: 21 17.691 2.001 0.666 0.441 0.950 0.500 CB 1.327 21 residues pruned to eliminate duplicates Z: 101 71.034 2.246 0.808 0.678 0.910 0.660 CA 1.632 101 residues pruned to eliminate duplicates Z: 134 79.837 2.262 0.874 0.631 0.887 0.602 CA 1.628 134 residues pruned to eliminate duplicates Z: 18 7.862 2.043 0.603 0.224 0.647 0.353 CB 1.243 10 residues pruned to eliminate duplicates Z: 6 3.516 1.739 1.150 0.258 0.600 0.200 CB 0.925 6 residues pruned to eliminate duplicates Z: 132 79.350 2.251 0.877 0.648 0.885 0.595 CA 1.614 132 residues pruned to eliminate duplicates Z: 34 27.521 2.159 0.702 0.577 0.848 0.606 CB 1.427 34 residues pruned to eliminate duplicates Z: 112 71.085 2.253 0.865 0.637 0.919 0.730 CA 1.537 112 residues pruned to eliminate duplicates Z: 44 42.828 2.147 0.811 0.681 0.930 0.767 CB 1.529 44 residues pruned to eliminate duplicates Z: 31 25.151 2.119 0.781 0.538 0.833 0.667 CB 1.407 31 residues pruned to eliminate duplicates Z: 133 77.588 2.264 0.874 0.618 0.879 0.614 CA 1.620 133 residues pruned to eliminate duplicates Z: 117 74.135 2.241 0.907 0.621 0.897 0.638 CB 1.603 117 residues pruned to eliminate duplicates Z: 168 87.227 2.230 0.884 0.599 0.916 0.629 CA 1.595 325 residues pruned to eliminate duplicates Z: 29 31.728 2.153 0.921 0.620 0.893 0.607 CB 1.450 Z: 18 34.285 2.237 0.895 0.867 0.941 0.824 CA 1.525 25 residues pruned to eliminate duplicates Z: 17 35.933 2.319 0.728 0.880 1.000 0.750 CB 1.624 17 residues pruned to eliminate duplicates Z: 135 85.695 2.280 0.926 0.630 0.910 0.672 CB 1.638 27 residues pruned to eliminate duplicates Z: 19 34.703 2.096 0.908 0.854 1.000 0.556 CA 1.510 19 residues pruned to eliminate duplicates Z: 135 85.391 2.275 0.907 0.647 0.918 0.627 CA 1.615 134 residues pruned to eliminate duplicates Z: 18 36.985 2.200 1.004 0.853 1.000 0.588 CB 1.505 18 residues pruned to eliminate duplicates Z: 109 71.845 2.211 0.908 0.650 0.907 0.630 CA 1.571 109 residues pruned to eliminate duplicates Z: 56 54.192 2.242 0.886 0.704 0.945 0.618 CB 1.518 56 residues pruned to eliminate duplicates Z: 108 66.833 2.217 0.828 0.643 0.879 0.626 CB 1.588 108 residues pruned to eliminate duplicates Z: 95 59.337 2.158 0.862 0.638 0.894 0.617 CA 1.498 67 residues pruned to eliminate duplicates Z: 13 31.723 2.188 1.323 0.874 0.917 0.750 CB 1.430 13 residues pruned to eliminate duplicates Z: 126 76.539 2.248 0.825 0.639 0.904 0.600 CA 1.621 126 residues pruned to eliminate duplicates Z: 134 75.154 2.247 0.859 0.608 0.887 0.571 CA 1.586 134 residues pruned to eliminate duplicates Z: 137 87.337 2.265 1.017 0.635 0.890 0.610 CA 1.624 137 residues pruned to eliminate duplicates Z: 134 82.932 2.259 0.886 0.636 0.917 0.571 CA 1.620 134 residues pruned to eliminate duplicates Z: 39 43.324 2.176 0.942 0.677 0.921 0.500 CB 1.534 39 residues pruned to eliminate duplicates Z: 100 68.024 2.208 0.788 0.678 0.909 0.677 CB 1.617 100 residues pruned to eliminate duplicates Z: 136 78.479 2.247 0.928 0.627 0.867 0.593 CA 1.596 136 residues pruned to eliminate duplicates Z: 106 75.116 2.219 0.937 0.653 0.943 0.648 CA 1.568 36 residues pruned to eliminate duplicates Z: 13 18.359 1.944 0.616 0.906 1.000 0.833 CA 1.200 13 residues pruned to eliminate duplicates Z: 115 76.811 2.241 0.931 0.666 0.904 0.711 CA 1.577 115 residues pruned to eliminate duplicates Z: 109 66.830 2.190 0.857 0.613 0.898 0.537 CA 1.582 109 residues pruned to eliminate duplicates Z: 105 72.815 2.282 0.927 0.644 0.894 0.663 CA 1.587 105 residues pruned to eliminate duplicates Z: 135 80.961 2.252 0.921 0.621 0.903 0.552 CA 1.597 135 residues pruned to eliminate duplicates Z: 12 17.592 1.975 0.465 0.862 1.000 0.818 CA 1.346 12 residues pruned to eliminate duplicates Z: 75 61.247 2.268 0.781 0.696 0.959 0.716 CA 1.536 75 residues pruned to eliminate duplicates Z: 52 49.500 2.214 0.871 0.689 0.902 0.647 CB 1.561 52 residues pruned to eliminate duplicates Z: 140 76.075 2.238 0.940 0.593 0.842 0.583 CB 1.615 140 residues pruned to eliminate duplicates Z: 117 81.844 2.251 0.987 0.675 0.914 0.664 CA 1.582 116 residues pruned to eliminate duplicates Z: 14 37.396 2.335 0.956 0.901 1.000 0.923 CA 1.621 14 residues pruned to eliminate duplicates Z: 128 87.189 2.275 1.020 0.645 0.906 0.598 CB 1.624 126 residues pruned to eliminate duplicates Z: 14 30.408 2.304 0.703 0.897 1.000 0.846 CA 1.539 14 residues pruned to eliminate duplicates Z: 132 81.556 2.289 0.906 0.628 0.878 0.618 CA 1.648 132 residues pruned to eliminate duplicates Z: 58 51.060 2.155 0.947 0.651 0.877 0.596 CA 1.596 58 residues pruned to eliminate duplicates Z: 132 81.614 2.276 0.942 0.644 0.878 0.679 CA 1.607 132 residues pruned to eliminate duplicates Z: 124 79.054 2.249 0.926 0.641 0.911 0.610 CA 1.584 124 residues pruned to eliminate duplicates Z: 51 53.915 2.197 0.995 0.706 0.920 0.700 CA 1.567 51 residues pruned to eliminate duplicates Z: 134 76.697 2.234 0.967 0.581 0.872 0.511 CB 1.606 134 residues pruned to eliminate duplicates Z: 131 88.418 2.271 0.989 0.657 0.908 0.615 CB 1.635 131 residues pruned to eliminate duplicates Z: 102 76.320 2.269 0.951 0.676 0.881 0.703 CA 1.655 102 residues pruned to eliminate duplicates Z: 105 74.044 2.252 0.907 0.659 0.913 0.644 CA 1.597 105 residues pruned to eliminate duplicates Z: 86 73.005 2.321 0.950 0.656 0.906 0.682 CA 1.671 86 residues pruned to eliminate duplicates Z: 103 72.181 2.233 0.926 0.680 0.912 0.578 CB 1.545 103 residues pruned to eliminate duplicates Z: 55 55.755 2.237 0.949 0.617 0.963 0.685 CA 1.618 55 residues pruned to eliminate duplicates Z: 120 67.722 2.218 0.880 0.593 0.857 0.513 CB 1.590 120 residues pruned to eliminate duplicates Z: 103 70.367 2.243 0.980 0.577 0.912 0.578 CA 1.598 80 residues pruned to eliminate duplicates Z: 22 37.970 2.105 1.152 0.887 0.905 0.714 CA 1.458 22 residues pruned to eliminate duplicates Z: 110 73.612 2.234 0.948 0.635 0.899 0.624 CB 1.587 110 residues pruned to eliminate duplicates Z: 102 68.012 2.229 0.886 0.615 0.901 0.663 CA 1.603 102 residues pruned to eliminate duplicates Z: 137 83.772 2.259 0.969 0.633 0.897 0.596 CA 1.589 137 residues pruned to eliminate duplicates Z: 130 79.528 2.259 0.934 0.618 0.891 0.651 CA 1.608 130 residues pruned to eliminate duplicates Z: 103 71.237 2.264 0.986 0.560 0.902 0.510 CA 1.640 103 residues pruned to eliminate duplicates Z: 77 66.367 2.301 0.926 0.679 0.882 0.618 CA 1.653 77 residues pruned to eliminate duplicates Z: 100 72.838 2.262 0.871 0.653 0.909 0.636 CB 1.650 100 residues pruned to eliminate duplicates Z: 120 78.680 2.270 0.852 0.650 0.933 0.672 CA 1.599 120 residues pruned to eliminate duplicates Z: 133 83.921 2.276 0.957 0.636 0.886 0.629 CA 1.628 133 residues pruned to eliminate duplicates Z: 94 74.624 2.306 0.979 0.625 0.903 0.581 CA 1.669 94 residues pruned to eliminate duplicates Z: 129 78.892 2.254 0.959 0.632 0.867 0.625 CA 1.608 129 residues pruned to eliminate duplicates Z: 127 80.749 2.267 0.889 0.643 0.913 0.651 CA 1.610 127 residues pruned to eliminate duplicates Z: 102 78.359 2.232 0.989 0.677 0.931 0.673 CA 1.603 102 residues pruned to eliminate duplicates Z: 81 64.105 2.297 0.976 0.594 0.875 0.525 CA 1.650 81 residues pruned to eliminate duplicates Z: 116 87.963 2.261 0.997 0.680 0.948 0.626 CB 1.624 116 residues pruned to eliminate duplicates Z: 33 37.687 2.111 1.088 0.621 0.875 0.594 CA 1.542 33 residues pruned to eliminate duplicates Z: 117 76.667 2.242 0.884 0.660 0.914 0.647 CB 1.590 117 residues pruned to eliminate duplicates Z: 57 55.570 2.257 0.958 0.659 0.929 0.661 CA 1.562 57 residues pruned to eliminate duplicates Z: 106 78.894 2.262 1.013 0.654 0.914 0.629 CA 1.603 106 residues pruned to eliminate duplicates Z: 130 87.227 2.273 0.975 0.649 0.915 0.628 CB 1.627 132 residues pruned to eliminate duplicates Z: 13 26.128 2.213 0.899 0.853 0.917 0.750 CA 1.447 13 residues pruned to eliminate duplicates Z: 14 24.519 2.136 0.988 0.732 0.923 0.846 CA 1.408 14 residues pruned to eliminate duplicates Z: 82 59.677 2.229 0.943 0.644 0.852 0.531 CB 1.570 82 residues pruned to eliminate duplicates Z: 86 61.757 2.235 0.963 0.566 0.871 0.541 CB 1.646 86 residues pruned to eliminate duplicates Z: 100 74.360 2.258 0.956 0.667 0.919 0.657 CA 1.578 100 residues pruned to eliminate duplicates Z: 116 78.698 2.225 0.931 0.663 0.922 0.643 CA 1.594 117 residues pruned to eliminate duplicates Z: 14 20.375 2.111 0.817 0.761 0.846 0.615 CA 1.381 14 residues pruned to eliminate duplicates Z: 92 68.952 2.276 0.995 0.650 0.857 0.560 CA 1.615 92 residues pruned to eliminate duplicates Z: 93 71.684 2.301 1.026 0.633 0.870 0.587 CA 1.627 93 residues pruned to eliminate duplicates Z: 97 69.892 2.269 0.984 0.611 0.885 0.646 CA 1.610 97 residues pruned to eliminate duplicates Z: 118 82.642 2.239 0.985 0.675 0.915 0.556 CB 1.600 118 residues pruned to eliminate duplicates Z: 134 87.838 2.267 0.971 0.646 0.917 0.632 CB 1.622 134 residues pruned to eliminate duplicates Z: 92 79.108 2.323 1.069 0.643 0.923 0.626 CA 1.636 92 residues pruned to eliminate duplicates Z: 143 85.687 2.262 0.938 0.647 0.880 0.634 CA 1.624 143 residues pruned to eliminate duplicates Z: 130 86.639 2.270 0.978 0.641 0.907 0.574 CB 1.641 130 residues pruned to eliminate duplicates Z: 27 26.212 2.166 0.764 0.537 0.885 0.423 CB 1.466 27 residues pruned to eliminate duplicates Z: 139 77.441 2.216 0.884 0.634 0.884 0.609 CA 1.575 139 residues pruned to eliminate duplicates Z: 55 46.364 2.228 0.915 0.560 0.889 0.463 CB 1.570 55 residues pruned to eliminate duplicates Z: 82 72.075 2.283 1.079 0.609 0.926 0.568 CA 1.643 82 residues pruned to eliminate duplicates Z: 176 82.510 2.199 0.974 0.563 0.886 0.549 CB 1.526 170 residues pruned to eliminate duplicates Z: 14 21.306 2.244 0.723 0.738 0.769 0.615 CB 1.605 14 residues pruned to eliminate duplicates Z: 130 79.656 2.253 0.941 0.632 0.899 0.581 CA 1.576 130 residues pruned to eliminate duplicates Z: 81 60.029 2.246 1.094 0.571 0.838 0.500 CB 1.590 81 residues pruned to eliminate duplicates Z: 79 45.669 2.174 0.740 0.495 0.846 0.513 CB 1.624 272 residues pruned to eliminate duplicates Z: 11 28.934 2.235 0.808 0.896 1.000 0.600 CA 1.622 11 residues pruned to eliminate duplicates Z: 156 89.384 2.256 0.965 0.619 0.903 0.574 CA 1.603 159 residues pruned to eliminate duplicates Z: 11 28.903 2.281 0.917 0.862 0.900 0.700 CA 1.706 11 residues pruned to eliminate duplicates Z: 27 26.337 2.193 0.891 0.468 0.885 0.462 CA 1.454 27 residues pruned to eliminate duplicates Z: 123 82.693 2.251 0.977 0.662 0.910 0.598 CA 1.592 123 residues pruned to eliminate duplicates Z: 93 76.817 2.310 1.018 0.635 0.913 0.543 CA 1.659 93 residues pruned to eliminate duplicates Z: 98 67.156 2.259 0.946 0.612 0.866 0.608 CA 1.610 98 residues pruned to eliminate duplicates Z: 93 71.635 2.270 1.101 0.618 0.891 0.543 CB 1.572 93 residues pruned to eliminate duplicates Z: 132 90.705 2.270 1.011 0.636 0.924 0.595 CA 1.654 132 residues pruned to eliminate duplicates Z: 130 83.437 2.233 0.962 0.649 0.922 0.605 CB 1.581 130 residues pruned to eliminate duplicates Z: 24 31.375 2.280 0.935 0.524 0.957 0.565 CB 1.514 24 residues pruned to eliminate duplicates Z: 31 38.890 2.321 1.083 0.554 0.867 0.333 CB 1.608 31 residues pruned to eliminate duplicates Z: 136 85.832 2.250 0.939 0.628 0.926 0.533 CB 1.622 136 residues pruned to eliminate duplicates Z: 131 81.324 2.276 1.004 0.621 0.885 0.585 CB 1.577 131 residues pruned to eliminate duplicates Z: 37 33.416 2.228 1.039 0.499 0.833 0.417 CB 1.472 37 residues pruned to eliminate duplicates Z: 132 86.031 2.263 1.001 0.653 0.893 0.603 CA 1.612 132 residues pruned to eliminate duplicates Z: 35 42.234 2.348 1.107 0.528 0.882 0.500 CB 1.614 35 residues pruned to eliminate duplicates Z: 132 87.871 2.261 1.059 0.646 0.893 0.573 CB 1.612 132 residues pruned to eliminate duplicates Z: 21 21.516 2.117 0.909 0.436 0.850 0.450 CA 1.497 21 residues pruned to eliminate duplicates Z: 42 40.720 2.271 1.096 0.488 0.805 0.512 CB 1.681 42 residues pruned to eliminate duplicates Z: 135 69.915 2.200 0.876 0.555 0.881 0.590 CA 1.574 135 residues pruned to eliminate duplicates Z: 127 88.218 2.248 1.078 0.667 0.889 0.492 CB 1.622 127 residues pruned to eliminate duplicates Z: 131 88.100 2.255 1.017 0.653 0.915 0.592 CA 1.610 131 residues pruned to eliminate duplicates Z: 42 35.937 2.227 1.078 0.491 0.780 0.488 CB 1.569 42 residues pruned to eliminate duplicates Z: 32 35.476 2.301 1.071 0.542 0.806 0.548 CB 1.592 32 residues pruned to eliminate duplicates Z: 7 12.372 2.021 1.157 0.545 0.667 0.500 N 1.663 7 residues pruned to eliminate duplicates Z: 57 38.565 2.146 0.770 0.490 0.893 0.643 CB 1.535 57 residues pruned to eliminate duplicates Z: 130 76.936 2.242 0.839 0.607 0.907 0.574 CB 1.636 130 residues pruned to eliminate duplicates Z: 61 42.525 2.169 0.954 0.582 0.833 0.433 CB 1.437 61 residues pruned to eliminate duplicates Z: 74 44.457 2.137 0.779 0.494 0.890 0.575 CB 1.547 74 residues pruned to eliminate duplicates Z: 9 9.105 2.133 0.393 0.565 0.750 0.500 CA 1.356 9 residues pruned to eliminate duplicates Z: 159 80.514 2.233 0.866 0.580 0.924 0.589 CB 1.540 159 residues pruned to eliminate duplicates Z: 40 29.596 2.171 0.554 0.514 0.923 0.615 CB 1.501 40 residues pruned to eliminate duplicates Z: 44 27.305 2.022 0.595 0.473 0.907 0.558 CB 1.464 44 residues pruned to eliminate duplicates Z: 43 31.542 2.102 0.705 0.492 0.881 0.619 CA 1.555 43 residues pruned to eliminate duplicates Z: 43 29.410 2.109 0.678 0.493 0.905 0.548 CB 1.428 43 residues pruned to eliminate duplicates Z: 25 30.696 2.283 0.806 0.527 0.958 0.667 CA 1.544 25 residues pruned to eliminate duplicates Z: 47 30.262 2.070 0.676 0.431 0.913 0.587 CB 1.512 47 residues pruned to eliminate duplicates Z: 43 34.190 2.069 0.795 0.504 0.952 0.500 CB 1.485 43 residues pruned to eliminate duplicates Z: 47 29.102 2.044 0.819 0.408 0.891 0.457 CB 1.427 47 residues pruned to eliminate duplicates Z: 41 36.367 2.165 0.707 0.507 1.000 0.600 CA 1.545 41 residues pruned to eliminate duplicates Z: 43 34.461 2.102 0.788 0.497 0.952 0.714 CB 1.491 43 residues pruned to eliminate duplicates Z: 33 24.984 2.119 0.825 0.376 0.875 0.500 CB 1.489 33 residues pruned to eliminate duplicates Z: 42 33.440 2.114 0.843 0.462 0.902 0.561 CB 1.544 42 residues pruned to eliminate duplicates Z: 44 29.903 2.066 0.758 0.475 0.860 0.558 CB 1.497 44 residues pruned to eliminate duplicates Z: 42 30.265 2.135 0.597 0.490 0.951 0.537 CB 1.472 42 residues pruned to eliminate duplicates Z: 45 29.590 2.071 0.687 0.461 0.909 0.455 CB 1.462 45 residues pruned to eliminate duplicates Z: 24 19.249 2.051 0.631 0.436 0.913 0.522 CB 1.403 24 residues pruned to eliminate duplicates Z: 49 31.150 2.058 0.790 0.431 0.917 0.604 CB 1.430 49 residues pruned to eliminate duplicates Z: 36 28.385 2.127 0.751 0.463 0.914 0.600 CB 1.464 36 residues pruned to eliminate duplicates Z: 30 17.550 1.881 0.639 0.401 0.897 0.552 CB 1.308 30 residues pruned to eliminate duplicates Z: 45 29.172 2.026 0.734 0.474 0.886 0.545 CB 1.450 45 residues pruned to eliminate duplicates Z: 45 28.533 2.068 0.755 0.425 0.864 0.500 CB 1.483 45 residues pruned to eliminate duplicates Z: 39 27.049 2.105 0.836 0.451 0.868 0.421 CB 1.375 39 residues pruned to eliminate duplicates Z: 42 34.698 2.130 0.983 0.507 0.878 0.561 CB 1.451 42 residues pruned to eliminate duplicates Z: 26 21.833 2.010 0.799 0.417 1.000 0.560 CB 1.317 26 residues pruned to eliminate duplicates Z: 37 28.799 2.185 0.779 0.460 0.861 0.583 CB 1.494 37 residues pruned to eliminate duplicates Z: 44 31.133 2.031 0.827 0.479 0.953 0.605 CB 1.370 44 residues pruned to eliminate duplicates Z: 46 33.540 2.029 0.763 0.489 0.956 0.511 CB 1.479 46 residues pruned to eliminate duplicates Z: 44 34.026 2.066 0.878 0.462 0.953 0.535 CB 1.459 44 residues pruned to eliminate duplicates Z: 49 28.185 1.965 0.802 0.414 0.875 0.542 CB 1.436 49 residues pruned to eliminate duplicates Z: 42 30.907 2.103 0.815 0.484 0.878 0.683 CB 1.463 42 residues pruned to eliminate duplicates Z: 46 26.920 2.043 0.719 0.452 0.844 0.578 CB 1.421 46 residues pruned to eliminate duplicates Z: 48 29.805 2.034 0.767 0.446 0.872 0.617 CB 1.465 48 residues pruned to eliminate duplicates Z: 29 20.444 1.916 0.670 0.446 1.000 0.714 CB 1.276 29 residues pruned to eliminate duplicates Z: 10 7.331 1.749 0.855 0.413 1.000 0.778 CA 0.825 Z: 7 5.301 1.609 0.432 0.306 1.000 0.500 CB 1.166 6 residues pruned to eliminate duplicates Z: 13 7.308 1.751 0.388 0.491 0.750 0.500 CB 1.168 13 residues pruned to eliminate duplicates Z: 33 23.328 1.901 0.672 0.553 0.906 0.625 CB 1.360 34 residues pruned to eliminate duplicates Z: 17 16.304 1.795 0.259 0.855 1.000 0.875 CB 1.332 17 residues pruned to eliminate duplicates Z: 42 24.968 1.819 0.646 0.644 0.902 0.707 CB 1.261 43 residues pruned to eliminate duplicates Z: 16 15.053 1.842 0.192 0.861 1.000 0.867 CB 1.301 16 residues pruned to eliminate duplicates Z: 69 31.874 1.874 0.521 0.604 0.926 0.588 CB 1.326 69 residues pruned to eliminate duplicates Z: 63 19.637 1.717 0.459 0.490 0.871 0.452 CB 1.155 35 residues pruned to eliminate duplicates Z: 18 20.989 1.815 0.686 0.851 0.941 0.529 CB 1.309 18 residues pruned to eliminate duplicates Z: 27 21.513 1.908 0.562 0.637 0.923 0.615 CB 1.348 27 residues pruned to eliminate duplicates Z: 31 22.319 1.850 0.686 0.627 0.900 0.533 CB 1.288 31 residues pruned to eliminate duplicates Z: 25 23.044 1.871 0.739 0.695 0.958 0.583 CB 1.262 25 residues pruned to eliminate duplicates Z: 29 22.818 1.828 0.619 0.659 0.929 0.571 CB 1.355 29 residues pruned to eliminate duplicates Z: 37 20.605 1.813 0.525 0.572 0.944 0.667 CB 1.227 37 residues pruned to eliminate duplicates Z: 130 44.710 1.924 0.539 0.639 0.891 0.597 CB 1.310 130 residues pruned to eliminate duplicates Z: 48 25.227 1.841 0.538 0.685 0.894 0.574 CB 1.227 48 residues pruned to eliminate duplicates Z: 64 34.709 1.880 0.597 0.705 0.921 0.651 CB 1.312 64 residues pruned to eliminate duplicates Z: 36 17.610 1.727 0.587 0.499 0.857 0.486 CB 1.269 36 residues pruned to eliminate duplicates Z: 35 25.318 1.910 0.753 0.606 0.882 0.500 CB 1.328 35 residues pruned to eliminate duplicates Z: 20 13.786 1.716 0.489 0.648 0.842 0.632 CB 1.280 20 residues pruned to eliminate duplicates Z: 32 17.730 1.765 0.450 0.557 0.903 0.484 CB 1.303 32 residues pruned to eliminate duplicates Z: 29 20.774 1.859 0.748 0.627 0.857 0.500 CB 1.251 29 residues pruned to eliminate duplicates Z: 7 3.190 1.611 0.038 0.528 0.667 0.667 CA 1.137 7 residues pruned to eliminate duplicates Z: 11 10.429 1.579 0.373 0.693 1.000 0.500 N 1.275 11 residues pruned to eliminate duplicates Z: 53 32.178 1.889 0.412 0.719 0.981 0.615 CB 1.400 53 residues pruned to eliminate duplicates Z: 71 30.731 1.850 0.451 0.680 0.914 0.586 CB 1.268 71 residues pruned to eliminate duplicates Z: 48 28.032 1.875 0.528 0.707 0.936 0.702 CB 1.263 48 residues pruned to eliminate duplicates Z: 82 36.466 1.883 0.571 0.675 0.901 0.605 CB 1.294 13 residues pruned to eliminate duplicates Z: 10 14.779 1.783 0.457 0.904 1.000 0.889 CB 1.350 10 residues pruned to eliminate duplicates Z: 56 28.799 1.850 0.539 0.656 0.945 0.673 CB 1.248 56 residues pruned to eliminate duplicates Z: 54 26.391 1.872 0.428 0.689 0.868 0.698 CB 1.313 54 residues pruned to eliminate duplicates Z: 72 28.652 1.870 0.424 0.648 0.887 0.662 CB 1.253 72 residues pruned to eliminate duplicates Z: 102 41.866 1.956 0.560 0.626 0.901 0.614 CB 1.345 102 residues pruned to eliminate duplicates 692 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 8 D: 136 E: 26 F: 34 G: 280 H: 6 I: 188 CC for partial structure against native data = 35.58 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.560, Connect. = 0.717 for dens.mod. cycle 1 = 0.300, Contrast = 0.645, Connect. = 0.747 for dens.mod. cycle 2 = 0.300, Contrast = 0.777, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.797, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.814, Connect. = 0.782 for dens.mod. cycle 5 = 0.300, Contrast = 0.821, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.828, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.830, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.832, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.832, 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 972 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 37.741 2.275 0.847 0.877 1.000 0.824 CA 1.582 B: 19 38.168 2.302 0.883 0.818 0.944 0.722 CB 1.667 19 residues pruned to eliminate duplicates C: 19 49.218 2.322 1.351 0.855 1.000 0.722 CB 1.569 18 residues pruned to eliminate duplicates D: 13 29.201 2.141 0.870 0.851 0.917 0.833 CA 1.700 E: 13 46.518 2.489 1.315 0.909 1.000 0.833 CB 1.654 F: 14 28.267 2.253 0.853 0.788 0.923 0.692 CA 1.579 G: 14 31.111 2.318 0.789 0.822 0.923 0.769 CA 1.704 H: 13 26.624 2.085 0.695 0.876 1.000 0.583 CB 1.580 13 residues pruned to eliminate duplicates I: 12 28.142 2.254 0.827 0.900 1.000 0.727 CB 1.472 12 residues pruned to eliminate duplicates J: 7 10.215 1.829 0.118 0.863 1.000 0.667 CB 1.497 K: 17 47.027 2.513 1.120 0.882 0.938 0.812 CB 1.703 17 residues pruned to eliminate duplicates L: 23 39.391 2.220 0.980 0.854 0.864 0.682 CA 1.634 M: 18 41.701 2.395 0.830 0.882 1.000 0.824 CB 1.670 18 residues pruned to eliminate duplicates N: 14 34.627 2.287 0.809 0.857 1.000 0.769 CA 1.711 14 residues pruned to eliminate duplicates O: 13 33.309 2.220 0.859 0.886 0.917 0.500 CA 1.834 P: 67 63.129 2.307 1.002 0.645 0.894 0.561 CA 1.645 13 residues pruned to eliminate duplicates Q: 14 40.469 2.485 1.107 0.914 1.000 0.615 CB 1.516 13 residues pruned to eliminate duplicates R: 16 47.470 2.490 0.990 0.916 1.000 0.867 CB 1.748 18 residues pruned to eliminate duplicates S: 14 31.983 2.223 0.750 0.869 1.000 0.846 CB 1.665 14 residues pruned to eliminate duplicates T: 14 31.170 2.293 1.025 0.777 0.923 0.692 CB 1.580 U: 14 32.573 2.234 1.017 0.901 0.923 0.846 CA 1.551 V: 14 43.715 2.470 1.099 0.928 1.000 1.000 CB 1.637 14 residues pruned to eliminate duplicates W: 12 38.641 2.298 0.910 0.930 1.000 0.818 CA 1.856 13 residues pruned to eliminate duplicates X: 11 43.132 2.514 1.255 0.925 1.000 0.800 CA 1.688 11 residues pruned to eliminate duplicates Y: 13 32.454 2.237 0.704 0.930 1.000 0.750 CA 1.718 13 residues pruned to eliminate duplicates Z: 13 21.086 2.380 0.805 0.763 0.833 0.833 CA 1.347 13 residues pruned to eliminate duplicates Z: 14 25.744 2.195 0.539 0.909 1.000 0.923 CA 1.500 14 residues pruned to eliminate duplicates Z: 22 45.720 2.243 0.997 0.879 0.952 0.571 CA 1.696 Z: 22 35.902 2.224 0.821 0.811 0.952 0.667 CA 1.549 22 residues pruned to eliminate duplicates Z: 140 82.735 2.239 0.995 0.640 0.885 0.547 CB 1.558 81 residues pruned to eliminate duplicates Z: 17 46.378 2.470 0.979 0.868 1.000 0.875 CB 1.734 17 residues pruned to eliminate duplicates Z: 16 31.217 2.159 1.002 0.769 0.933 0.733 CB 1.575 14 residues pruned to eliminate duplicates Z: 12 26.024 2.261 0.488 0.921 1.000 0.818 CA 1.641 Z: 19 25.603 2.181 0.456 0.837 1.000 0.833 CA 1.421 19 residues pruned to eliminate duplicates Z: 22 41.135 2.216 0.989 0.866 0.952 0.762 CA 1.565 22 residues pruned to eliminate duplicates Z: 12 33.547 2.301 0.797 0.901 1.000 0.636 CA 1.746 12 residues pruned to eliminate duplicates Z: 13 33.646 2.199 0.966 0.914 0.917 0.667 CA 1.733 13 residues pruned to eliminate duplicates Z: 14 28.626 2.299 0.799 0.787 0.923 0.692 CA 1.616 14 residues pruned to eliminate duplicates Z: 278 121.269 2.280 0.958 0.608 0.899 0.581 CB 1.639 205 residues pruned to eliminate duplicates Z: 12 29.991 2.316 0.657 0.882 1.000 0.727 CA 1.705 12 residues pruned to eliminate duplicates Z: 10 13.026 2.043 0.236 0.812 1.000 0.667 CA 1.311 10 residues pruned to eliminate duplicates Z: 16 31.454 2.142 0.963 0.788 0.933 0.733 CA 1.606 16 residues pruned to eliminate duplicates Z: 21 42.838 2.307 0.859 0.898 0.950 0.600 CA 1.682 21 residues pruned to eliminate duplicates Z: 13 29.606 2.098 0.791 0.865 1.000 0.917 CA 1.665 Z: 14 20.788 1.964 0.681 0.888 1.000 0.846 CB 1.258 Z: 15 33.547 2.159 0.982 0.848 1.000 0.857 CA 1.555 15 residues pruned to eliminate duplicates Z: 14 12.712 1.903 0.464 0.758 0.923 0.538 CB 1.089 13 residues pruned to eliminate duplicates Z: 88 64.126 2.273 1.042 0.559 0.874 0.563 CA 1.600 88 residues pruned to eliminate duplicates Z: 13 43.714 2.427 1.106 0.927 1.000 0.917 CA 1.730 14 residues pruned to eliminate duplicates Z: 12 8.061 1.893 0.593 0.437 0.818 0.455 CB 1.052 Z: 13 23.332 2.079 0.919 0.831 0.833 0.583 CB 1.522 13 residues pruned to eliminate duplicates Z: 12 26.831 2.176 0.534 0.892 1.000 0.909 CA 1.740 12 residues pruned to eliminate duplicates Z: 13 37.976 2.262 0.911 0.936 1.000 0.833 CA 1.766 13 residues pruned to eliminate duplicates Z: 23 36.976 2.113 0.699 0.829 0.955 0.591 CA 1.731 23 residues pruned to eliminate duplicates Z: 13 29.340 2.165 1.061 0.895 0.833 0.750 CA 1.633 13 residues pruned to eliminate duplicates Z: 18 36.000 2.160 0.836 0.896 1.000 0.765 CA 1.577 18 residues pruned to eliminate duplicates Z: 12 13.163 1.792 0.452 0.742 1.000 0.545 CA 1.228 Z: 15 32.711 2.207 1.066 0.809 0.929 0.571 CA 1.578 15 residues pruned to eliminate duplicates Z: 43 35.839 2.088 0.783 0.589 0.976 0.690 CA 1.396 Z: 15 19.216 2.100 0.560 0.763 0.857 0.786 CA 1.449 15 residues pruned to eliminate duplicates Z: 19 24.584 1.918 0.661 0.879 1.000 0.667 CA 1.320 Z: 21 40.868 2.317 1.075 0.821 0.900 0.400 CA 1.599 22 residues pruned to eliminate duplicates Z: 32 34.836 2.226 1.088 0.577 0.806 0.484 CB 1.549 32 residues pruned to eliminate duplicates Z: 14 23.999 2.039 0.793 0.920 1.000 0.923 CA 1.282 14 residues pruned to eliminate duplicates Z: 40 28.882 2.057 0.651 0.531 0.872 0.615 CB 1.515 25 residues pruned to eliminate duplicates Z: 14 27.412 2.291 0.745 0.782 0.923 0.615 CB 1.607 14 residues pruned to eliminate duplicates Z: 14 31.150 2.294 0.870 0.782 1.000 0.769 CB 1.571 14 residues pruned to eliminate duplicates Z: 14 31.121 2.429 0.553 0.921 1.000 1.000 CB 1.609 14 residues pruned to eliminate duplicates Z: 20 37.511 2.403 0.721 0.878 0.947 0.842 CA 1.594 20 residues pruned to eliminate duplicates Z: 12 21.384 2.217 0.656 0.851 0.818 0.727 CB 1.590 12 residues pruned to eliminate duplicates Z: 17 37.816 2.333 0.711 0.896 1.000 0.812 CB 1.698 17 residues pruned to eliminate duplicates Z: 13 20.354 2.151 0.570 0.847 0.917 0.833 CA 1.410 12 residues pruned to eliminate duplicates Z: 16 33.005 2.147 1.134 0.778 0.933 0.467 CA 1.560 16 residues pruned to eliminate duplicates Z: 14 30.605 2.237 0.957 0.794 0.923 0.769 CA 1.623 14 residues pruned to eliminate duplicates Z: 15 25.283 2.038 0.670 0.815 1.000 0.929 CB 1.510 15 residues pruned to eliminate duplicates Z: 20 27.513 2.232 0.815 0.824 0.842 0.526 CA 1.397 20 residues pruned to eliminate duplicates Z: 12 29.723 2.254 0.850 0.908 0.909 0.818 CB 1.679 12 residues pruned to eliminate duplicates Z: 7 11.993 1.738 0.786 0.747 1.000 1.000 CA 1.264 7 residues pruned to eliminate duplicates Z: 21 37.991 2.289 0.817 0.821 0.950 0.700 CA 1.627 21 residues pruned to eliminate duplicates Z: 22 32.784 2.192 0.570 0.877 1.000 0.762 CA 1.509 22 residues pruned to eliminate duplicates Z: 22 28.649 2.231 0.592 0.862 0.857 0.762 CA 1.508 22 residues pruned to eliminate duplicates Z: 26 37.074 2.302 0.887 0.532 0.920 0.720 CB 1.798 38 residues pruned to eliminate duplicates Z: 93 65.287 2.257 0.877 0.623 0.924 0.565 CB 1.549 60 residues pruned to eliminate duplicates Z: 19 38.212 2.336 0.807 0.827 1.000 0.833 CB 1.608 19 residues pruned to eliminate duplicates Z: 12 18.054 2.192 0.322 0.914 1.000 0.909 CA 1.327 12 residues pruned to eliminate duplicates Z: 15 26.072 2.191 0.558 0.846 1.000 0.857 CA 1.516 15 residues pruned to eliminate duplicates Z: 10 20.074 1.888 0.703 0.833 1.000 0.667 CA 1.561 Z: 18 35.908 2.292 0.925 0.844 0.941 0.588 CB 1.560 18 residues pruned to eliminate duplicates Z: 14 30.567 2.320 0.824 0.774 1.000 0.692 CA 1.572 14 residues pruned to eliminate duplicates Z: 14 24.869 2.158 0.499 0.840 1.000 0.846 CB 1.591 14 residues pruned to eliminate duplicates Z: 105 76.591 2.303 0.921 0.638 0.923 0.606 CA 1.616 105 residues pruned to eliminate duplicates Z: 14 31.106 2.286 0.591 0.903 1.000 1.000 CA 1.691 17 residues pruned to eliminate duplicates Z: 11 23.489 2.096 1.041 0.904 0.900 0.700 CB 1.374 11 residues pruned to eliminate duplicates Z: 101 68.336 2.255 0.948 0.543 0.900 0.560 CA 1.657 101 residues pruned to eliminate duplicates Z: 135 88.488 2.287 0.952 0.637 0.925 0.597 CB 1.628 135 residues pruned to eliminate duplicates Z: 12 32.370 2.191 1.157 0.889 0.909 0.909 CB 1.635 12 residues pruned to eliminate duplicates Z: 14 28.663 2.069 0.972 0.810 1.000 0.538 CB 1.488 14 residues pruned to eliminate duplicates Z: 18 48.869 2.420 1.336 0.846 0.941 0.529 CB 1.654 18 residues pruned to eliminate duplicates Z: 21 33.827 2.213 0.718 0.863 0.900 0.600 CA 1.622 21 residues pruned to eliminate duplicates Z: 13 35.541 2.273 0.943 0.922 1.000 0.833 CA 1.634 13 residues pruned to eliminate duplicates Z: 13 17.065 2.030 0.504 0.824 1.000 0.833 CA 1.219 13 residues pruned to eliminate duplicates Z: 21 27.052 2.140 0.900 0.644 0.900 0.500 CB 1.445 21 residues pruned to eliminate duplicates Z: 22 36.801 2.165 0.975 0.828 0.952 0.524 CA 1.484 22 residues pruned to eliminate duplicates Z: 14 32.123 2.336 0.931 0.779 0.923 0.769 CA 1.672 14 residues pruned to eliminate duplicates Z: 11 28.737 2.382 0.706 0.906 1.000 0.700 CA 1.590 11 residues pruned to eliminate duplicates Z: 15 23.148 2.153 0.627 0.793 0.929 0.786 CA 1.471 15 residues pruned to eliminate duplicates Z: 65 62.131 2.290 0.880 0.684 0.953 0.656 CA 1.598 65 residues pruned to eliminate duplicates Z: 37 29.094 2.108 0.909 0.500 0.806 0.611 CB 1.496 37 residues pruned to eliminate duplicates Z: 7 5.865 1.916 0.250 0.609 0.667 0.333 CA 1.353 7 residues pruned to eliminate duplicates Z: 18 41.081 2.385 1.177 0.829 0.941 0.765 CB 1.533 18 residues pruned to eliminate duplicates Z: 13 16.048 1.976 0.828 0.848 0.833 0.667 CB 1.141 13 residues pruned to eliminate duplicates Z: 14 44.457 2.476 1.249 0.912 1.000 0.692 CB 1.568 14 residues pruned to eliminate duplicates Z: 13 32.130 2.404 0.588 0.889 1.000 0.833 CA 1.749 13 residues pruned to eliminate duplicates Z: 11 11.331 2.030 0.636 0.330 0.800 0.600 CB 1.625 12 residues pruned to eliminate duplicates Z: 22 25.771 2.181 0.365 0.874 0.905 0.714 CA 1.520 22 residues pruned to eliminate duplicates Z: 117 62.473 2.190 0.785 0.554 0.914 0.578 CB 1.540 117 residues pruned to eliminate duplicates Z: 22 39.617 2.192 0.934 0.815 0.952 0.714 CA 1.629 22 residues pruned to eliminate duplicates Z: 20 33.937 2.287 0.830 0.864 0.895 0.842 CA 1.524 20 residues pruned to eliminate duplicates Z: 13 30.829 2.274 0.860 0.922 1.000 0.583 CA 1.480 13 residues pruned to eliminate duplicates Z: 12 17.447 1.935 0.565 0.876 1.000 0.909 CA 1.263 12 residues pruned to eliminate duplicates Z: 15 50.864 2.409 1.468 0.916 1.000 0.643 CB 1.615 15 residues pruned to eliminate duplicates Z: 22 39.035 2.168 1.037 0.830 1.000 0.619 CA 1.450 22 residues pruned to eliminate duplicates Z: 10 22.544 2.049 0.758 0.898 0.889 0.667 CB 1.680 Z: 21 34.270 2.303 0.706 0.849 0.950 0.650 CA 1.521 21 residues pruned to eliminate duplicates Z: 19 31.866 2.201 0.791 0.828 0.944 0.667 CB 1.520 19 residues pruned to eliminate duplicates Z: 17 28.234 2.065 1.187 0.806 0.938 0.312 CA 1.277 17 residues pruned to eliminate duplicates Z: 133 96.434 2.306 1.076 0.659 0.917 0.530 CA 1.651 130 residues pruned to eliminate duplicates Z: 12 18.129 2.134 0.515 0.859 0.909 0.727 CA 1.369 Z: 75 69.183 2.319 0.955 0.689 0.932 0.568 CB 1.600 74 residues pruned to eliminate duplicates Z: 11 17.602 2.043 0.191 0.895 1.000 0.900 CB 1.640 10 residues pruned to eliminate duplicates Z: 12 32.931 2.241 0.836 0.864 1.000 0.727 CA 1.769 12 residues pruned to eliminate duplicates Z: 7 10.131 1.704 0.958 0.807 1.000 0.500 CA 0.948 7 residues pruned to eliminate duplicates Z: 13 33.843 2.218 0.812 0.918 1.000 0.833 CA 1.715 13 residues pruned to eliminate duplicates Z: 22 42.219 2.184 1.073 0.842 0.905 0.476 CA 1.675 22 residues pruned to eliminate duplicates Z: 8 4.617 1.702 0.552 0.305 0.714 0.286 CB 1.150 Z: 14 28.669 2.266 0.717 0.906 1.000 0.846 CA 1.454 14 residues pruned to eliminate duplicates Z: 10 20.934 2.063 0.693 0.870 1.000 0.778 CA 1.458 Z: 13 28.602 2.249 0.691 0.920 1.000 0.917 CA 1.529 13 residues pruned to eliminate duplicates Z: 20 22.311 2.088 0.476 0.836 0.895 0.842 CA 1.389 20 residues pruned to eliminate duplicates Z: 13 34.555 2.187 0.930 0.840 1.000 0.583 CB 1.763 13 residues pruned to eliminate duplicates Z: 15 31.805 1.943 1.392 0.841 1.000 0.500 CA 1.364 15 residues pruned to eliminate duplicates Z: 11 23.849 2.229 0.631 0.870 1.000 0.800 CB 1.513 11 residues pruned to eliminate duplicates Z: 9 11.126 1.893 0.744 0.527 0.875 0.500 CB 1.327 Z: 13 49.914 2.417 1.319 0.928 1.000 0.750 CA 1.801 14 residues pruned to eliminate duplicates Z: 12 23.479 2.041 0.835 0.927 1.000 0.818 CA 1.325 12 residues pruned to eliminate duplicates Z: 12 17.792 2.026 0.447 0.873 1.000 0.909 CA 1.333 12 residues pruned to eliminate duplicates Z: 104 64.694 2.286 0.752 0.596 0.883 0.621 CA 1.644 104 residues pruned to eliminate duplicates Z: 6 11.331 2.107 0.597 0.772 0.800 0.800 CA 1.479 6 residues pruned to eliminate duplicates Z: 11 8.525 2.044 0.859 0.328 0.800 0.600 CB 1.070 11 residues pruned to eliminate duplicates Z: 132 92.968 2.304 0.988 0.665 0.931 0.557 CA 1.634 132 residues pruned to eliminate duplicates Z: 22 17.227 2.073 0.503 0.579 0.810 0.619 CB 1.381 12 residues pruned to eliminate duplicates Z: 14 20.045 1.791 0.840 0.860 1.000 0.692 CA 1.240 Z: 18 33.997 2.216 0.755 0.883 0.941 0.765 CB 1.628 18 residues pruned to eliminate duplicates Z: 44 42.257 2.109 1.008 0.580 0.953 0.651 CB 1.478 43 residues pruned to eliminate duplicates Z: 65 38.380 2.028 0.788 0.531 0.938 0.703 CB 1.368 45 residues pruned to eliminate duplicates Z: 11 15.211 1.877 0.517 0.814 0.900 0.600 CB 1.428 11 residues pruned to eliminate duplicates Z: 30 24.969 2.009 0.735 0.589 0.862 0.655 CB 1.416 11 residues pruned to eliminate duplicates Z: 13 20.206 1.802 0.634 0.879 1.000 0.500 CA 1.436 10 residues pruned to eliminate duplicates Z: 12 23.440 2.058 0.646 0.841 1.000 0.818 CA 1.556 12 residues pruned to eliminate duplicates Z: 13 33.775 2.120 0.921 0.891 1.000 0.667 CA 1.720 13 residues pruned to eliminate duplicates Z: 16 30.306 2.146 0.926 0.773 0.933 0.733 CA 1.593 16 residues pruned to eliminate duplicates Z: 21 34.133 2.289 0.655 0.823 0.950 0.800 CA 1.604 21 residues pruned to eliminate duplicates Z: 11 26.736 2.244 0.777 0.877 1.000 0.300 CB 1.540 11 residues pruned to eliminate duplicates Z: 14 26.013 2.192 0.702 0.906 0.923 0.692 CB 1.489 14 residues pruned to eliminate duplicates Z: 108 80.258 2.359 0.819 0.664 0.925 0.542 CA 1.679 108 residues pruned to eliminate duplicates Z: 22 36.107 2.284 0.852 0.841 0.905 0.619 CA 1.535 22 residues pruned to eliminate duplicates Z: 14 41.780 2.262 1.223 0.881 1.000 0.538 CA 1.668 14 residues pruned to eliminate duplicates Z: 13 41.875 2.223 1.277 0.931 1.000 0.917 CA 1.670 13 residues pruned to eliminate duplicates Z: 27 19.828 2.109 0.479 0.490 0.885 0.692 CA 1.423 23 residues pruned to eliminate duplicates Z: 25 31.736 2.173 0.996 0.499 0.917 0.583 CA 1.631 25 residues pruned to eliminate duplicates Z: 14 40.380 2.288 1.162 0.870 1.000 0.692 CB 1.652 14 residues pruned to eliminate duplicates Z: 14 31.728 2.291 0.736 0.902 1.000 0.923 CA 1.578 14 residues pruned to eliminate duplicates Z: 13 23.674 1.982 0.757 0.901 1.000 0.750 CA 1.401 13 residues pruned to eliminate duplicates Z: 13 33.935 2.189 0.832 0.896 1.000 0.583 CB 1.749 13 residues pruned to eliminate duplicates Z: 8 8.361 1.703 0.702 0.701 1.000 0.571 CA 0.908 8 residues pruned to eliminate duplicates Z: 11 15.986 2.151 0.381 0.918 1.000 1.000 CA 1.200 11 residues pruned to eliminate duplicates Z: 129 94.474 2.305 0.974 0.662 0.945 0.539 CA 1.671 129 residues pruned to eliminate duplicates Z: 78 37.274 2.016 0.731 0.482 0.896 0.506 CB 1.383 64 residues pruned to eliminate duplicates Z: 136 78.884 2.263 0.904 0.629 0.911 0.496 CB 1.531 121 residues pruned to eliminate duplicates Z: 13 50.758 2.499 1.501 0.923 1.000 0.667 CB 1.648 13 residues pruned to eliminate duplicates Z: 14 32.473 2.232 0.995 0.890 0.923 0.846 CB 1.576 14 residues pruned to eliminate duplicates Z: 9 13.719 2.012 0.944 0.403 0.875 0.875 CB 1.570 9 residues pruned to eliminate duplicates Z: 21 39.371 2.181 0.998 0.842 0.950 0.550 CB 1.585 21 residues pruned to eliminate duplicates Z: 12 16.877 1.831 0.637 0.897 1.000 1.000 CB 1.215 Z: 131 85.317 2.293 0.920 0.648 0.900 0.585 CA 1.644 131 residues pruned to eliminate duplicates Z: 11 29.476 2.300 0.794 0.903 1.000 0.700 CB 1.610 11 residues pruned to eliminate duplicates Z: 13 44.705 2.597 0.985 0.925 1.000 0.917 CA 1.757 13 residues pruned to eliminate duplicates Z: 31 22.436 1.993 0.717 0.561 0.833 0.533 CB 1.354 30 residues pruned to eliminate duplicates Z: 10 18.829 2.305 0.208 0.920 1.000 0.889 CA 1.588 10 residues pruned to eliminate duplicates Z: 15 29.777 2.249 0.831 0.869 0.929 0.786 CA 1.520 15 residues pruned to eliminate duplicates Z: 14 22.590 2.041 0.622 0.866 1.000 0.846 CA 1.384 14 residues pruned to eliminate duplicates Z: 19 32.541 2.184 0.983 0.850 0.889 0.389 CB 1.476 19 residues pruned to eliminate duplicates Z: 16 33.539 2.107 0.944 0.929 1.000 0.667 CA 1.480 Z: 14 27.582 2.269 0.896 0.787 0.923 0.692 CB 1.497 14 residues pruned to eliminate duplicates Z: 17 30.338 2.081 0.785 0.876 1.000 0.750 CA 1.484 16 residues pruned to eliminate duplicates Z: 22 21.938 1.923 0.415 0.836 0.952 0.667 CB 1.382 20 residues pruned to eliminate duplicates Z: 14 32.317 2.209 0.915 0.889 1.000 1.000 CA 1.526 14 residues pruned to eliminate duplicates Z: 22 31.783 2.143 0.907 0.834 0.810 0.476 CB 1.572 22 residues pruned to eliminate duplicates Z: 18 18.019 2.167 0.859 0.438 0.765 0.471 CB 1.512 18 residues pruned to eliminate duplicates Z: 12 20.174 2.109 0.539 0.867 1.000 0.909 CA 1.372 12 residues pruned to eliminate duplicates Z: 13 19.238 1.871 0.947 0.890 1.000 0.750 CA 1.097 13 residues pruned to eliminate duplicates Z: 12 19.287 2.224 0.315 0.820 1.000 0.818 CB 1.507 12 residues pruned to eliminate duplicates Z: 19 31.195 2.254 0.493 0.883 1.000 0.833 CA 1.580 19 residues pruned to eliminate duplicates Z: 17 26.869 2.181 0.404 0.930 1.000 0.875 CA 1.534 17 residues pruned to eliminate duplicates Z: 18 25.560 1.991 0.851 0.901 0.941 0.824 CA 1.276 18 residues pruned to eliminate duplicates Z: 22 33.893 2.151 0.893 0.829 0.857 0.476 CA 1.595 22 residues pruned to eliminate duplicates Z: 12 23.410 2.050 1.047 0.919 0.909 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 21 39.105 2.186 1.023 0.886 0.950 0.650 CA 1.501 21 residues pruned to eliminate duplicates Z: 20 39.123 2.206 0.862 0.874 0.947 0.789 CA 1.678 20 residues pruned to eliminate duplicates Z: 13 32.472 2.096 0.940 0.902 1.000 0.417 CB 1.643 13 residues pruned to eliminate duplicates Z: 12 24.477 2.216 0.615 0.883 1.000 0.818 CA 1.491 12 residues pruned to eliminate duplicates Z: 38 31.549 2.201 0.935 0.525 0.811 0.486 CB 1.466 38 residues pruned to eliminate duplicates Z: 12 28.656 2.157 0.965 0.873 1.000 0.818 CB 1.485 12 residues pruned to eliminate duplicates Z: 21 45.370 2.222 1.117 0.886 0.950 0.800 CA 1.638 21 residues pruned to eliminate duplicates Z: 19 22.377 2.072 0.699 0.681 1.000 0.722 CA 1.268 19 residues pruned to eliminate duplicates Z: 20 35.501 2.295 0.798 0.855 0.947 0.684 CA 1.537 20 residues pruned to eliminate duplicates Z: 12 28.684 2.161 0.898 0.872 1.000 0.727 CA 1.536 12 residues pruned to eliminate duplicates Z: 104 79.823 2.312 0.953 0.659 0.922 0.650 CA 1.630 104 residues pruned to eliminate duplicates Z: 111 84.339 2.249 0.953 0.662 0.955 0.655 CA 1.650 128 residues pruned to eliminate duplicates Z: 8 7.853 1.800 0.785 0.606 0.714 0.714 CB 1.170 Z: 9 16.066 1.825 0.644 0.836 0.875 0.750 N 1.620 9 residues pruned to eliminate duplicates Z: 10 24.556 2.043 0.772 0.881 1.000 0.778 CB 1.636 10 residues pruned to eliminate duplicates Z: 12 26.842 2.119 0.720 0.890 1.000 0.818 CA 1.598 12 residues pruned to eliminate duplicates Z: 9 26.160 2.243 0.849 0.900 1.000 1.000 CA 1.593 9 residues pruned to eliminate duplicates Z: 21 35.906 2.280 0.881 0.856 0.850 0.600 CA 1.624 21 residues pruned to eliminate duplicates Z: 20 38.203 2.130 1.145 0.857 0.947 0.632 CA 1.492 20 residues pruned to eliminate duplicates Z: 92 70.126 2.270 1.017 0.622 0.868 0.593 CA 1.648 92 residues pruned to eliminate duplicates Z: 10 34.218 2.424 1.176 0.929 0.889 0.556 CB 1.703 10 residues pruned to eliminate duplicates Z: 94 73.721 2.293 1.016 0.652 0.914 0.602 CB 1.571 96 residues pruned to eliminate duplicates Z: 9 6.355 1.832 0.263 0.517 0.750 0.250 CA 1.273 9 residues pruned to eliminate duplicates Z: 24 18.308 1.780 0.476 0.800 0.870 0.609 CB 1.286 24 residues pruned to eliminate duplicates Z: 21 33.939 2.259 0.832 0.894 0.850 0.750 CA 1.548 21 residues pruned to eliminate duplicates Z: 111 73.871 2.307 0.800 0.629 0.891 0.636 CA 1.685 111 residues pruned to eliminate duplicates Z: 11 12.026 2.113 0.255 0.855 0.900 0.800 CA 1.176 11 residues pruned to eliminate duplicates Z: 11 22.270 1.979 0.624 0.883 1.000 0.800 CA 1.584 11 residues pruned to eliminate duplicates Z: 14 18.584 2.040 0.675 0.742 0.846 0.538 CA 1.435 14 residues pruned to eliminate duplicates Z: 8 7.887 1.865 0.705 0.409 0.857 0.857 CB 1.203 Z: 12 40.164 2.250 1.395 0.889 1.000 0.727 CB 1.618 12 residues pruned to eliminate duplicates Z: 12 26.179 2.053 1.055 0.886 1.000 0.818 CB 1.350 12 residues pruned to eliminate duplicates Z: 21 39.771 2.174 0.964 0.849 0.900 0.600 CB 1.715 21 residues pruned to eliminate duplicates Z: 18 20.282 1.962 0.444 0.867 1.000 0.824 CA 1.270 Z: 17 29.670 2.227 0.669 0.893 0.938 0.688 CA 1.528 17 residues pruned to eliminate duplicates Z: 14 20.359 1.996 0.533 0.888 1.000 0.692 CA 1.330 14 residues pruned to eliminate duplicates Z: 142 82.823 2.272 0.835 0.597 0.936 0.624 CA 1.629 142 residues pruned to eliminate duplicates Z: 30 27.899 1.955 0.839 0.579 0.931 0.517 CB 1.434 48 residues pruned to eliminate duplicates Z: 14 16.373 1.829 0.633 0.878 0.923 0.692 CA 1.195 14 residues pruned to eliminate duplicates Z: 8 8.907 1.836 0.692 0.359 0.857 0.571 CB 1.471 8 residues pruned to eliminate duplicates Z: 13 32.143 2.260 0.925 0.849 0.917 0.500 CB 1.725 13 residues pruned to eliminate duplicates Z: 9 3.405 1.718 0.424 0.322 0.625 0.250 CB 0.958 Z: 17 16.779 1.828 0.559 0.866 0.938 0.625 CB 1.149 Z: 8 7.788 1.737 0.413 0.763 1.000 0.714 CA 0.950 8 residues pruned to eliminate duplicates Z: 13 21.631 1.974 0.727 0.890 0.917 0.750 CA 1.437 13 residues pruned to eliminate duplicates Z: 19 21.187 1.929 0.487 0.865 0.889 0.833 CB 1.434 19 residues pruned to eliminate duplicates Z: 13 31.827 2.218 0.957 0.831 1.000 0.667 CB 1.591 13 residues pruned to eliminate duplicates Z: 13 24.983 2.009 0.948 0.888 0.917 0.667 CA 1.449 13 residues pruned to eliminate duplicates Z: 8 9.981 1.771 0.159 0.849 1.000 1.000 CB 1.362 8 residues pruned to eliminate duplicates Z: 12 23.266 2.222 0.733 0.905 0.909 0.909 CA 1.426 12 residues pruned to eliminate duplicates Z: 13 32.227 2.327 0.812 0.823 1.000 0.750 CA 1.667 13 residues pruned to eliminate duplicates Z: 20 38.653 2.319 0.704 0.878 1.000 0.632 CA 1.628 20 residues pruned to eliminate duplicates Z: 10 8.278 1.724 0.764 0.411 0.778 0.444 CB 1.281 8 residues pruned to eliminate duplicates Z: 28 38.706 2.286 1.151 0.630 0.852 0.444 CB 1.573 28 residues pruned to eliminate duplicates Z: 89 71.216 2.280 0.857 0.695 0.920 0.693 CA 1.630 89 residues pruned to eliminate duplicates Z: 14 28.878 2.076 1.023 0.887 0.923 0.769 CA 1.489 14 residues pruned to eliminate duplicates Z: 19 25.644 2.228 0.479 0.805 0.944 0.778 CA 1.489 19 residues pruned to eliminate duplicates Z: 18 28.119 2.098 0.826 0.851 0.882 0.706 CA 1.493 18 residues pruned to eliminate duplicates Z: 14 17.471 1.978 0.685 0.849 0.846 0.692 CA 1.273 14 residues pruned to eliminate duplicates Z: 18 51.401 2.429 1.397 0.842 0.941 0.647 CB 1.695 29 residues pruned to eliminate duplicates Z: 12 24.479 1.960 0.888 0.906 1.000 0.727 CA 1.419 12 residues pruned to eliminate duplicates Z: 15 26.558 2.053 1.059 0.706 0.929 0.643 CA 1.499 15 residues pruned to eliminate duplicates Z: 13 45.669 2.463 1.272 0.932 1.000 0.833 CB 1.645 13 residues pruned to eliminate duplicates Z: 18 39.427 2.104 1.166 0.897 1.000 0.588 CA 1.501 18 residues pruned to eliminate duplicates Z: 21 16.674 1.925 0.769 0.528 0.850 0.450 CB 1.253 28 residues pruned to eliminate duplicates Z: 6 9.386 1.894 0.304 0.733 0.800 0.800 O 1.724 6 residues pruned to eliminate duplicates Z: 17 19.504 1.948 0.549 0.820 0.938 0.875 CA 1.306 Z: 6 9.575 1.917 0.158 0.861 1.000 0.600 CB 1.417 6 residues pruned to eliminate duplicates Z: 10 4.822 1.823 0.569 0.266 0.889 0.222 CB 0.826 Z: 12 26.826 2.155 0.951 0.917 1.000 0.545 CB 1.358 12 residues pruned to eliminate duplicates Z: 51 48.105 2.253 0.974 0.644 0.880 0.540 CB 1.519 51 residues pruned to eliminate duplicates Z: 6 8.167 1.613 0.331 0.857 1.000 1.000 CB 1.254 6 residues pruned to eliminate duplicates Z: 36 34.932 2.175 0.937 0.531 0.943 0.571 CB 1.442 34 residues pruned to eliminate duplicates Z: 131 91.125 2.299 1.009 0.664 0.908 0.592 CA 1.638 148 residues pruned to eliminate duplicates Z: 21 30.716 2.154 0.793 0.834 0.950 0.700 CA 1.404 21 residues pruned to eliminate duplicates Z: 13 42.149 2.382 1.110 0.890 1.000 0.917 CA 1.742 13 residues pruned to eliminate duplicates Z: 13 41.715 2.330 1.220 0.897 1.000 0.583 CA 1.667 13 residues pruned to eliminate duplicates Z: 11 29.743 2.238 0.814 0.903 1.000 0.800 CA 1.651 11 residues pruned to eliminate duplicates Z: 51 34.432 2.191 0.774 0.538 0.840 0.520 CB 1.438 51 residues pruned to eliminate duplicates Z: 6 8.383 1.797 0.966 0.627 0.800 0.600 CB 1.177 Z: 10 27.828 2.068 0.900 0.908 1.000 0.889 CB 1.676 10 residues pruned to eliminate duplicates Z: 18 20.505 1.914 0.665 0.846 0.882 0.706 CA 1.314 18 residues pruned to eliminate duplicates Z: 12 19.750 2.015 0.546 0.932 1.000 0.818 CB 1.335 13 residues pruned to eliminate duplicates Z: 12 17.510 1.799 0.737 0.898 1.000 0.909 CA 1.209 11 residues pruned to eliminate duplicates Z: 21 24.349 1.888 0.563 0.872 0.950 0.850 CA 1.415 21 residues pruned to eliminate duplicates Z: 15 35.234 2.149 1.037 0.829 1.000 0.429 CA 1.618 15 residues pruned to eliminate duplicates Z: 7 4.577 1.902 0.685 0.385 0.667 0.500 CA 0.988 7 residues pruned to eliminate duplicates Z: 17 45.409 2.379 1.377 0.919 0.938 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 18 18.470 1.985 0.791 0.615 0.882 0.647 CA 1.282 18 residues pruned to eliminate duplicates Z: 28 18.459 1.904 0.527 0.510 0.963 0.667 CB 1.257 Z: 13 12.978 1.788 0.222 0.804 1.000 0.917 CA 1.315 13 residues pruned to eliminate duplicates Z: 10 8.312 1.710 0.510 0.663 1.000 0.556 CB 0.923 10 residues pruned to eliminate duplicates Z: 10 8.959 1.861 0.713 0.423 0.778 0.444 CB 1.305 10 residues pruned to eliminate duplicates Z: 20 17.462 1.921 0.787 0.516 0.842 0.579 CB 1.364 24 residues pruned to eliminate duplicates Z: 13 14.298 1.912 0.124 0.893 1.000 0.833 CB 1.379 13 residues pruned to eliminate duplicates Z: 19 32.307 2.161 0.862 0.857 0.944 0.611 CB 1.477 19 residues pruned to eliminate duplicates Z: 94 62.445 2.227 0.828 0.647 0.903 0.613 CB 1.535 94 residues pruned to eliminate duplicates Z: 7 3.910 1.829 0.660 0.270 0.500 0.333 CB 1.366 5 residues pruned to eliminate duplicates Z: 17 24.648 1.935 0.729 0.851 1.000 0.688 CA 1.363 Z: 20 35.649 2.303 0.910 0.911 0.842 0.789 CA 1.565 20 residues pruned to eliminate duplicates Z: 133 81.511 2.291 0.916 0.647 0.886 0.629 CA 1.590 150 residues pruned to eliminate duplicates Z: 18 20.122 1.790 0.943 0.860 0.882 0.824 CB 1.170 18 residues pruned to eliminate duplicates Z: 20 21.879 1.931 0.709 0.819 0.895 0.789 CB 1.289 20 residues pruned to eliminate duplicates Z: 8 5.117 1.802 -0.181 0.639 1.000 0.571 CB 1.151 Z: 10 22.291 2.057 1.116 0.894 0.889 0.667 CB 1.378 10 residues pruned to eliminate duplicates Z: 113 85.346 2.320 0.983 0.654 0.911 0.670 CA 1.668 112 residues pruned to eliminate duplicates Z: 12 16.402 1.863 0.587 0.904 1.000 0.818 CB 1.192 12 residues pruned to eliminate duplicates Z: 81 71.868 2.259 1.175 0.671 0.863 0.600 CB 1.619 79 residues pruned to eliminate duplicates Z: 14 21.392 1.965 0.715 0.856 0.923 0.692 CB 1.407 14 residues pruned to eliminate duplicates Z: 12 20.957 2.031 0.694 0.911 1.000 0.909 CA 1.302 12 residues pruned to eliminate duplicates Z: 8 7.197 1.768 0.489 0.693 0.714 0.429 CB 1.213 8 residues pruned to eliminate duplicates Z: 12 12.273 1.830 0.183 0.856 1.000 0.727 CB 1.261 12 residues pruned to eliminate duplicates Z: 8 8.033 1.857 0.415 0.795 0.714 0.429 CB 1.249 8 residues pruned to eliminate duplicates Z: 7 9.915 1.729 0.286 0.792 1.000 0.833 N 1.409 Z: 107 73.679 2.356 0.725 0.642 0.943 0.689 CA 1.635 107 residues pruned to eliminate duplicates Z: 10 9.677 1.706 0.455 0.795 0.889 0.778 CB 1.130 8 residues pruned to eliminate duplicates Z: 18 22.214 1.959 0.780 0.837 0.882 0.765 CA 1.309 Z: 16 14.037 2.114 0.703 0.442 0.800 0.467 CB 1.336 16 residues pruned to eliminate duplicates Z: 131 85.879 2.295 0.964 0.654 0.892 0.623 CA 1.623 133 residues pruned to eliminate duplicates Z: 13 18.714 1.985 0.611 0.839 0.917 0.917 CA 1.377 13 residues pruned to eliminate duplicates Z: 17 15.573 1.853 0.277 0.846 0.938 0.812 CB 1.304 17 residues pruned to eliminate duplicates Z: 17 24.376 1.887 0.773 0.866 0.938 0.875 CB 1.422 17 residues pruned to eliminate duplicates Z: 13 16.771 2.065 0.631 0.743 0.917 0.500 CA 1.262 13 residues pruned to eliminate duplicates Z: 11 24.137 2.252 0.591 0.886 1.000 0.700 CA 1.538 11 residues pruned to eliminate duplicates Z: 13 19.943 2.069 0.760 0.857 0.917 0.750 CA 1.271 12 residues pruned to eliminate duplicates Z: 30 13.743 1.872 0.387 0.421 0.828 0.414 CB 1.289 12 residues pruned to eliminate duplicates Z: 11 22.711 2.163 0.698 0.857 1.000 0.800 CA 1.440 11 residues pruned to eliminate duplicates Z: 6 2.972 1.724 0.925 0.535 0.600 0.400 N 0.645 Z: 9 8.807 1.745 0.172 0.890 0.875 0.750 CB 1.252 Z: 17 45.674 2.441 1.317 0.852 0.938 0.500 CB 1.593 17 residues pruned to eliminate duplicates Z: 15 32.581 2.140 1.100 0.874 1.000 0.857 CA 1.410 15 residues pruned to eliminate duplicates Z: 15 23.877 2.236 1.235 0.547 0.857 0.357 CA 1.422 15 residues pruned to eliminate duplicates Z: 91 80.472 2.323 1.003 0.700 0.933 0.622 CA 1.627 109 residues pruned to eliminate duplicates Z: 13 37.502 2.246 1.145 0.871 1.000 0.500 CA 1.639 13 residues pruned to eliminate duplicates Z: 15 24.856 1.905 0.949 0.910 1.000 0.857 CB 1.269 15 residues pruned to eliminate duplicates Z: 11 22.383 2.112 1.015 0.887 0.800 0.500 CB 1.499 11 residues pruned to eliminate duplicates Z: 6 8.189 1.929 0.427 0.721 1.000 0.400 CB 1.089 6 residues pruned to eliminate duplicates Z: 14 24.218 1.904 0.931 0.826 1.000 0.538 CA 1.378 16 residues pruned to eliminate duplicates Z: 14 42.261 2.285 1.200 0.885 1.000 0.692 CB 1.684 14 residues pruned to eliminate duplicates Z: 16 20.943 2.003 0.514 0.889 1.000 0.733 CA 1.283 Z: 10 10.258 1.783 0.676 0.499 0.889 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 13 33.820 2.298 1.234 0.878 0.917 0.333 CB 1.505 13 residues pruned to eliminate duplicates Z: 59 47.332 2.216 0.845 0.595 0.828 0.552 CA 1.678 59 residues pruned to eliminate duplicates Z: 20 19.759 1.940 0.363 0.845 0.895 0.684 CA 1.424 20 residues pruned to eliminate duplicates Z: 21 22.651 1.924 0.566 0.852 0.900 0.850 CA 1.381 21 residues pruned to eliminate duplicates Z: 9 13.441 2.088 0.316 0.804 0.875 0.375 CB 1.515 11 residues pruned to eliminate duplicates Z: 7 9.029 1.939 0.226 0.841 0.833 0.833 CA 1.387 7 residues pruned to eliminate duplicates Z: 15 23.577 1.954 0.803 0.937 1.000 0.929 CB 1.244 15 residues pruned to eliminate duplicates Z: 77 59.158 2.209 0.844 0.687 0.947 0.697 CA 1.481 77 residues pruned to eliminate duplicates Z: 16 36.691 2.179 1.037 0.934 0.933 0.467 CA 1.595 16 residues pruned to eliminate duplicates Z: 12 26.637 1.896 1.179 0.909 1.000 0.455 CA 1.380 18 residues pruned to eliminate duplicates Z: 12 12.454 1.791 0.199 0.794 1.000 0.636 CA 1.351 13 residues pruned to eliminate duplicates Z: 15 28.758 2.112 0.965 0.909 0.857 0.500 CB 1.534 15 residues pruned to eliminate duplicates Z: 14 26.891 1.908 1.123 0.850 1.000 0.462 CA 1.364 14 residues pruned to eliminate duplicates Z: 18 22.229 2.013 0.985 0.624 0.882 0.471 CB 1.360 13 residues pruned to eliminate duplicates Z: 6 9.488 1.740 1.220 0.771 0.600 0.400 CA 1.441 6 residues pruned to eliminate duplicates Z: 7 4.638 1.567 0.180 0.621 0.833 0.667 CB 1.096 7 residues pruned to eliminate duplicates Z: 22 36.056 2.195 0.791 0.881 0.952 0.619 CA 1.522 22 residues pruned to eliminate duplicates Z: 13 23.076 1.989 0.887 0.908 0.833 0.667 CA 1.513 13 residues pruned to eliminate duplicates Z: 19 16.038 2.117 0.804 0.491 0.722 0.611 CB 1.383 19 residues pruned to eliminate duplicates Z: 11 8.711 1.754 0.501 0.471 0.800 0.600 CB 1.347 10 residues pruned to eliminate duplicates Z: 19 35.686 2.277 1.062 0.876 0.889 0.611 CA 1.465 19 residues pruned to eliminate duplicates Z: 54 42.909 2.217 0.852 0.592 0.925 0.415 CB 1.422 54 residues pruned to eliminate duplicates Z: 19 20.441 1.927 0.522 0.844 0.944 0.778 CA 1.295 18 residues pruned to eliminate duplicates Z: 18 26.283 1.791 0.978 0.857 1.000 0.529 CB 1.326 17 residues pruned to eliminate duplicates Z: 13 23.909 1.873 1.115 0.840 1.000 0.667 CA 1.300 14 residues pruned to eliminate duplicates Z: 131 81.504 2.234 0.981 0.615 0.900 0.615 CA 1.609 131 residues pruned to eliminate duplicates Z: 11 23.087 2.090 0.739 0.934 1.000 1.000 CB 1.401 13 residues pruned to eliminate duplicates Z: 35 21.147 1.883 0.592 0.552 0.882 0.500 CB 1.303 18 residues pruned to eliminate duplicates Z: 12 24.926 2.178 0.767 0.914 1.000 0.727 CA 1.381 12 residues pruned to eliminate duplicates Z: 11 7.323 1.797 1.342 0.376 0.600 0.300 CB 1.047 11 residues pruned to eliminate duplicates Z: 17 9.150 1.916 0.205 0.527 0.750 0.500 CB 1.286 17 residues pruned to eliminate duplicates Z: 10 26.187 2.049 1.358 0.855 1.000 0.778 CA 1.333 10 residues pruned to eliminate duplicates Z: 17 24.263 2.019 0.668 0.887 1.000 0.812 CA 1.299 18 residues pruned to eliminate duplicates Z: 11 24.311 2.159 0.848 0.897 0.900 0.500 CB 1.533 11 residues pruned to eliminate duplicates Z: 12 17.898 1.970 0.665 0.929 1.000 1.000 CA 1.152 12 residues pruned to eliminate duplicates Z: 7 4.065 1.545 -0.094 0.775 1.000 0.333 N 0.930 7 residues pruned to eliminate duplicates Z: 8 9.804 1.854 0.184 0.876 1.000 0.286 CB 1.227 9 residues pruned to eliminate duplicates Z: 11 20.813 2.064 0.695 0.917 1.000 0.900 CA 1.328 11 residues pruned to eliminate duplicates Z: 50 30.236 1.912 0.510 0.666 0.959 0.653 CB 1.338 46 residues pruned to eliminate duplicates Z: 18 48.023 2.395 1.546 0.879 0.882 0.412 CB 1.570 18 residues pruned to eliminate duplicates Z: 28 28.713 2.000 0.814 0.623 0.926 0.407 CB 1.464 44 residues pruned to eliminate duplicates Z: 11 16.555 1.876 0.801 0.907 1.000 0.800 CB 1.101 11 residues pruned to eliminate duplicates Z: 63 30.529 1.951 0.567 0.528 0.919 0.661 CB 1.342 64 residues pruned to eliminate duplicates Z: 100 79.219 2.288 0.999 0.664 0.919 0.576 CA 1.628 100 residues pruned to eliminate duplicates Z: 86 36.921 1.978 0.647 0.489 0.918 0.576 CB 1.355 85 residues pruned to eliminate duplicates Z: 26 23.245 2.186 0.609 0.490 0.840 0.560 CA 1.590 26 residues pruned to eliminate duplicates Z: 10 11.912 1.831 0.315 0.837 0.889 0.333 CA 1.388 10 residues pruned to eliminate duplicates Z: 43 22.316 1.978 0.695 0.427 0.786 0.405 CB 1.410 43 residues pruned to eliminate duplicates Z: 6 7.575 1.764 0.474 0.782 0.800 0.400 CB 1.270 6 residues pruned to eliminate duplicates Z: 10 15.844 2.076 0.453 0.852 1.000 0.778 CA 1.295 10 residues pruned to eliminate duplicates Z: 9 3.084 1.764 0.312 0.395 0.625 0.500 CB 0.843 Z: 12 19.136 2.011 0.743 0.893 0.818 0.545 CA 1.445 12 residues pruned to eliminate duplicates Z: 14 43.142 2.278 1.378 0.870 1.000 0.769 CA 1.612 14 residues pruned to eliminate duplicates Z: 14 20.333 1.875 0.953 0.819 0.923 0.538 CB 1.265 14 residues pruned to eliminate duplicates Z: 11 12.903 1.789 0.328 0.910 1.000 0.800 CB 1.218 Z: 12 18.091 1.893 0.561 0.903 0.818 0.636 CA 1.609 12 residues pruned to eliminate duplicates Z: 14 30.137 1.989 1.170 0.895 1.000 0.846 CA 1.388 14 residues pruned to eliminate duplicates Z: 9 20.478 2.239 0.593 0.895 1.000 0.875 CA 1.455 9 residues pruned to eliminate duplicates Z: 11 3.289 1.686 0.323 0.374 0.600 0.500 CB 0.889 Z: 19 19.994 1.909 0.776 0.677 0.889 0.667 CB 1.328 19 residues pruned to eliminate duplicates Z: 25 33.048 2.240 0.878 0.552 0.958 0.542 CA 1.591 25 residues pruned to eliminate duplicates Z: 9 6.298 1.577 0.606 0.690 0.750 0.250 N 0.985 9 residues pruned to eliminate duplicates Z: 18 21.590 1.810 1.146 0.841 0.882 0.529 CB 1.140 Z: 18 18.051 1.759 0.740 0.858 0.882 0.647 CB 1.194 18 residues pruned to eliminate duplicates Z: 10 16.811 1.976 0.616 0.778 0.889 0.667 CA 1.545 10 residues pruned to eliminate duplicates Z: 14 22.529 1.904 0.896 0.843 1.000 0.615 CA 1.289 13 residues pruned to eliminate duplicates Z: 85 80.534 2.324 0.905 0.748 0.940 0.679 CB 1.691 85 residues pruned to eliminate duplicates Z: 12 23.768 2.121 0.862 0.879 0.909 0.727 CB 1.447 12 residues pruned to eliminate duplicates Z: 11 24.292 1.894 0.832 0.881 1.000 0.900 CB 1.604 11 residues pruned to eliminate duplicates Z: 14 22.901 1.963 0.714 0.904 1.000 0.846 CA 1.344 14 residues pruned to eliminate duplicates Z: 12 18.315 2.083 0.930 0.820 0.727 0.545 CA 1.431 12 residues pruned to eliminate duplicates Z: 17 14.664 1.961 0.590 0.382 1.000 0.500 CB 1.334 17 residues pruned to eliminate duplicates Z: 90 63.670 2.269 0.738 0.613 0.910 0.607 CA 1.689 90 residues pruned to eliminate duplicates Z: 8 5.446 1.481 0.730 0.500 0.714 0.286 N 1.124 8 residues pruned to eliminate duplicates Z: 19 29.251 2.164 0.517 0.881 1.000 0.833 CA 1.520 19 residues pruned to eliminate duplicates Z: 48 42.046 2.117 0.694 0.696 0.936 0.702 CB 1.528 48 residues pruned to eliminate duplicates Z: 11 14.238 1.815 0.504 0.828 1.000 0.800 CA 1.242 11 residues pruned to eliminate duplicates Z: 7 3.345 1.652 0.143 0.283 0.667 0.500 CA 1.386 7 residues pruned to eliminate duplicates Z: 15 21.530 1.821 0.877 0.851 1.000 0.714 CA 1.246 15 residues pruned to eliminate duplicates Z: 13 18.165 1.932 0.523 0.889 1.000 0.750 CA 1.283 13 residues pruned to eliminate duplicates Z: 19 20.867 1.913 0.404 0.877 1.000 0.722 CB 1.330 19 residues pruned to eliminate duplicates Z: 12 22.307 2.056 0.489 0.939 1.000 1.000 CB 1.527 12 residues pruned to eliminate duplicates Z: 7 3.257 1.615 0.204 0.327 0.667 0.333 CB 1.240 Z: 9 10.792 1.861 0.333 0.879 1.000 0.875 CB 1.116 9 residues pruned to eliminate duplicates Z: 10 5.377 1.507 0.795 0.391 0.889 0.667 CA 0.836 Z: 23 14.908 1.932 0.563 0.396 0.955 0.591 CB 1.231 23 residues pruned to eliminate duplicates Z: 21 46.317 2.274 0.990 0.869 1.000 0.600 CA 1.673 21 residues pruned to eliminate duplicates Z: 11 17.929 2.055 0.499 0.906 0.900 0.800 CA 1.455 11 residues pruned to eliminate duplicates Z: 6 11.397 1.901 0.616 0.815 0.800 0.400 CB 1.578 6 residues pruned to eliminate duplicates Z: 13 12.712 1.697 0.730 0.858 1.000 0.833 CB 0.921 13 residues pruned to eliminate duplicates Z: 11 14.200 2.099 0.173 0.913 0.900 0.800 CB 1.434 11 residues pruned to eliminate duplicates Z: 12 29.815 2.034 1.233 0.916 0.909 0.636 CB 1.537 12 residues pruned to eliminate duplicates Z: 12 18.210 1.828 0.696 0.915 1.000 0.909 CB 1.252 12 residues pruned to eliminate duplicates Z: 26 17.585 1.873 0.480 0.589 0.920 0.600 CB 1.266 28 residues pruned to eliminate duplicates Z: 94 73.472 2.308 0.934 0.637 0.892 0.581 CA 1.682 94 residues pruned to eliminate duplicates Z: 8 8.976 1.798 0.405 0.552 0.857 0.429 CB 1.490 8 residues pruned to eliminate duplicates Z: 42 46.803 2.157 0.980 0.649 0.951 0.585 CA 1.566 42 residues pruned to eliminate duplicates Z: 44 39.391 2.175 0.970 0.622 0.884 0.465 CB 1.415 44 residues pruned to eliminate duplicates Z: 16 35.219 2.455 0.601 0.924 0.933 0.867 CB 1.741 16 residues pruned to eliminate duplicates Z: 6 3.843 1.805 0.067 0.648 0.800 0.600 CB 0.972 6 residues pruned to eliminate duplicates Z: 6 2.798 1.462 0.693 0.483 0.600 0.600 CB 0.857 6 1.243 1.734 0.766 0.300 1.000 0.400 CB 0.227 ? Z: 127 91.979 2.284 0.982 0.668 0.921 0.563 CA 1.683 145 residues pruned to eliminate duplicates Z: 7 3.519 1.592 0.390 0.243 0.833 0.500 CB 1.049 Z: 12 24.276 1.992 0.854 0.910 1.000 0.364 CB 1.406 18 residues pruned to eliminate duplicates Z: 21 25.591 2.127 0.768 0.849 0.850 0.700 CA 1.327 21 residues pruned to eliminate duplicates Z: 11 15.892 2.164 0.386 0.842 1.000 0.700 CB 1.248 11 residues pruned to eliminate duplicates Z: 98 80.251 2.296 0.957 0.709 0.938 0.629 CB 1.598 108 residues pruned to eliminate duplicates Z: 8 14.025 1.966 0.901 0.703 0.857 0.714 CB 1.376 8 residues pruned to eliminate duplicates Z: 6 7.195 1.860 0.399 0.551 1.000 0.400 N 1.177 8 0.748 1.412 0.181 0.079 0.571 0.286 CB 0.512 ? Z: 32 29.567 2.223 0.927 0.557 0.774 0.484 CA 1.515 32 residues pruned to eliminate duplicates Z: 154 93.125 2.270 0.977 0.639 0.928 0.647 CA 1.587 150 residues pruned to eliminate duplicates Z: 19 20.777 1.933 0.962 0.583 0.833 0.722 CA 1.431 19 residues pruned to eliminate duplicates Z: 7 2.617 1.279 0.326 0.805 0.667 0.667 CB 0.724 7 residues pruned to eliminate duplicates Z: 13 18.841 1.838 0.524 0.800 1.000 0.583 CB 1.493 13 residues pruned to eliminate duplicates Z: 138 86.263 2.253 0.981 0.642 0.891 0.569 CB 1.623 138 residues pruned to eliminate duplicates Z: 14 30.832 2.247 0.848 0.885 1.000 0.923 CA 1.487 14 residues pruned to eliminate duplicates Z: 17 30.604 2.253 0.770 0.882 0.938 0.875 CB 1.481 17 residues pruned to eliminate duplicates Z: 16 16.951 2.081 0.784 0.379 0.867 0.600 CB 1.547 16 residues pruned to eliminate duplicates Z: 23 14.435 1.865 0.561 0.401 0.955 0.500 CB 1.229 23 residues pruned to eliminate duplicates Z: 12 33.674 2.265 0.935 0.921 1.000 1.000 CA 1.629 12 residues pruned to eliminate duplicates Z: 7 6.616 1.679 0.457 0.746 0.667 0.333 CB 1.329 7 residues pruned to eliminate duplicates Z: 14 8.374 1.908 1.321 0.279 0.615 0.462 CB 1.094 14 residues pruned to eliminate duplicates Z: 41 34.854 2.193 0.721 0.520 0.900 0.625 CB 1.591 41 residues pruned to eliminate duplicates Z: 8 10.120 1.798 0.336 0.799 1.000 0.286 CB 1.226 8 residues pruned to eliminate duplicates Z: 7 3.218 1.535 0.570 0.719 1.000 0.667 CA 0.447 7 residues pruned to eliminate duplicates Z: 18 18.004 1.904 0.562 0.803 1.000 0.706 CA 1.127 Z: 28 17.344 1.927 0.503 0.410 0.889 0.667 CB 1.425 28 residues pruned to eliminate duplicates Z: 20 18.907 1.890 0.664 0.549 0.947 0.684 CB 1.388 20 residues pruned to eliminate duplicates Z: 9 3.142 1.785 0.482 0.379 0.750 0.500 CB 0.637 Z: 17 28.259 2.039 0.899 0.864 1.000 0.875 CA 1.337 18 residues pruned to eliminate duplicates Z: 10 9.408 1.706 0.271 0.892 0.889 0.667 CA 1.169 10 residues pruned to eliminate duplicates Z: 10 16.671 1.993 0.504 0.901 1.000 0.889 CA 1.323 10 residues pruned to eliminate duplicates Z: 12 25.960 2.212 0.671 0.886 0.909 0.909 CA 1.680 12 residues pruned to eliminate duplicates Z: 7 5.310 1.672 0.293 0.617 0.833 0.667 CA 1.078 7 residues pruned to eliminate duplicates Z: 44 35.647 2.065 0.913 0.590 0.907 0.605 CB 1.393 44 residues pruned to eliminate duplicates Z: 34 23.308 2.029 0.781 0.558 0.848 0.545 CB 1.251 34 residues pruned to eliminate duplicates Z: 12 23.318 1.989 0.786 0.930 1.000 0.818 CA 1.383 12 residues pruned to eliminate duplicates Z: 30 36.621 2.239 1.097 0.594 0.862 0.552 CB 1.536 28 residues pruned to eliminate duplicates Z: 25 39.595 2.228 0.832 0.721 0.958 0.667 CB 1.692 25 residues pruned to eliminate duplicates Z: 124 73.014 2.266 0.836 0.594 0.886 0.553 CA 1.632 124 residues pruned to eliminate duplicates Z: 15 23.802 2.051 0.859 0.892 0.857 0.571 CA 1.398 15 residues pruned to eliminate duplicates Z: 10 17.031 1.975 0.463 0.836 1.000 0.889 CA 1.471 10 residues pruned to eliminate duplicates Z: 10 13.208 1.984 0.467 0.822 0.889 0.444 CB 1.288 10 residues pruned to eliminate duplicates Z: 13 18.664 1.888 0.510 0.888 1.000 0.833 CA 1.361 13 residues pruned to eliminate duplicates Z: 44 20.458 1.886 0.565 0.470 0.860 0.465 CB 1.265 44 residues pruned to eliminate duplicates Z: 9 6.492 1.634 0.219 0.826 0.875 0.750 CB 0.993 9 residues pruned to eliminate duplicates Z: 11 14.474 1.900 0.734 0.513 0.900 0.500 CA 1.524 11 residues pruned to eliminate duplicates Z: 31 16.864 1.884 0.454 0.392 0.933 0.633 CB 1.350 31 residues pruned to eliminate duplicates Z: 56 60.045 2.345 0.919 0.684 0.945 0.618 CA 1.607 56 residues pruned to eliminate duplicates Z: 7 6.009 1.490 0.284 0.480 1.000 0.833 CB 1.309 Z: 64 32.245 1.980 0.547 0.535 0.921 0.587 CB 1.391 64 residues pruned to eliminate duplicates Z: 24 19.524 1.954 0.420 0.714 0.957 0.739 CB 1.264 26 residues pruned to eliminate duplicates Z: 21 27.915 2.197 0.536 0.875 1.000 0.750 CA 1.345 21 residues pruned to eliminate duplicates Z: 9 12.463 2.044 0.065 0.846 1.000 0.750 CB 1.504 9 residues pruned to eliminate duplicates Z: 56 28.336 1.951 0.617 0.511 0.909 0.709 CB 1.318 56 residues pruned to eliminate duplicates Z: 16 23.471 2.061 0.804 0.898 0.867 0.533 CB 1.346 16 residues pruned to eliminate duplicates Z: 12 17.959 2.039 0.496 0.793 1.000 0.818 CA 1.373 12 residues pruned to eliminate duplicates Z: 19 26.767 2.110 0.668 0.847 1.000 0.778 CA 1.331 19 residues pruned to eliminate duplicates Z: 17 29.722 2.305 1.009 0.632 0.875 0.562 CA 1.620 17 residues pruned to eliminate duplicates Z: 12 19.970 2.073 0.824 0.860 0.909 0.818 CB 1.288 12 residues pruned to eliminate duplicates Z: 19 17.045 1.996 0.760 0.438 0.778 0.500 CA 1.568 19 residues pruned to eliminate duplicates Z: 43 19.183 1.766 0.609 0.530 0.833 0.524 CB 1.214 56 residues pruned to eliminate duplicates Z: 21 20.803 1.981 0.709 0.655 0.850 0.600 CB 1.400 14 residues pruned to eliminate duplicates Z: 14 6.207 1.695 0.224 0.430 0.769 0.462 CB 1.160 14 residues pruned to eliminate duplicates Z: 7 4.403 1.916 0.315 0.578 0.500 0.333 CA 1.324 Z: 14 3.545 1.399 0.561 0.343 0.615 0.462 CB 0.867 Z: 126 93.359 2.330 1.007 0.662 0.936 0.656 CA 1.641 126 residues pruned to eliminate duplicates Z: 13 12.628 1.807 0.558 0.559 0.917 0.667 CA 1.334 13 residues pruned to eliminate duplicates Z: 15 20.257 1.978 0.455 0.920 1.000 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 19 28.541 2.196 0.531 0.836 0.944 0.611 CB 1.586 19 residues pruned to eliminate duplicates Z: 13 15.513 1.941 0.492 0.835 0.833 0.750 CA 1.389 13 residues pruned to eliminate duplicates Z: 11 11.295 1.782 0.306 0.817 0.900 0.800 CA 1.294 11 residues pruned to eliminate duplicates Z: 16 11.858 1.964 0.255 0.445 1.000 0.467 CB 1.315 16 residues pruned to eliminate duplicates Z: 11 16.477 1.849 0.860 0.916 1.000 0.800 CB 1.070 11 residues pruned to eliminate duplicates Z: 6 13.819 2.060 0.733 0.658 1.000 1.000 CA 1.495 6 residues pruned to eliminate duplicates Z: 45 41.326 2.233 1.015 0.533 0.864 0.477 CB 1.552 45 residues pruned to eliminate duplicates Z: 7 11.378 1.858 0.656 0.728 0.833 0.667 N 1.475 7 residues pruned to eliminate duplicates Z: 104 80.860 2.274 0.976 0.674 0.913 0.621 CB 1.656 128 residues pruned to eliminate duplicates Z: 31 31.695 2.050 0.914 0.616 0.933 0.433 CB 1.416 31 residues pruned to eliminate duplicates Z: 8 10.812 1.700 0.390 0.861 0.857 0.714 CB 1.483 8 residues pruned to eliminate duplicates Z: 14 19.524 1.918 0.764 0.854 1.000 0.308 CB 1.182 14 residues pruned to eliminate duplicates Z: 16 21.423 1.861 0.660 0.920 1.000 0.600 CB 1.261 16 residues pruned to eliminate duplicates Z: 73 67.249 2.266 0.971 0.687 0.917 0.611 CA 1.630 73 residues pruned to eliminate duplicates Z: 12 12.808 1.772 0.488 0.885 1.000 0.909 CB 1.058 12 residues pruned to eliminate duplicates Z: 10 15.903 2.117 0.298 0.889 1.000 1.000 CA 1.389 10 residues pruned to eliminate duplicates Z: 18 26.165 1.902 0.774 0.876 0.941 0.765 CB 1.453 18 residues pruned to eliminate duplicates Z: 13 9.057 1.875 0.750 0.332 0.750 0.417 CA 1.277 13 residues pruned to eliminate duplicates Z: 92 52.127 2.181 0.723 0.586 0.868 0.571 CB 1.543 92 residues pruned to eliminate duplicates Z: 131 80.677 2.276 0.838 0.636 0.915 0.654 CA 1.626 131 residues pruned to eliminate duplicates Z: 52 36.346 2.163 0.794 0.587 0.843 0.490 CB 1.430 52 residues pruned to eliminate duplicates Z: 27 26.151 2.142 0.709 0.433 0.962 0.538 CB 1.560 27 residues pruned to eliminate duplicates Z: 9 3.227 1.488 0.708 0.214 0.625 0.250 N 1.005 Z: 22 17.595 1.769 0.781 0.488 0.952 0.524 CB 1.295 22 residues pruned to eliminate duplicates Z: 126 82.634 2.269 0.943 0.635 0.928 0.592 CB 1.593 126 residues pruned to eliminate duplicates Z: 22 39.878 2.142 1.068 0.870 0.952 0.571 CA 1.506 22 residues pruned to eliminate duplicates Z: 13 20.166 2.006 0.740 0.863 0.917 0.917 CA 1.335 13 residues pruned to eliminate duplicates Z: 15 21.618 1.946 0.792 0.905 0.929 0.714 CB 1.270 15 residues pruned to eliminate duplicates Z: 21 21.995 1.965 0.827 0.686 0.800 0.600 CB 1.444 21 residues pruned to eliminate duplicates Z: 11 12.044 1.826 0.301 0.888 0.900 0.800 CA 1.283 11 residues pruned to eliminate duplicates Z: 11 24.755 1.921 1.065 0.858 1.000 0.800 CB 1.453 11 residues pruned to eliminate duplicates Z: 15 29.446 2.057 1.107 0.824 1.000 0.571 CB 1.372 15 residues pruned to eliminate duplicates Z: 10 6.572 1.587 0.584 0.474 0.778 0.556 CB 1.151 10 residues pruned to eliminate duplicates Z: 111 80.737 2.324 0.909 0.656 0.900 0.664 CA 1.668 111 residues pruned to eliminate duplicates Z: 13 20.215 1.916 0.933 0.833 0.917 0.750 CA 1.290 13 residues pruned to eliminate duplicates Z: 22 17.005 1.815 0.301 0.828 0.952 0.762 CB 1.242 22 residues pruned to eliminate duplicates Z: 11 11.010 1.749 0.375 0.789 1.000 0.600 CA 1.123 11 residues pruned to eliminate duplicates Z: 14 19.204 1.885 0.598 0.916 1.000 1.000 CB 1.248 14 residues pruned to eliminate duplicates Z: 9 11.338 1.981 0.303 0.845 0.875 0.875 CB 1.319 9 residues pruned to eliminate duplicates Z: 14 21.096 2.153 0.373 0.874 0.923 0.769 CA 1.561 14 residues pruned to eliminate duplicates Z: 8 3.985 1.598 0.418 0.326 0.714 0.714 CB 1.128 8 residues pruned to eliminate duplicates Z: 19 26.081 2.068 0.611 0.846 0.944 0.889 CB 1.451 19 residues pruned to eliminate duplicates Z: 8 3.888 1.719 0.661 0.485 0.571 0.286 CB 0.915 Z: 8 4.330 1.697 -0.254 0.801 0.857 0.571 CB 1.159 8 residues pruned to eliminate duplicates 7 1.889 1.803 -0.045 0.580 0.833 0.500 CB 0.497 ? Z: 11 12.698 1.744 0.387 0.820 1.000 0.700 CB 1.257 11 residues pruned to eliminate duplicates Z: 62 31.974 1.925 0.559 0.647 0.902 0.623 CB 1.319 51 residues pruned to eliminate duplicates Z: 18 37.688 2.207 1.201 0.895 0.941 0.706 CB 1.433 18 residues pruned to eliminate duplicates Z: 18 31.025 2.271 0.444 0.890 1.000 0.882 CB 1.650 18 residues pruned to eliminate duplicates Z: 129 89.072 2.287 0.962 0.677 0.906 0.664 CA 1.645 129 residues pruned to eliminate duplicates Z: 27 38.715 2.325 0.878 0.562 0.962 0.846 CB 1.702 27 residues pruned to eliminate duplicates Z: 14 7.701 1.893 0.642 0.302 0.615 0.538 CB 1.391 14 residues pruned to eliminate duplicates Z: 9 10.827 1.670 0.633 0.904 0.875 0.750 CB 1.143 9 residues pruned to eliminate duplicates Z: 27 45.307 2.238 1.094 0.674 1.000 0.654 CA 1.616 27 residues pruned to eliminate duplicates Z: 6 4.008 1.760 0.153 0.347 0.800 0.600 CB 1.303 Z: 7 6.778 1.697 0.666 0.649 0.833 0.500 CB 1.022 Z: 8 9.448 1.709 0.734 0.711 0.857 0.286 CB 1.161 8 residues pruned to eliminate duplicates Z: 6 8.769 1.576 0.690 0.669 1.000 0.600 CB 1.259 6 residues pruned to eliminate duplicates Z: 18 29.063 2.239 0.592 0.914 0.941 0.882 CA 1.486 18 residues pruned to eliminate duplicates Z: 49 29.175 1.974 0.641 0.612 0.896 0.604 CB 1.305 49 residues pruned to eliminate duplicates Z: 89 57.413 2.221 0.857 0.616 0.852 0.500 CB 1.561 89 residues pruned to eliminate duplicates Z: 13 33.784 2.233 0.960 0.910 0.917 0.667 CA 1.724 13 residues pruned to eliminate duplicates Z: 8 5.919 1.798 0.025 0.838 0.857 0.714 CB 1.059 8 residues pruned to eliminate duplicates Z: 6 4.420 1.561 1.037 0.406 0.600 0.200 CA 1.144 6 residues pruned to eliminate duplicates Z: 7 2.282 1.492 -0.243 0.448 1.000 0.500 CB 0.870 Z: 13 15.427 1.796 0.433 0.791 0.917 0.917 CA 1.462 13 residues pruned to eliminate duplicates 6 1.829 1.491 0.600 0.298 0.600 0.600 C 0.716 ? Z: 12 15.793 1.851 0.364 0.805 1.000 0.909 CA 1.445 12 residues pruned to eliminate duplicates Z: 6 4.536 1.654 0.738 0.492 1.000 0.600 CA 0.712 6 residues pruned to eliminate duplicates Z: 24 30.034 2.061 1.003 0.583 0.957 0.652 CA 1.464 24 residues pruned to eliminate duplicates Z: 32 29.994 2.195 0.741 0.482 0.903 0.710 CA 1.590 32 residues pruned to eliminate duplicates Z: 13 13.046 1.923 0.817 0.796 0.750 0.417 CB 1.109 13 residues pruned to eliminate duplicates 6 1.371 1.189 0.277 0.413 0.800 0.400 C 0.553 ? Z: 11 20.318 2.005 0.895 0.912 0.900 0.600 CA 1.330 11 residues pruned to eliminate duplicates Z: 12 21.168 2.115 0.811 0.839 0.909 0.545 CB 1.368 12 residues pruned to eliminate duplicates Z: 9 8.428 1.627 0.385 0.782 0.875 0.500 CB 1.180 9 residues pruned to eliminate duplicates Z: 14 8.894 1.719 0.670 0.421 0.923 0.462 CB 1.010 14 residues pruned to eliminate duplicates Z: 16 14.028 1.776 0.784 0.715 0.800 0.533 CA 1.176 16 residues pruned to eliminate duplicates Z: 150 85.510 2.217 0.980 0.614 0.886 0.503 CA 1.617 150 residues pruned to eliminate duplicates Z: 8 4.582 1.561 0.038 0.517 0.857 0.714 C 1.226 Z: 79 81.687 2.396 1.085 0.664 0.910 0.513 CA 1.747 79 residues pruned to eliminate duplicates Z: 12 20.854 1.935 0.717 0.920 1.000 0.636 CA 1.333 12 residues pruned to eliminate duplicates Z: 103 78.909 2.289 0.924 0.654 0.931 0.608 CA 1.651 103 residues pruned to eliminate duplicates Z: 6 7.055 1.682 0.315 0.641 1.000 0.400 CB 1.251 Z: 9 4.682 1.414 0.891 0.429 0.750 0.375 CB 0.888 6 1.651 1.439 0.632 0.478 0.600 0.400 CB 0.535 ? Z: 78 47.182 2.149 0.937 0.530 0.844 0.584 CB 1.486 84 residues pruned to eliminate duplicates Z: 7 6.407 1.803 0.630 0.815 0.833 0.500 CB 0.812 7 residues pruned to eliminate duplicates Z: 70 58.796 2.266 0.837 0.732 0.899 0.754 CA 1.536 70 residues pruned to eliminate duplicates Z: 17 25.662 2.017 0.750 0.839 0.938 0.438 CB 1.448 Z: 12 40.177 2.330 1.225 0.915 1.000 0.545 CB 1.651 12 residues pruned to eliminate duplicates Z: 20 26.969 2.299 0.767 0.612 0.842 0.632 CB 1.627 20 residues pruned to eliminate duplicates Z: 6 8.090 1.607 0.636 0.802 1.000 0.800 CA 1.057 6 residues pruned to eliminate duplicates Z: 21 19.503 2.215 0.553 0.539 0.800 0.650 CA 1.526 21 residues pruned to eliminate duplicates Z: 9 16.472 1.875 0.694 0.860 1.000 0.750 CB 1.349 9 residues pruned to eliminate duplicates Z: 22 41.990 2.234 1.279 0.889 0.857 0.571 CA 1.512 22 residues pruned to eliminate duplicates Z: 7 2.867 1.416 0.166 0.459 0.833 0.833 O 0.887 7 residues pruned to eliminate duplicates Z: 11 16.410 1.781 0.777 0.839 0.900 0.600 CA 1.361 11 residues pruned to eliminate duplicates Z: 13 14.864 1.835 1.010 0.792 0.917 0.583 CB 0.982 13 residues pruned to eliminate duplicates Z: 11 18.210 2.210 0.521 0.759 1.000 0.700 CA 1.360 11 residues pruned to eliminate duplicates Z: 61 54.673 2.254 0.871 0.653 0.883 0.633 CA 1.642 78 residues pruned to eliminate duplicates Z: 10 11.547 1.727 0.339 0.847 1.000 0.778 CA 1.235 10 residues pruned to eliminate duplicates Z: 6 3.245 1.651 -0.052 0.516 0.800 0.400 CB 1.140 Z: 28 17.478 1.884 0.599 0.511 0.815 0.630 CB 1.355 28 residues pruned to eliminate duplicates Z: 10 12.696 1.696 0.509 0.864 1.000 0.778 CB 1.213 11 residues pruned to eliminate duplicates Z: 9 3.619 1.620 0.935 0.212 0.500 0.375 CB 1.147 9 residues pruned to eliminate duplicates Z: 19 24.307 2.018 0.585 0.904 1.000 0.944 CA 1.275 19 residues pruned to eliminate duplicates Z: 8 8.111 1.662 0.717 0.623 1.000 0.857 CA 0.957 8 residues pruned to eliminate duplicates Z: 17 10.841 1.912 0.478 0.338 0.938 0.688 CB 1.221 17 residues pruned to eliminate duplicates Z: 14 21.748 1.971 0.637 0.856 0.923 0.692 CA 1.494 14 residues pruned to eliminate duplicates Z: 26 23.411 1.873 0.706 0.678 0.960 0.560 CB 1.295 26 residues pruned to eliminate duplicates Z: 12 16.124 1.827 0.534 0.812 1.000 0.636 CB 1.322 12 residues pruned to eliminate duplicates Z: 6 2.745 1.726 0.295 0.518 0.600 0.400 CB 0.899 Z: 17 17.466 1.937 0.819 0.514 0.812 0.500 CA 1.504 17 residues pruned to eliminate duplicates Z: 18 34.804 2.117 0.902 0.885 0.941 0.765 CB 1.608 18 residues pruned to eliminate duplicates Z: 9 6.307 1.485 0.328 0.668 0.875 0.625 O 1.106 9 residues pruned to eliminate duplicates Z: 11 8.568 1.697 0.267 0.669 0.900 0.700 CB 1.198 11 residues pruned to eliminate duplicates Z: 12 25.353 1.903 1.073 0.911 1.000 0.545 CA 1.373 12 residues pruned to eliminate duplicates Z: 6 4.645 1.515 0.362 0.747 0.800 0.800 CA 1.009 6 residues pruned to eliminate duplicates Z: 10 14.721 1.807 0.417 0.888 1.000 0.778 CB 1.380 10 residues pruned to eliminate duplicates Z: 18 24.892 2.113 0.306 0.861 1.000 0.824 CB 1.607 18 residues pruned to eliminate duplicates 6 1.694 1.282 0.000 0.271 0.800 0.800 CB 0.958 ? Z: 8 13.001 1.908 0.487 0.884 1.000 0.714 CB 1.251 8 residues pruned to eliminate duplicates Z: 15 14.851 1.878 0.522 0.761 0.857 0.714 CB 1.286 15 residues pruned to eliminate duplicates Z: 13 41.347 2.265 1.265 0.916 1.000 0.500 CB 1.643 13 residues pruned to eliminate duplicates Z: 8 5.070 1.678 0.220 0.472 0.857 0.429 CB 1.124 8 residues pruned to eliminate duplicates Z: 8 5.545 1.583 0.802 0.366 0.857 0.286 N 0.990 6 1.608 1.168 0.221 0.282 1.000 0.400 CB 0.645 ? Z: 8 5.486 1.889 0.147 0.312 0.857 0.571 CB 1.375 7 residues pruned to eliminate duplicates Z: 14 21.557 2.196 0.631 0.830 0.923 0.846 CA 1.360 14 residues pruned to eliminate duplicates Z: 12 10.162 2.030 0.690 0.402 0.818 0.455 CB 1.210 12 residues pruned to eliminate duplicates Z: 28 19.525 1.880 0.373 0.679 0.926 0.556 CA 1.333 28 residues pruned to eliminate duplicates Z: 18 27.989 1.981 0.871 0.876 1.000 0.588 CA 1.331 Z: 10 12.152 1.675 0.680 0.763 0.889 0.556 CB 1.283 10 residues pruned to eliminate duplicates Z: 11 8.182 1.710 0.470 0.536 0.900 0.600 CB 1.104 6 residues pruned to eliminate duplicates Z: 20 22.588 2.248 0.659 0.564 0.789 0.684 CB 1.654 20 residues pruned to eliminate duplicates Z: 6 4.785 1.345 0.575 0.753 1.000 0.600 CA 0.806 Z: 42 27.454 1.970 0.573 0.527 0.976 0.683 CB 1.380 42 residues pruned to eliminate duplicates Z: 13 19.255 2.025 0.767 0.872 1.000 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 51 36.220 2.040 0.887 0.543 0.940 0.720 CB 1.357 51 residues pruned to eliminate duplicates 6 1.230 1.132 0.444 0.318 0.800 0.600 C 0.514 ? Z: 24 9.093 1.688 0.475 0.306 0.870 0.522 CB 1.087 24 residues pruned to eliminate duplicates Z: 12 18.720 1.855 0.743 0.913 1.000 0.818 CB 1.235 12 residues pruned to eliminate duplicates Z: 132 96.727 2.297 1.095 0.663 0.901 0.550 CB 1.676 132 residues pruned to eliminate duplicates 6 0.732 1.063 -0.253 0.291 0.800 0.600 CB 0.652 ? Z: 10 5.173 1.631 0.624 0.310 0.667 0.556 C 1.206 Z: 10 27.668 2.311 1.024 0.891 0.889 0.778 CA 1.595 10 residues pruned to eliminate duplicates Z: 10 12.467 1.637 0.688 0.858 1.000 0.667 CB 1.107 Z: 7 5.999 1.913 -0.127 0.746 1.000 0.667 CB 1.177 7 residues pruned to eliminate duplicates Z: 10 20.679 1.994 0.670 0.906 1.000 0.667 CA 1.471 10 residues pruned to eliminate duplicates Z: 11 10.736 1.761 0.220 0.839 1.000 0.500 CA 1.181 10 residues pruned to eliminate duplicates Z: 24 14.960 1.862 0.437 0.445 0.913 0.478 CB 1.352 24 residues pruned to eliminate duplicates Z: 6 2.914 1.652 0.411 0.584 0.600 0.600 CB 0.859 6 residues pruned to eliminate duplicates Z: 108 79.237 2.343 0.897 0.641 0.925 0.654 CA 1.633 114 residues pruned to eliminate duplicates Z: 7 12.121 1.842 0.544 0.839 1.000 0.333 CB 1.300 12 residues pruned to eliminate duplicates Z: 11 29.351 2.391 1.340 0.737 0.900 0.600 CB 1.490 11 residues pruned to eliminate duplicates Z: 6 3.749 1.499 0.341 0.614 1.000 0.600 CB 0.748 Z: 8 6.312 1.576 0.530 0.301 1.000 0.429 CB 1.236 11 residues pruned to eliminate duplicates Z: 22 19.897 1.852 0.543 0.678 1.000 0.762 CA 1.290 22 residues pruned to eliminate duplicates Z: 13 24.090 1.986 0.924 0.889 0.917 0.750 CA 1.430 13 residues pruned to eliminate duplicates Z: 12 19.327 2.129 0.576 0.864 0.909 0.909 CA 1.401 12 residues pruned to eliminate duplicates Z: 16 21.487 1.866 0.612 0.914 1.000 0.733 CA 1.304 16 residues pruned to eliminate duplicates Z: 10 14.485 1.789 0.474 0.849 1.000 0.778 CA 1.357 21 residues pruned to eliminate duplicates Z: 9 6.027 1.722 0.093 0.792 1.000 0.500 CB 0.877 9 residues pruned to eliminate duplicates Z: 12 23.697 2.138 0.609 0.900 1.000 0.818 CA 1.484 12 residues pruned to eliminate duplicates Z: 20 25.115 2.299 1.030 0.525 0.842 0.684 CB 1.430 24 residues pruned to eliminate duplicates Z: 11 12.959 1.652 0.649 0.895 0.900 0.800 CA 1.198 11 residues pruned to eliminate duplicates Z: 13 20.941 1.804 0.763 0.884 1.000 0.750 CA 1.373 13 residues pruned to eliminate duplicates Z: 12 20.569 1.930 0.900 0.909 0.909 0.455 CB 1.320 12 residues pruned to eliminate duplicates Z: 10 11.104 1.662 0.481 0.815 0.889 0.778 CB 1.287 10 residues pruned to eliminate duplicates Z: 12 21.736 2.193 0.427 0.912 1.000 0.818 CA 1.484 12 residues pruned to eliminate duplicates Z: 10 21.012 1.957 0.730 0.888 1.000 0.889 CB 1.490 10 residues pruned to eliminate duplicates Z: 11 22.128 1.967 1.064 0.774 0.900 0.700 CB 1.502 11 residues pruned to eliminate duplicates Z: 49 29.035 1.979 0.744 0.499 0.854 0.417 CB 1.422 49 residues pruned to eliminate duplicates Z: 15 23.612 1.985 0.636 0.899 1.000 0.714 CA 1.389 15 residues pruned to eliminate duplicates Z: 42 30.990 2.122 0.834 0.513 0.878 0.415 CB 1.398 42 residues pruned to eliminate duplicates Z: 10 15.090 1.923 0.936 0.713 0.778 0.556 CA 1.431 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 11.057 1.990 0.408 0.365 0.846 0.615 CB 1.495 13 residues pruned to eliminate duplicates Z: 7 5.635 1.623 0.322 0.446 1.000 0.667 CB 1.133 6 residues pruned to eliminate duplicates Z: 7 5.201 1.680 0.465 0.515 0.833 0.500 CB 1.019 7 residues pruned to eliminate duplicates Z: 9 10.585 1.839 0.731 0.523 0.875 0.750 CB 1.313 9 residues pruned to eliminate duplicates 6 1.059 1.620 0.249 0.449 0.800 0.600 CB 0.308 ? Z: 9 2.634 1.716 0.234 0.211 0.625 0.375 CB 0.990 Z: 6 3.162 1.724 0.419 0.515 0.800 0.400 CA 0.712 4 residues pruned to eliminate duplicates Z: 7 6.025 1.486 1.307 0.399 1.000 0.500 CA 0.798 7 residues pruned to eliminate duplicates Z: 25 22.542 2.182 0.981 0.523 0.875 0.583 CB 1.189 25 residues pruned to eliminate duplicates Z: 88 65.591 2.209 1.008 0.620 0.920 0.506 CB 1.538 88 residues pruned to eliminate duplicates Z: 26 23.178 2.153 0.935 0.511 0.960 0.440 CB 1.146 26 residues pruned to eliminate duplicates Z: 41 36.576 2.216 0.885 0.516 0.925 0.550 CB 1.474 41 residues pruned to eliminate duplicates Z: 54 35.115 2.206 0.814 0.548 0.792 0.472 CB 1.452 54 residues pruned to eliminate duplicates Z: 54 36.706 2.182 0.803 0.575 0.925 0.528 CB 1.290 54 residues pruned to eliminate duplicates Z: 137 78.282 2.241 0.849 0.622 0.904 0.559 CB 1.596 106 residues pruned to eliminate duplicates Z: 12 25.016 2.215 0.788 0.842 0.909 0.727 CA 1.561 7 residues pruned to eliminate duplicates Z: 13 34.130 2.114 1.033 0.901 1.000 0.667 CB 1.637 13 residues pruned to eliminate duplicates Z: 14 27.124 2.015 0.759 0.885 1.000 0.846 CA 1.532 14 residues pruned to eliminate duplicates Z: 94 68.368 2.270 0.995 0.628 0.903 0.538 CB 1.537 94 residues pruned to eliminate duplicates Z: 114 85.987 2.332 1.062 0.685 0.929 0.593 CB 1.527 114 residues pruned to eliminate duplicates Z: 113 80.845 2.302 1.009 0.666 0.929 0.562 CB 1.526 113 residues pruned to eliminate duplicates Z: 37 30.590 2.184 0.988 0.488 0.833 0.528 CB 1.425 33 residues pruned to eliminate duplicates Z: 16 20.389 2.043 0.780 0.679 0.867 0.533 CA 1.416 16 residues pruned to eliminate duplicates Z: 21 18.132 2.102 1.008 0.375 0.800 0.400 CB 1.373 21 residues pruned to eliminate duplicates Z: 54 36.480 2.167 0.867 0.577 0.868 0.415 CB 1.326 54 residues pruned to eliminate duplicates Z: 53 33.238 2.153 0.772 0.506 0.865 0.538 CB 1.388 35 residues pruned to eliminate duplicates Z: 9 10.808 1.787 0.832 0.537 0.750 0.500 N 1.501 9 residues pruned to eliminate duplicates Z: 35 30.685 2.137 0.885 0.512 0.824 0.471 CA 1.568 35 residues pruned to eliminate duplicates Z: 50 24.291 1.972 0.605 0.435 0.857 0.551 CB 1.368 50 residues pruned to eliminate duplicates Z: 62 34.167 2.099 0.856 0.520 0.852 0.410 CB 1.292 62 residues pruned to eliminate duplicates Z: 35 30.396 2.242 0.913 0.507 0.824 0.588 CB 1.465 35 residues pruned to eliminate duplicates Z: 131 78.850 2.279 0.911 0.652 0.908 0.531 CB 1.519 131 residues pruned to eliminate duplicates Z: 20 19.432 2.139 0.716 0.417 0.842 0.632 CA 1.572 20 residues pruned to eliminate duplicates Z: 94 72.633 2.293 0.943 0.645 0.914 0.559 CB 1.615 94 residues pruned to eliminate duplicates Z: 21 19.093 2.115 0.719 0.432 0.750 0.350 CB 1.679 21 residues pruned to eliminate duplicates Z: 39 29.450 2.185 0.871 0.455 0.842 0.421 CB 1.453 39 residues pruned to eliminate duplicates Z: 53 31.213 2.173 0.800 0.546 0.808 0.442 CB 1.309 53 residues pruned to eliminate duplicates Z: 7 5.740 1.537 0.768 0.475 0.833 0.500 N 1.062 7 residues pruned to eliminate duplicates Z: 55 35.956 2.181 0.821 0.515 0.852 0.574 CB 1.426 55 residues pruned to eliminate duplicates Z: 32 31.172 2.228 0.860 0.501 0.839 0.484 CB 1.610 32 residues pruned to eliminate duplicates Z: 26 15.700 2.043 0.546 0.363 0.800 0.360 CB 1.440 26 residues pruned to eliminate duplicates Z: 137 83.532 2.276 0.925 0.634 0.912 0.654 CB 1.581 137 residues pruned to eliminate duplicates Z: 30 13.899 2.074 0.414 0.328 0.759 0.310 CB 1.401 30 residues pruned to eliminate duplicates Z: 135 76.438 2.253 0.857 0.631 0.903 0.575 CB 1.545 135 residues pruned to eliminate duplicates Z: 106 71.311 2.231 0.936 0.658 0.895 0.571 CB 1.554 106 residues pruned to eliminate duplicates Z: 136 76.403 2.257 0.843 0.616 0.926 0.615 CB 1.530 136 residues pruned to eliminate duplicates Z: 95 68.650 2.288 0.820 0.677 0.904 0.617 CB 1.598 95 residues pruned to eliminate duplicates Z: 77 61.408 2.312 0.846 0.652 0.895 0.697 CA 1.600 77 residues pruned to eliminate duplicates Z: 112 76.795 2.318 0.836 0.684 0.892 0.613 CB 1.621 112 residues pruned to eliminate duplicates Z: 38 40.221 2.292 0.901 0.598 0.892 0.514 CB 1.550 38 residues pruned to eliminate duplicates Z: 93 71.840 2.293 0.810 0.698 0.913 0.685 CA 1.649 93 residues pruned to eliminate duplicates Z: 42 44.470 2.267 0.931 0.627 0.902 0.561 CA 1.560 42 residues pruned to eliminate duplicates Z: 110 82.060 2.304 0.826 0.703 0.963 0.679 CB 1.612 110 residues pruned to eliminate duplicates Z: 129 83.206 2.285 0.847 0.660 0.945 0.641 CB 1.589 129 residues pruned to eliminate duplicates Z: 35 44.277 2.326 1.106 0.622 0.912 0.500 CB 1.515 35 residues pruned to eliminate duplicates Z: 121 83.492 2.302 0.849 0.669 0.933 0.708 CB 1.641 121 residues pruned to eliminate duplicates Z: 50 64.503 2.308 0.933 0.750 0.980 0.735 CA 1.686 50 residues pruned to eliminate duplicates Z: 43 40.078 2.207 0.886 0.655 0.857 0.595 CB 1.501 43 residues pruned to eliminate duplicates Z: 93 75.612 2.307 0.903 0.698 0.935 0.641 CB 1.604 93 residues pruned to eliminate duplicates Z: 133 83.049 2.255 0.886 0.662 0.909 0.614 CB 1.608 133 residues pruned to eliminate duplicates Z: 51 61.137 2.316 0.956 0.716 0.940 0.620 CB 1.669 51 residues pruned to eliminate duplicates Z: 103 72.934 2.277 0.843 0.671 0.912 0.676 CA 1.612 103 residues pruned to eliminate duplicates Z: 34 52.123 2.318 1.077 0.668 0.970 0.485 CB 1.664 34 residues pruned to eliminate duplicates Z: 132 78.104 2.272 0.827 0.639 0.908 0.595 CB 1.589 132 residues pruned to eliminate duplicates Z: 41 40.868 2.212 1.089 0.556 0.900 0.575 CB 1.472 41 residues pruned to eliminate duplicates Z: 129 85.004 2.281 0.908 0.663 0.922 0.594 CB 1.610 55 residues pruned to eliminate duplicates Z: 18 50.539 2.398 1.424 0.852 0.941 0.706 CB 1.658 21 residues pruned to eliminate duplicates Z: 20 44.774 2.366 1.269 0.760 0.895 0.632 CB 1.698 19 residues pruned to eliminate duplicates Z: 22 47.425 2.267 1.333 0.703 1.000 0.333 CB 1.627 22 residues pruned to eliminate duplicates Z: 134 85.974 2.285 0.931 0.651 0.917 0.632 CB 1.600 134 residues pruned to eliminate duplicates Z: 133 81.439 2.266 0.948 0.639 0.894 0.621 CB 1.576 133 residues pruned to eliminate duplicates Z: 116 83.756 2.302 0.980 0.676 0.904 0.591 CB 1.612 116 residues pruned to eliminate duplicates Z: 81 75.815 2.309 1.057 0.693 0.913 0.575 CB 1.641 81 residues pruned to eliminate duplicates Z: 76 79.489 2.335 1.030 0.715 0.947 0.627 CB 1.683 73 residues pruned to eliminate duplicates Z: 13 18.844 1.960 0.763 0.834 0.833 0.500 CB 1.417 13 residues pruned to eliminate duplicates Z: 75 75.421 2.336 0.989 0.708 0.932 0.662 CB 1.675 74 residues pruned to eliminate duplicates Z: 13 17.407 1.865 0.604 0.925 0.917 0.583 CA 1.286 13 residues pruned to eliminate duplicates Z: 36 50.656 2.307 1.199 0.621 0.971 0.514 CB 1.550 34 residues pruned to eliminate duplicates Z: 13 18.591 1.965 0.708 0.825 0.917 0.583 CA 1.316 13 residues pruned to eliminate duplicates Z: 91 83.167 2.312 1.046 0.714 0.933 0.689 CB 1.635 93 residues pruned to eliminate duplicates Z: 12 23.631 2.003 0.723 0.919 1.000 0.636 CA 1.455 12 residues pruned to eliminate duplicates Z: 138 78.917 2.248 0.962 0.614 0.883 0.577 CB 1.553 138 residues pruned to eliminate duplicates Z: 130 85.918 2.280 0.954 0.653 0.930 0.574 CB 1.583 130 residues pruned to eliminate duplicates Z: 63 63.192 2.335 0.813 0.696 0.952 0.726 CB 1.667 63 residues pruned to eliminate duplicates Z: 78 62.957 2.317 0.830 0.679 0.883 0.623 CB 1.625 78 residues pruned to eliminate duplicates Z: 81 73.332 2.319 0.987 0.689 0.925 0.650 CB 1.618 81 residues pruned to eliminate duplicates Z: 79 76.402 2.342 0.935 0.696 0.962 0.731 CA 1.661 79 residues pruned to eliminate duplicates Z: 131 81.342 2.277 0.902 0.634 0.915 0.615 CB 1.587 131 residues pruned to eliminate duplicates Z: 138 72.535 2.255 0.829 0.617 0.876 0.642 CB 1.535 152 residues pruned to eliminate duplicates Z: 15 33.470 2.177 0.884 0.892 1.000 0.857 CA 1.567 15 residues pruned to eliminate duplicates Z: 85 64.174 2.252 0.877 0.649 0.905 0.679 CB 1.594 85 residues pruned to eliminate duplicates Z: 81 66.662 2.317 0.834 0.668 0.925 0.663 CB 1.623 81 residues pruned to eliminate duplicates Z: 63 68.312 2.339 0.886 0.696 0.984 0.677 CA 1.671 63 residues pruned to eliminate duplicates Z: 81 61.699 2.303 0.811 0.669 0.913 0.650 CB 1.551 81 residues pruned to eliminate duplicates Z: 125 79.519 2.265 0.989 0.619 0.903 0.508 CB 1.569 125 residues pruned to eliminate duplicates Z: 79 60.648 2.233 0.778 0.675 0.910 0.641 CB 1.618 79 residues pruned to eliminate duplicates Z: 92 69.888 2.298 0.847 0.636 0.945 0.681 CB 1.607 92 residues pruned to eliminate duplicates Z: 52 69.520 2.352 1.126 0.732 0.941 0.647 CA 1.679 52 residues pruned to eliminate duplicates Z: 127 82.440 2.302 0.925 0.661 0.905 0.627 CB 1.578 127 residues pruned to eliminate duplicates Z: 98 76.928 2.300 0.952 0.665 0.928 0.567 CB 1.610 98 residues pruned to eliminate duplicates Z: 128 84.928 2.286 0.970 0.662 0.898 0.638 CB 1.605 128 residues pruned to eliminate duplicates Z: 132 81.375 2.280 0.982 0.632 0.901 0.519 CB 1.543 132 residues pruned to eliminate duplicates Z: 137 70.961 2.264 0.843 0.626 0.853 0.596 CB 1.518 124 residues pruned to eliminate duplicates Z: 23 29.982 2.115 0.807 0.814 0.909 0.545 CA 1.400 23 residues pruned to eliminate duplicates Z: 42 49.241 2.369 0.818 0.692 0.951 0.659 CA 1.575 42 residues pruned to eliminate duplicates Z: 131 80.508 2.260 0.945 0.608 0.908 0.562 CB 1.596 131 residues pruned to eliminate duplicates Z: 86 55.348 2.228 0.862 0.583 0.871 0.624 CB 1.535 86 residues pruned to eliminate duplicates Z: 136 81.971 2.253 0.984 0.628 0.904 0.593 CB 1.549 136 residues pruned to eliminate duplicates Z: 128 86.832 2.286 0.948 0.648 0.929 0.622 CB 1.621 128 residues pruned to eliminate duplicates Z: 56 65.024 2.331 0.908 0.721 0.945 0.564 CA 1.708 56 residues pruned to eliminate duplicates Z: 129 81.620 2.266 0.967 0.651 0.898 0.570 CB 1.565 129 residues pruned to eliminate duplicates Z: 77 56.180 2.271 0.827 0.609 0.908 0.526 CA 1.542 77 residues pruned to eliminate duplicates Z: 43 55.913 2.365 0.859 0.699 0.976 0.643 CA 1.677 43 residues pruned to eliminate duplicates Z: 131 82.880 2.279 0.991 0.650 0.885 0.515 CB 1.575 131 residues pruned to eliminate duplicates Z: 68 57.269 2.249 0.791 0.666 0.925 0.597 CB 1.611 68 residues pruned to eliminate duplicates Z: 92 81.169 2.290 1.100 0.695 0.923 0.571 CB 1.603 92 residues pruned to eliminate duplicates Z: 95 68.597 2.266 0.917 0.640 0.894 0.543 CB 1.598 95 residues pruned to eliminate duplicates Z: 112 78.500 2.308 0.921 0.686 0.892 0.568 CB 1.589 56 residues pruned to eliminate duplicates Z: 9 9.194 1.988 0.551 0.497 0.875 0.250 CA 1.209 9 residues pruned to eliminate duplicates Z: 94 68.377 2.265 0.896 0.626 0.925 0.656 CB 1.586 94 residues pruned to eliminate duplicates Z: 57 70.667 2.349 0.954 0.744 0.964 0.661 CA 1.715 57 residues pruned to eliminate duplicates Z: 94 68.436 2.271 0.972 0.641 0.871 0.538 CB 1.594 76 residues pruned to eliminate duplicates Z: 15 21.686 2.079 0.730 0.806 1.000 0.643 CB 1.235 15 residues pruned to eliminate duplicates Z: 88 86.418 2.348 0.960 0.736 0.977 0.644 CB 1.667 88 residues pruned to eliminate duplicates Z: 80 64.547 2.264 0.955 0.657 0.911 0.532 CB 1.557 80 residues pruned to eliminate duplicates Z: 90 62.528 2.245 0.938 0.647 0.888 0.506 CB 1.496 89 residues pruned to eliminate duplicates Z: 16 25.673 2.068 0.705 0.794 1.000 0.533 CB 1.452 16 residues pruned to eliminate duplicates Z: 54 38.433 2.192 0.792 0.559 0.849 0.415 CB 1.494 54 residues pruned to eliminate duplicates Z: 57 36.298 2.146 0.858 0.547 0.821 0.429 CB 1.415 57 residues pruned to eliminate duplicates Z: 36 29.301 2.215 0.725 0.659 0.857 0.486 CB 1.304 36 residues pruned to eliminate duplicates Z: 94 68.518 2.284 0.914 0.641 0.882 0.559 CB 1.615 94 residues pruned to eliminate duplicates Z: 41 50.134 2.329 0.885 0.703 0.950 0.450 CB 1.580 41 residues pruned to eliminate duplicates Z: 55 34.789 2.138 0.825 0.534 0.833 0.370 CB 1.409 55 residues pruned to eliminate duplicates Z: 56 37.868 2.183 0.790 0.586 0.836 0.418 CB 1.439 56 residues pruned to eliminate duplicates Z: 52 41.677 2.226 0.901 0.587 0.882 0.510 CB 1.438 52 residues pruned to eliminate duplicates Z: 138 86.727 2.252 0.961 0.631 0.934 0.620 CB 1.588 138 residues pruned to eliminate duplicates Z: 98 66.409 2.209 0.913 0.600 0.918 0.577 CB 1.581 98 residues pruned to eliminate duplicates Z: 64 36.559 2.159 0.848 0.496 0.841 0.460 CB 1.378 64 residues pruned to eliminate duplicates Z: 54 37.088 2.192 0.923 0.548 0.868 0.491 CB 1.328 54 residues pruned to eliminate duplicates Z: 17 7.291 1.871 0.175 0.510 0.688 0.562 CB 1.193 Z: 12 12.816 1.783 0.242 0.830 1.000 0.545 CA 1.312 17 residues pruned to eliminate duplicates Z: 10 12.880 1.839 0.444 0.801 1.000 0.778 CA 1.243 10 residues pruned to eliminate duplicates Z: 11 10.277 1.754 0.144 0.838 1.000 0.900 CA 1.211 11 residues pruned to eliminate duplicates Z: 13 13.483 1.836 0.300 0.759 0.917 0.750 CB 1.413 13 residues pruned to eliminate duplicates Z: 12 12.087 1.813 0.105 0.803 1.000 0.545 CA 1.395 12 residues pruned to eliminate duplicates Z: 19 10.855 1.831 0.461 0.504 0.778 0.500 CB 1.224 15 residues pruned to eliminate duplicates Z: 11 15.831 1.847 0.418 0.828 1.000 0.700 CA 1.440 11 residues pruned to eliminate duplicates Z: 21 12.871 1.829 0.403 0.516 0.950 0.500 CB 1.162 16 residues pruned to eliminate duplicates Z: 11 13.369 1.836 0.398 0.814 1.000 0.900 CA 1.254 11 residues pruned to eliminate duplicates Z: 79 34.336 2.051 0.762 0.512 0.808 0.487 CB 1.316 100 residues pruned to eliminate duplicates Z: 16 11.202 1.884 0.295 0.576 0.867 0.600 CB 1.271 Z: 17 11.765 1.745 0.577 0.607 0.875 0.625 CA 1.103 18 residues pruned to eliminate duplicates Z: 7 6.743 1.677 0.690 0.515 1.000 0.500 CA 0.957 Z: 6 6.106 1.503 0.676 0.624 1.000 0.400 CA 0.964 5 residues pruned to eliminate duplicates Z: 7 6.132 1.523 0.857 0.546 1.000 0.667 CA 0.846 8 residues pruned to eliminate duplicates Z: 8 9.078 1.832 0.786 0.558 0.857 0.571 CA 1.157 6 residues pruned to eliminate duplicates Z: 27 19.621 1.904 0.756 0.492 0.846 0.423 CB 1.371 13 residues pruned to eliminate duplicates Z: 14 19.949 1.894 0.608 0.720 1.000 0.692 CA 1.489 14 residues pruned to eliminate duplicates Z: 13 14.256 1.878 0.464 0.744 0.917 0.750 CB 1.313 13 residues pruned to eliminate duplicates Z: 51 30.282 2.027 0.590 0.506 0.940 0.600 CB 1.405 23 residues pruned to eliminate duplicates Z: 12 20.262 1.957 0.781 0.804 0.909 0.818 CA 1.479 12 residues pruned to eliminate duplicates Z: 31 24.336 1.996 0.707 0.508 0.900 0.500 CB 1.438 31 residues pruned to eliminate duplicates Z: 48 30.156 2.010 0.660 0.466 0.957 0.511 CB 1.426 48 residues pruned to eliminate duplicates Z: 15 11.924 1.591 0.635 0.562 0.929 0.500 CA 1.242 15 residues pruned to eliminate duplicates Z: 53 25.754 1.945 0.662 0.470 0.865 0.615 CB 1.317 53 residues pruned to eliminate duplicates Z: 49 24.188 1.923 0.557 0.512 0.854 0.562 CB 1.348 51 residues pruned to eliminate duplicates Z: 7 5.832 1.575 0.666 0.424 1.000 0.333 CA 0.982 7 residues pruned to eliminate duplicates Z: 53 23.128 1.922 0.642 0.477 0.865 0.500 CB 1.201 53 residues pruned to eliminate duplicates Z: 11 12.385 1.910 0.585 0.529 1.000 0.900 CA 1.257 11 residues pruned to eliminate duplicates Z: 29 21.152 1.985 0.532 0.478 0.929 0.607 CB 1.447 29 residues pruned to eliminate duplicates Z: 6 2.055 1.476 0.549 0.290 0.800 0.600 N 0.636 6 residues pruned to eliminate duplicates Z: 30 20.160 1.952 0.521 0.456 0.897 0.655 CB 1.471 30 residues pruned to eliminate duplicates Z: 67 29.381 1.968 0.539 0.512 0.894 0.591 CB 1.320 67 residues pruned to eliminate duplicates Z: 57 28.943 1.958 0.679 0.445 0.929 0.589 CB 1.340 57 residues pruned to eliminate duplicates Z: 65 35.604 1.976 0.639 0.539 0.969 0.625 CB 1.365 65 residues pruned to eliminate duplicates Z: 10 13.604 1.941 0.502 0.817 0.889 0.778 CA 1.329 10 residues pruned to eliminate duplicates Z: 26 20.292 2.001 0.554 0.450 0.960 0.680 CB 1.432 26 residues pruned to eliminate duplicates Z: 46 21.616 2.017 0.560 0.449 0.778 0.622 CB 1.387 46 residues pruned to eliminate duplicates Z: 26 16.536 1.997 0.356 0.435 0.920 0.720 CB 1.421 26 residues pruned to eliminate duplicates Z: 70 31.121 1.974 0.613 0.491 0.899 0.609 CB 1.321 64 residues pruned to eliminate duplicates Z: 11 19.318 1.879 0.754 0.721 1.000 0.500 CA 1.518 11 residues pruned to eliminate duplicates Z: 12 3.417 1.707 0.515 0.263 0.545 0.273 N 0.957 24 residues pruned to eliminate duplicates Z: 6 4.963 1.913 0.931 0.310 0.600 0.200 CA 1.236 6 residues pruned to eliminate duplicates Z: 133 79.367 2.272 0.874 0.635 0.879 0.598 CA 1.626 133 residues pruned to eliminate duplicates Z: 118 70.022 2.278 0.632 0.661 0.923 0.624 CA 1.625 118 residues pruned to eliminate duplicates Z: 28 31.955 2.291 0.893 0.610 0.815 0.519 CB 1.568 28 residues pruned to eliminate duplicates Z: 26 32.385 2.201 0.851 0.638 0.920 0.600 CA 1.518 26 residues pruned to eliminate duplicates Z: 33 29.310 2.234 0.799 0.566 0.844 0.531 CB 1.433 33 residues pruned to eliminate duplicates Z: 122 76.953 2.265 0.785 0.654 0.926 0.661 CB 1.620 122 residues pruned to eliminate duplicates Z: 29 27.748 2.120 0.567 0.645 0.929 0.607 CB 1.484 29 residues pruned to eliminate duplicates Z: 135 79.892 2.284 0.816 0.628 0.910 0.634 CA 1.621 135 residues pruned to eliminate duplicates Z: 52 43.710 2.225 0.707 0.683 0.882 0.804 CA 1.544 52 residues pruned to eliminate duplicates Z: 31 31.992 2.142 0.798 0.625 0.900 0.633 CB 1.497 31 residues pruned to eliminate duplicates Z: 131 83.621 2.286 0.823 0.653 0.931 0.638 CA 1.641 131 residues pruned to eliminate duplicates Z: 33 31.836 2.189 0.801 0.600 0.844 0.656 CB 1.538 33 residues pruned to eliminate duplicates Z: 54 49.545 2.245 0.908 0.671 0.849 0.698 CA 1.599 54 residues pruned to eliminate duplicates Z: 131 78.669 2.270 0.815 0.640 0.900 0.562 CA 1.633 131 residues pruned to eliminate duplicates Z: 37 24.038 2.084 0.949 0.482 0.750 0.528 CB 1.339 37 residues pruned to eliminate duplicates Z: 29 39.016 2.198 1.127 0.661 0.929 0.500 CB 1.464 29 residues pruned to eliminate duplicates Z: 98 72.253 2.249 0.836 0.680 0.928 0.619 CA 1.624 98 residues pruned to eliminate duplicates Z: 129 82.644 2.264 0.874 0.652 0.914 0.609 CA 1.635 129 residues pruned to eliminate duplicates Z: 102 71.631 2.246 0.854 0.685 0.891 0.663 CA 1.620 102 residues pruned to eliminate duplicates Z: 103 76.646 2.273 0.899 0.671 0.931 0.676 CA 1.612 103 residues pruned to eliminate duplicates Z: 137 79.074 2.260 0.803 0.635 0.904 0.588 CA 1.621 137 residues pruned to eliminate duplicates Z: 29 35.789 2.190 0.940 0.599 0.964 0.464 CB 1.502 29 residues pruned to eliminate duplicates Z: 33 28.214 2.190 0.894 0.504 0.812 0.469 CB 1.474 33 residues pruned to eliminate duplicates Z: 35 34.065 2.187 1.017 0.552 0.882 0.559 CB 1.428 35 residues pruned to eliminate duplicates Z: 130 82.630 2.292 0.840 0.657 0.899 0.612 CB 1.657 130 residues pruned to eliminate duplicates Z: 53 52.145 2.226 0.804 0.712 0.942 0.769 CA 1.577 53 residues pruned to eliminate duplicates Z: 112 78.315 2.295 0.800 0.682 0.928 0.658 CA 1.640 112 residues pruned to eliminate duplicates Z: 106 70.281 2.234 0.849 0.660 0.895 0.619 CA 1.598 106 residues pruned to eliminate duplicates Z: 52 59.879 2.258 0.944 0.724 0.961 0.667 CB 1.624 52 residues pruned to eliminate duplicates Z: 133 79.937 2.272 0.896 0.614 0.886 0.598 CB 1.636 133 residues pruned to eliminate duplicates Z: 107 67.285 2.215 0.870 0.641 0.887 0.566 CB 1.560 107 residues pruned to eliminate duplicates Z: 46 37.658 2.070 1.068 0.628 0.867 0.356 CB 1.342 46 residues pruned to eliminate duplicates Z: 144 76.593 2.229 0.863 0.599 0.881 0.594 CA 1.593 144 residues pruned to eliminate duplicates Z: 124 75.097 2.256 0.836 0.605 0.927 0.593 CA 1.596 124 residues pruned to eliminate duplicates Z: 99 61.222 2.234 0.693 0.644 0.898 0.622 CB 1.592 99 residues pruned to eliminate duplicates Z: 57 50.308 2.219 0.958 0.662 0.893 0.571 CB 1.491 57 residues pruned to eliminate duplicates Z: 133 86.583 2.312 0.923 0.636 0.886 0.614 CA 1.684 133 residues pruned to eliminate duplicates Z: 122 78.043 2.270 0.822 0.649 0.917 0.521 CB 1.628 122 residues pruned to eliminate duplicates Z: 131 84.686 2.273 0.935 0.651 0.900 0.646 CA 1.630 131 residues pruned to eliminate duplicates Z: 111 73.919 2.277 0.844 0.639 0.900 0.591 CA 1.638 111 residues pruned to eliminate duplicates Z: 136 81.966 2.278 0.854 0.632 0.904 0.600 CA 1.633 136 residues pruned to eliminate duplicates Z: 104 70.290 2.275 0.813 0.649 0.913 0.650 CA 1.602 104 residues pruned to eliminate duplicates Z: 106 75.587 2.287 0.952 0.632 0.886 0.638 CA 1.647 106 residues pruned to eliminate duplicates Z: 132 82.643 2.279 0.926 0.636 0.878 0.565 CA 1.650 132 residues pruned to eliminate duplicates Z: 61 55.812 2.258 0.776 0.690 0.950 0.700 CA 1.590 61 residues pruned to eliminate duplicates Z: 135 73.736 2.251 0.850 0.581 0.858 0.634 CB 1.648 135 residues pruned to eliminate duplicates Z: 131 84.848 2.277 0.921 0.636 0.923 0.585 CB 1.622 131 residues pruned to eliminate duplicates Z: 94 68.066 2.259 0.908 0.649 0.871 0.634 CA 1.637 94 residues pruned to eliminate duplicates Z: 89 61.029 2.214 0.819 0.632 0.932 0.682 CA 1.531 89 residues pruned to eliminate duplicates Z: 130 84.189 2.302 0.890 0.637 0.891 0.558 CB 1.681 130 residues pruned to eliminate duplicates Z: 30 37.753 2.207 0.988 0.685 0.862 0.724 CA 1.564 30 residues pruned to eliminate duplicates Z: 81 62.295 2.314 0.761 0.658 0.900 0.663 CA 1.640 81 residues pruned to eliminate duplicates Z: 134 85.515 2.296 0.955 0.622 0.880 0.609 CA 1.674 134 residues pruned to eliminate duplicates Z: 83 60.212 2.295 0.854 0.588 0.866 0.634 CB 1.659 83 residues pruned to eliminate duplicates Z: 105 71.493 2.316 0.831 0.643 0.875 0.663 CA 1.652 105 residues pruned to eliminate duplicates Z: 89 63.010 2.273 0.826 0.611 0.875 0.602 CA 1.664 89 residues pruned to eliminate duplicates Z: 104 65.263 2.257 0.818 0.588 0.874 0.680 CB 1.648 128 residues pruned to eliminate duplicates Z: 147 76.103 2.232 0.813 0.576 0.904 0.589 CA 1.600 147 residues pruned to eliminate duplicates Z: 137 80.663 2.257 0.955 0.613 0.868 0.574 CB 1.623 137 residues pruned to eliminate duplicates Z: 118 81.034 2.279 0.896 0.665 0.915 0.624 CB 1.626 118 residues pruned to eliminate duplicates Z: 119 82.521 2.288 0.927 0.665 0.881 0.619 CB 1.678 119 residues pruned to eliminate duplicates Z: 69 58.316 2.283 0.769 0.643 0.926 0.662 CA 1.654 69 residues pruned to eliminate duplicates Z: 118 74.437 2.259 0.851 0.651 0.880 0.573 CB 1.623 118 residues pruned to eliminate duplicates Z: 139 83.622 2.277 0.946 0.630 0.870 0.616 CB 1.636 139 residues pruned to eliminate duplicates Z: 68 58.581 2.308 0.898 0.647 0.851 0.582 CB 1.674 68 residues pruned to eliminate duplicates Z: 96 70.496 2.247 0.835 0.665 0.905 0.632 CB 1.662 96 residues pruned to eliminate duplicates Z: 80 70.086 2.328 0.990 0.622 0.886 0.620 CA 1.713 80 residues pruned to eliminate duplicates Z: 126 82.558 2.292 0.920 0.647 0.888 0.680 CA 1.647 126 residues pruned to eliminate duplicates Z: 104 81.370 2.319 0.935 0.650 0.932 0.592 CA 1.668 104 residues pruned to eliminate duplicates Z: 93 71.197 2.321 0.882 0.635 0.913 0.609 CA 1.640 93 residues pruned to eliminate duplicates Z: 82 60.844 2.296 0.892 0.589 0.864 0.617 CB 1.654 82 residues pruned to eliminate duplicates Z: 105 77.746 2.311 0.900 0.647 0.913 0.606 CA 1.656 105 residues pruned to eliminate duplicates Z: 80 65.776 2.336 0.937 0.599 0.873 0.595 CB 1.704 80 residues pruned to eliminate duplicates Z: 134 83.346 2.268 0.986 0.621 0.887 0.534 CB 1.614 134 residues pruned to eliminate duplicates Z: 94 75.612 2.307 0.978 0.645 0.903 0.559 CA 1.662 94 residues pruned to eliminate duplicates Z: 82 66.467 2.291 1.003 0.588 0.901 0.543 CB 1.641 82 residues pruned to eliminate duplicates Z: 82 68.146 2.308 1.024 0.600 0.864 0.654 CB 1.704 82 residues pruned to eliminate duplicates Z: 105 74.161 2.283 0.953 0.644 0.875 0.673 CA 1.630 105 residues pruned to eliminate duplicates Z: 93 76.055 2.278 0.944 0.640 0.935 0.533 CB 1.681 93 residues pruned to eliminate duplicates Z: 64 63.001 2.285 0.965 0.673 0.921 0.571 CB 1.638 64 residues pruned to eliminate duplicates Z: 87 55.970 2.260 0.903 0.555 0.826 0.570 CA 1.611 87 residues pruned to eliminate duplicates Z: 132 88.653 2.255 1.033 0.636 0.931 0.504 CB 1.596 132 residues pruned to eliminate duplicates Z: 134 88.171 2.297 0.931 0.627 0.917 0.541 CB 1.668 134 residues pruned to eliminate duplicates Z: 57 51.858 2.290 0.935 0.578 0.893 0.536 CA 1.624 57 residues pruned to eliminate duplicates Z: 132 91.024 2.292 0.955 0.645 0.931 0.580 CA 1.664 132 residues pruned to eliminate duplicates Z: 107 79.074 2.254 1.031 0.637 0.915 0.575 CB 1.613 107 residues pruned to eliminate duplicates Z: 111 80.311 2.282 1.003 0.628 0.891 0.491 CA 1.667 111 residues pruned to eliminate duplicates Z: 126 82.408 2.277 0.942 0.649 0.888 0.552 CB 1.633 126 residues pruned to eliminate duplicates Z: 130 87.658 2.277 0.973 0.648 0.899 0.566 CA 1.664 130 residues pruned to eliminate duplicates Z: 128 85.799 2.233 0.963 0.650 0.921 0.535 CB 1.639 128 residues pruned to eliminate duplicates Z: 72 60.702 2.224 0.976 0.641 0.901 0.620 CB 1.594 72 residues pruned to eliminate duplicates Z: 87 74.196 2.299 0.852 0.706 0.953 0.721 CA 1.634 87 residues pruned to eliminate duplicates Z: 98 73.082 2.264 0.946 0.637 0.897 0.546 CB 1.651 98 residues pruned to eliminate duplicates Z: 82 70.611 2.305 0.989 0.602 0.926 0.531 CB 1.677 82 residues pruned to eliminate duplicates Z: 80 49.164 2.191 0.874 0.567 0.823 0.506 CB 1.535 80 residues pruned to eliminate duplicates Z: 119 81.252 2.249 1.012 0.652 0.873 0.525 CB 1.643 119 residues pruned to eliminate duplicates Z: 54 54.975 2.329 1.012 0.574 0.887 0.509 CB 1.691 54 residues pruned to eliminate duplicates Z: 115 85.506 2.297 0.938 0.685 0.930 0.605 CA 1.632 115 residues pruned to eliminate duplicates Z: 81 64.252 2.310 0.958 0.594 0.863 0.588 CA 1.682 81 residues pruned to eliminate duplicates Z: 125 83.728 2.274 0.909 0.656 0.911 0.597 CB 1.643 125 residues pruned to eliminate duplicates Z: 104 75.456 2.285 1.009 0.634 0.874 0.466 CB 1.634 104 residues pruned to eliminate duplicates Z: 103 77.772 2.313 0.945 0.636 0.922 0.598 CA 1.635 103 residues pruned to eliminate duplicates Z: 135 87.320 2.239 0.961 0.625 0.933 0.537 CB 1.637 135 residues pruned to eliminate duplicates Z: 30 37.606 2.331 0.867 0.534 0.931 0.621 CB 1.667 30 residues pruned to eliminate duplicates Z: 85 72.196 2.300 0.913 0.661 0.893 0.595 CA 1.727 85 residues pruned to eliminate duplicates Z: 56 41.497 2.129 0.941 0.501 0.909 0.564 CB 1.488 56 residues pruned to eliminate duplicates Z: 98 73.254 2.229 0.987 0.630 0.918 0.577 CB 1.620 98 residues pruned to eliminate duplicates Z: 132 86.757 2.269 0.988 0.621 0.924 0.511 CB 1.623 132 residues pruned to eliminate duplicates Z: 105 76.830 2.287 0.901 0.641 0.923 0.644 CA 1.645 105 residues pruned to eliminate duplicates Z: 94 73.556 2.278 0.872 0.685 0.903 0.613 CA 1.671 94 residues pruned to eliminate duplicates Z: 80 74.588 2.327 1.025 0.624 0.937 0.671 CA 1.691 80 residues pruned to eliminate duplicates Z: 105 79.308 2.318 1.060 0.636 0.875 0.635 CA 1.639 105 residues pruned to eliminate duplicates Z: 124 81.075 2.272 0.970 0.636 0.878 0.520 CB 1.638 124 residues pruned to eliminate duplicates Z: 53 51.753 2.326 1.051 0.562 0.846 0.462 CA 1.674 53 residues pruned to eliminate duplicates Z: 132 90.014 2.284 1.049 0.653 0.901 0.588 CB 1.619 132 residues pruned to eliminate duplicates Z: 119 90.105 2.260 1.106 0.658 0.915 0.500 CB 1.644 119 residues pruned to eliminate duplicates Z: 42 37.418 2.326 0.886 0.472 0.829 0.512 CB 1.653 42 residues pruned to eliminate duplicates Z: 100 69.668 2.269 0.945 0.608 0.879 0.556 CA 1.629 100 residues pruned to eliminate duplicates Z: 146 85.114 2.248 0.910 0.619 0.917 0.579 CB 1.604 146 residues pruned to eliminate duplicates Z: 91 65.504 2.257 1.010 0.581 0.878 0.489 CB 1.604 91 residues pruned to eliminate duplicates Z: 132 93.819 2.303 1.024 0.659 0.916 0.588 CB 1.657 132 residues pruned to eliminate duplicates Z: 22 22.816 2.227 1.183 0.393 0.762 0.333 CA 1.505 22 residues pruned to eliminate duplicates Z: 61 36.567 2.125 0.844 0.426 0.867 0.517 CA 1.501 61 residues pruned to eliminate duplicates Z: 59 38.079 2.229 0.790 0.480 0.810 0.517 CA 1.578 59 residues pruned to eliminate duplicates Z: 70 50.297 2.277 0.895 0.575 0.841 0.536 CB 1.553 70 residues pruned to eliminate duplicates Z: 139 83.477 2.245 1.047 0.639 0.877 0.543 CB 1.549 139 residues pruned to eliminate duplicates Z: 92 79.681 2.322 1.070 0.657 0.890 0.615 CA 1.687 92 residues pruned to eliminate duplicates Z: 77 68.616 2.288 1.059 0.618 0.895 0.526 CA 1.670 77 residues pruned to eliminate duplicates Z: 8 8.179 2.043 1.216 0.331 0.571 0.286 CA 1.439 8 residues pruned to eliminate duplicates Z: 53 28.992 2.056 0.603 0.390 0.885 0.500 CA 1.549 53 residues pruned to eliminate duplicates Z: 77 56.175 2.287 0.962 0.516 0.868 0.487 CB 1.627 77 residues pruned to eliminate duplicates Z: 274 112.411 2.268 0.891 0.591 0.901 0.593 CA 1.614 274 residues pruned to eliminate duplicates Z: 256 118.770 2.282 0.955 0.622 0.906 0.604 CA 1.639 263 residues pruned to eliminate duplicates Z: 24 18.572 2.175 0.346 0.542 0.826 0.565 CA 1.536 24 residues pruned to eliminate duplicates Z: 149 87.027 2.293 0.841 0.602 0.932 0.574 CA 1.648 149 residues pruned to eliminate duplicates Z: 48 25.506 2.031 0.493 0.448 0.872 0.532 CA 1.484 48 residues pruned to eliminate duplicates Z: 25 22.247 2.194 0.536 0.525 0.875 0.625 CA 1.503 25 residues pruned to eliminate duplicates Z: 44 29.217 2.106 0.537 0.490 0.907 0.558 CA 1.532 44 residues pruned to eliminate duplicates Z: 44 31.270 2.100 0.726 0.485 0.884 0.535 CA 1.512 44 residues pruned to eliminate duplicates Z: 149 82.258 2.274 0.899 0.583 0.899 0.588 CA 1.609 149 residues pruned to eliminate duplicates Z: 43 26.818 2.149 0.567 0.445 0.857 0.548 CB 1.517 43 residues pruned to eliminate duplicates Z: 43 32.026 2.120 0.619 0.490 0.929 0.548 CA 1.566 43 residues pruned to eliminate duplicates Z: 40 36.499 2.191 0.802 0.496 0.923 0.410 CA 1.610 40 residues pruned to eliminate duplicates Z: 150 89.489 2.301 0.884 0.595 0.926 0.597 CA 1.668 150 residues pruned to eliminate duplicates Z: 73 34.875 2.104 0.646 0.439 0.889 0.597 CB 1.422 73 residues pruned to eliminate duplicates Z: 150 90.664 2.286 0.918 0.610 0.933 0.611 CA 1.636 150 residues pruned to eliminate duplicates Z: 182 85.701 2.228 0.871 0.572 0.901 0.619 CA 1.583 182 residues pruned to eliminate duplicates Z: 119 78.849 2.298 0.839 0.614 0.941 0.627 CA 1.640 119 residues pruned to eliminate duplicates Z: 24 29.194 2.253 1.008 0.523 0.870 0.522 CA 1.512 24 residues pruned to eliminate duplicates Z: 27 27.767 2.203 0.800 0.479 0.923 0.615 CA 1.520 27 residues pruned to eliminate duplicates Z: 139 72.821 2.234 0.826 0.563 0.913 0.630 CA 1.565 139 residues pruned to eliminate duplicates Z: 129 80.532 2.299 0.826 0.632 0.914 0.609 CA 1.639 129 residues pruned to eliminate duplicates Z: 41 33.466 2.158 0.757 0.487 0.900 0.675 CA 1.571 41 residues pruned to eliminate duplicates Z: 126 83.841 2.311 0.926 0.620 0.912 0.624 CA 1.649 126 residues pruned to eliminate duplicates Z: 123 70.486 2.270 0.759 0.599 0.918 0.590 CA 1.583 123 residues pruned to eliminate duplicates Z: 24 10.749 1.744 0.481 0.402 0.783 0.391 CB 1.229 24 residues pruned to eliminate duplicates Z: 49 28.046 2.070 0.699 0.428 0.854 0.479 CB 1.453 49 residues pruned to eliminate duplicates Z: 140 78.744 2.272 0.826 0.582 0.921 0.676 CA 1.615 140 residues pruned to eliminate duplicates Z: 40 34.778 2.178 0.621 0.517 0.974 0.564 CB 1.593 40 residues pruned to eliminate duplicates Z: 150 82.245 2.299 0.840 0.597 0.899 0.638 CA 1.614 150 residues pruned to eliminate duplicates Z: 34 20.471 2.037 0.638 0.352 0.879 0.606 CA 1.426 34 residues pruned to eliminate duplicates Z: 30 21.237 2.094 0.716 0.393 0.828 0.552 CB 1.484 30 residues pruned to eliminate duplicates Z: 142 81.305 2.276 0.927 0.582 0.879 0.589 CA 1.641 142 residues pruned to eliminate duplicates Z: 121 81.412 2.306 0.786 0.641 0.950 0.600 CA 1.665 121 residues pruned to eliminate duplicates Z: 43 30.537 2.142 0.703 0.471 0.905 0.476 CB 1.471 43 residues pruned to eliminate duplicates Z: 45 32.452 2.121 0.705 0.477 0.955 0.591 CB 1.451 45 residues pruned to eliminate duplicates Z: 52 29.899 2.073 0.680 0.443 0.863 0.471 CB 1.478 52 residues pruned to eliminate duplicates Z: 150 90.031 2.292 0.895 0.606 0.926 0.651 CA 1.657 150 residues pruned to eliminate duplicates Z: 49 29.866 2.104 0.741 0.432 0.833 0.458 CB 1.516 49 residues pruned to eliminate duplicates Z: 134 80.811 2.300 0.881 0.610 0.887 0.609 CA 1.645 134 residues pruned to eliminate duplicates Z: 156 83.455 2.265 0.910 0.584 0.884 0.645 CA 1.617 156 residues pruned to eliminate duplicates Z: 68 49.858 2.245 0.785 0.564 0.881 0.597 CA 1.622 68 residues pruned to eliminate duplicates Z: 132 85.553 2.295 0.910 0.646 0.931 0.649 CA 1.597 150 residues pruned to eliminate duplicates Z: 114 82.806 2.308 0.877 0.672 0.938 0.584 CA 1.636 114 residues pruned to eliminate duplicates Z: 103 68.575 2.250 0.892 0.656 0.863 0.539 CA 1.599 103 residues pruned to eliminate duplicates Z: 118 89.072 2.334 0.998 0.671 0.932 0.684 CA 1.619 118 residues pruned to eliminate duplicates Z: 154 82.936 2.224 0.831 0.630 0.922 0.673 CA 1.581 168 residues pruned to eliminate duplicates Z: 112 80.608 2.342 0.979 0.644 0.910 0.640 CA 1.586 112 residues pruned to eliminate duplicates Z: 114 73.400 2.249 0.875 0.644 0.903 0.664 CA 1.586 114 residues pruned to eliminate duplicates Z: 109 83.780 2.356 0.964 0.653 0.907 0.657 CA 1.666 109 residues pruned to eliminate duplicates Z: 131 87.775 2.308 0.923 0.652 0.931 0.669 CA 1.617 131 residues pruned to eliminate duplicates Z: 73 68.899 2.348 0.893 0.689 0.944 0.681 CA 1.627 73 residues pruned to eliminate duplicates Z: 108 77.842 2.316 0.894 0.663 0.916 0.617 CA 1.610 108 residues pruned to eliminate duplicates Z: 132 86.813 2.288 0.980 0.657 0.916 0.634 CA 1.581 132 residues pruned to eliminate duplicates Z: 42 43.212 2.163 1.067 0.620 0.878 0.585 CB 1.535 42 residues pruned to eliminate duplicates Z: 134 76.787 2.215 0.895 0.615 0.887 0.594 CA 1.604 134 residues pruned to eliminate duplicates Z: 135 85.172 2.280 0.899 0.631 0.918 0.590 CA 1.637 135 residues pruned to eliminate duplicates Z: 128 91.199 2.322 0.981 0.681 0.913 0.654 CA 1.632 128 residues pruned to eliminate duplicates Z: 107 83.755 2.381 1.011 0.637 0.915 0.575 CA 1.633 107 residues pruned to eliminate duplicates Z: 132 89.315 2.287 0.983 0.643 0.931 0.603 CA 1.618 132 residues pruned to eliminate duplicates Z: 129 85.513 2.312 0.933 0.644 0.922 0.648 CA 1.604 129 residues pruned to eliminate duplicates Z: 137 91.964 2.272 0.999 0.641 0.934 0.610 CA 1.630 137 residues pruned to eliminate duplicates Z: 104 73.163 2.228 0.916 0.630 0.913 0.583 CA 1.637 104 residues pruned to eliminate duplicates Z: 110 82.755 2.352 0.935 0.631 0.917 0.615 CA 1.679 110 residues pruned to eliminate duplicates Z: 76 70.489 2.366 0.964 0.679 0.907 0.707 CA 1.638 76 residues pruned to eliminate duplicates Z: 102 84.362 2.330 1.005 0.623 0.960 0.584 CA 1.666 102 residues pruned to eliminate duplicates Z: 127 87.173 2.312 0.992 0.637 0.905 0.571 CA 1.638 127 residues pruned to eliminate duplicates Z: 117 87.591 2.299 0.978 0.673 0.922 0.681 CA 1.653 117 residues pruned to eliminate duplicates Z: 130 88.948 2.308 0.908 0.661 0.930 0.651 CA 1.646 130 residues pruned to eliminate duplicates Z: 127 93.394 2.310 1.030 0.675 0.937 0.587 CA 1.613 127 residues pruned to eliminate duplicates Z: 86 77.021 2.370 1.058 0.686 0.871 0.647 CA 1.659 86 residues pruned to eliminate duplicates Z: 133 87.293 2.292 0.995 0.636 0.886 0.583 CA 1.650 133 residues pruned to eliminate duplicates Z: 133 83.308 2.283 0.893 0.631 0.909 0.621 CA 1.632 133 residues pruned to eliminate duplicates Z: 129 79.105 2.278 0.921 0.611 0.883 0.547 CA 1.628 129 residues pruned to eliminate duplicates Z: 132 90.005 2.299 0.967 0.650 0.931 0.618 CA 1.625 132 residues pruned to eliminate duplicates Z: 125 89.839 2.315 0.978 0.665 0.919 0.621 CA 1.645 125 residues pruned to eliminate duplicates Z: 131 88.837 2.295 0.935 0.664 0.931 0.600 CA 1.620 131 residues pruned to eliminate duplicates Z: 133 87.300 2.294 0.920 0.644 0.932 0.629 CA 1.619 133 residues pruned to eliminate duplicates Z: 132 84.332 2.274 0.931 0.637 0.931 0.534 CA 1.585 132 residues pruned to eliminate duplicates Z: 93 76.906 2.371 0.994 0.641 0.913 0.663 CA 1.627 93 residues pruned to eliminate duplicates Z: 105 73.999 2.226 1.024 0.622 0.923 0.558 CA 1.554 105 residues pruned to eliminate duplicates Z: 106 78.758 2.283 0.956 0.654 0.905 0.619 CA 1.649 106 residues pruned to eliminate duplicates Z: 94 84.489 2.320 1.006 0.697 0.957 0.688 CA 1.644 94 residues pruned to eliminate duplicates Z: 133 94.058 2.323 1.008 0.635 0.924 0.598 CA 1.673 133 residues pruned to eliminate duplicates Z: 120 90.031 2.295 1.016 0.656 0.941 0.622 CA 1.639 120 residues pruned to eliminate duplicates Z: 130 94.393 2.315 1.024 0.674 0.915 0.612 CA 1.651 130 residues pruned to eliminate duplicates Z: 114 86.569 2.308 1.026 0.673 0.912 0.637 CA 1.630 114 residues pruned to eliminate duplicates Z: 119 88.524 2.271 1.016 0.675 0.932 0.619 CA 1.626 119 residues pruned to eliminate duplicates Z: 100 81.956 2.307 1.054 0.672 0.919 0.596 CA 1.613 100 residues pruned to eliminate duplicates Z: 130 90.726 2.309 0.985 0.668 0.922 0.636 CA 1.617 130 residues pruned to eliminate duplicates Z: 125 77.788 2.286 0.909 0.634 0.879 0.540 CA 1.607 125 residues pruned to eliminate duplicates Z: 101 86.190 2.331 1.006 0.670 0.950 0.650 CA 1.657 101 residues pruned to eliminate duplicates Z: 128 81.294 2.268 1.005 0.615 0.874 0.528 CB 1.628 128 residues pruned to eliminate duplicates Z: 125 83.471 2.276 0.988 0.653 0.895 0.597 CA 1.604 125 residues pruned to eliminate duplicates Z: 73 79.336 2.388 1.120 0.683 0.917 0.583 CA 1.703 73 residues pruned to eliminate duplicates Z: 130 97.417 2.311 1.094 0.657 0.899 0.558 CA 1.703 130 residues pruned to eliminate duplicates Z: 99 86.860 2.299 1.047 0.678 0.929 0.633 CA 1.704 99 residues pruned to eliminate duplicates Z: 97 83.819 2.309 1.026 0.698 0.938 0.646 CA 1.628 97 residues pruned to eliminate duplicates Z: 107 83.305 2.288 1.014 0.652 0.915 0.547 CA 1.666 107 residues pruned to eliminate duplicates Z: 96 89.065 2.335 1.097 0.707 0.937 0.653 CA 1.651 96 residues pruned to eliminate duplicates Z: 130 90.433 2.302 1.000 0.657 0.907 0.605 CA 1.648 130 residues pruned to eliminate duplicates Z: 88 63.483 2.328 0.929 0.603 0.862 0.563 CA 1.593 88 residues pruned to eliminate duplicates Z: 131 92.131 2.292 1.007 0.652 0.946 0.577 CA 1.612 131 residues pruned to eliminate duplicates Z: 23 33.341 2.323 0.907 0.634 0.864 0.545 CA 1.640 23 residues pruned to eliminate duplicates Z: 27 40.731 2.300 1.074 0.601 0.962 0.577 CA 1.582 27 residues pruned to eliminate duplicates Z: 112 90.597 2.308 1.075 0.702 0.919 0.595 CA 1.626 112 residues pruned to eliminate duplicates Z: 63 63.185 2.325 1.000 0.689 0.903 0.677 CA 1.607 63 residues pruned to eliminate duplicates Z: 135 83.400 2.284 0.981 0.626 0.881 0.567 CA 1.606 135 residues pruned to eliminate duplicates Z: 101 82.810 2.319 0.976 0.688 0.930 0.690 CA 1.635 101 residues pruned to eliminate duplicates Z: 57 55.221 2.285 0.969 0.631 0.875 0.571 CA 1.657 57 residues pruned to eliminate duplicates Z: 141 83.319 2.248 0.937 0.609 0.900 0.636 CA 1.621 141 residues pruned to eliminate duplicates Z: 116 88.849 2.295 1.041 0.666 0.939 0.643 CA 1.615 116 residues pruned to eliminate duplicates Z: 45 34.714 2.153 0.865 0.495 0.864 0.523 CA 1.517 45 residues pruned to eliminate duplicates Z: 112 89.248 2.290 1.066 0.678 0.910 0.604 CA 1.670 112 residues pruned to eliminate duplicates Z: 116 79.891 2.268 0.961 0.593 0.939 0.617 CA 1.631 116 residues pruned to eliminate duplicates Z: 129 90.339 2.316 0.977 0.673 0.906 0.656 CA 1.641 129 residues pruned to eliminate duplicates Z: 37 32.842 2.197 0.924 0.525 0.861 0.528 CB 1.466 37 residues pruned to eliminate duplicates Z: 132 91.737 2.278 1.041 0.657 0.908 0.573 CA 1.640 132 residues pruned to eliminate duplicates Z: 32 35.517 2.271 0.876 0.557 0.903 0.548 CA 1.568 32 residues pruned to eliminate duplicates Z: 42 36.728 2.207 0.771 0.538 0.951 0.512 CB 1.486 42 residues pruned to eliminate duplicates Z: 77 73.860 2.325 1.055 0.661 0.921 0.579 CA 1.659 77 residues pruned to eliminate duplicates Z: 129 94.178 2.309 1.075 0.642 0.906 0.586 CA 1.680 129 residues pruned to eliminate duplicates Z: 103 82.925 2.364 0.997 0.647 0.902 0.598 CA 1.682 103 residues pruned to eliminate duplicates Z: 133 89.860 2.280 1.021 0.635 0.917 0.591 CA 1.632 133 residues pruned to eliminate duplicates Z: 129 99.048 2.306 1.060 0.653 0.938 0.547 CB 1.705 129 residues pruned to eliminate duplicates Z: 123 85.795 2.281 0.985 0.655 0.910 0.631 CA 1.632 123 residues pruned to eliminate duplicates Z: 36 39.038 2.298 1.131 0.525 0.857 0.457 CB 1.533 36 residues pruned to eliminate duplicates Z: 109 97.181 2.379 1.072 0.658 0.954 0.537 CA 1.718 109 residues pruned to eliminate duplicates Z: 56 34.272 2.092 0.848 0.455 0.909 0.491 CB 1.377 56 residues pruned to eliminate duplicates Z: 31 29.553 2.232 0.936 0.522 0.800 0.400 CB 1.527 31 residues pruned to eliminate duplicates Z: 37 36.485 2.232 0.971 0.532 0.917 0.583 CB 1.461 37 residues pruned to eliminate duplicates Z: 133 94.254 2.306 1.061 0.643 0.924 0.545 CA 1.634 133 residues pruned to eliminate duplicates Z: 34 31.746 2.204 0.952 0.531 0.848 0.545 CB 1.469 34 residues pruned to eliminate duplicates Z: 32 33.552 2.260 0.966 0.512 0.839 0.387 CA 1.598 32 residues pruned to eliminate duplicates Z: 33 33.475 2.231 0.896 0.541 0.875 0.562 CA 1.536 33 residues pruned to eliminate duplicates Z: 31 33.917 2.250 1.015 0.584 0.833 0.567 CB 1.512 31 residues pruned to eliminate duplicates Z: 133 89.737 2.294 1.003 0.642 0.917 0.576 CA 1.624 133 residues pruned to eliminate duplicates Z: 43 35.662 2.200 0.894 0.535 0.881 0.524 CB 1.448 43 residues pruned to eliminate duplicates Z: 33 38.400 2.304 0.945 0.591 0.875 0.625 CA 1.586 33 residues pruned to eliminate duplicates Z: 134 92.562 2.304 0.965 0.657 0.932 0.526 CA 1.644 134 residues pruned to eliminate duplicates Z: 33 33.787 2.247 0.860 0.577 0.906 0.500 CB 1.465 33 residues pruned to eliminate duplicates Z: 132 96.679 2.305 1.071 0.663 0.924 0.641 CA 1.647 132 residues pruned to eliminate duplicates Z: 166 83.021 2.205 0.916 0.596 0.891 0.515 CB 1.567 166 residues pruned to eliminate duplicates Z: 94 81.748 2.349 1.097 0.634 0.903 0.559 CB 1.680 94 residues pruned to eliminate duplicates Z: 135 85.576 2.287 0.961 0.628 0.910 0.567 CA 1.604 135 residues pruned to eliminate duplicates Z: 137 90.071 2.266 1.030 0.638 0.904 0.485 CB 1.631 137 residues pruned to eliminate duplicates Z: 12 9.361 1.754 0.813 0.361 0.909 0.636 CB 1.134 9 residues pruned to eliminate duplicates Z: 6 6.651 1.568 0.553 0.457 1.000 0.600 O 1.276 6 residues pruned to eliminate duplicates Z: 31 24.216 1.953 0.623 0.578 0.933 0.667 CB 1.386 31 residues pruned to eliminate duplicates Z: 30 20.770 1.873 0.645 0.615 0.897 0.517 CB 1.252 30 residues pruned to eliminate duplicates Z: 17 21.383 1.924 0.583 0.740 1.000 0.750 CB 1.416 17 residues pruned to eliminate duplicates Z: 30 18.954 1.882 0.450 0.603 0.897 0.586 CB 1.304 30 residues pruned to eliminate duplicates Z: 42 24.211 1.863 0.635 0.650 0.878 0.561 CB 1.230 42 residues pruned to eliminate duplicates Z: 99 38.879 1.900 0.447 0.658 0.929 0.694 CB 1.327 101 residues pruned to eliminate duplicates Z: 16 20.530 1.934 0.518 0.895 1.000 0.933 CB 1.294 16 residues pruned to eliminate duplicates Z: 33 18.948 1.872 0.438 0.526 0.875 0.562 CB 1.386 33 residues pruned to eliminate duplicates Z: 30 24.082 1.892 0.645 0.596 0.931 0.655 CB 1.408 30 residues pruned to eliminate duplicates Z: 16 16.232 1.936 0.371 0.847 0.867 0.667 CB 1.352 16 residues pruned to eliminate duplicates Z: 51 26.481 1.876 0.583 0.612 0.920 0.520 CB 1.232 51 residues pruned to eliminate duplicates Z: 93 38.790 1.928 0.553 0.659 0.913 0.554 CB 1.276 90 residues pruned to eliminate duplicates Z: 17 19.284 1.856 0.507 0.851 0.938 0.875 CB 1.362 17 residues pruned to eliminate duplicates Z: 33 20.081 1.906 0.604 0.571 0.844 0.562 CB 1.285 37 residues pruned to eliminate duplicates Z: 17 22.173 1.872 0.651 0.840 1.000 0.625 CB 1.338 17 residues pruned to eliminate duplicates Z: 27 21.161 1.918 0.590 0.658 0.885 0.538 CB 1.328 27 residues pruned to eliminate duplicates Z: 33 23.825 1.924 0.674 0.596 0.875 0.562 CB 1.363 33 residues pruned to eliminate duplicates Z: 21 21.339 1.747 0.721 0.752 1.000 0.750 CB 1.268 21 residues pruned to eliminate duplicates Z: 87 37.956 1.911 0.572 0.657 0.907 0.651 CB 1.298 87 residues pruned to eliminate duplicates Z: 29 22.127 1.919 0.746 0.589 0.929 0.536 CB 1.235 29 residues pruned to eliminate duplicates Z: 34 22.324 1.890 0.732 0.584 0.818 0.545 CB 1.339 34 residues pruned to eliminate duplicates Z: 79 35.549 1.936 0.503 0.644 0.923 0.641 CB 1.311 79 residues pruned to eliminate duplicates Z: 87 42.412 1.910 0.564 0.679 0.953 0.558 CB 1.362 87 residues pruned to eliminate duplicates Z: 114 46.551 1.974 0.552 0.610 0.920 0.558 CB 1.399 38 residues pruned to eliminate duplicates Z: 10 12.591 1.743 0.423 0.895 1.000 0.556 CB 1.213 10 residues pruned to eliminate duplicates Z: 43 23.998 1.822 0.748 0.578 0.905 0.381 CB 1.192 43 residues pruned to eliminate duplicates Z: 40 22.745 1.827 0.743 0.637 0.872 0.462 CB 1.154 40 residues pruned to eliminate duplicates Z: 70 34.266 1.915 0.527 0.646 0.928 0.710 CB 1.327 70 residues pruned to eliminate duplicates Z: 63 33.995 1.913 0.564 0.670 0.919 0.629 CB 1.342 63 residues pruned to eliminate duplicates Z: 71 30.973 1.875 0.535 0.640 0.871 0.657 CB 1.295 67 residues pruned to eliminate duplicates Z: 11 12.756 1.776 0.355 0.890 1.000 0.700 CA 1.206 11 residues pruned to eliminate duplicates Z: 67 28.146 1.907 0.390 0.616 0.894 0.636 CB 1.310 67 residues pruned to eliminate duplicates Z: 91 33.016 1.872 0.507 0.588 0.889 0.556 CB 1.276 91 residues pruned to eliminate duplicates Z: 63 35.467 1.934 0.495 0.688 0.935 0.694 CB 1.401 63 residues pruned to eliminate duplicates Z: 21 17.158 1.848 0.518 0.726 0.850 0.550 CB 1.312 21 residues pruned to eliminate duplicates Z: 10 7.734 1.803 0.317 0.589 0.778 0.444 CB 1.281 10 residues pruned to eliminate duplicates Z: 69 28.796 1.917 0.385 0.591 0.912 0.574 CB 1.323 69 residues pruned to eliminate duplicates Z: 63 27.038 1.898 0.439 0.602 0.887 0.565 CB 1.286 63 residues pruned to eliminate duplicates Z: 87 38.065 2.005 0.622 0.593 0.837 0.628 CB 1.380 54 residues pruned to eliminate duplicates Z: 14 17.329 1.965 0.328 0.871 1.000 0.769 CB 1.343 14 residues pruned to eliminate duplicates Z: 70 28.035 1.892 0.356 0.610 0.884 0.696 CB 1.340 70 residues pruned to eliminate duplicates Z: 86 38.754 1.973 0.556 0.600 0.929 0.635 CB 1.340 86 residues pruned to eliminate duplicates Z: 91 38.713 1.991 0.531 0.615 0.900 0.611 CB 1.335 91 residues pruned to eliminate duplicates Z: 104 43.640 1.946 0.611 0.638 0.922 0.583 CB 1.307 104 residues pruned to eliminate duplicates Z: 90 41.427 1.945 0.532 0.679 0.955 0.685 CB 1.308 90 residues pruned to eliminate duplicates Z: 98 38.471 1.929 0.590 0.622 0.907 0.588 CB 1.252 98 residues pruned to eliminate duplicates Z: 64 36.027 1.958 0.682 0.622 0.905 0.683 CB 1.357 64 residues pruned to eliminate duplicates Z: 50 31.976 1.972 0.499 0.662 0.959 0.633 CB 1.386 50 residues pruned to eliminate duplicates Z: 50 31.870 1.941 0.527 0.642 0.959 0.694 CB 1.402 50 residues pruned to eliminate duplicates Z: 74 36.631 1.996 0.611 0.590 0.904 0.616 CB 1.353 74 residues pruned to eliminate duplicates Z: 109 52.765 2.080 0.666 0.594 0.926 0.583 CB 1.446 109 residues pruned to eliminate duplicates Z: 79 31.224 1.943 0.538 0.580 0.833 0.603 CB 1.314 79 residues pruned to eliminate duplicates Z: 41 24.655 1.903 0.488 0.562 0.925 0.425 CA 1.401 41 residues pruned to eliminate duplicates Z: 53 27.538 1.893 0.528 0.651 0.885 0.577 CB 1.297 53 residues pruned to eliminate duplicates Z: 61 34.418 1.944 0.601 0.628 0.900 0.617 CB 1.406 61 residues pruned to eliminate duplicates Z: 108 46.450 1.947 0.632 0.665 0.907 0.579 CB 1.339 108 residues pruned to eliminate duplicates Z: 61 30.871 1.948 0.490 0.631 0.917 0.617 CB 1.325 61 residues pruned to eliminate duplicates Z: 109 39.767 1.903 0.545 0.627 0.889 0.602 CB 1.299 109 residues pruned to eliminate duplicates Z: 44 28.777 1.934 0.520 0.618 0.953 0.651 CA 1.400 44 residues pruned to eliminate duplicates Z: 61 32.816 1.934 0.427 0.699 0.933 0.750 CB 1.372 61 residues pruned to eliminate duplicates Z: 50 25.444 1.943 0.502 0.573 0.837 0.653 CB 1.387 50 residues pruned to eliminate duplicates Z: 48 25.353 1.955 0.547 0.573 0.851 0.681 CB 1.338 48 residues pruned to eliminate duplicates Z: 67 32.090 1.917 0.459 0.619 0.894 0.636 CB 1.411 67 residues pruned to eliminate duplicates Z: 71 31.989 1.926 0.575 0.600 0.900 0.571 CB 1.273 71 residues pruned to eliminate duplicates Z: 53 33.822 1.947 0.535 0.725 0.923 0.750 CB 1.388 53 residues pruned to eliminate duplicates Z: 78 41.261 1.980 0.710 0.595 0.948 0.571 CB 1.337 78 residues pruned to eliminate duplicates Z: 90 43.336 1.979 0.688 0.619 0.888 0.584 CB 1.384 90 residues pruned to eliminate duplicates Z: 77 42.683 2.006 0.735 0.601 0.947 0.605 CB 1.349 74 residues pruned to eliminate duplicates Z: 24 26.774 1.826 0.704 0.793 1.000 0.565 CB 1.388 24 residues pruned to eliminate duplicates Z: 42 32.408 1.926 0.610 0.696 0.976 0.683 CB 1.400 42 residues pruned to eliminate duplicates Z: 40 25.273 1.850 0.711 0.590 0.923 0.385 CB 1.271 40 residues pruned to eliminate duplicates Z: 42 18.486 1.914 0.440 0.427 0.878 0.537 CB 1.287 42 residues pruned to eliminate duplicates Z: 55 28.749 1.986 0.582 0.536 0.870 0.630 CB 1.381 55 residues pruned to eliminate duplicates Z: 61 37.804 1.978 0.632 0.643 0.967 0.517 CB 1.368 61 residues pruned to eliminate duplicates Z: 49 37.003 2.000 0.632 0.701 0.958 0.625 CB 1.422 49 residues pruned to eliminate duplicates Z: 59 36.664 1.947 0.734 0.644 0.931 0.638 CB 1.339 59 residues pruned to eliminate duplicates Z: 98 41.120 1.958 0.663 0.591 0.897 0.546 CB 1.310 98 residues pruned to eliminate duplicates Z: 16 11.450 1.710 0.361 0.744 0.933 0.600 CB 1.094 16 residues pruned to eliminate duplicates Z: 52 28.163 1.970 0.767 0.568 0.863 0.471 CB 1.229 52 residues pruned to eliminate duplicates Z: 32 19.364 1.828 0.804 0.544 0.903 0.516 CA 1.118 32 residues pruned to eliminate duplicates Z: 11 15.744 1.922 0.943 0.829 0.900 0.600 CB 1.114 11 residues pruned to eliminate duplicates Z: 48 31.463 1.892 0.739 0.643 0.915 0.511 CB 1.334 48 residues pruned to eliminate duplicates Z: 64 29.297 1.919 0.758 0.565 0.873 0.508 CB 1.177 64 residues pruned to eliminate duplicates Z: 63 34.845 1.938 0.608 0.636 0.952 0.548 CB 1.313 63 residues pruned to eliminate duplicates Z: 49 27.587 1.965 0.872 0.485 0.896 0.479 CB 1.226 49 residues pruned to eliminate duplicates Z: 22 23.151 1.945 0.972 0.653 0.905 0.762 CB 1.262 22 residues pruned to eliminate duplicates Z: 53 30.779 1.967 0.788 0.572 0.865 0.481 CB 1.308 53 residues pruned to eliminate duplicates Z: 53 27.275 1.954 0.650 0.528 0.846 0.577 CB 1.348 53 residues pruned to eliminate duplicates Z: 52 28.950 1.992 0.742 0.574 0.863 0.490 CB 1.261 52 residues pruned to eliminate duplicates Z: 54 32.032 1.942 0.839 0.563 0.906 0.528 CB 1.279 54 residues pruned to eliminate duplicates Z: 53 27.157 1.951 0.789 0.559 0.865 0.519 CB 1.177 53 residues pruned to eliminate duplicates Z: 42 26.125 1.936 0.722 0.634 0.927 0.683 CB 1.165 42 residues pruned to eliminate duplicates Z: 54 29.255 1.944 0.730 0.543 0.868 0.528 CB 1.320 54 residues pruned to eliminate duplicates Z: 53 35.062 1.986 0.809 0.586 0.923 0.500 CB 1.350 53 residues pruned to eliminate duplicates Z: 22 15.239 1.889 0.559 0.524 0.810 0.429 CB 1.362 22 residues pruned to eliminate duplicates Z: 17 15.530 1.939 0.768 0.581 0.750 0.625 CB 1.397 17 residues pruned to eliminate duplicates Z: 16 21.142 1.993 0.731 0.683 1.000 0.600 CB 1.337 16 residues pruned to eliminate duplicates Z: 72 33.994 1.991 0.721 0.509 0.859 0.493 CB 1.358 31 residues pruned to eliminate duplicates Z: 11 21.014 2.023 0.551 0.893 1.000 0.900 CB 1.520 11 residues pruned to eliminate duplicates Z: 94 42.402 1.963 0.655 0.609 0.946 0.602 CB 1.290 94 residues pruned to eliminate duplicates Z: 36 22.715 1.994 0.777 0.535 0.800 0.600 CB 1.308 36 residues pruned to eliminate duplicates Z: 32 26.372 2.014 0.849 0.588 0.903 0.613 CB 1.294 32 residues pruned to eliminate duplicates Z: 51 30.343 1.996 0.774 0.578 0.900 0.640 CB 1.249 51 residues pruned to eliminate duplicates Z: 39 22.507 1.952 0.794 0.527 0.789 0.474 CB 1.286 39 residues pruned to eliminate duplicates Z: 26 25.427 2.037 0.798 0.581 0.920 0.480 CB 1.396 26 residues pruned to eliminate duplicates Z: 36 25.565 2.000 0.822 0.523 0.914 0.486 CB 1.269 36 residues pruned to eliminate duplicates Z: 29 26.892 2.068 0.741 0.609 0.893 0.464 CB 1.425 29 residues pruned to eliminate duplicates Z: 43 26.360 1.984 0.737 0.533 0.857 0.548 CB 1.334 43 residues pruned to eliminate duplicates Z: 73 41.052 2.057 0.722 0.553 0.889 0.639 CB 1.460 73 residues pruned to eliminate duplicates Z: 22 17.602 1.910 0.801 0.499 0.857 0.571 CB 1.304 22 residues pruned to eliminate duplicates Z: 31 18.895 1.992 0.682 0.587 0.767 0.500 CB 1.235 31 residues pruned to eliminate duplicates Z: 20 18.133 2.051 0.581 0.512 0.842 0.526 CB 1.505 20 residues pruned to eliminate duplicates Z: 30 23.941 2.048 0.612 0.598 0.897 0.655 CB 1.368 30 residues pruned to eliminate duplicates Z: 30 25.403 2.039 0.906 0.569 0.828 0.552 CB 1.372 30 residues pruned to eliminate duplicates Z: 35 28.723 2.077 0.862 0.571 0.882 0.618 CB 1.347 35 residues pruned to eliminate duplicates Z: 49 28.238 1.989 0.781 0.583 0.854 0.646 CB 1.244 49 residues pruned to eliminate duplicates Z: 59 37.002 2.134 0.696 0.536 0.845 0.586 CB 1.534 59 residues pruned to eliminate duplicates Z: 27 25.509 2.082 0.815 0.595 0.808 0.654 CB 1.497 27 residues pruned to eliminate duplicates Z: 76 41.185 2.095 0.679 0.513 0.893 0.573 CB 1.494 76 residues pruned to eliminate duplicates Z: 51 38.790 2.192 0.698 0.543 0.880 0.580 CB 1.605 51 residues pruned to eliminate duplicates Z: 53 33.042 2.101 0.708 0.511 0.846 0.538 CB 1.492 53 residues pruned to eliminate duplicates Z: 45 32.444 2.138 0.718 0.561 0.841 0.500 CB 1.493 45 residues pruned to eliminate duplicates Z: 49 34.526 2.140 0.700 0.525 0.854 0.521 CB 1.564 49 residues pruned to eliminate duplicates Z: 28 29.107 2.215 0.703 0.491 0.889 0.630 CB 1.686 28 residues pruned to eliminate duplicates Z: 33 23.436 2.165 0.739 0.408 0.875 0.438 CB 1.386 33 residues pruned to eliminate duplicates Z: 90 46.584 2.083 0.707 0.558 0.865 0.618 CB 1.518 90 residues pruned to eliminate duplicates Z: 46 33.589 2.141 0.709 0.527 0.911 0.644 CB 1.462 46 residues pruned to eliminate duplicates Z: 26 33.299 2.339 0.833 0.530 0.880 0.720 CB 1.713 26 residues pruned to eliminate duplicates Z: 29 28.230 2.270 0.659 0.504 0.893 0.679 CB 1.580 29 residues pruned to eliminate duplicates Z: 30 29.154 2.164 0.702 0.506 0.897 0.586 CB 1.628 30 residues pruned to eliminate duplicates Z: 60 38.178 2.114 0.871 0.523 0.881 0.644 CB 1.394 60 residues pruned to eliminate duplicates Z: 25 28.441 2.286 0.631 0.544 0.958 0.542 CB 1.557 25 residues pruned to eliminate duplicates Z: 32 26.322 2.188 0.542 0.516 0.935 0.742 CB 1.474 32 residues pruned to eliminate duplicates Z: 27 33.112 2.299 0.765 0.556 0.923 0.615 CB 1.641 27 residues pruned to eliminate duplicates Z: 43 43.168 2.219 0.824 0.590 0.952 0.667 CB 1.586 43 residues pruned to eliminate duplicates Z: 44 37.537 2.196 0.713 0.531 0.930 0.628 CA 1.587 44 residues pruned to eliminate duplicates Z: 43 35.075 2.177 0.640 0.562 0.905 0.714 CB 1.578 43 residues pruned to eliminate duplicates Z: 26 27.065 2.248 0.790 0.492 0.840 0.640 CA 1.614 26 residues pruned to eliminate duplicates Z: 28 25.863 2.217 0.534 0.510 0.889 0.815 CB 1.630 28 residues pruned to eliminate duplicates Z: 33 28.998 2.153 0.724 0.487 0.906 0.562 CB 1.544 33 residues pruned to eliminate duplicates Z: 43 45.335 2.186 0.956 0.579 0.976 0.738 CA 1.553 43 residues pruned to eliminate duplicates Z: 25 32.897 2.371 0.808 0.548 0.875 0.667 CA 1.707 25 residues pruned to eliminate duplicates Z: 46 34.712 2.150 0.713 0.529 0.889 0.689 CB 1.537 45 residues pruned to eliminate duplicates Z: 13 19.140 1.951 0.635 0.745 1.000 0.500 CA 1.390 13 residues pruned to eliminate duplicates Z: 61 44.417 2.178 0.739 0.519 0.933 0.650 CB 1.592 60 residues pruned to eliminate duplicates Z: 12 21.301 1.929 0.791 0.899 1.000 0.909 CA 1.329 12 residues pruned to eliminate duplicates Z: 76 45.333 2.124 0.746 0.549 0.893 0.627 CB 1.506 77 residues pruned to eliminate duplicates Z: 12 19.011 1.989 0.616 0.888 1.000 0.818 CA 1.285 12 residues pruned to eliminate duplicates Z: 50 34.976 2.143 0.602 0.531 0.980 0.531 CB 1.441 50 residues pruned to eliminate duplicates Z: 60 31.425 2.036 0.587 0.505 0.881 0.525 CB 1.429 60 residues pruned to eliminate duplicates Z: 39 43.055 2.240 0.812 0.607 0.974 0.658 CA 1.596 39 residues pruned to eliminate duplicates Z: 43 43.986 2.233 0.858 0.589 0.929 0.667 CB 1.619 43 residues pruned to eliminate duplicates Z: 17 25.103 2.087 0.890 0.659 0.938 0.688 CA 1.464 17 residues pruned to eliminate duplicates Z: 19 17.218 1.953 0.777 0.542 0.889 0.500 CB 1.263 19 residues pruned to eliminate duplicates Z: 44 46.153 2.186 0.880 0.585 0.977 0.674 CB 1.617 43 residues pruned to eliminate duplicates Z: 7 4.467 1.319 1.161 0.388 1.000 0.833 CA 0.720 7 residues pruned to eliminate duplicates Z: 45 43.744 2.193 0.835 0.558 0.977 0.636 CB 1.585 45 residues pruned to eliminate duplicates Z: 61 39.976 2.153 0.632 0.527 0.917 0.617 CB 1.561 61 residues pruned to eliminate duplicates Z: 53 41.136 2.138 0.754 0.559 0.962 0.615 CB 1.494 51 residues pruned to eliminate duplicates Z: 7 5.302 1.912 0.321 0.699 0.667 0.333 CB 1.072 7 residues pruned to eliminate duplicates Z: 10 5.442 1.846 0.004 0.488 0.889 0.444 CB 1.114 10 residues pruned to eliminate duplicates Z: 41 21.837 1.834 0.677 0.477 1.000 0.475 CB 1.148 41 residues pruned to eliminate duplicates Z: 13 9.478 1.741 0.536 0.481 0.917 0.667 CB 1.137 13 residues pruned to eliminate duplicates Z: 12 9.388 1.784 0.491 0.423 1.000 0.818 CB 1.153 12 residues pruned to eliminate duplicates Z: 12 12.247 1.758 0.687 0.506 1.000 0.727 CB 1.238 12 residues pruned to eliminate duplicates Z: 16 10.534 1.659 0.584 0.555 0.933 0.533 CB 1.052 15 residues pruned to eliminate duplicates Z: 10 11.362 1.624 0.584 0.690 0.889 0.444 CB 1.392 10 residues pruned to eliminate duplicates 735 residues left after pruning, divided into chains as follows: A: 6 B: 136 C: 26 D: 34 E: 352 F: 150 G: 31 CC for partial structure against native data = 38.50 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.571, Connect. = 0.723 for dens.mod. cycle 1 = 0.300, Contrast = 0.652, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.785, Connect. = 0.779 for dens.mod. cycle 3 = 0.300, Contrast = 0.803, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.819, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.824, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.830, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.832, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.833, 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) 4205 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 977 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 31.370 2.428 0.475 0.916 0.933 0.867 CB 1.711 B: 17 36.470 2.319 0.860 0.875 0.938 0.812 CB 1.640 16 residues pruned to eliminate duplicates C: 13 38.374 2.426 1.100 0.926 1.000 1.000 CB 1.524 D: 14 33.998 2.261 0.921 0.816 1.000 0.615 CA 1.649 E: 16 33.757 2.434 0.620 0.929 0.933 0.933 CB 1.658 16 residues pruned to eliminate duplicates F: 12 26.660 2.240 0.676 0.869 0.909 0.818 CB 1.721 G: 11 22.397 2.179 0.646 0.888 0.900 0.800 CB 1.580 11 residues pruned to eliminate duplicates H: 22 42.963 2.274 0.995 0.833 0.952 0.667 CA 1.627 I: 14 45.548 2.476 1.243 0.912 1.000 0.923 CB 1.612 13 residues pruned to eliminate duplicates J: 18 39.984 2.415 0.785 0.869 0.941 0.824 CB 1.746 17 residues pruned to eliminate duplicates K: 14 37.403 2.183 1.229 0.898 1.000 0.692 CB 1.525 L: 13 36.015 2.364 0.714 0.919 1.000 1.000 CA 1.809 14 residues pruned to eliminate duplicates M: 18 36.243 2.323 0.787 0.852 0.941 0.882 CB 1.665 18 residues pruned to eliminate duplicates N: 13 39.352 2.402 0.985 0.876 0.917 0.667 CA 1.888 O: 13 40.489 2.299 0.951 0.939 1.000 0.833 CA 1.811 13 residues pruned to eliminate duplicates P: 18 41.881 2.404 1.014 0.816 0.941 0.529 CB 1.694 18 residues pruned to eliminate duplicates Q: 12 25.991 2.155 0.949 0.819 0.909 0.636 CA 1.555 12 residues pruned to eliminate duplicates R: 14 32.185 2.336 0.849 0.773 0.923 0.769 CA 1.759 S: 14 37.062 2.261 0.943 0.907 1.000 0.615 CA 1.662 13 residues pruned to eliminate duplicates T: 13 29.913 2.284 0.659 0.931 1.000 0.833 CA 1.592 U: 13 32.076 2.520 0.534 0.937 1.000 0.917 CA 1.667 13 residues pruned to eliminate duplicates V: 18 46.328 2.390 1.084 0.881 0.941 0.588 CB 1.735 18 residues pruned to eliminate duplicates W: 19 35.472 2.195 0.870 0.863 0.944 0.833 CA 1.582 19 residues pruned to eliminate duplicates X: 20 41.941 2.200 1.151 0.773 0.947 0.579 CB 1.686 19 residues pruned to eliminate duplicates Y: 22 40.728 2.195 0.959 0.817 1.000 0.619 CA 1.569 22 residues pruned to eliminate duplicates Z: 67 47.007 2.241 0.750 0.502 0.955 0.727 CB 1.542 Z: 7 5.058 1.494 0.471 0.634 0.833 0.833 C 0.994 Z: 14 32.373 2.328 1.007 0.789 0.923 0.846 CA 1.615 14 residues pruned to eliminate duplicates Z: 13 41.234 2.306 1.003 0.929 1.000 0.750 CA 1.804 13 residues pruned to eliminate duplicates Z: 13 26.195 2.107 0.807 0.883 0.917 0.750 CB 1.566 Z: 8 11.001 2.016 0.682 0.579 0.857 0.571 CA 1.325 Z: 107 75.282 2.228 1.049 0.672 0.877 0.651 CA 1.558 14 residues pruned to eliminate duplicates Z: 14 33.300 2.309 1.057 0.802 0.923 0.615 CB 1.619 14 residues pruned to eliminate duplicates Z: 16 36.640 2.235 1.058 0.899 0.867 0.400 CA 1.696 Z: 39 38.626 2.392 0.927 0.514 0.816 0.474 CB 1.644 22 residues pruned to eliminate duplicates Z: 13 33.336 2.290 0.923 0.821 1.000 0.667 CA 1.654 13 residues pruned to eliminate duplicates Z: 14 36.671 2.191 1.219 0.861 1.000 0.692 CA 1.538 13 residues pruned to eliminate duplicates Z: 13 37.119 2.256 1.099 0.842 1.000 0.750 CA 1.687 13 residues pruned to eliminate duplicates Z: 141 81.717 2.261 0.926 0.616 0.886 0.557 CB 1.605 143 residues pruned to eliminate duplicates Z: 14 29.994 2.237 0.794 0.861 0.923 0.846 CB 1.650 14 residues pruned to eliminate duplicates Z: 14 26.581 2.028 0.985 0.849 0.923 0.769 CA 1.470 Z: 13 29.917 2.234 1.099 0.800 0.917 0.750 CA 1.546 13 residues pruned to eliminate duplicates Z: 6 10.744 2.324 0.150 0.708 1.000 0.400 CB 1.488 8 residues pruned to eliminate duplicates Z: 23 46.522 2.230 1.024 0.842 0.955 0.545 CA 1.715 22 residues pruned to eliminate duplicates Z: 13 25.681 2.084 0.967 0.867 0.833 0.667 CA 1.587 13 residues pruned to eliminate duplicates Z: 14 30.177 2.192 0.695 0.834 1.000 0.923 CB 1.688 15 residues pruned to eliminate duplicates Z: 14 21.346 1.918 0.763 0.786 0.923 0.846 CB 1.475 14 residues pruned to eliminate duplicates Z: 12 40.856 2.359 1.014 0.928 1.000 0.818 CA 1.815 12 residues pruned to eliminate duplicates Z: 13 41.651 2.527 0.928 0.930 1.000 0.583 CA 1.726 13 residues pruned to eliminate duplicates Z: 14 24.898 2.165 0.619 0.807 0.923 0.769 CB 1.633 14 residues pruned to eliminate duplicates Z: 13 21.179 2.298 0.163 0.887 1.000 0.750 CA 1.650 13 residues pruned to eliminate duplicates Z: 13 28.062 2.248 0.671 0.922 1.000 0.750 CA 1.516 13 residues pruned to eliminate duplicates Z: 15 37.083 2.137 1.060 0.853 1.000 0.571 CA 1.664 14 residues pruned to eliminate duplicates Z: 12 37.079 2.269 0.997 0.908 1.000 0.455 CB 1.753 12 residues pruned to eliminate duplicates Z: 21 41.730 2.286 1.037 0.857 0.900 0.650 CA 1.641 21 residues pruned to eliminate duplicates Z: 136 86.336 2.271 0.974 0.638 0.933 0.541 CB 1.560 135 residues pruned to eliminate duplicates Z: 18 32.697 2.237 0.712 0.884 1.000 0.882 CB 1.497 18 residues pruned to eliminate duplicates Z: 121 75.095 2.272 0.908 0.619 0.875 0.642 CA 1.615 104 residues pruned to eliminate duplicates Z: 14 27.953 2.414 0.407 0.937 1.000 1.000 CA 1.589 14 residues pruned to eliminate duplicates Z: 13 33.560 2.312 0.874 0.820 1.000 0.833 CB 1.694 13 residues pruned to eliminate duplicates Z: 13 36.330 2.277 0.867 0.921 1.000 0.667 CA 1.736 13 residues pruned to eliminate duplicates Z: 13 34.281 2.261 0.953 0.842 1.000 0.667 CA 1.671 13 residues pruned to eliminate duplicates Z: 13 29.405 2.226 0.682 0.860 1.000 0.667 CA 1.667 13 residues pruned to eliminate duplicates Z: 122 65.801 2.231 0.865 0.540 0.901 0.587 CB 1.534 99 residues pruned to eliminate duplicates Z: 18 30.469 2.217 1.047 0.675 0.941 0.412 CB 1.472 18 residues pruned to eliminate duplicates Z: 22 40.820 2.269 0.912 0.822 0.952 0.524 CA 1.630 23 residues pruned to eliminate duplicates Z: 13 17.793 2.088 0.556 0.837 1.000 0.667 CA 1.182 13 residues pruned to eliminate duplicates Z: 14 30.577 2.251 0.715 0.882 1.000 0.846 CA 1.590 14 residues pruned to eliminate duplicates Z: 21 42.290 2.281 0.973 0.862 0.950 0.600 CA 1.625 21 residues pruned to eliminate duplicates Z: 13 36.579 2.218 1.060 0.893 1.000 0.667 CA 1.659 13 residues pruned to eliminate duplicates Z: 12 25.447 2.372 0.682 0.864 0.909 0.727 CB 1.551 12 residues pruned to eliminate duplicates Z: 18 33.510 2.187 0.963 0.863 0.882 0.706 CA 1.575 21 residues pruned to eliminate duplicates Z: 13 14.415 2.015 0.420 0.839 0.917 0.833 CA 1.185 13 residues pruned to eliminate duplicates Z: 13 38.988 2.319 1.086 0.874 1.000 0.833 CA 1.693 13 residues pruned to eliminate duplicates Z: 21 42.110 2.246 1.020 0.850 0.950 0.750 CA 1.617 20 residues pruned to eliminate duplicates Z: 14 26.811 2.137 0.857 0.871 0.923 0.692 CB 1.480 14 residues pruned to eliminate duplicates Z: 14 23.413 2.281 0.472 0.825 0.923 0.769 CA 1.581 14 residues pruned to eliminate duplicates Z: 15 26.121 2.142 0.785 0.748 0.929 0.786 CB 1.575 15 residues pruned to eliminate duplicates Z: 119 59.440 2.227 0.695 0.520 0.924 0.610 CB 1.538 84 residues pruned to eliminate duplicates Z: 12 24.043 2.319 0.653 0.807 0.909 0.636 CA 1.592 12 residues pruned to eliminate duplicates Z: 15 13.101 2.251 0.685 0.385 0.714 0.429 CA 1.459 15 residues pruned to eliminate duplicates Z: 15 35.058 2.225 1.075 0.874 1.000 0.714 CA 1.477 14 residues pruned to eliminate duplicates Z: 14 24.436 2.210 0.772 0.805 0.846 0.308 CA 1.567 14 residues pruned to eliminate duplicates Z: 14 12.184 1.920 0.264 0.771 0.923 0.692 CB 1.186 Z: 22 35.085 2.158 0.826 0.844 0.905 0.667 CB 1.598 22 residues pruned to eliminate duplicates Z: 12 26.174 2.125 0.901 0.910 0.909 0.727 CB 1.524 13 residues pruned to eliminate duplicates Z: 8 23.465 2.198 1.221 0.802 0.857 0.571 CB 1.628 9 residues pruned to eliminate duplicates Z: 23 30.991 2.318 0.733 0.535 0.955 0.682 CB 1.665 22 residues pruned to eliminate duplicates Z: 12 25.107 2.098 0.758 0.890 1.000 0.727 CB 1.476 12 residues pruned to eliminate duplicates Z: 12 27.363 2.351 0.604 0.902 1.000 0.909 CA 1.561 12 residues pruned to eliminate duplicates Z: 7 17.284 2.249 0.674 0.662 1.000 0.833 CA 1.612 4 residues pruned to eliminate duplicates Z: 8 7.154 1.715 0.126 0.747 1.000 0.714 CB 1.123 8 residues pruned to eliminate duplicates Z: 7 5.844 1.883 1.183 0.406 0.667 0.333 CB 0.961 7 residues pruned to eliminate duplicates Z: 11 10.569 1.792 0.280 0.827 0.900 0.700 CA 1.220 Z: 92 50.877 2.205 0.920 0.502 0.857 0.451 CB 1.467 93 residues pruned to eliminate duplicates Z: 9 16.221 1.992 0.362 0.857 1.000 0.750 CB 1.557 Z: 14 34.509 2.313 1.131 0.783 0.923 0.769 CB 1.639 14 residues pruned to eliminate duplicates Z: 11 25.971 2.323 0.754 0.907 0.900 0.700 CB 1.593 11 residues pruned to eliminate duplicates Z: 13 14.266 1.910 0.250 0.881 1.000 0.750 CB 1.249 14 residues pruned to eliminate duplicates Z: 13 11.275 1.941 0.361 0.844 1.000 0.917 CA 0.917 13 residues pruned to eliminate duplicates Z: 9 35.668 2.493 1.150 0.911 1.000 0.750 CA 1.668 9 residues pruned to eliminate duplicates Z: 47 35.691 2.163 0.763 0.623 0.870 0.630 CB 1.413 47 residues pruned to eliminate duplicates Z: 21 34.274 2.240 0.859 0.801 0.850 0.600 CA 1.664 21 residues pruned to eliminate duplicates Z: 14 24.204 1.934 0.709 0.933 1.000 0.923 CA 1.417 14 residues pruned to eliminate duplicates Z: 20 32.575 2.048 0.866 0.870 0.947 0.526 CB 1.507 20 residues pruned to eliminate duplicates Z: 12 34.274 2.230 0.966 0.856 1.000 0.818 CA 1.738 12 residues pruned to eliminate duplicates Z: 37 34.764 2.247 0.744 0.668 0.889 0.611 CB 1.424 28 residues pruned to eliminate duplicates Z: 8 18.393 2.029 0.767 0.898 1.000 0.714 CB 1.387 8 residues pruned to eliminate duplicates Z: 22 27.216 2.166 0.617 0.866 0.905 0.714 CA 1.372 22 residues pruned to eliminate duplicates Z: 13 33.243 2.236 1.109 0.844 0.917 0.750 CA 1.652 13 residues pruned to eliminate duplicates Z: 19 19.806 1.903 0.575 0.804 0.889 0.722 CA 1.344 Z: 10 21.631 2.251 0.497 0.873 1.000 0.889 CA 1.558 10 residues pruned to eliminate duplicates Z: 22 34.712 2.146 1.020 0.857 0.857 0.524 CA 1.502 22 residues pruned to eliminate duplicates Z: 77 64.505 2.324 0.804 0.685 0.921 0.605 CB 1.617 73 residues pruned to eliminate duplicates Z: 18 34.216 2.168 0.743 0.856 0.941 0.824 CA 1.720 18 residues pruned to eliminate duplicates Z: 13 35.279 2.243 1.114 0.869 1.000 0.750 CA 1.569 13 residues pruned to eliminate duplicates Z: 18 16.432 2.145 0.072 0.824 0.941 0.765 CA 1.391 18 residues pruned to eliminate duplicates Z: 11 41.974 2.450 1.226 0.930 1.000 0.800 CA 1.702 11 residues pruned to eliminate duplicates Z: 13 33.266 2.249 1.058 0.893 0.917 0.583 CA 1.624 13 residues pruned to eliminate duplicates Z: 6 4.602 1.950 0.225 0.382 0.600 0.600 N 1.628 6 residues pruned to eliminate duplicates Z: 13 28.833 2.392 0.921 0.786 0.833 0.667 CB 1.690 13 residues pruned to eliminate duplicates Z: 21 38.178 2.239 0.924 0.849 0.950 0.550 CA 1.547 21 residues pruned to eliminate duplicates Z: 9 11.278 1.719 0.604 0.511 1.000 0.750 CA 1.430 9 residues pruned to eliminate duplicates Z: 8 8.966 1.962 0.484 0.686 0.714 0.429 CB 1.374 8 residues pruned to eliminate duplicates Z: 21 35.149 2.252 0.720 0.861 0.950 0.650 CA 1.570 21 residues pruned to eliminate duplicates Z: 12 23.980 2.239 0.640 0.894 1.000 0.818 CA 1.412 12 residues pruned to eliminate duplicates Z: 18 18.144 2.127 0.188 0.813 0.941 0.882 CB 1.410 18 residues pruned to eliminate duplicates Z: 11 16.000 2.214 0.472 0.861 0.800 0.700 CA 1.426 11 residues pruned to eliminate duplicates Z: 20 35.720 2.210 0.806 0.894 0.947 0.737 CA 1.555 20 residues pruned to eliminate duplicates Z: 10 14.300 1.858 0.293 0.878 1.000 0.889 CA 1.440 Z: 18 38.128 2.242 0.886 0.887 0.941 0.765 CA 1.676 18 residues pruned to eliminate duplicates Z: 15 28.884 2.114 0.996 0.805 1.000 0.786 CA 1.402 15 residues pruned to eliminate duplicates Z: 12 24.680 2.282 0.661 0.898 0.909 0.727 CB 1.545 12 residues pruned to eliminate duplicates Z: 23 33.920 2.102 0.878 0.850 0.909 0.636 CA 1.492 23 residues pruned to eliminate duplicates Z: 21 36.711 2.297 0.831 0.849 0.950 0.750 CA 1.522 21 residues pruned to eliminate duplicates Z: 11 26.312 2.213 0.991 0.855 0.900 0.800 CB 1.549 11 residues pruned to eliminate duplicates Z: 18 31.459 2.260 0.829 0.827 0.882 0.471 CB 1.577 18 residues pruned to eliminate duplicates Z: 12 23.492 2.062 0.992 0.858 0.909 0.727 CB 1.397 Z: 14 31.950 2.160 0.902 0.838 1.000 0.615 CA 1.611 14 residues pruned to eliminate duplicates Z: 7 7.395 1.946 0.868 0.605 0.833 0.333 CA 0.901 7 residues pruned to eliminate duplicates Z: 13 31.784 2.206 1.029 0.868 1.000 0.917 CA 1.498 13 residues pruned to eliminate duplicates Z: 17 36.794 2.247 1.045 0.847 0.875 0.562 CA 1.698 17 residues pruned to eliminate duplicates Z: 18 22.439 1.985 0.927 0.669 0.824 0.647 CA 1.478 18 residues pruned to eliminate duplicates Z: 19 23.432 2.134 0.895 0.671 0.833 0.444 CB 1.400 19 residues pruned to eliminate duplicates Z: 10 19.564 2.079 0.632 0.901 1.000 0.778 CA 1.373 Z: 10 16.727 1.950 0.460 0.880 1.000 0.444 CA 1.419 10 residues pruned to eliminate duplicates Z: 22 33.155 2.174 0.822 0.827 0.952 0.667 CB 1.445 22 residues pruned to eliminate duplicates Z: 8 7.205 2.028 0.395 0.534 0.857 0.429 CB 1.086 Z: 8 11.443 1.829 0.593 0.703 1.000 0.571 CA 1.234 8 residues pruned to eliminate duplicates Z: 12 21.211 1.923 0.747 0.926 1.000 0.818 CB 1.334 13 residues pruned to eliminate duplicates Z: 14 26.418 2.044 0.865 0.856 1.000 0.769 CA 1.418 14 residues pruned to eliminate duplicates Z: 45 41.156 2.135 0.930 0.569 0.932 0.614 CB 1.512 35 residues pruned to eliminate duplicates Z: 22 31.480 2.152 0.743 0.872 0.857 0.714 CB 1.557 22 residues pruned to eliminate duplicates Z: 11 23.998 2.384 0.576 0.894 0.900 0.800 CA 1.610 11 residues pruned to eliminate duplicates Z: 12 44.688 2.428 1.342 0.908 1.000 0.455 CA 1.684 12 residues pruned to eliminate duplicates Z: 13 18.388 1.785 0.904 0.878 0.917 0.583 CB 1.237 Z: 137 71.902 2.254 0.799 0.626 0.868 0.640 CB 1.557 69 residues pruned to eliminate duplicates Z: 13 35.583 2.282 0.863 0.928 1.000 0.667 CA 1.692 13 residues pruned to eliminate duplicates Z: 20 44.505 2.366 1.062 0.892 0.947 0.684 CA 1.587 20 residues pruned to eliminate duplicates Z: 10 19.442 1.918 0.682 0.888 1.000 0.778 CB 1.448 9 residues pruned to eliminate duplicates Z: 30 16.711 1.841 0.617 0.428 0.862 0.517 CB 1.304 30 residues pruned to eliminate duplicates Z: 18 39.194 2.281 1.004 0.838 0.941 0.353 CA 1.652 18 residues pruned to eliminate duplicates Z: 16 19.671 1.914 0.593 0.816 0.867 0.800 CA 1.460 14 residues pruned to eliminate duplicates Z: 14 16.844 2.092 0.522 0.786 0.923 0.308 CB 1.236 14 residues pruned to eliminate duplicates Z: 12 33.725 2.310 1.043 0.880 1.000 0.818 CA 1.562 12 residues pruned to eliminate duplicates Z: 21 20.980 2.131 0.755 0.547 0.900 0.600 CB 1.331 33 residues pruned to eliminate duplicates Z: 14 21.377 1.901 0.658 0.855 0.923 0.692 CA 1.503 14 residues pruned to eliminate duplicates Z: 21 25.416 2.121 0.733 0.613 1.000 0.750 CA 1.389 Z: 9 15.269 2.010 0.335 0.889 1.000 1.000 CB 1.448 9 residues pruned to eliminate duplicates Z: 15 21.252 2.192 0.619 0.720 0.857 0.786 CA 1.530 15 residues pruned to eliminate duplicates Z: 13 31.092 2.265 0.835 0.922 1.000 0.833 CA 1.519 13 residues pruned to eliminate duplicates Z: 13 37.674 2.376 0.815 0.887 1.000 1.000 CA 1.819 13 residues pruned to eliminate duplicates Z: 13 46.863 2.475 1.359 0.887 1.000 0.750 CB 1.670 13 residues pruned to eliminate duplicates Z: 12 18.585 2.015 0.671 0.850 0.818 0.545 CB 1.506 12 residues pruned to eliminate duplicates Z: 17 43.791 2.475 1.050 0.881 0.938 0.562 CB 1.666 17 residues pruned to eliminate duplicates Z: 14 25.361 2.067 0.638 0.873 0.923 0.769 CA 1.640 14 residues pruned to eliminate duplicates Z: 14 43.045 2.379 1.275 0.868 1.000 0.692 CB 1.613 14 residues pruned to eliminate duplicates Z: 12 21.642 2.046 0.827 0.795 1.000 0.727 CA 1.348 12 residues pruned to eliminate duplicates Z: 8 7.526 1.772 0.167 0.676 0.857 0.571 CA 1.364 8 residues pruned to eliminate duplicates Z: 14 19.882 1.972 0.703 0.833 0.846 0.769 CB 1.456 14 residues pruned to eliminate duplicates Z: 132 90.594 2.279 1.024 0.635 0.931 0.473 CB 1.622 132 residues pruned to eliminate duplicates Z: 66 58.378 2.307 0.796 0.683 0.923 0.523 CB 1.601 37 residues pruned to eliminate duplicates Z: 14 33.766 2.122 1.168 0.879 1.000 0.692 CA 1.476 14 residues pruned to eliminate duplicates Z: 57 31.737 2.073 0.646 0.431 0.929 0.607 CB 1.438 76 residues pruned to eliminate duplicates Z: 133 83.363 2.267 1.034 0.620 0.894 0.523 CB 1.572 133 residues pruned to eliminate duplicates Z: 16 23.347 2.184 0.396 0.888 1.000 0.800 CA 1.425 16 residues pruned to eliminate duplicates Z: 12 14.119 2.026 0.541 0.884 0.818 0.727 CA 1.204 12 residues pruned to eliminate duplicates Z: 11 19.707 2.014 0.470 0.924 1.000 1.000 CA 1.478 9 residues pruned to eliminate duplicates Z: 6 6.368 1.940 0.238 0.823 0.800 0.400 CB 1.121 6 residues pruned to eliminate duplicates Z: 20 14.407 1.845 0.387 0.621 0.947 0.526 CB 1.216 20 residues pruned to eliminate duplicates Z: 31 22.268 1.895 0.873 0.558 0.833 0.500 CB 1.299 10 residues pruned to eliminate duplicates Z: 15 21.232 2.106 0.414 0.861 1.000 0.857 CA 1.400 15 residues pruned to eliminate duplicates Z: 20 34.694 2.247 0.709 0.870 0.947 0.632 CA 1.597 20 residues pruned to eliminate duplicates Z: 13 30.647 2.324 1.072 0.777 0.833 0.417 CA 1.727 13 residues pruned to eliminate duplicates Z: 16 41.544 2.328 1.135 0.909 0.933 0.733 CB 1.641 16 residues pruned to eliminate duplicates Z: 23 32.591 2.171 0.759 0.829 0.955 0.773 CA 1.434 23 residues pruned to eliminate duplicates Z: 11 19.817 2.047 0.619 0.832 1.000 0.800 CA 1.419 11 residues pruned to eliminate duplicates Z: 14 40.488 2.246 1.153 0.881 1.000 0.692 CA 1.682 14 residues pruned to eliminate duplicates Z: 20 40.748 2.190 1.064 0.879 1.000 0.526 CA 1.499 20 residues pruned to eliminate duplicates Z: 18 37.024 2.118 1.170 0.849 0.882 0.529 CA 1.642 18 residues pruned to eliminate duplicates Z: 10 14.407 1.817 0.465 0.883 1.000 0.778 CB 1.305 12 residues pruned to eliminate duplicates Z: 13 29.722 2.220 1.181 0.871 0.917 0.917 CA 1.410 13 residues pruned to eliminate duplicates Z: 12 26.329 2.249 0.787 0.861 0.909 0.727 CA 1.597 12 residues pruned to eliminate duplicates Z: 20 26.278 2.060 0.675 0.843 0.895 0.684 CA 1.453 20 residues pruned to eliminate duplicates Z: 12 30.884 2.239 0.988 0.916 1.000 0.727 CB 1.477 12 residues pruned to eliminate duplicates Z: 7 18.652 2.152 0.921 0.824 0.833 0.667 CA 1.669 7 residues pruned to eliminate duplicates Z: 13 26.973 2.140 0.846 0.845 1.000 0.917 CA 1.465 13 residues pruned to eliminate duplicates Z: 13 16.002 1.800 0.463 0.916 1.000 0.917 CA 1.239 13 residues pruned to eliminate duplicates Z: 10 21.379 2.292 0.710 0.845 1.000 0.889 CA 1.352 10 residues pruned to eliminate duplicates Z: 7 3.308 1.851 0.814 0.247 0.500 0.500 N 1.077 Z: 20 27.917 2.281 0.489 0.855 0.947 0.789 CA 1.468 20 residues pruned to eliminate duplicates Z: 14 26.047 2.172 0.707 0.869 0.923 0.692 CA 1.543 14 residues pruned to eliminate duplicates Z: 60 55.419 2.259 0.747 0.680 0.932 0.610 CB 1.662 60 residues pruned to eliminate duplicates Z: 14 21.904 1.928 0.667 0.848 0.923 0.769 CB 1.519 14 residues pruned to eliminate duplicates Z: 18 27.975 2.289 0.522 0.846 0.941 0.882 CA 1.537 18 residues pruned to eliminate duplicates Z: 12 16.255 2.011 0.712 0.885 0.818 0.636 CB 1.257 12 residues pruned to eliminate duplicates Z: 6 3.959 1.798 0.119 0.307 0.800 0.600 CB 1.364 Z: 135 91.844 2.289 0.998 0.651 0.933 0.567 CB 1.615 135 residues pruned to eliminate duplicates Z: 53 48.753 2.282 0.904 0.586 0.904 0.481 CA 1.585 53 residues pruned to eliminate duplicates Z: 20 35.271 2.310 0.734 0.841 0.947 0.737 CA 1.590 20 residues pruned to eliminate duplicates Z: 12 27.983 2.379 0.710 0.832 0.909 0.727 CA 1.712 12 residues pruned to eliminate duplicates Z: 17 19.769 2.255 0.732 0.424 0.875 0.500 CA 1.565 17 residues pruned to eliminate duplicates Z: 126 85.974 2.289 0.917 0.654 0.920 0.600 CA 1.650 98 residues pruned to eliminate duplicates Z: 12 12.418 1.696 0.327 0.859 1.000 0.727 CB 1.224 Z: 7 8.395 2.008 0.340 0.641 0.833 0.500 CA 1.339 7 residues pruned to eliminate duplicates Z: 13 24.646 2.108 0.671 0.882 1.000 0.750 CB 1.462 13 residues pruned to eliminate duplicates Z: 13 22.428 2.121 0.746 0.743 1.000 0.500 CB 1.406 13 residues pruned to eliminate duplicates Z: 76 79.551 2.391 0.994 0.727 0.920 0.693 CA 1.706 76 residues pruned to eliminate duplicates Z: 7 2.828 1.322 -0.053 0.722 0.833 0.833 CA 0.906 Z: 13 39.834 2.359 1.068 0.880 1.000 0.833 CB 1.709 14 residues pruned to eliminate duplicates Z: 12 24.694 2.207 0.632 0.834 1.000 0.636 CB 1.550 Z: 12 18.202 1.826 0.555 0.880 0.909 0.636 CA 1.540 12 residues pruned to eliminate duplicates Z: 13 30.835 2.186 1.122 0.875 0.917 0.667 CB 1.523 13 residues pruned to eliminate duplicates Z: 10 13.190 1.851 0.395 0.834 1.000 0.778 CB 1.276 10 residues pruned to eliminate duplicates Z: 21 27.842 2.231 0.668 0.635 0.900 0.650 CA 1.638 21 residues pruned to eliminate duplicates Z: 54 37.069 2.219 0.880 0.594 0.811 0.453 CB 1.375 54 residues pruned to eliminate duplicates Z: 11 21.775 2.179 0.639 0.847 1.000 0.600 CB 1.431 11 residues pruned to eliminate duplicates Z: 51 25.701 2.070 0.614 0.375 0.860 0.480 CB 1.445 80 residues pruned to eliminate duplicates Z: 20 34.966 2.077 0.840 0.867 0.947 0.263 CA 1.620 20 residues pruned to eliminate duplicates Z: 12 23.643 2.209 0.794 0.904 0.909 0.818 CB 1.410 12 residues pruned to eliminate duplicates Z: 21 34.197 2.118 0.845 0.845 0.950 0.500 CA 1.531 21 residues pruned to eliminate duplicates Z: 12 17.963 1.891 0.548 0.909 1.000 0.727 CA 1.313 12 residues pruned to eliminate duplicates Z: 15 24.826 2.033 0.885 0.773 0.929 0.714 CA 1.464 15 residues pruned to eliminate duplicates Z: 19 23.066 1.831 0.614 0.846 1.000 0.778 CA 1.367 Z: 14 14.386 1.962 0.444 0.889 0.923 0.769 CA 1.098 14 residues pruned to eliminate duplicates Z: 131 87.780 2.270 0.904 0.651 0.946 0.631 CA 1.636 150 residues pruned to eliminate duplicates Z: 18 25.107 2.163 0.492 0.819 0.941 0.824 CA 1.520 18 residues pruned to eliminate duplicates Z: 7 2.524 1.680 -0.276 0.629 0.833 0.500 CB 0.901 Z: 20 39.858 2.193 1.130 0.859 0.895 0.421 CA 1.609 20 residues pruned to eliminate duplicates Z: 11 25.571 2.213 0.829 0.865 1.000 0.900 CA 1.464 12 residues pruned to eliminate duplicates Z: 12 20.288 2.025 0.724 0.838 1.000 0.818 CA 1.309 12 residues pruned to eliminate duplicates Z: 58 59.400 2.224 0.896 0.736 0.965 0.702 CA 1.565 58 residues pruned to eliminate duplicates Z: 11 22.865 2.065 0.773 0.878 1.000 0.700 CA 1.433 11 residues pruned to eliminate duplicates Z: 20 35.629 2.281 0.920 0.882 0.895 0.632 CA 1.509 20 residues pruned to eliminate duplicates Z: 14 30.788 2.187 0.871 0.876 0.923 0.846 CA 1.643 14 residues pruned to eliminate duplicates Z: 11 24.273 2.254 0.686 0.857 1.000 0.900 CA 1.488 11 residues pruned to eliminate duplicates Z: 21 36.882 2.222 0.876 0.866 0.900 0.800 CA 1.608 21 residues pruned to eliminate duplicates Z: 9 16.650 2.082 0.373 0.857 1.000 0.625 CB 1.517 9 residues pruned to eliminate duplicates Z: 6 8.823 2.081 0.689 0.665 0.800 0.800 CB 1.204 Z: 12 25.508 2.027 0.978 0.908 0.909 0.818 CA 1.499 12 residues pruned to eliminate duplicates Z: 15 21.138 1.953 0.599 0.913 0.929 0.714 CB 1.379 Z: 13 34.246 2.227 1.039 0.889 0.917 0.667 CA 1.710 13 residues pruned to eliminate duplicates Z: 11 11.408 2.004 -0.098 0.897 1.000 0.900 CB 1.429 11 residues pruned to eliminate duplicates Z: 122 66.946 2.248 0.786 0.534 0.917 0.603 CA 1.598 122 residues pruned to eliminate duplicates Z: 13 29.030 2.097 0.975 0.910 1.000 0.833 CA 1.435 13 residues pruned to eliminate duplicates Z: 15 25.563 2.183 0.652 0.767 1.000 0.857 CA 1.495 15 residues pruned to eliminate duplicates Z: 94 74.665 2.267 0.971 0.686 0.903 0.559 CA 1.618 94 residues pruned to eliminate duplicates Z: 13 22.070 2.041 0.662 0.891 0.917 0.750 CA 1.473 13 residues pruned to eliminate duplicates Z: 18 21.462 2.160 0.188 0.900 1.000 0.882 CA 1.449 18 residues pruned to eliminate duplicates Z: 11 25.692 2.126 1.156 0.875 1.000 0.500 CB 1.289 11 residues pruned to eliminate duplicates Z: 12 11.859 1.918 0.159 0.847 1.000 0.545 CB 1.194 12 residues pruned to eliminate duplicates Z: 11 11.368 1.868 0.353 0.827 0.900 0.800 CA 1.192 11 residues pruned to eliminate duplicates Z: 10 14.385 1.958 0.374 0.832 1.000 0.778 CA 1.338 10 residues pruned to eliminate duplicates Z: 14 17.249 1.988 0.277 0.911 1.000 0.692 CA 1.336 14 residues pruned to eliminate duplicates Z: 14 26.899 2.159 0.959 0.862 0.923 0.615 CB 1.402 14 residues pruned to eliminate duplicates Z: 11 25.374 2.212 0.734 0.862 1.000 0.700 CB 1.535 11 residues pruned to eliminate duplicates Z: 19 38.560 2.282 1.219 0.813 0.889 0.611 CB 1.539 19 residues pruned to eliminate duplicates Z: 15 25.788 2.096 0.742 0.800 1.000 0.714 CB 1.453 15 residues pruned to eliminate duplicates Z: 14 23.282 2.129 0.744 0.771 0.923 0.692 CA 1.482 14 residues pruned to eliminate duplicates Z: 45 35.877 2.123 0.826 0.570 0.886 0.591 CB 1.471 45 residues pruned to eliminate duplicates Z: 21 18.699 1.845 0.423 0.820 0.900 0.800 CA 1.341 21 residues pruned to eliminate duplicates Z: 8 7.555 1.796 0.539 0.647 0.857 0.571 CA 1.050 8 residues pruned to eliminate duplicates Z: 20 35.313 2.237 0.723 0.883 1.000 0.842 CA 1.519 20 residues pruned to eliminate duplicates Z: 18 22.760 1.910 0.595 0.872 1.000 0.765 CB 1.321 Z: 17 7.892 1.843 0.419 0.347 0.812 0.562 CB 1.097 Z: 6 4.371 1.914 0.545 0.718 1.000 0.800 CB 0.543 Z: 13 30.066 2.103 0.751 0.934 1.000 1.000 CA 1.644 13 residues pruned to eliminate duplicates Z: 132 78.395 2.226 0.847 0.627 0.908 0.534 CA 1.628 150 residues pruned to eliminate duplicates Z: 17 29.702 2.137 0.897 0.905 0.938 0.750 CA 1.391 17 residues pruned to eliminate duplicates Z: 17 37.553 2.146 1.142 0.859 1.000 0.562 CA 1.503 17 residues pruned to eliminate duplicates Z: 12 24.091 1.972 1.147 0.844 0.818 0.545 CA 1.560 12 residues pruned to eliminate duplicates Z: 19 34.545 2.163 0.805 0.878 1.000 0.667 CB 1.514 19 residues pruned to eliminate duplicates Z: 46 27.687 1.993 0.886 0.487 0.778 0.289 CB 1.431 46 residues pruned to eliminate duplicates Z: 22 30.955 2.129 0.692 0.824 0.952 0.667 CA 1.487 22 residues pruned to eliminate duplicates Z: 18 39.301 2.334 0.905 0.865 0.941 0.824 CB 1.668 18 residues pruned to eliminate duplicates Z: 23 38.661 2.187 0.798 0.856 1.000 0.682 CA 1.546 23 residues pruned to eliminate duplicates Z: 15 27.112 2.133 0.917 0.814 0.929 0.786 CB 1.453 15 residues pruned to eliminate duplicates Z: 12 15.308 1.904 0.307 0.780 1.000 0.727 CA 1.449 12 residues pruned to eliminate duplicates Z: 70 52.892 2.256 0.760 0.629 0.913 0.565 CB 1.555 70 residues pruned to eliminate duplicates Z: 21 38.759 2.270 0.848 0.890 0.850 0.600 CA 1.748 21 residues pruned to eliminate duplicates Z: 19 30.788 2.174 0.627 0.905 1.000 0.833 CA 1.460 19 residues pruned to eliminate duplicates Z: 66 28.254 1.966 0.528 0.494 0.877 0.662 CB 1.339 54 residues pruned to eliminate duplicates Z: 19 22.190 1.832 0.677 0.902 0.889 0.667 CB 1.365 21 residues pruned to eliminate duplicates Z: 22 39.191 2.219 0.907 0.861 0.905 0.714 CA 1.641 22 residues pruned to eliminate duplicates Z: 12 31.931 2.309 0.957 0.883 1.000 0.909 CA 1.540 12 residues pruned to eliminate duplicates Z: 13 3.934 1.933 0.451 0.158 0.500 0.250 CB 1.231 13 residues pruned to eliminate duplicates Z: 22 22.088 1.994 0.806 0.608 0.905 0.667 CB 1.335 17 residues pruned to eliminate duplicates Z: 8 10.834 1.945 0.816 0.506 0.857 0.429 CB 1.344 8 residues pruned to eliminate duplicates Z: 83 72.135 2.263 0.961 0.681 0.902 0.598 CB 1.685 83 residues pruned to eliminate duplicates Z: 69 46.118 2.200 0.678 0.488 0.971 0.647 CB 1.580 69 residues pruned to eliminate duplicates Z: 10 13.586 1.960 0.260 0.912 1.000 0.889 CA 1.299 10 residues pruned to eliminate duplicates Z: 10 25.048 2.047 1.018 0.920 1.000 0.778 CB 1.424 16 residues pruned to eliminate duplicates Z: 14 31.363 2.083 0.953 0.904 1.000 0.538 CB 1.523 14 residues pruned to eliminate duplicates Z: 151 73.618 2.265 0.781 0.593 0.880 0.613 CA 1.549 151 residues pruned to eliminate duplicates Z: 11 14.718 1.809 0.606 0.787 1.000 0.500 CA 1.245 11 residues pruned to eliminate duplicates Z: 20 39.281 2.093 1.140 0.888 0.947 0.474 CB 1.530 20 residues pruned to eliminate duplicates Z: 10 16.016 1.929 0.559 0.896 1.000 1.000 CB 1.272 Z: 6 9.854 2.081 0.387 0.821 0.800 0.800 CA 1.445 6 residues pruned to eliminate duplicates Z: 19 18.755 1.876 0.713 0.785 0.833 0.611 CB 1.284 19 residues pruned to eliminate duplicates Z: 15 18.923 1.863 0.601 0.922 1.000 0.714 CB 1.193 15 residues pruned to eliminate duplicates Z: 11 33.005 2.324 1.064 0.912 1.000 0.300 CB 1.541 Z: 10 16.910 1.977 0.486 0.862 1.000 0.778 CB 1.409 10 residues pruned to eliminate duplicates Z: 15 13.246 1.940 0.498 0.462 0.857 0.429 CB 1.478 15 residues pruned to eliminate duplicates Z: 21 27.674 2.187 0.490 0.869 1.000 0.850 CA 1.387 21 residues pruned to eliminate duplicates Z: 59 52.915 2.195 0.911 0.641 0.879 0.621 CB 1.651 59 residues pruned to eliminate duplicates Z: 104 84.010 2.285 1.002 0.692 0.922 0.544 CA 1.646 104 residues pruned to eliminate duplicates Z: 19 18.327 1.723 0.768 0.834 0.944 0.500 CB 1.125 15 residues pruned to eliminate duplicates Z: 13 23.365 1.947 0.983 0.881 1.000 0.750 CA 1.265 13 residues pruned to eliminate duplicates Z: 16 22.920 1.853 0.749 0.901 1.000 0.600 CA 1.303 16 residues pruned to eliminate duplicates Z: 14 29.413 2.391 0.896 0.850 1.000 0.769 CB 1.333 14 residues pruned to eliminate duplicates Z: 15 19.356 2.277 1.144 0.503 0.643 0.500 CA 1.643 15 residues pruned to eliminate duplicates Z: 13 14.374 1.859 0.460 0.841 0.833 0.667 CB 1.368 13 residues pruned to eliminate duplicates Z: 10 14.453 1.865 0.422 0.855 1.000 0.667 CB 1.340 10 residues pruned to eliminate duplicates Z: 15 31.081 2.100 1.241 0.807 0.857 0.143 CA 1.576 15 residues pruned to eliminate duplicates Z: 41 32.002 2.226 0.659 0.555 0.875 0.550 CB 1.485 41 residues pruned to eliminate duplicates Z: 21 39.266 2.257 0.784 0.871 0.950 0.750 CA 1.675 21 residues pruned to eliminate duplicates Z: 18 27.451 2.272 0.504 0.844 0.941 0.529 CB 1.541 18 residues pruned to eliminate duplicates Z: 14 21.231 2.066 0.455 0.913 1.000 0.692 CA 1.386 14 residues pruned to eliminate duplicates Z: 92 52.428 2.228 0.735 0.475 0.912 0.615 CB 1.598 103 residues pruned to eliminate duplicates Z: 14 29.727 2.283 1.047 0.820 0.923 0.462 CB 1.448 14 residues pruned to eliminate duplicates Z: 18 28.130 1.925 0.849 0.855 1.000 0.706 CA 1.415 Z: 17 17.360 1.811 0.664 0.883 0.938 0.688 CA 1.111 17 residues pruned to eliminate duplicates Z: 14 25.248 2.194 0.477 0.849 1.000 0.923 CA 1.602 14 residues pruned to eliminate duplicates Z: 14 16.592 2.139 0.335 0.645 0.923 0.615 CB 1.525 14 residues pruned to eliminate duplicates Z: 6 7.087 1.903 0.236 0.767 1.000 0.800 CA 1.064 6 residues pruned to eliminate duplicates Z: 12 21.938 1.827 0.701 0.878 1.000 0.818 CA 1.545 12 residues pruned to eliminate duplicates Z: 14 36.186 2.248 0.990 0.898 1.000 0.769 CA 1.604 14 residues pruned to eliminate duplicates Z: 44 28.182 2.144 0.753 0.529 0.837 0.488 CB 1.328 44 residues pruned to eliminate duplicates Z: 15 27.587 2.210 0.898 0.904 0.857 0.500 CA 1.460 15 residues pruned to eliminate duplicates Z: 14 34.640 2.468 0.735 0.938 1.000 0.923 CB 1.560 14 residues pruned to eliminate duplicates Z: 15 20.530 1.856 0.728 0.814 1.000 0.857 CA 1.302 16 residues pruned to eliminate duplicates Z: 13 24.436 2.186 0.786 0.773 1.000 0.833 CA 1.419 13 residues pruned to eliminate duplicates Z: 12 15.198 1.847 0.643 0.917 1.000 0.909 CB 1.066 10 residues pruned to eliminate duplicates Z: 18 31.671 2.270 1.075 0.739 0.765 0.706 CB 1.721 18 residues pruned to eliminate duplicates Z: 8 16.374 2.183 0.271 0.882 1.000 0.714 CB 1.614 8 residues pruned to eliminate duplicates Z: 13 30.750 2.149 0.740 0.911 1.000 0.917 CA 1.683 13 residues pruned to eliminate duplicates Z: 23 17.626 2.019 0.777 0.407 0.818 0.455 CB 1.412 23 residues pruned to eliminate duplicates Z: 34 23.471 2.108 0.843 0.427 0.879 0.576 CB 1.291 34 residues pruned to eliminate duplicates Z: 93 62.886 2.273 0.803 0.634 0.902 0.576 CB 1.564 93 residues pruned to eliminate duplicates Z: 7 8.496 1.487 1.023 0.562 1.000 0.833 CA 1.086 Z: 10 22.183 1.988 0.977 0.898 1.000 0.667 CB 1.346 10 residues pruned to eliminate duplicates Z: 10 25.607 2.219 0.808 0.904 1.000 0.778 CA 1.515 10 residues pruned to eliminate duplicates Z: 9 3.683 1.600 0.242 0.186 0.875 0.375 N 1.091 4 residues pruned to eliminate duplicates Z: 8 4.405 1.780 0.126 0.687 0.571 0.429 CB 1.225 8 residues pruned to eliminate duplicates Z: 13 16.159 2.053 0.392 0.825 0.917 0.750 CB 1.344 13 residues pruned to eliminate duplicates Z: 42 39.859 2.143 0.850 0.623 0.878 0.585 CB 1.593 42 residues pruned to eliminate duplicates Z: 14 33.529 2.208 0.874 0.863 1.000 0.923 CA 1.650 14 residues pruned to eliminate duplicates Z: 26 45.779 2.253 1.137 0.693 0.960 0.640 CB 1.661 26 residues pruned to eliminate duplicates Z: 67 29.951 1.944 0.580 0.525 0.924 0.667 CB 1.267 68 residues pruned to eliminate duplicates Z: 23 16.387 2.161 0.488 0.367 0.818 0.500 CA 1.531 23 residues pruned to eliminate duplicates Z: 128 81.721 2.274 0.974 0.602 0.913 0.638 CA 1.605 128 residues pruned to eliminate duplicates Z: 7 4.955 1.807 0.114 0.377 0.833 0.333 CB 1.376 7 residues pruned to eliminate duplicates Z: 6 6.542 1.767 0.110 0.621 1.000 0.400 N 1.332 Z: 7 9.162 1.753 0.406 0.671 1.000 0.500 CA 1.297 7 residues pruned to eliminate duplicates Z: 15 17.861 2.182 0.459 0.755 0.929 0.857 CA 1.287 15 residues pruned to eliminate duplicates Z: 45 26.419 2.140 0.700 0.488 0.795 0.523 CB 1.393 45 residues pruned to eliminate duplicates Z: 94 74.000 2.275 0.815 0.701 0.957 0.699 CB 1.618 94 residues pruned to eliminate duplicates Z: 13 30.269 2.185 0.769 0.911 1.000 0.833 CA 1.602 13 residues pruned to eliminate duplicates Z: 16 17.905 1.950 0.329 0.873 1.000 0.933 CA 1.299 16 residues pruned to eliminate duplicates Z: 14 38.723 2.480 0.911 0.912 1.000 0.846 CA 1.605 14 residues pruned to eliminate duplicates Z: 59 55.038 2.257 0.792 0.680 0.931 0.655 CA 1.627 59 residues pruned to eliminate duplicates Z: 8 4.030 1.620 0.385 0.307 0.714 0.286 CB 1.177 8 residues pruned to eliminate duplicates Z: 8 12.535 1.894 0.403 0.758 1.000 0.571 CB 1.417 8 residues pruned to eliminate duplicates Z: 15 17.707 1.913 0.411 0.942 1.000 0.786 CA 1.216 15 residues pruned to eliminate duplicates Z: 13 8.516 1.787 0.724 0.338 0.833 0.500 CB 1.143 13 residues pruned to eliminate duplicates Z: 10 15.565 1.902 0.687 0.729 0.889 0.778 CA 1.480 10 residues pruned to eliminate duplicates Z: 109 78.158 2.284 0.922 0.679 0.926 0.611 CA 1.570 109 residues pruned to eliminate duplicates Z: 46 31.470 2.104 0.808 0.433 0.889 0.556 CB 1.487 49 residues pruned to eliminate duplicates Z: 14 16.769 1.969 0.486 0.822 0.923 0.846 CA 1.302 14 residues pruned to eliminate duplicates Z: 20 23.388 2.170 0.586 0.870 0.947 0.895 CA 1.202 20 residues pruned to eliminate duplicates Z: 9 16.112 2.056 0.514 0.849 0.875 0.750 CB 1.550 9 residues pruned to eliminate duplicates Z: 11 11.488 1.786 0.446 0.804 0.900 0.800 CB 1.199 11 residues pruned to eliminate duplicates Z: 11 18.063 1.976 0.655 0.880 1.000 0.600 CA 1.265 11 residues pruned to eliminate duplicates Z: 16 18.252 1.879 0.341 0.869 1.000 0.867 CA 1.366 16 residues pruned to eliminate duplicates Z: 11 29.664 2.338 0.970 0.912 0.900 0.700 CB 1.603 11 residues pruned to eliminate duplicates Z: 6 4.841 1.386 0.833 0.749 1.000 0.800 CB 0.683 6 residues pruned to eliminate duplicates Z: 12 18.395 2.058 0.831 0.846 0.909 0.818 CB 1.203 12 residues pruned to eliminate duplicates Z: 13 15.678 1.985 0.168 0.845 1.000 0.500 CB 1.452 13 residues pruned to eliminate duplicates Z: 13 22.762 2.182 0.601 0.903 1.000 1.000 CA 1.341 13 residues pruned to eliminate duplicates Z: 66 37.284 2.076 0.610 0.490 0.985 0.600 CB 1.418 66 residues pruned to eliminate duplicates Z: 9 8.370 1.541 0.272 0.745 1.000 0.625 CA 1.213 9 residues pruned to eliminate duplicates Z: 10 16.557 1.930 0.481 0.854 1.000 0.556 CB 1.426 10 residues pruned to eliminate duplicates Z: 108 81.276 2.346 0.912 0.658 0.944 0.682 CA 1.603 108 residues pruned to eliminate duplicates Z: 71 46.673 2.136 0.953 0.493 0.900 0.629 CB 1.496 69 residues pruned to eliminate duplicates Z: 17 32.524 2.078 0.962 0.836 0.938 0.500 CB 1.592 17 residues pruned to eliminate duplicates Z: 17 20.651 1.824 0.712 0.830 0.938 0.625 CB 1.325 17 residues pruned to eliminate duplicates Z: 17 23.774 1.965 0.553 0.887 1.000 0.875 CA 1.404 17 residues pruned to eliminate duplicates Z: 14 23.013 1.847 0.974 0.799 1.000 0.615 CA 1.347 14 residues pruned to eliminate duplicates Z: 11 21.825 2.143 0.693 0.870 1.000 0.900 CA 1.389 11 residues pruned to eliminate duplicates Z: 11 10.695 1.782 0.397 0.887 1.000 1.000 CB 0.980 11 residues pruned to eliminate duplicates Z: 7 6.880 1.788 0.027 0.816 1.000 0.667 CA 1.162 7 residues pruned to eliminate duplicates Z: 31 15.774 1.926 0.413 0.405 0.867 0.567 CB 1.350 31 residues pruned to eliminate duplicates Z: 7 10.080 1.847 0.195 0.773 1.000 0.667 CB 1.463 Z: 13 17.619 2.121 0.596 0.757 0.917 0.667 CA 1.305 13 residues pruned to eliminate duplicates Z: 32 18.397 1.828 0.583 0.614 0.839 0.452 CB 1.222 19 residues pruned to eliminate duplicates Z: 11 20.487 2.003 0.687 0.880 1.000 1.000 CA 1.389 11 residues pruned to eliminate duplicates Z: 16 14.911 1.838 0.380 0.895 1.000 0.867 CA 1.088 16 residues pruned to eliminate duplicates Z: 9 2.665 1.538 0.550 0.328 0.500 0.375 CB 0.954 Z: 59 38.289 2.114 0.723 0.489 0.914 0.586 CA 1.528 59 residues pruned to eliminate duplicates Z: 19 33.849 2.244 0.952 0.873 0.889 0.611 CA 1.493 19 residues pruned to eliminate duplicates Z: 8 4.535 1.804 0.153 0.250 0.857 0.571 N 1.283 Z: 7 4.746 1.779 0.307 0.729 0.667 0.500 CB 1.017 7 residues pruned to eliminate duplicates Z: 168 86.687 2.247 0.830 0.602 0.934 0.623 CB 1.585 168 residues pruned to eliminate duplicates Z: 31 31.834 2.209 0.864 0.502 0.933 0.567 CA 1.509 31 residues pruned to eliminate duplicates Z: 8 6.031 1.656 0.701 0.331 0.857 0.429 N 1.136 11 residues pruned to eliminate duplicates Z: 7 6.345 1.752 0.164 0.808 0.833 0.667 CB 1.165 7 residues pruned to eliminate duplicates Z: 19 18.894 1.926 0.655 0.832 0.778 0.500 CB 1.349 19 residues pruned to eliminate duplicates Z: 19 26.691 1.949 0.701 0.883 1.000 0.611 CA 1.372 17 residues pruned to eliminate duplicates Z: 90 32.056 1.906 0.501 0.596 0.843 0.528 CB 1.285 73 residues pruned to eliminate duplicates Z: 6 7.014 1.843 0.350 0.811 0.800 0.800 CB 1.202 6 residues pruned to eliminate duplicates Z: 32 24.928 1.942 0.640 0.619 0.935 0.581 CB 1.343 32 residues pruned to eliminate duplicates Z: 9 17.202 1.932 0.839 0.904 1.000 0.875 CB 1.219 9 residues pruned to eliminate duplicates Z: 12 16.555 1.909 0.553 0.915 0.909 0.818 CA 1.309 12 residues pruned to eliminate duplicates Z: 8 9.959 1.854 0.546 0.565 0.857 0.571 CA 1.438 8 residues pruned to eliminate duplicates Z: 12 26.225 2.093 0.769 0.860 1.000 0.727 CB 1.570 12 residues pruned to eliminate duplicates Z: 10 20.658 2.193 0.518 0.899 1.000 0.556 CB 1.479 10 residues pruned to eliminate duplicates Z: 7 5.987 1.580 0.337 0.699 1.000 0.833 CA 0.965 7 residues pruned to eliminate duplicates Z: 59 46.345 2.220 0.703 0.548 0.983 0.534 CB 1.562 61 residues pruned to eliminate duplicates Z: 6 9.672 1.794 0.353 0.787 1.000 0.800 CB 1.385 6 residues pruned to eliminate duplicates Z: 52 44.067 2.206 0.930 0.508 0.882 0.529 CB 1.630 52 residues pruned to eliminate duplicates Z: 100 58.959 2.216 0.911 0.500 0.889 0.556 CB 1.574 100 residues pruned to eliminate duplicates Z: 12 13.380 2.095 0.096 0.802 0.909 0.727 CB 1.485 12 residues pruned to eliminate duplicates Z: 13 21.391 1.949 0.764 0.922 0.917 0.833 CA 1.378 13 residues pruned to eliminate duplicates Z: 108 72.460 2.189 1.020 0.641 0.897 0.551 CB 1.548 108 residues pruned to eliminate duplicates Z: 12 17.638 1.993 0.570 0.864 0.909 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 34 22.060 2.003 0.698 0.444 0.879 0.606 CA 1.361 34 residues pruned to eliminate duplicates Z: 10 22.583 1.917 0.815 0.911 1.000 0.778 CB 1.534 10 residues pruned to eliminate duplicates Z: 132 73.255 2.248 0.859 0.599 0.908 0.565 CB 1.535 89 residues pruned to eliminate duplicates Z: 6 13.820 2.241 0.380 0.795 1.000 0.800 CB 1.544 6 residues pruned to eliminate duplicates Z: 10 17.756 1.962 0.889 0.845 1.000 0.778 CB 1.187 10 residues pruned to eliminate duplicates Z: 10 9.272 1.759 0.055 0.886 0.889 0.889 CA 1.352 10 residues pruned to eliminate duplicates Z: 12 6.513 1.833 1.116 0.315 0.818 0.545 CB 0.759 12 residues pruned to eliminate duplicates Z: 11 17.186 1.900 0.601 0.901 1.000 0.900 CB 1.276 11 residues pruned to eliminate duplicates Z: 10 11.258 1.750 1.024 0.349 0.889 0.444 CB 1.404 Z: 14 22.483 2.017 0.653 0.903 0.923 0.846 CA 1.443 14 residues pruned to eliminate duplicates Z: 50 54.794 2.307 0.894 0.681 0.918 0.592 CA 1.652 50 residues pruned to eliminate duplicates Z: 22 29.563 2.194 0.550 0.835 0.952 0.714 CA 1.492 22 residues pruned to eliminate duplicates Z: 25 28.344 2.189 0.714 0.552 0.875 0.500 CB 1.676 25 residues pruned to eliminate duplicates Z: 11 14.258 1.707 0.944 0.851 1.000 1.000 CB 1.005 11 residues pruned to eliminate duplicates Z: 12 18.892 1.959 0.496 0.917 1.000 0.727 CB 1.372 12 residues pruned to eliminate duplicates Z: 10 26.425 1.956 0.982 0.914 1.000 1.000 CA 1.607 10 residues pruned to eliminate duplicates Z: 18 43.740 2.339 1.501 0.877 0.882 0.471 CB 1.492 18 residues pruned to eliminate duplicates Z: 11 19.306 1.921 0.785 0.909 1.000 0.500 CA 1.264 11 residues pruned to eliminate duplicates Z: 109 76.444 2.268 0.914 0.663 0.917 0.657 CA 1.589 126 residues pruned to eliminate duplicates Z: 13 13.203 1.730 0.559 0.861 1.000 0.750 CB 1.038 13 residues pruned to eliminate duplicates Z: 31 22.401 1.954 0.778 0.590 0.800 0.467 CB 1.350 31 residues pruned to eliminate duplicates Z: 64 29.708 1.945 0.614 0.538 0.905 0.571 CB 1.270 64 residues pruned to eliminate duplicates Z: 7 2.983 1.730 0.144 0.461 0.667 0.333 CB 0.960 Z: 13 21.690 1.873 0.978 0.897 0.917 0.833 CA 1.319 13 residues pruned to eliminate duplicates Z: 14 37.845 2.185 1.277 0.912 1.000 0.231 CB 1.494 14 residues pruned to eliminate duplicates Z: 6 14.700 1.862 1.305 0.682 1.000 0.800 CB 1.296 6 residues pruned to eliminate duplicates Z: 106 62.292 2.230 0.769 0.614 0.876 0.590 CA 1.578 106 residues pruned to eliminate duplicates Z: 13 31.725 2.336 0.822 0.877 1.000 0.583 CA 1.563 13 residues pruned to eliminate duplicates Z: 15 15.620 1.886 0.142 0.939 1.000 1.000 CA 1.347 15 residues pruned to eliminate duplicates Z: 6 8.059 1.721 1.124 0.352 1.000 0.400 CB 1.157 Z: 19 29.515 2.165 0.733 0.923 0.944 0.944 CA 1.380 19 residues pruned to eliminate duplicates Z: 9 6.105 1.859 0.484 0.295 0.750 0.375 CB 1.313 Z: 6 9.104 1.906 1.134 0.651 1.000 0.800 CA 0.870 6 residues pruned to eliminate duplicates Z: 14 15.499 1.921 0.412 0.780 0.923 0.769 CA 1.341 Z: 15 20.459 2.070 0.598 0.803 0.929 0.714 CB 1.367 15 residues pruned to eliminate duplicates Z: 8 12.114 2.101 0.277 0.836 0.857 0.571 CB 1.490 8 residues pruned to eliminate duplicates Z: 11 12.986 1.845 0.593 0.819 0.900 0.500 CA 1.177 11 residues pruned to eliminate duplicates Z: 7 7.484 1.694 0.774 0.601 0.833 0.667 CA 1.107 Z: 131 77.337 2.228 0.916 0.628 0.900 0.608 CB 1.565 139 residues pruned to eliminate duplicates Z: 8 6.569 1.585 1.027 0.788 0.714 0.571 CB 0.840 Z: 10 11.724 1.815 0.258 0.876 1.000 0.778 CB 1.244 17 residues pruned to eliminate duplicates Z: 11 18.716 1.859 0.579 0.917 1.000 0.800 CB 1.423 11 residues pruned to eliminate duplicates Z: 12 19.543 1.977 0.528 0.919 1.000 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 16 16.586 2.043 0.597 0.657 0.867 0.800 CA 1.309 16 residues pruned to eliminate duplicates Z: 17 29.558 1.976 0.988 0.844 1.000 0.312 CB 1.400 13 residues pruned to eliminate duplicates Z: 21 39.095 2.253 0.906 0.881 0.900 0.450 CA 1.639 21 residues pruned to eliminate duplicates Z: 47 41.862 2.152 0.776 0.677 0.891 0.522 CB 1.540 47 residues pruned to eliminate duplicates Z: 20 24.985 2.290 0.611 0.565 0.842 0.579 CB 1.732 20 residues pruned to eliminate duplicates Z: 183 95.698 2.262 0.896 0.602 0.912 0.522 CA 1.645 183 residues pruned to eliminate duplicates Z: 9 14.011 2.018 0.398 0.819 1.000 0.625 CB 1.331 9 residues pruned to eliminate duplicates Z: 67 43.640 2.188 0.745 0.516 0.924 0.576 CB 1.498 67 residues pruned to eliminate duplicates Z: 13 16.436 1.858 0.703 0.901 0.917 0.583 CB 1.168 13 residues pruned to eliminate duplicates Z: 46 47.145 2.270 0.926 0.563 0.933 0.622 CA 1.620 46 residues pruned to eliminate duplicates Z: 30 36.342 2.342 0.966 0.606 0.828 0.517 CB 1.600 30 residues pruned to eliminate duplicates Z: 20 17.943 1.867 0.469 0.633 0.947 0.526 CB 1.397 20 residues pruned to eliminate duplicates Z: 18 20.766 2.096 1.034 0.658 0.765 0.235 CB 1.335 18 residues pruned to eliminate duplicates Z: 19 32.670 2.168 0.748 0.893 0.889 0.556 CB 1.641 19 residues pruned to eliminate duplicates Z: 38 25.878 1.820 0.708 0.653 0.946 0.459 CB 1.254 35 residues pruned to eliminate duplicates Z: 23 16.586 1.917 0.591 0.478 0.909 0.500 CB 1.304 17 residues pruned to eliminate duplicates Z: 21 44.302 2.311 0.939 0.868 0.950 0.600 CA 1.700 21 residues pruned to eliminate duplicates Z: 10 10.860 1.730 0.322 0.854 1.000 0.778 CA 1.168 10 residues pruned to eliminate duplicates Z: 20 18.389 1.841 0.438 0.801 0.947 0.789 CA 1.293 17 residues pruned to eliminate duplicates Z: 16 31.004 2.145 1.100 0.896 0.800 0.267 CA 1.591 16 residues pruned to eliminate duplicates Z: 9 15.718 1.942 0.248 0.908 1.000 0.750 CB 1.628 9 residues pruned to eliminate duplicates Z: 17 18.379 2.053 0.589 0.490 0.875 0.438 CA 1.626 17 residues pruned to eliminate duplicates Z: 9 5.529 1.767 0.249 0.462 0.875 0.500 CB 1.052 9 residues pruned to eliminate duplicates Z: 8 7.668 1.734 0.605 0.516 1.000 0.571 CB 1.025 8 residues pruned to eliminate duplicates Z: 7 4.062 1.901 -0.118 0.412 1.000 0.500 CB 1.084 Z: 10 10.058 1.928 0.393 0.640 0.778 0.667 CB 1.407 10 residues pruned to eliminate duplicates Z: 20 20.434 1.917 0.532 0.844 0.895 0.632 CA 1.328 20 residues pruned to eliminate duplicates Z: 8 10.220 2.095 0.266 0.811 0.857 0.429 CB 1.296 8 residues pruned to eliminate duplicates Z: 9 8.728 1.780 0.277 0.764 0.875 0.500 CB 1.228 9 residues pruned to eliminate duplicates Z: 13 15.180 1.889 0.539 0.639 1.000 0.667 CB 1.324 8 residues pruned to eliminate duplicates Z: 12 16.557 1.923 0.391 0.931 1.000 0.727 CA 1.303 12 residues pruned to eliminate duplicates Z: 12 23.417 2.010 0.851 0.910 1.000 0.818 CA 1.345 12 residues pruned to eliminate duplicates Z: 17 21.905 1.922 0.514 0.859 1.000 0.812 CA 1.385 17 residues pruned to eliminate duplicates Z: 47 31.540 2.168 0.490 0.484 0.978 0.674 CB 1.495 47 residues pruned to eliminate duplicates Z: 9 3.878 1.798 0.590 0.450 0.625 0.500 CB 0.808 7 residues pruned to eliminate duplicates Z: 12 20.979 1.852 0.876 0.929 1.000 0.818 CA 1.274 12 residues pruned to eliminate duplicates Z: 7 9.100 2.007 0.367 0.726 0.833 0.500 CA 1.325 7 residues pruned to eliminate duplicates Z: 14 5.007 1.443 0.581 0.329 0.769 0.462 CB 0.955 6 residues pruned to eliminate duplicates Z: 32 20.701 1.906 0.731 0.524 0.871 0.645 CB 1.263 23 residues pruned to eliminate duplicates Z: 11 10.440 1.899 0.069 0.914 1.000 1.000 CA 1.151 11 residues pruned to eliminate duplicates Z: 27 16.919 1.816 0.562 0.646 0.846 0.538 CB 1.206 27 residues pruned to eliminate duplicates Z: 11 15.759 1.969 0.433 0.729 0.900 0.600 CB 1.597 11 residues pruned to eliminate duplicates Z: 13 40.720 2.319 1.007 0.912 1.000 0.583 CA 1.788 13 residues pruned to eliminate duplicates Z: 9 8.214 1.611 0.409 0.718 1.000 0.500 CB 1.050 9 residues pruned to eliminate duplicates Z: 27 18.407 2.009 0.477 0.442 0.923 0.577 CB 1.399 27 residues pruned to eliminate duplicates Z: 14 19.716 1.738 0.798 0.912 1.000 0.538 CA 1.239 14 residues pruned to eliminate duplicates Z: 13 19.609 1.940 0.489 0.893 1.000 0.750 CA 1.407 13 residues pruned to eliminate duplicates Z: 26 16.942 1.868 0.382 0.633 0.880 0.720 CB 1.317 26 residues pruned to eliminate duplicates Z: 18 25.269 2.142 0.595 0.792 0.941 0.647 CA 1.475 18 residues pruned to eliminate duplicates Z: 129 70.933 2.254 0.685 0.652 0.883 0.664 CB 1.623 129 residues pruned to eliminate duplicates Z: 129 76.499 2.233 0.887 0.657 0.906 0.602 CB 1.530 129 residues pruned to eliminate duplicates Z: 10 28.413 2.280 1.174 0.919 0.889 0.889 CB 1.515 10 residues pruned to eliminate duplicates Z: 35 14.917 1.940 0.393 0.321 0.941 0.529 CB 1.225 35 residues pruned to eliminate duplicates Z: 10 19.903 1.964 0.797 0.919 0.889 0.889 CB 1.491 10 residues pruned to eliminate duplicates Z: 19 30.138 2.138 0.707 0.879 0.889 0.556 CA 1.587 19 residues pruned to eliminate duplicates Z: 36 19.027 1.876 0.565 0.480 0.857 0.543 CB 1.304 36 residues pruned to eliminate duplicates Z: 17 27.822 2.098 0.788 0.867 1.000 0.750 CA 1.357 17 residues pruned to eliminate duplicates Z: 15 16.984 1.860 0.402 0.914 1.000 0.857 CB 1.231 15 residues pruned to eliminate duplicates Z: 32 33.608 2.177 0.986 0.485 0.935 0.613 CA 1.514 32 residues pruned to eliminate duplicates Z: 10 8.809 1.565 0.210 0.906 1.000 0.889 CB 1.102 10 residues pruned to eliminate duplicates Z: 34 25.980 2.105 0.976 0.458 0.788 0.424 CB 1.440 34 residues pruned to eliminate duplicates Z: 54 42.035 2.212 0.727 0.509 0.925 0.642 CB 1.619 54 residues pruned to eliminate duplicates Z: 6 5.598 1.720 0.560 0.629 1.000 0.800 CB 0.826 Z: 28 25.747 2.113 0.948 0.524 0.852 0.519 CB 1.380 28 residues pruned to eliminate duplicates Z: 10 10.757 1.980 0.425 0.487 0.889 0.444 CB 1.449 Z: 8 3.119 1.870 -0.269 0.421 0.857 0.429 CB 1.093 8 residues pruned to eliminate duplicates Z: 17 18.807 1.800 0.601 0.903 0.938 0.750 CB 1.241 17 residues pruned to eliminate duplicates Z: 11 12.477 1.881 0.582 0.851 0.900 0.700 CB 1.091 11 residues pruned to eliminate duplicates Z: 16 27.304 2.210 0.475 0.906 1.000 0.867 CA 1.538 16 residues pruned to eliminate duplicates Z: 28 22.732 1.997 0.848 0.569 0.815 0.704 CB 1.362 28 residues pruned to eliminate duplicates Z: 12 38.092 2.256 1.150 0.891 1.000 0.545 CB 1.702 12 residues pruned to eliminate duplicates Z: 71 33.750 1.872 0.694 0.613 0.914 0.557 CB 1.250 71 residues pruned to eliminate duplicates Z: 13 20.059 2.053 0.266 0.941 1.000 1.000 CA 1.546 13 residues pruned to eliminate duplicates Z: 21 32.664 2.230 0.678 0.848 1.000 0.700 CA 1.449 21 residues pruned to eliminate duplicates Z: 87 71.337 2.290 0.841 0.694 0.930 0.756 CB 1.642 87 residues pruned to eliminate duplicates Z: 82 71.540 2.271 1.076 0.634 0.938 0.605 CB 1.584 82 residues pruned to eliminate duplicates Z: 13 19.896 2.030 0.597 0.908 0.917 0.917 CA 1.373 13 residues pruned to eliminate duplicates Z: 131 79.129 2.245 0.939 0.645 0.869 0.600 CA 1.602 131 residues pruned to eliminate duplicates Z: 84 49.835 2.234 0.732 0.471 0.916 0.590 CB 1.590 84 residues pruned to eliminate duplicates Z: 18 21.262 1.925 0.887 0.618 0.882 0.647 CA 1.439 18 residues pruned to eliminate duplicates Z: 11 12.333 2.034 -0.044 0.888 1.000 0.800 CB 1.445 11 residues pruned to eliminate duplicates Z: 6 8.891 1.562 0.554 0.731 1.000 0.600 CA 1.330 6 residues pruned to eliminate duplicates Z: 13 37.319 2.183 1.120 0.914 1.000 0.667 CA 1.646 13 residues pruned to eliminate duplicates Z: 44 31.901 2.113 0.801 0.484 0.907 0.535 CB 1.433 44 residues pruned to eliminate duplicates 6 1.965 1.617 0.340 0.145 0.600 0.200 CB 1.048 ? Z: 26 14.308 1.791 0.443 0.593 0.880 0.600 CB 1.151 26 residues pruned to eliminate duplicates Z: 21 27.112 1.984 0.831 0.661 1.000 0.600 CB 1.438 21 residues pruned to eliminate duplicates Z: 83 61.855 2.225 0.804 0.663 0.915 0.732 CB 1.600 83 residues pruned to eliminate duplicates Z: 8 6.408 2.269 -0.102 0.393 0.857 0.714 CB 1.554 8 residues pruned to eliminate duplicates Z: 76 69.439 2.304 0.970 0.691 0.933 0.613 CB 1.589 76 residues pruned to eliminate duplicates Z: 12 14.975 1.843 0.302 0.824 1.000 0.818 CB 1.421 12 residues pruned to eliminate duplicates Z: 8 3.775 1.454 0.177 0.251 1.000 0.429 N 1.110 Z: 14 36.780 2.055 1.098 0.900 1.000 0.769 CA 1.690 14 residues pruned to eliminate duplicates Z: 9 16.351 2.013 0.498 0.815 1.000 0.625 CB 1.458 9 residues pruned to eliminate duplicates Z: 18 45.349 2.404 1.151 0.881 0.941 0.765 CB 1.637 18 residues pruned to eliminate duplicates Z: 31 29.610 2.168 0.864 0.482 0.900 0.567 CB 1.513 31 residues pruned to eliminate duplicates Z: 6 4.968 1.703 0.436 0.309 0.800 0.400 O 1.403 Z: 21 17.963 2.187 0.299 0.546 0.850 0.600 CB 1.590 21 residues pruned to eliminate duplicates Z: 13 18.270 1.812 0.662 0.909 1.000 0.917 CA 1.243 13 residues pruned to eliminate duplicates Z: 7 3.663 1.650 0.542 0.542 0.833 0.667 CB 0.677 Z: 13 17.822 1.833 0.866 0.780 1.000 0.417 CB 1.175 13 residues pruned to eliminate duplicates Z: 95 64.555 2.193 0.818 0.680 0.904 0.585 CB 1.565 31 residues pruned to eliminate duplicates Z: 7 10.773 1.774 0.875 0.803 0.667 0.667 CA 1.523 7 residues pruned to eliminate duplicates Z: 80 61.132 2.275 0.815 0.647 0.924 0.646 CA 1.571 80 residues pruned to eliminate duplicates Z: 11 9.571 2.031 0.269 0.354 0.900 0.600 CB 1.529 11 residues pruned to eliminate duplicates Z: 8 3.437 1.468 0.890 0.317 0.571 0.286 CB 1.003 Z: 15 17.630 1.908 0.399 0.865 1.000 0.857 CA 1.293 15 residues pruned to eliminate duplicates Z: 130 77.137 2.283 0.800 0.659 0.899 0.659 CA 1.585 130 residues pruned to eliminate duplicates Z: 9 9.551 1.723 0.205 0.892 1.000 0.625 CB 1.169 Z: 20 43.181 2.268 1.176 0.872 0.895 0.737 CA 1.635 20 residues pruned to eliminate duplicates Z: 8 10.520 1.896 0.537 0.823 0.857 0.714 CA 1.203 8 residues pruned to eliminate duplicates Z: 15 14.656 2.027 0.652 0.554 0.857 0.429 CB 1.295 15 residues pruned to eliminate duplicates Z: 35 25.374 2.106 0.588 0.479 0.941 0.765 CB 1.412 35 residues pruned to eliminate duplicates Z: 13 25.825 2.025 0.622 0.856 1.000 0.750 CA 1.673 13 residues pruned to eliminate duplicates Z: 11 21.676 2.257 0.659 0.902 1.000 0.900 CA 1.306 11 residues pruned to eliminate duplicates Z: 22 23.835 2.144 0.692 0.550 0.905 0.714 CA 1.509 22 residues pruned to eliminate duplicates Z: 12 18.601 2.093 0.495 0.831 0.818 0.364 CA 1.647 12 residues pruned to eliminate duplicates Z: 12 20.987 1.936 0.609 0.895 1.000 0.727 CB 1.457 12 residues pruned to eliminate duplicates Z: 12 13.307 1.864 0.486 0.829 0.909 0.636 CA 1.199 12 residues pruned to eliminate duplicates Z: 7 12.781 1.963 0.549 0.701 1.000 0.667 CA 1.429 7 residues pruned to eliminate duplicates Z: 20 22.153 1.898 0.659 0.876 0.895 0.789 CB 1.311 20 residues pruned to eliminate duplicates Z: 131 80.257 2.251 0.844 0.659 0.931 0.654 CB 1.572 131 residues pruned to eliminate duplicates Z: 10 13.670 1.935 0.238 0.835 1.000 0.667 CA 1.425 10 residues pruned to eliminate duplicates Z: 41 26.680 2.116 0.775 0.477 0.850 0.500 CB 1.352 41 residues pruned to eliminate duplicates Z: 77 35.248 1.964 0.541 0.593 0.921 0.658 CB 1.327 77 residues pruned to eliminate duplicates Z: 7 2.856 1.263 0.133 0.569 0.833 0.667 CA 0.915 Z: 12 10.731 1.783 0.252 0.768 0.909 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 8 10.915 1.797 0.629 0.827 0.857 0.857 CB 1.239 8 residues pruned to eliminate duplicates Z: 37 15.702 1.868 0.342 0.461 0.944 0.611 CB 1.150 23 residues pruned to eliminate duplicates Z: 23 12.546 1.896 0.389 0.339 0.864 0.636 CB 1.402 23 residues pruned to eliminate duplicates Z: 128 83.442 2.299 0.810 0.656 0.945 0.661 CB 1.629 128 residues pruned to eliminate duplicates Z: 10 8.947 1.974 -0.154 0.933 1.000 1.000 CB 1.246 10 residues pruned to eliminate duplicates Z: 24 18.966 1.914 0.820 0.445 0.870 0.391 CB 1.381 24 residues pruned to eliminate duplicates Z: 18 20.509 1.834 0.495 0.870 1.000 0.824 CA 1.324 18 residues pruned to eliminate duplicates Z: 7 4.884 1.756 0.001 0.534 0.833 0.833 CA 1.316 13 residues pruned to eliminate duplicates Z: 45 26.726 1.890 0.566 0.631 0.955 0.591 CB 1.260 45 residues pruned to eliminate duplicates Z: 6 11.991 1.964 0.544 0.787 1.000 0.600 CA 1.375 Z: 14 13.720 1.940 0.403 0.673 0.846 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 10 11.350 2.017 0.386 0.779 0.889 0.889 CA 1.190 10 residues pruned to eliminate duplicates Z: 184 84.638 2.232 0.751 0.589 0.913 0.585 CB 1.611 84 residues pruned to eliminate duplicates Z: 7 5.410 1.465 0.524 0.741 0.833 0.500 CB 0.957 Z: 8 2.874 1.727 -0.103 0.385 0.714 0.571 CB 1.109 Z: 14 13.110 1.911 0.891 0.518 0.769 0.615 CA 1.285 14 residues pruned to eliminate duplicates Z: 26 31.101 2.227 0.833 0.580 0.880 0.720 CA 1.603 26 residues pruned to eliminate duplicates Z: 6 7.468 2.060 0.858 0.540 0.800 0.200 CA 1.049 6 residues pruned to eliminate duplicates Z: 11 16.502 1.861 0.430 0.875 1.000 0.800 CB 1.426 11 residues pruned to eliminate duplicates Z: 12 30.950 2.236 1.030 0.875 1.000 0.727 CB 1.495 11 residues pruned to eliminate duplicates Z: 23 17.684 1.965 0.508 0.463 0.955 0.682 CB 1.385 23 residues pruned to eliminate duplicates Z: 8 3.933 1.833 -0.164 0.472 0.857 0.571 CB 1.165 6 residues pruned to eliminate duplicates Z: 20 16.252 1.994 0.368 0.783 0.895 0.737 CB 1.190 20 residues pruned to eliminate duplicates Z: 20 25.113 2.282 0.826 0.575 0.842 0.579 CA 1.528 20 residues pruned to eliminate duplicates Z: 62 38.984 2.196 0.667 0.464 0.902 0.656 CB 1.569 62 residues pruned to eliminate duplicates Z: 21 21.264 2.002 0.746 0.605 0.850 0.700 CB 1.449 21 residues pruned to eliminate duplicates Z: 10 13.086 1.949 0.223 0.820 1.000 0.444 CB 1.386 10 residues pruned to eliminate duplicates Z: 16 13.685 1.713 0.882 0.700 0.933 0.133 CB 0.978 16 residues pruned to eliminate duplicates Z: 28 18.191 1.923 0.507 0.527 0.852 0.630 CB 1.381 28 residues pruned to eliminate duplicates 8 1.765 1.566 -0.302 0.334 1.000 0.286 CB 0.731 ? Z: 8 7.172 1.456 0.898 0.802 0.857 0.429 CB 0.879 8 residues pruned to eliminate duplicates Z: 31 26.523 2.084 0.826 0.497 0.833 0.633 CA 1.532 31 residues pruned to eliminate duplicates Z: 10 12.031 1.831 0.460 0.785 0.889 0.444 CB 1.314 10 residues pruned to eliminate duplicates Z: 11 16.899 2.117 0.652 0.860 0.900 0.500 CA 1.248 11 residues pruned to eliminate duplicates Z: 7 5.093 1.569 0.243 0.587 0.833 0.667 CB 1.176 12 residues pruned to eliminate duplicates Z: 14 14.824 1.873 0.624 0.688 0.846 0.692 CA 1.345 14 residues pruned to eliminate duplicates Z: 9 7.267 1.676 0.712 0.728 0.875 0.750 CA 0.834 9 residues pruned to eliminate duplicates Z: 12 10.025 1.736 0.208 0.526 1.000 0.636 CB 1.405 12 residues pruned to eliminate duplicates Z: 10 16.152 2.020 0.473 0.859 1.000 0.778 CA 1.332 10 residues pruned to eliminate duplicates Z: 8 5.144 1.705 0.212 0.512 0.714 0.429 CB 1.303 8 residues pruned to eliminate duplicates Z: 10 15.557 1.719 0.647 0.914 1.000 0.889 CB 1.295 10 residues pruned to eliminate duplicates Z: 23 21.478 2.044 0.735 0.644 0.864 0.409 CB 1.307 23 residues pruned to eliminate duplicates Z: 58 24.236 1.911 0.591 0.514 0.895 0.544 CB 1.163 58 residues pruned to eliminate duplicates Z: 43 31.847 2.159 0.806 0.516 0.857 0.548 CB 1.447 43 residues pruned to eliminate duplicates Z: 69 45.888 2.154 0.706 0.635 0.897 0.676 CB 1.487 69 residues pruned to eliminate duplicates Z: 50 51.622 2.152 1.076 0.651 0.898 0.592 CA 1.597 50 residues pruned to eliminate duplicates Z: 7 14.425 2.190 0.904 0.775 0.833 0.667 CA 1.329 7 residues pruned to eliminate duplicates Z: 13 15.613 1.689 0.691 0.850 1.000 0.667 CA 1.168 13 residues pruned to eliminate duplicates Z: 96 65.129 2.157 0.913 0.650 0.937 0.589 CA 1.503 96 residues pruned to eliminate duplicates Z: 24 22.931 2.152 0.405 0.669 0.870 0.696 CB 1.556 24 residues pruned to eliminate duplicates Z: 34 16.631 1.930 0.610 0.372 0.788 0.485 CB 1.355 34 residues pruned to eliminate duplicates Z: 12 25.701 2.049 0.890 0.894 1.000 0.818 CA 1.437 12 residues pruned to eliminate duplicates Z: 26 20.375 2.080 0.726 0.381 0.840 0.360 CB 1.534 26 residues pruned to eliminate duplicates Z: 12 13.966 1.789 0.331 0.838 1.000 0.727 CB 1.322 12 residues pruned to eliminate duplicates Z: 41 30.243 2.134 0.510 0.529 0.975 0.700 CA 1.478 41 residues pruned to eliminate duplicates Z: 178 82.373 2.257 0.787 0.577 0.887 0.565 CA 1.607 178 residues pruned to eliminate duplicates Z: 13 37.561 2.291 1.190 0.869 1.000 0.583 CB 1.578 13 residues pruned to eliminate duplicates Z: 13 21.072 1.894 0.916 0.901 1.000 0.833 CA 1.196 Z: 8 9.051 1.854 0.750 0.425 0.857 0.714 CB 1.331 9 residues pruned to eliminate duplicates Z: 27 19.130 1.957 0.565 0.489 0.885 0.654 CB 1.401 27 residues pruned to eliminate duplicates Z: 11 8.858 1.829 0.293 0.811 0.700 0.400 CB 1.291 11 residues pruned to eliminate duplicates Z: 157 78.581 2.203 0.801 0.569 0.923 0.628 CA 1.607 144 residues pruned to eliminate duplicates Z: 6 3.835 1.552 0.593 0.286 0.800 0.600 CB 1.103 Z: 84 60.858 2.214 0.917 0.630 0.880 0.554 CB 1.583 84 residues pruned to eliminate duplicates Z: 24 17.466 1.847 0.366 0.580 1.000 0.609 CB 1.337 9 residues pruned to eliminate duplicates Z: 71 64.572 2.196 1.137 0.679 0.886 0.600 CA 1.575 43 residues pruned to eliminate duplicates Z: 11 5.438 1.482 0.922 0.239 0.700 0.300 CA 1.168 Z: 11 21.151 2.048 0.837 0.898 0.900 0.600 CB 1.413 11 residues pruned to eliminate duplicates Z: 11 4.175 1.474 0.745 0.389 0.600 0.400 CB 0.963 Z: 123 71.632 2.264 0.759 0.621 0.910 0.549 CA 1.596 123 residues pruned to eliminate duplicates Z: 7 5.190 1.868 -0.286 0.622 1.000 0.500 CB 1.415 7 residues pruned to eliminate duplicates Z: 136 73.229 2.261 0.787 0.617 0.896 0.644 CB 1.558 136 residues pruned to eliminate duplicates Z: 21 26.054 2.218 1.084 0.492 0.800 0.500 CA 1.588 21 residues pruned to eliminate duplicates Z: 13 22.468 1.816 0.883 0.929 1.000 0.833 CB 1.327 13 residues pruned to eliminate duplicates Z: 6 5.775 1.645 0.818 0.875 1.000 0.600 CB 0.628 6 residues pruned to eliminate duplicates Z: 8 6.797 1.377 0.642 0.734 1.000 0.714 N 0.921 Using tripeptides from previous cycle as seeds Z: 7 2.615 1.723 0.385 0.211 0.667 0.500 N 0.944 Z: 6 4.404 1.806 0.554 0.498 0.800 0.400 CA 0.879 3 residues pruned to eliminate duplicates Z: 6 5.428 1.701 0.238 0.657 1.000 0.400 CB 0.996 6 residues pruned to eliminate duplicates Z: 80 60.950 2.296 0.764 0.684 0.899 0.696 CB 1.591 80 residues pruned to eliminate duplicates Z: 133 75.530 2.270 0.843 0.640 0.894 0.614 CB 1.542 133 residues pruned to eliminate duplicates Z: 51 38.539 2.208 0.732 0.611 0.860 0.480 CB 1.491 51 residues pruned to eliminate duplicates Z: 78 60.975 2.298 0.756 0.696 0.909 0.675 CA 1.584 78 residues pruned to eliminate duplicates Z: 11 4.379 2.202 0.712 0.109 0.500 0.200 CA 1.207 11 residues pruned to eliminate duplicates Z: 131 81.331 2.266 0.908 0.650 0.915 0.608 CB 1.567 102 residues pruned to eliminate duplicates Z: 21 39.123 2.205 0.967 0.788 1.000 0.700 CA 1.566 21 residues pruned to eliminate duplicates Z: 51 52.947 2.244 0.957 0.677 0.940 0.580 CA 1.541 43 residues pruned to eliminate duplicates Z: 19 42.238 2.347 0.958 0.804 1.000 0.722 CA 1.661 19 residues pruned to eliminate duplicates Z: 34 45.285 2.278 0.940 0.677 0.939 0.606 CA 1.614 34 residues pruned to eliminate duplicates Z: 132 79.066 2.260 0.857 0.640 0.939 0.626 CB 1.538 131 residues pruned to eliminate duplicates Z: 19 40.172 2.352 0.926 0.799 1.000 0.722 CA 1.610 19 residues pruned to eliminate duplicates Z: 132 77.838 2.275 0.835 0.637 0.916 0.634 CB 1.563 132 residues pruned to eliminate duplicates Z: 89 76.283 2.271 0.883 0.733 0.943 0.682 CA 1.636 89 residues pruned to eliminate duplicates Z: 131 79.303 2.272 0.798 0.670 0.931 0.654 CB 1.563 131 residues pruned to eliminate duplicates Z: 49 46.102 2.225 0.839 0.641 0.896 0.604 CB 1.591 49 residues pruned to eliminate duplicates Z: 128 77.879 2.279 0.823 0.661 0.906 0.669 CB 1.582 128 residues pruned to eliminate duplicates Z: 36 44.858 2.260 1.123 0.627 0.914 0.571 CB 1.534 36 residues pruned to eliminate duplicates Z: 50 50.687 2.222 0.902 0.684 0.898 0.592 CA 1.611 50 residues pruned to eliminate duplicates Z: 136 75.682 2.233 0.817 0.632 0.904 0.622 CB 1.569 136 residues pruned to eliminate duplicates Z: 130 73.146 2.247 0.818 0.646 0.884 0.643 CB 1.556 130 residues pruned to eliminate duplicates Z: 37 42.973 2.247 1.102 0.621 0.889 0.417 CB 1.522 37 residues pruned to eliminate duplicates Z: 32 50.316 2.319 1.212 0.682 0.903 0.645 CB 1.650 32 residues pruned to eliminate duplicates Z: 90 73.130 2.297 0.842 0.723 0.921 0.652 CA 1.626 90 residues pruned to eliminate duplicates Z: 96 76.501 2.279 0.962 0.667 0.916 0.663 CA 1.642 96 residues pruned to eliminate duplicates Z: 138 74.419 2.222 0.818 0.626 0.905 0.599 CB 1.544 108 residues pruned to eliminate duplicates Z: 14 23.566 1.931 1.004 0.750 0.923 0.385 CA 1.464 14 residues pruned to eliminate duplicates Z: 128 80.067 2.252 0.884 0.656 0.913 0.606 CB 1.586 128 residues pruned to eliminate duplicates Z: 130 78.152 2.260 0.814 0.651 0.930 0.589 CB 1.568 130 residues pruned to eliminate duplicates Z: 133 71.078 2.262 0.780 0.646 0.879 0.545 CB 1.526 133 residues pruned to eliminate duplicates Z: 34 43.193 2.288 1.062 0.639 0.909 0.424 CB 1.539 24 residues pruned to eliminate duplicates Z: 13 20.878 1.854 0.848 0.881 1.000 0.417 CA 1.275 10 residues pruned to eliminate duplicates Z: 12 24.460 1.976 1.008 0.871 1.000 0.636 CA 1.356 12 residues pruned to eliminate duplicates Z: 12 22.034 1.946 1.042 0.891 0.909 0.636 CA 1.322 12 residues pruned to eliminate duplicates Z: 13 21.813 1.869 0.978 0.867 1.000 0.333 CA 1.247 13 residues pruned to eliminate duplicates Z: 129 86.493 2.279 0.933 0.667 0.938 0.633 CB 1.587 129 residues pruned to eliminate duplicates Z: 135 77.330 2.259 0.880 0.615 0.910 0.597 CB 1.550 135 residues pruned to eliminate duplicates Z: 75 80.870 2.328 1.080 0.707 0.973 0.703 CB 1.652 75 residues pruned to eliminate duplicates Z: 103 57.885 2.203 0.726 0.617 0.892 0.637 CB 1.512 103 residues pruned to eliminate duplicates Z: 99 57.667 2.258 0.681 0.615 0.888 0.673 CB 1.551 99 residues pruned to eliminate duplicates Z: 75 66.810 2.333 0.773 0.705 0.946 0.716 CB 1.647 75 residues pruned to eliminate duplicates Z: 42 50.116 2.334 0.832 0.705 0.927 0.780 CA 1.639 42 residues pruned to eliminate duplicates Z: 72 71.704 2.329 0.898 0.745 0.930 0.634 CB 1.662 31 residues pruned to eliminate duplicates Z: 12 25.783 2.339 0.396 0.907 1.000 1.000 CA 1.693 12 residues pruned to eliminate duplicates Z: 66 56.657 2.310 0.736 0.680 0.908 0.677 CB 1.636 43 residues pruned to eliminate duplicates Z: 15 24.380 2.207 0.557 0.884 1.000 0.857 CA 1.369 15 residues pruned to eliminate duplicates Z: 130 77.121 2.257 0.949 0.624 0.884 0.589 CB 1.554 99 residues pruned to eliminate duplicates Z: 14 23.752 2.291 0.551 0.829 0.923 0.846 CA 1.512 14 residues pruned to eliminate duplicates Z: 99 59.460 2.236 0.737 0.623 0.888 0.633 CB 1.551 99 residues pruned to eliminate duplicates Z: 94 76.165 2.276 0.926 0.693 0.914 0.688 CB 1.654 94 residues pruned to eliminate duplicates Z: 99 79.420 2.301 0.964 0.699 0.929 0.663 CB 1.595 99 residues pruned to eliminate duplicates Z: 94 53.734 2.226 0.828 0.566 0.871 0.548 CB 1.474 94 residues pruned to eliminate duplicates Z: 94 69.293 2.292 0.889 0.636 0.925 0.656 CB 1.579 97 residues pruned to eliminate duplicates Z: 22 36.387 2.279 0.876 0.717 0.952 0.476 CA 1.603 22 residues pruned to eliminate duplicates Z: 114 81.087 2.280 0.944 0.682 0.929 0.575 CB 1.567 114 residues pruned to eliminate duplicates Z: 94 66.875 2.282 0.836 0.644 0.914 0.656 CB 1.583 94 residues pruned to eliminate duplicates Z: 99 60.607 2.260 0.738 0.617 0.898 0.673 CB 1.554 99 residues pruned to eliminate duplicates Z: 80 67.378 2.313 0.882 0.671 0.937 0.684 CB 1.588 80 residues pruned to eliminate duplicates Z: 92 64.653 2.299 0.766 0.657 0.912 0.703 CB 1.582 92 residues pruned to eliminate duplicates Z: 96 59.217 2.264 0.772 0.617 0.874 0.600 CB 1.551 96 residues pruned to eliminate duplicates Z: 86 71.470 2.297 1.099 0.654 0.871 0.553 CB 1.601 86 residues pruned to eliminate duplicates Z: 67 61.301 2.308 0.862 0.673 0.924 0.652 CB 1.619 67 residues pruned to eliminate duplicates Z: 72 55.506 2.214 0.736 0.669 0.901 0.704 CB 1.626 72 residues pruned to eliminate duplicates Z: 61 59.443 2.268 0.831 0.681 0.917 0.650 CA 1.706 61 residues pruned to eliminate duplicates Z: 54 64.605 2.349 0.948 0.729 0.943 0.717 CB 1.673 54 residues pruned to eliminate duplicates Z: 72 55.968 2.267 0.752 0.656 0.901 0.620 CB 1.606 72 residues pruned to eliminate duplicates Z: 95 61.989 2.254 0.825 0.634 0.883 0.628 CB 1.553 95 residues pruned to eliminate duplicates Z: 66 59.900 2.294 1.052 0.665 0.892 0.600 CB 1.519 66 residues pruned to eliminate duplicates Z: 90 86.463 2.317 1.094 0.722 0.955 0.562 CB 1.619 90 residues pruned to eliminate duplicates Z: 95 66.808 2.284 0.846 0.634 0.904 0.553 CB 1.594 95 residues pruned to eliminate duplicates Z: 129 75.521 2.253 0.886 0.624 0.914 0.508 CB 1.530 129 residues pruned to eliminate duplicates Z: 71 59.245 2.251 0.927 0.627 0.900 0.643 CB 1.610 71 residues pruned to eliminate duplicates Z: 100 80.311 2.297 1.015 0.689 0.929 0.586 CB 1.578 100 residues pruned to eliminate duplicates Z: 91 63.548 2.257 0.838 0.611 0.922 0.700 CB 1.576 91 residues pruned to eliminate duplicates Z: 56 54.530 2.306 0.806 0.686 0.945 0.673 CB 1.574 56 residues pruned to eliminate duplicates Z: 54 57.174 2.302 0.814 0.721 0.943 0.623 CA 1.633 54 residues pruned to eliminate duplicates Z: 68 60.826 2.275 0.880 0.662 0.925 0.627 CA 1.616 68 residues pruned to eliminate duplicates Z: 59 58.045 2.320 0.773 0.726 0.931 0.655 CA 1.624 59 residues pruned to eliminate duplicates Z: 131 79.954 2.262 0.909 0.643 0.908 0.631 CB 1.565 131 residues pruned to eliminate duplicates Z: 53 43.002 2.236 0.798 0.578 0.923 0.577 CB 1.491 53 residues pruned to eliminate duplicates Z: 38 37.518 2.251 0.766 0.660 0.946 0.649 CB 1.413 38 residues pruned to eliminate duplicates Z: 42 32.503 2.220 0.636 0.627 0.878 0.683 CB 1.412 42 residues pruned to eliminate duplicates Z: 57 36.757 2.203 0.621 0.568 0.875 0.607 CB 1.472 57 residues pruned to eliminate duplicates Z: 94 65.108 2.284 0.810 0.633 0.914 0.602 CB 1.577 94 residues pruned to eliminate duplicates Z: 71 51.893 2.228 0.875 0.606 0.886 0.614 CB 1.516 71 residues pruned to eliminate duplicates Z: 34 34.360 2.262 0.610 0.710 0.939 0.697 CB 1.444 34 residues pruned to eliminate duplicates Z: 54 40.159 2.202 0.734 0.588 0.906 0.566 CB 1.465 54 residues pruned to eliminate duplicates Z: 128 72.657 2.238 0.852 0.623 0.913 0.488 CB 1.517 128 residues pruned to eliminate duplicates Z: 53 41.271 2.213 0.780 0.581 0.923 0.558 CB 1.456 53 residues pruned to eliminate duplicates Z: 53 40.420 2.212 0.825 0.596 0.904 0.577 CB 1.402 53 residues pruned to eliminate duplicates Z: 113 54.200 2.191 0.652 0.584 0.857 0.598 CB 1.523 113 residues pruned to eliminate duplicates Z: 53 32.789 2.159 0.650 0.515 0.904 0.538 CB 1.392 53 residues pruned to eliminate duplicates Z: 15 8.532 1.940 0.450 0.424 0.786 0.429 CB 1.117 15 residues pruned to eliminate duplicates Z: 78 59.657 2.282 0.804 0.673 0.896 0.636 CB 1.572 78 residues pruned to eliminate duplicates Z: 36 22.557 2.056 0.615 0.549 0.857 0.657 CB 1.277 36 residues pruned to eliminate duplicates Z: 51 34.660 2.187 0.743 0.506 0.900 0.600 CB 1.420 51 residues pruned to eliminate duplicates Z: 41 30.732 2.174 0.740 0.510 0.900 0.500 CB 1.414 41 residues pruned to eliminate duplicates Z: 54 33.572 2.155 0.676 0.553 0.887 0.491 CB 1.368 54 residues pruned to eliminate duplicates Z: 25 17.380 2.147 0.728 0.536 0.792 0.417 CB 1.166 25 residues pruned to eliminate duplicates Z: 71 59.943 2.276 0.954 0.648 0.871 0.500 CB 1.611 71 residues pruned to eliminate duplicates Z: 39 36.680 2.257 0.833 0.672 0.895 0.553 CB 1.371 39 residues pruned to eliminate duplicates Z: 79 64.849 2.280 0.905 0.649 0.949 0.526 CB 1.551 79 residues pruned to eliminate duplicates Z: 57 40.788 2.203 0.776 0.551 0.911 0.554 CB 1.457 57 residues pruned to eliminate duplicates Z: 34 28.950 2.188 0.757 0.540 0.879 0.455 CB 1.434 34 residues pruned to eliminate duplicates Z: 23 20.172 2.168 0.862 0.495 0.818 0.455 CB 1.309 23 residues pruned to eliminate duplicates Z: 24 23.976 2.125 0.767 0.575 0.913 0.522 CB 1.357 24 residues pruned to eliminate duplicates Z: 52 41.520 2.242 0.767 0.593 0.922 0.647 CB 1.457 52 residues pruned to eliminate duplicates Z: 98 59.998 2.228 0.899 0.595 0.897 0.546 CB 1.465 98 residues pruned to eliminate duplicates Z: 130 79.747 2.254 0.961 0.639 0.915 0.612 CB 1.524 130 residues pruned to eliminate duplicates Z: 56 36.761 2.162 0.775 0.550 0.891 0.564 CB 1.380 56 residues pruned to eliminate duplicates Z: 41 30.360 2.200 0.718 0.530 0.825 0.550 CB 1.495 41 residues pruned to eliminate duplicates Z: 36 32.197 2.216 0.823 0.534 0.886 0.543 CB 1.471 36 residues pruned to eliminate duplicates Z: 40 32.788 2.232 0.784 0.543 0.872 0.538 CB 1.450 40 residues pruned to eliminate duplicates Z: 54 40.523 2.224 0.854 0.567 0.887 0.604 CB 1.426 54 residues pruned to eliminate duplicates Z: 52 26.976 2.091 0.729 0.508 0.784 0.412 CB 1.322 52 residues pruned to eliminate duplicates Z: 67 35.934 2.130 0.807 0.473 0.848 0.485 CB 1.392 67 residues pruned to eliminate duplicates Z: 57 30.179 2.075 0.740 0.462 0.857 0.536 CB 1.354 121 residues pruned to eliminate duplicates Z: 6 3.803 1.435 0.772 0.430 1.000 1.000 CA 0.719 Z: 9 11.810 1.749 0.628 0.487 1.000 0.375 CB 1.485 15 residues pruned to eliminate duplicates Z: 41 34.318 2.180 0.836 0.549 0.900 0.575 CB 1.436 41 residues pruned to eliminate duplicates Z: 55 34.352 2.152 0.794 0.573 0.833 0.463 CB 1.354 55 residues pruned to eliminate duplicates Z: 52 37.434 2.151 0.799 0.564 0.882 0.451 CB 1.443 52 residues pruned to eliminate duplicates Z: 97 61.348 2.256 0.895 0.610 0.865 0.562 CB 1.526 97 residues pruned to eliminate duplicates Z: 41 33.317 2.193 0.728 0.565 0.900 0.575 CB 1.450 41 residues pruned to eliminate duplicates Z: 23 19.313 2.048 0.875 0.391 0.773 0.455 CA 1.557 23 residues pruned to eliminate duplicates Z: 35 26.359 2.180 0.812 0.508 0.794 0.559 CB 1.429 35 residues pruned to eliminate duplicates Z: 46 29.598 2.126 0.795 0.488 0.800 0.444 CB 1.463 46 residues pruned to eliminate duplicates Z: 129 70.913 2.253 0.813 0.629 0.867 0.594 CB 1.568 129 residues pruned to eliminate duplicates Z: 133 63.144 2.184 0.691 0.595 0.871 0.621 CB 1.561 133 residues pruned to eliminate duplicates Z: 99 58.284 2.244 0.859 0.615 0.847 0.500 CB 1.495 99 residues pruned to eliminate duplicates Z: 135 74.641 2.262 0.794 0.624 0.910 0.657 CB 1.552 135 residues pruned to eliminate duplicates Z: 12 11.322 1.769 0.269 0.767 0.909 0.818 CA 1.321 Z: 12 13.453 1.786 0.255 0.808 1.000 0.636 CA 1.384 12 residues pruned to eliminate duplicates Z: 12 12.392 1.829 0.151 0.783 1.000 0.818 CB 1.384 12 residues pruned to eliminate duplicates Z: 11 10.211 1.666 0.325 0.816 1.000 0.700 CA 1.111 11 residues pruned to eliminate duplicates Z: 21 11.253 1.837 0.414 0.490 0.900 0.550 CB 1.088 12 residues pruned to eliminate duplicates Z: 11 14.518 1.874 0.395 0.797 1.000 0.800 CA 1.354 11 residues pruned to eliminate duplicates Z: 17 10.685 1.859 0.187 0.544 0.938 0.625 CB 1.237 17 residues pruned to eliminate duplicates Z: 14 12.420 1.895 0.203 0.660 0.923 0.538 CB 1.411 14 residues pruned to eliminate duplicates Z: 35 22.956 1.946 0.461 0.614 0.941 0.706 CB 1.320 31 residues pruned to eliminate duplicates Z: 64 30.481 1.955 0.590 0.522 0.937 0.635 CB 1.290 100 residues pruned to eliminate duplicates Z: 68 25.648 1.958 0.462 0.490 0.881 0.567 CB 1.255 68 residues pruned to eliminate duplicates Z: 66 28.159 1.926 0.557 0.501 0.892 0.615 CB 1.305 66 residues pruned to eliminate duplicates Z: 36 20.869 1.927 0.446 0.554 0.886 0.600 CB 1.356 Z: 6 9.332 1.755 0.965 0.603 1.000 0.400 CB 1.097 6 residues pruned to eliminate duplicates Z: 47 24.808 1.917 0.597 0.529 0.891 0.630 CB 1.303 83 residues pruned to eliminate duplicates Z: 24 19.840 1.973 0.729 0.541 0.870 0.565 CB 1.339 24 residues pruned to eliminate duplicates Z: 32 24.589 1.969 0.583 0.586 1.000 0.710 CB 1.305 Z: 7 8.324 1.836 0.934 0.503 0.833 0.833 CB 1.145 7 residues pruned to eliminate duplicates Z: 67 29.156 1.950 0.559 0.490 0.909 0.591 CB 1.312 99 residues pruned to eliminate duplicates Z: 24 18.289 1.942 0.563 0.460 0.913 0.522 CA 1.433 Z: 6 4.571 1.674 0.484 0.174 1.000 0.400 CA 1.221 6 residues pruned to eliminate duplicates Z: 37 24.114 1.966 0.518 0.566 0.944 0.583 CB 1.338 18 residues pruned to eliminate duplicates Z: 14 18.986 1.873 0.563 0.760 1.000 0.615 CA 1.427 19 residues pruned to eliminate duplicates Z: 13 16.960 1.790 0.781 0.716 0.917 0.583 CB 1.377 13 residues pruned to eliminate duplicates Z: 12 20.130 1.904 0.651 0.913 1.000 0.545 CB 1.367 12 residues pruned to eliminate duplicates Z: 11 19.359 1.995 0.741 0.902 0.900 0.700 CB 1.397 49 residues pruned to eliminate duplicates Z: 115 44.755 2.076 0.667 0.541 0.895 0.605 CB 1.301 115 residues pruned to eliminate duplicates Z: 31 20.249 1.976 0.689 0.527 0.867 0.467 CB 1.244 31 residues pruned to eliminate duplicates Z: 55 26.573 1.946 0.688 0.461 0.907 0.444 CB 1.263 55 residues pruned to eliminate duplicates Z: 66 30.506 1.944 0.580 0.494 0.938 0.600 CB 1.320 66 residues pruned to eliminate duplicates Z: 12 7.141 1.944 0.334 0.292 0.727 0.455 CB 1.441 12 residues pruned to eliminate duplicates Z: 48 24.786 1.934 0.501 0.543 0.936 0.596 CB 1.275 48 residues pruned to eliminate duplicates Z: 9 11.134 1.818 0.597 0.474 1.000 0.750 CB 1.393 9 residues pruned to eliminate duplicates Z: 30 20.165 1.940 0.549 0.388 1.000 0.483 CB 1.404 30 residues pruned to eliminate duplicates Z: 28 16.716 1.969 0.419 0.353 0.926 0.593 CB 1.458 28 residues pruned to eliminate duplicates Z: 10 13.091 1.886 0.668 0.353 1.000 0.667 CB 1.626 10 residues pruned to eliminate duplicates Z: 50 26.926 1.997 0.568 0.464 0.939 0.612 CB 1.358 50 residues pruned to eliminate duplicates Z: 46 25.519 2.030 0.522 0.498 0.911 0.622 CB 1.353 46 residues pruned to eliminate duplicates Z: 28 13.320 2.020 0.296 0.381 0.778 0.630 CB 1.430 28 residues pruned to eliminate duplicates Z: 54 26.002 1.979 0.685 0.480 0.849 0.528 CB 1.287 54 residues pruned to eliminate duplicates Z: 29 18.401 1.984 0.396 0.384 1.000 0.607 CB 1.421 29 residues pruned to eliminate duplicates Z: 47 28.029 2.011 0.670 0.475 0.913 0.565 CB 1.383 46 residues pruned to eliminate duplicates Z: 11 15.722 2.161 0.427 0.643 0.900 0.700 CB 1.568 12 residues pruned to eliminate duplicates Z: 11 17.026 2.003 0.595 0.753 0.900 0.700 CA 1.495 11 residues pruned to eliminate duplicates Z: 15 16.768 2.098 0.472 0.614 0.857 0.714 CB 1.519 15 residues pruned to eliminate duplicates Z: 27 14.309 2.023 0.392 0.434 0.769 0.615 CB 1.387 27 residues pruned to eliminate duplicates Z: 25 16.472 2.037 0.411 0.434 0.917 0.667 CB 1.367 25 residues pruned to eliminate duplicates Z: 52 26.709 2.002 0.627 0.480 0.882 0.529 CB 1.327 52 residues pruned to eliminate duplicates Z: 16 14.842 2.092 0.434 0.582 0.867 0.667 CB 1.362 16 residues pruned to eliminate duplicates Z: 26 15.584 2.003 0.410 0.418 0.840 0.680 CB 1.430 26 residues pruned to eliminate duplicates Z: 27 18.206 2.009 0.531 0.426 0.885 0.577 CB 1.417 27 residues pruned to eliminate duplicates Z: 27 21.348 1.979 0.668 0.424 0.962 0.538 CB 1.427 26 residues pruned to eliminate duplicates Z: 6 3.748 1.539 0.611 0.245 0.800 0.800 CA 1.134 Z: 6 5.124 1.666 0.749 0.408 0.800 0.400 N 1.083 Z: 6 4.922 2.034 0.729 0.379 0.600 0.400 CA 1.186 Z: 6 2.810 1.570 0.956 0.227 0.600 0.200 CB 0.939 Z: 40 38.261 2.194 0.862 0.615 0.923 0.641 CB 1.456 44 residues pruned to eliminate duplicates Z: 7 8.430 1.725 0.992 0.492 0.667 0.000 CA 1.514 7 residues pruned to eliminate duplicates Z: 30 32.199 2.189 0.940 0.592 0.862 0.621 CB 1.496 30 residues pruned to eliminate duplicates Z: 55 48.125 2.225 0.871 0.662 0.870 0.611 CB 1.555 55 residues pruned to eliminate duplicates Z: 41 37.705 2.222 0.873 0.659 0.825 0.625 CB 1.498 41 residues pruned to eliminate duplicates Z: 56 42.502 2.176 0.808 0.597 0.855 0.600 CB 1.554 56 residues pruned to eliminate duplicates Z: 30 32.543 2.211 0.801 0.614 0.897 0.690 CB 1.520 30 residues pruned to eliminate duplicates Z: 139 86.744 2.269 0.910 0.625 0.942 0.623 CB 1.607 139 residues pruned to eliminate duplicates Z: 36 41.954 2.243 0.776 0.733 0.943 0.714 CB 1.531 36 residues pruned to eliminate duplicates Z: 35 30.931 2.133 0.827 0.553 0.882 0.529 CB 1.465 35 residues pruned to eliminate duplicates Z: 54 47.358 2.181 0.814 0.673 0.925 0.604 CA 1.516 54 residues pruned to eliminate duplicates Z: 29 36.344 2.152 0.999 0.624 0.893 0.643 CB 1.591 29 residues pruned to eliminate duplicates Z: 37 34.041 2.183 0.918 0.556 0.861 0.583 CB 1.491 37 residues pruned to eliminate duplicates Z: 144 78.514 2.224 0.896 0.602 0.888 0.573 CB 1.591 150 residues pruned to eliminate duplicates Z: 131 75.253 2.246 0.876 0.611 0.885 0.562 CA 1.594 131 residues pruned to eliminate duplicates Z: 160 87.007 2.271 0.880 0.598 0.912 0.635 CA 1.613 160 residues pruned to eliminate duplicates Z: 174 83.684 2.205 0.839 0.594 0.902 0.630 CB 1.591 174 residues pruned to eliminate duplicates Z: 138 76.950 2.272 0.781 0.620 0.891 0.664 CA 1.629 138 residues pruned to eliminate duplicates Z: 31 36.897 2.215 1.151 0.581 0.833 0.600 CB 1.569 31 residues pruned to eliminate duplicates Z: 32 36.853 2.180 1.014 0.559 0.903 0.452 CB 1.576 32 residues pruned to eliminate duplicates Z: 36 36.755 2.140 1.106 0.571 0.886 0.457 CB 1.454 36 residues pruned to eliminate duplicates Z: 108 69.630 2.239 0.855 0.638 0.897 0.673 CB 1.587 105 residues pruned to eliminate duplicates Z: 14 20.626 1.998 0.667 0.834 0.923 0.769 CA 1.394 14 residues pruned to eliminate duplicates Z: 112 72.640 2.274 0.865 0.634 0.874 0.640 CA 1.640 112 residues pruned to eliminate duplicates Z: 40 40.916 2.208 0.954 0.610 0.897 0.615 CB 1.524 43 residues pruned to eliminate duplicates Z: 14 16.473 1.860 0.637 0.790 1.000 0.846 CA 1.163 14 residues pruned to eliminate duplicates Z: 167 81.461 2.218 0.807 0.594 0.916 0.620 CA 1.575 167 residues pruned to eliminate duplicates Z: 50 51.988 2.195 0.845 0.734 0.959 0.673 CB 1.549 56 residues pruned to eliminate duplicates Z: 12 24.365 2.015 0.662 0.913 1.000 0.909 CB 1.551 12 residues pruned to eliminate duplicates Z: 133 73.351 2.215 0.873 0.593 0.909 0.553 CB 1.549 133 residues pruned to eliminate duplicates Z: 135 82.962 2.273 0.776 0.639 0.948 0.664 CA 1.646 135 residues pruned to eliminate duplicates Z: 131 84.206 2.271 0.914 0.662 0.892 0.615 CB 1.639 131 residues pruned to eliminate duplicates Z: 181 78.458 2.214 0.754 0.570 0.900 0.556 CB 1.564 181 residues pruned to eliminate duplicates Z: 133 81.601 2.239 0.873 0.633 0.917 0.591 CA 1.630 128 residues pruned to eliminate duplicates Z: 26 36.737 2.152 0.785 0.830 0.960 0.880 CA 1.498 26 residues pruned to eliminate duplicates Z: 102 72.523 2.238 0.936 0.624 0.911 0.604 CA 1.627 102 residues pruned to eliminate duplicates Z: 173 79.172 2.224 0.788 0.584 0.907 0.651 CB 1.544 173 residues pruned to eliminate duplicates Z: 53 48.212 2.218 0.842 0.666 0.923 0.712 CB 1.520 53 residues pruned to eliminate duplicates Z: 25 37.513 2.180 0.911 0.809 0.875 0.750 CB 1.605 25 residues pruned to eliminate duplicates Z: 27 32.827 2.128 0.872 0.730 0.846 0.654 CB 1.552 27 residues pruned to eliminate duplicates Z: 97 65.870 2.235 0.923 0.587 0.927 0.479 CB 1.552 97 residues pruned to eliminate duplicates Z: 20 25.742 1.954 1.097 0.641 0.895 0.526 CB 1.411 20 residues pruned to eliminate duplicates Z: 105 73.174 2.281 0.921 0.628 0.894 0.558 CB 1.623 105 residues pruned to eliminate duplicates Z: 58 51.656 2.207 1.019 0.640 0.895 0.561 CB 1.505 58 residues pruned to eliminate duplicates Z: 55 49.546 2.153 0.938 0.683 0.907 0.556 CB 1.505 55 residues pruned to eliminate duplicates Z: 51 49.289 2.203 1.115 0.700 0.820 0.580 CB 1.521 51 residues pruned to eliminate duplicates Z: 132 68.611 2.221 0.942 0.519 0.870 0.550 CB 1.567 132 residues pruned to eliminate duplicates Z: 82 62.263 2.283 0.888 0.595 0.901 0.667 CA 1.626 82 residues pruned to eliminate duplicates Z: 121 72.831 2.274 0.908 0.563 0.900 0.558 CA 1.602 121 residues pruned to eliminate duplicates Z: 110 73.500 2.247 0.922 0.609 0.890 0.550 CA 1.651 110 residues pruned to eliminate duplicates Z: 63 58.533 2.251 0.884 0.734 0.919 0.645 CA 1.545 63 residues pruned to eliminate duplicates Z: 63 65.268 2.265 0.955 0.755 0.952 0.742 CA 1.568 63 residues pruned to eliminate duplicates Z: 130 87.652 2.298 0.992 0.655 0.899 0.636 CB 1.623 130 residues pruned to eliminate duplicates Z: 81 65.374 2.317 0.905 0.591 0.913 0.588 CB 1.663 81 residues pruned to eliminate duplicates Z: 105 76.001 2.282 0.881 0.655 0.904 0.663 CB 1.663 105 residues pruned to eliminate duplicates Z: 96 66.633 2.293 0.892 0.616 0.863 0.547 CB 1.636 96 residues pruned to eliminate duplicates Z: 63 68.902 2.260 1.052 0.752 0.968 0.726 CA 1.558 63 residues pruned to eliminate duplicates Z: 87 64.703 2.278 0.940 0.554 0.907 0.558 CB 1.653 87 residues pruned to eliminate duplicates Z: 285 116.064 2.258 0.890 0.606 0.905 0.567 CB 1.613 285 residues pruned to eliminate duplicates Z: 125 65.572 2.236 0.848 0.543 0.871 0.565 CA 1.568 125 residues pruned to eliminate duplicates Z: 71 62.080 2.279 0.949 0.640 0.886 0.629 CB 1.655 71 residues pruned to eliminate duplicates Z: 151 91.367 2.267 0.993 0.627 0.913 0.607 CA 1.604 151 residues pruned to eliminate duplicates Z: 232 101.844 2.282 0.810 0.621 0.905 0.645 CA 1.600 232 residues pruned to eliminate duplicates Z: 81 68.570 2.331 1.005 0.636 0.875 0.613 CA 1.651 81 residues pruned to eliminate duplicates Z: 153 91.087 2.273 0.932 0.624 0.921 0.612 CA 1.626 153 residues pruned to eliminate duplicates Z: 99 68.850 2.227 0.945 0.636 0.918 0.520 CB 1.538 102 residues pruned to eliminate duplicates Z: 7 8.638 1.777 0.456 0.765 1.000 0.833 CB 1.078 7 residues pruned to eliminate duplicates Z: 137 84.753 2.247 0.985 0.631 0.897 0.596 CB 1.606 137 residues pruned to eliminate duplicates Z: 250 108.456 2.279 0.814 0.619 0.928 0.606 CA 1.601 250 residues pruned to eliminate duplicates Z: 108 76.693 2.286 0.961 0.643 0.879 0.607 CA 1.647 108 residues pruned to eliminate duplicates Z: 133 90.868 2.275 0.986 0.641 0.932 0.629 CB 1.647 133 residues pruned to eliminate duplicates Z: 82 59.443 2.261 0.853 0.583 0.901 0.543 CB 1.615 82 residues pruned to eliminate duplicates Z: 98 74.613 2.270 0.882 0.669 0.928 0.639 CA 1.635 98 residues pruned to eliminate duplicates Z: 55 45.248 2.188 0.929 0.594 0.870 0.574 CA 1.532 55 residues pruned to eliminate duplicates Z: 208 98.928 2.285 0.832 0.606 0.923 0.643 CA 1.610 208 residues pruned to eliminate duplicates Z: 131 64.186 2.216 0.812 0.534 0.885 0.562 CB 1.534 131 residues pruned to eliminate duplicates Z: 109 64.542 2.266 0.899 0.545 0.861 0.620 CB 1.605 109 residues pruned to eliminate duplicates Z: 16 23.808 2.225 0.613 0.746 0.867 0.600 CB 1.586 16 residues pruned to eliminate duplicates Z: 141 71.808 2.216 0.813 0.563 0.893 0.650 CA 1.591 141 residues pruned to eliminate duplicates Z: 109 79.344 2.281 0.934 0.639 0.917 0.593 CB 1.657 109 residues pruned to eliminate duplicates Z: 105 74.986 2.224 0.974 0.671 0.904 0.587 CA 1.583 105 residues pruned to eliminate duplicates Z: 61 38.378 2.188 0.834 0.495 0.833 0.550 CB 1.489 61 residues pruned to eliminate duplicates Z: 131 88.146 2.260 1.067 0.638 0.915 0.523 CB 1.588 131 residues pruned to eliminate duplicates Z: 103 66.159 2.250 0.941 0.550 0.912 0.618 CA 1.567 103 residues pruned to eliminate duplicates Z: 144 81.517 2.251 0.841 0.591 0.944 0.587 CA 1.598 144 residues pruned to eliminate duplicates Z: 153 88.496 2.279 0.939 0.621 0.895 0.625 CA 1.619 153 residues pruned to eliminate duplicates Z: 82 60.645 2.268 0.835 0.599 0.901 0.580 CA 1.635 82 residues pruned to eliminate duplicates Z: 153 88.004 2.247 0.938 0.619 0.908 0.592 CA 1.614 153 residues pruned to eliminate duplicates Z: 105 67.911 2.246 0.894 0.587 0.913 0.596 CA 1.577 105 residues pruned to eliminate duplicates Z: 90 63.877 2.261 0.952 0.603 0.865 0.528 CA 1.608 90 residues pruned to eliminate duplicates Z: 42 40.566 2.301 0.881 0.508 0.902 0.488 CB 1.609 42 residues pruned to eliminate duplicates Z: 137 77.904 2.242 0.877 0.583 0.926 0.610 CA 1.582 137 residues pruned to eliminate duplicates Z: 149 85.732 2.247 0.934 0.627 0.905 0.574 CA 1.589 149 residues pruned to eliminate duplicates Z: 81 51.956 2.207 0.890 0.492 0.887 0.475 CB 1.581 81 residues pruned to eliminate duplicates Z: 121 60.582 2.217 0.792 0.524 0.892 0.525 CB 1.525 121 residues pruned to eliminate duplicates Z: 108 64.478 2.235 0.804 0.572 0.907 0.598 CB 1.591 108 residues pruned to eliminate duplicates Z: 35 37.313 2.402 0.973 0.520 0.794 0.500 CB 1.667 35 residues pruned to eliminate duplicates Z: 83 58.232 2.253 0.906 0.572 0.878 0.463 CB 1.592 83 residues pruned to eliminate duplicates Z: 125 79.300 2.266 0.947 0.627 0.887 0.565 CB 1.615 125 residues pruned to eliminate duplicates Z: 52 48.630 2.337 1.045 0.520 0.863 0.510 CA 1.618 52 residues pruned to eliminate duplicates Z: 75 42.527 2.214 0.775 0.453 0.851 0.473 CB 1.550 75 residues pruned to eliminate duplicates Z: 134 87.786 2.283 0.992 0.628 0.917 0.624 CB 1.618 134 residues pruned to eliminate duplicates Z: 82 65.080 2.268 1.011 0.586 0.901 0.506 CB 1.619 82 residues pruned to eliminate duplicates Z: 31 37.239 2.364 0.968 0.564 0.833 0.433 CB 1.648 31 residues pruned to eliminate duplicates Z: 107 75.904 2.265 0.970 0.637 0.896 0.594 CB 1.622 107 residues pruned to eliminate duplicates Z: 198 100.257 2.289 0.892 0.606 0.919 0.624 CA 1.623 198 residues pruned to eliminate duplicates Z: 84 63.058 2.263 1.021 0.570 0.892 0.590 CB 1.587 84 residues pruned to eliminate duplicates Z: 79 49.229 2.258 0.825 0.461 0.885 0.538 CB 1.592 79 residues pruned to eliminate duplicates Z: 63 47.329 2.277 0.943 0.461 0.871 0.468 CB 1.624 63 residues pruned to eliminate duplicates Z: 82 44.603 2.222 0.751 0.462 0.815 0.506 CA 1.626 82 residues pruned to eliminate duplicates Z: 227 99.249 2.263 0.830 0.575 0.912 0.575 CA 1.626 227 residues pruned to eliminate duplicates Z: 143 76.933 2.224 0.871 0.570 0.915 0.613 CB 1.585 143 residues pruned to eliminate duplicates Z: 186 89.285 2.296 0.871 0.566 0.876 0.578 CA 1.638 186 residues pruned to eliminate duplicates Z: 64 43.560 2.253 0.826 0.469 0.873 0.571 CB 1.576 64 residues pruned to eliminate duplicates Z: 129 82.408 2.277 0.973 0.645 0.883 0.656 CB 1.604 129 residues pruned to eliminate duplicates Z: 219 95.882 2.259 0.846 0.603 0.885 0.610 CA 1.594 219 residues pruned to eliminate duplicates Z: 123 72.598 2.254 0.916 0.570 0.893 0.533 CB 1.592 123 residues pruned to eliminate duplicates Z: 66 46.829 2.248 0.833 0.487 0.908 0.631 CA 1.573 66 residues pruned to eliminate duplicates Z: 30 45.846 2.433 1.114 0.577 0.897 0.448 CB 1.714 30 residues pruned to eliminate duplicates Z: 33 39.578 2.310 0.917 0.530 0.938 0.500 CB 1.635 33 residues pruned to eliminate duplicates Z: 42 35.613 2.306 0.950 0.426 0.878 0.537 CA 1.520 42 residues pruned to eliminate duplicates Z: 224 108.130 2.276 0.891 0.624 0.910 0.596 CB 1.644 224 residues pruned to eliminate duplicates Z: 37 33.765 2.325 0.909 0.472 0.861 0.556 CB 1.516 37 residues pruned to eliminate duplicates Z: 129 94.365 2.303 1.035 0.655 0.922 0.594 CB 1.671 129 residues pruned to eliminate duplicates Z: 39 35.318 2.336 0.953 0.490 0.842 0.421 CB 1.506 39 residues pruned to eliminate duplicates Z: 31 20.758 2.079 0.710 0.565 0.767 0.467 CA 1.305 43 residues pruned to eliminate duplicates Z: 50 27.290 2.070 0.722 0.379 0.837 0.551 CB 1.486 50 residues pruned to eliminate duplicates Z: 154 78.728 2.258 0.812 0.589 0.908 0.601 CA 1.573 154 residues pruned to eliminate duplicates Z: 50 32.395 2.186 0.725 0.434 0.898 0.510 CA 1.464 50 residues pruned to eliminate duplicates Z: 12 18.915 2.150 0.872 0.733 1.000 0.818 CA 1.150 12 residues pruned to eliminate duplicates Z: 25 20.320 2.208 0.529 0.497 0.917 0.542 CA 1.345 25 residues pruned to eliminate duplicates Z: 26 26.360 2.209 0.806 0.503 1.000 0.640 CA 1.318 26 residues pruned to eliminate duplicates Z: 32 26.216 2.205 0.670 0.426 0.935 0.677 CA 1.476 32 residues pruned to eliminate duplicates Z: 20 25.655 2.219 0.781 0.596 0.947 0.579 CA 1.434 20 residues pruned to eliminate duplicates Z: 18 30.388 2.315 0.842 0.627 1.000 0.588 CA 1.534 18 residues pruned to eliminate duplicates Z: 28 29.376 2.215 0.846 0.501 0.926 0.630 CA 1.492 28 residues pruned to eliminate duplicates Z: 124 75.599 2.278 0.840 0.589 0.919 0.618 CA 1.626 124 residues pruned to eliminate duplicates Z: 151 82.012 2.288 0.774 0.603 0.920 0.633 CA 1.626 151 residues pruned to eliminate duplicates Z: 42 28.790 2.155 0.641 0.459 0.927 0.537 CB 1.430 42 residues pruned to eliminate duplicates Z: 34 26.448 2.140 0.813 0.402 0.909 0.485 CB 1.447 34 residues pruned to eliminate duplicates Z: 131 78.918 2.294 0.830 0.606 0.915 0.646 CA 1.628 131 residues pruned to eliminate duplicates Z: 41 31.130 2.116 0.904 0.439 0.900 0.550 CB 1.446 41 residues pruned to eliminate duplicates Z: 12 9.521 1.999 0.675 0.278 0.727 0.545 CA 1.516 12 residues pruned to eliminate duplicates Z: 135 79.084 2.282 0.844 0.602 0.910 0.642 CA 1.618 135 residues pruned to eliminate duplicates Z: 42 30.495 2.193 0.574 0.482 0.927 0.634 CA 1.517 42 residues pruned to eliminate duplicates Z: 45 26.464 2.123 0.670 0.444 0.841 0.568 CB 1.418 45 residues pruned to eliminate duplicates Z: 43 26.684 2.130 0.620 0.448 0.881 0.643 CB 1.430 43 residues pruned to eliminate duplicates Z: 28 33.875 2.264 0.912 0.466 0.963 0.556 CA 1.618 28 residues pruned to eliminate duplicates Z: 109 72.862 2.286 0.888 0.591 0.907 0.620 CB 1.641 109 residues pruned to eliminate duplicates Z: 29 31.316 2.233 0.899 0.469 0.929 0.643 CA 1.551 29 residues pruned to eliminate duplicates Z: 34 25.981 2.129 0.777 0.411 0.939 0.545 CB 1.397 34 residues pruned to eliminate duplicates Z: 30 15.117 1.989 0.601 0.333 0.862 0.552 CB 1.227 30 residues pruned to eliminate duplicates Z: 144 78.111 2.270 0.823 0.562 0.902 0.573 CA 1.647 144 residues pruned to eliminate duplicates Z: 149 87.258 2.288 0.908 0.588 0.932 0.595 CA 1.619 149 residues pruned to eliminate duplicates Z: 64 45.493 2.236 0.780 0.491 0.905 0.540 CB 1.606 64 residues pruned to eliminate duplicates Z: 43 29.249 2.152 0.752 0.437 0.881 0.548 CB 1.450 43 residues pruned to eliminate duplicates Z: 42 28.039 2.146 0.723 0.478 0.805 0.561 CB 1.505 42 residues pruned to eliminate duplicates Z: 123 76.022 2.307 0.834 0.601 0.902 0.607 CA 1.638 123 residues pruned to eliminate duplicates Z: 120 78.450 2.301 0.816 0.612 0.958 0.689 CA 1.615 120 residues pruned to eliminate duplicates Z: 171 82.027 2.250 0.823 0.568 0.894 0.606 CA 1.605 175 residues pruned to eliminate duplicates Z: 9 12.011 1.799 0.581 0.793 0.875 0.750 CB 1.320 9 residues pruned to eliminate duplicates Z: 124 70.524 2.259 0.734 0.609 0.927 0.610 CA 1.580 124 residues pruned to eliminate duplicates Z: 117 79.871 2.323 0.833 0.606 0.948 0.638 CA 1.661 117 residues pruned to eliminate duplicates Z: 44 31.755 2.143 0.711 0.456 0.930 0.605 CB 1.485 44 residues pruned to eliminate duplicates Z: 150 84.803 2.298 0.878 0.589 0.913 0.631 CA 1.619 150 residues pruned to eliminate duplicates Z: 45 30.031 2.129 0.689 0.430 0.909 0.364 CB 1.489 45 residues pruned to eliminate duplicates Z: 121 74.468 2.269 0.812 0.613 0.908 0.600 CA 1.636 121 residues pruned to eliminate duplicates Z: 120 85.227 2.314 0.911 0.620 0.941 0.689 CA 1.676 120 residues pruned to eliminate duplicates Z: 108 66.858 2.288 0.757 0.601 0.935 0.636 CA 1.562 108 residues pruned to eliminate duplicates Z: 102 75.151 2.287 0.857 0.673 0.911 0.614 CA 1.648 102 residues pruned to eliminate duplicates Z: 102 77.345 2.356 0.882 0.655 0.891 0.634 CA 1.687 102 residues pruned to eliminate duplicates Z: 145 91.124 2.292 0.890 0.644 0.944 0.576 CA 1.622 145 residues pruned to eliminate duplicates Z: 134 79.108 2.252 0.827 0.635 0.910 0.594 CA 1.615 134 residues pruned to eliminate duplicates Z: 184 88.086 2.256 0.791 0.589 0.907 0.689 CB 1.632 184 residues pruned to eliminate duplicates Z: 110 81.631 2.310 0.952 0.648 0.945 0.651 CA 1.599 110 residues pruned to eliminate duplicates Z: 127 84.429 2.301 0.826 0.675 0.937 0.706 CA 1.626 127 residues pruned to eliminate duplicates Z: 111 76.327 2.312 0.890 0.636 0.909 0.636 CA 1.612 111 residues pruned to eliminate duplicates Z: 108 81.012 2.367 0.899 0.663 0.916 0.617 CA 1.635 108 residues pruned to eliminate duplicates Z: 129 82.872 2.287 0.924 0.648 0.914 0.672 CA 1.587 129 residues pruned to eliminate duplicates Z: 144 81.308 2.278 0.865 0.591 0.902 0.657 CB 1.626 130 residues pruned to eliminate duplicates Z: 27 58.549 2.450 1.090 0.836 0.923 0.654 CB 1.819 27 residues pruned to eliminate duplicates Z: 109 79.890 2.344 0.871 0.654 0.907 0.611 CA 1.675 109 residues pruned to eliminate duplicates Z: 105 81.957 2.353 0.955 0.649 0.913 0.635 CA 1.665 105 residues pruned to eliminate duplicates Z: 109 81.458 2.328 0.917 0.655 0.917 0.648 CA 1.659 109 residues pruned to eliminate duplicates Z: 88 81.572 2.361 0.949 0.712 0.931 0.644 CA 1.685 88 residues pruned to eliminate duplicates Z: 131 82.356 2.266 0.948 0.650 0.900 0.631 CA 1.582 131 residues pruned to eliminate duplicates Z: 132 87.558 2.267 0.980 0.659 0.916 0.580 CA 1.605 132 residues pruned to eliminate duplicates Z: 101 85.175 2.289 1.012 0.683 0.950 0.650 CA 1.646 101 residues pruned to eliminate duplicates Z: 130 79.495 2.269 0.894 0.656 0.876 0.535 CA 1.609 130 residues pruned to eliminate duplicates Z: 78 68.906 2.261 0.874 0.692 0.961 0.506 CA 1.618 78 residues pruned to eliminate duplicates Z: 115 71.266 2.281 0.779 0.621 0.904 0.667 CA 1.624 115 residues pruned to eliminate duplicates Z: 88 74.812 2.323 0.987 0.662 0.920 0.609 CA 1.626 94 residues pruned to eliminate duplicates Z: 113 85.101 2.260 0.947 0.687 0.938 0.643 CA 1.642 113 residues pruned to eliminate duplicates Z: 131 82.441 2.263 0.875 0.653 0.915 0.600 CA 1.614 131 residues pruned to eliminate duplicates Z: 125 84.295 2.277 0.890 0.643 0.935 0.597 CA 1.645 125 residues pruned to eliminate duplicates Z: 129 81.598 2.256 0.977 0.632 0.906 0.609 CA 1.578 129 residues pruned to eliminate duplicates Z: 132 79.601 2.260 0.914 0.640 0.885 0.588 CA 1.593 132 residues pruned to eliminate duplicates Z: 177 82.563 2.206 0.821 0.583 0.898 0.625 CA 1.593 169 residues pruned to eliminate duplicates Z: 23 37.818 2.171 0.789 0.853 0.955 0.773 CA 1.607 23 residues pruned to eliminate duplicates Z: 129 78.751 2.226 0.876 0.659 0.898 0.508 CA 1.601 129 residues pruned to eliminate duplicates Z: 132 85.327 2.262 0.957 0.644 0.924 0.618 CA 1.594 132 residues pruned to eliminate duplicates Z: 136 83.302 2.241 0.954 0.626 0.911 0.585 CA 1.596 136 residues pruned to eliminate duplicates Z: 111 78.849 2.338 0.921 0.651 0.918 0.636 CA 1.583 111 residues pruned to eliminate duplicates Z: 109 75.423 2.337 0.902 0.652 0.880 0.620 CA 1.611 109 residues pruned to eliminate duplicates Z: 99 80.401 2.305 0.942 0.691 0.929 0.612 CA 1.641 99 residues pruned to eliminate duplicates Z: 97 80.807 2.306 0.994 0.700 0.906 0.656 CA 1.649 97 residues pruned to eliminate duplicates Z: 129 85.014 2.275 0.929 0.659 0.906 0.531 CA 1.631 129 residues pruned to eliminate duplicates Z: 102 77.287 2.286 0.963 0.664 0.921 0.673 CA 1.599 102 residues pruned to eliminate duplicates Z: 128 87.219 2.257 0.972 0.662 0.913 0.591 CA 1.638 128 residues pruned to eliminate duplicates Z: 92 73.513 2.327 0.849 0.672 0.934 0.615 CA 1.637 92 residues pruned to eliminate duplicates Z: 87 72.074 2.336 0.962 0.670 0.907 0.640 CA 1.598 87 residues pruned to eliminate duplicates Z: 125 89.601 2.295 0.953 0.661 0.944 0.661 CA 1.638 125 residues pruned to eliminate duplicates Z: 121 80.758 2.267 0.907 0.667 0.900 0.592 CA 1.623 121 residues pruned to eliminate duplicates Z: 131 87.388 2.279 0.996 0.647 0.908 0.631 CA 1.618 131 residues pruned to eliminate duplicates Z: 96 71.949 2.320 0.941 0.624 0.937 0.600 CA 1.557 96 residues pruned to eliminate duplicates Z: 130 89.332 2.280 0.975 0.663 0.922 0.674 CA 1.628 130 residues pruned to eliminate duplicates Z: 110 82.074 2.341 0.902 0.655 0.936 0.596 CA 1.632 110 residues pruned to eliminate duplicates Z: 131 87.906 2.268 0.963 0.655 0.931 0.531 CA 1.611 131 residues pruned to eliminate duplicates Z: 102 78.283 2.286 0.900 0.679 0.941 0.634 CA 1.616 102 residues pruned to eliminate duplicates Z: 110 81.982 2.259 0.969 0.682 0.936 0.642 CA 1.597 110 residues pruned to eliminate duplicates Z: 136 84.275 2.241 0.907 0.627 0.919 0.511 CA 1.639 136 residues pruned to eliminate duplicates Z: 108 81.822 2.302 1.000 0.642 0.879 0.561 CA 1.713 108 residues pruned to eliminate duplicates Z: 114 89.467 2.337 0.987 0.655 0.929 0.549 CA 1.688 114 residues pruned to eliminate duplicates Z: 100 87.665 2.298 1.070 0.707 0.929 0.545 CA 1.651 100 residues pruned to eliminate duplicates Z: 114 77.120 2.234 1.010 0.637 0.894 0.549 CB 1.589 114 residues pruned to eliminate duplicates Z: 102 81.311 2.266 1.015 0.660 0.921 0.564 CA 1.658 102 residues pruned to eliminate duplicates Z: 101 79.963 2.275 0.973 0.681 0.930 0.600 CA 1.622 101 residues pruned to eliminate duplicates Z: 134 83.837 2.251 0.960 0.634 0.910 0.586 CA 1.597 134 residues pruned to eliminate duplicates Z: 129 80.514 2.298 0.853 0.610 0.914 0.555 CA 1.648 129 residues pruned to eliminate duplicates Z: 82 82.197 2.382 1.001 0.711 0.938 0.617 CA 1.686 82 residues pruned to eliminate duplicates Z: 53 49.209 2.274 0.909 0.604 0.923 0.519 CB 1.542 53 residues pruned to eliminate duplicates Z: 79 80.091 2.377 1.041 0.694 0.910 0.615 CA 1.720 79 residues pruned to eliminate duplicates Z: 110 81.586 2.336 0.936 0.657 0.899 0.596 CA 1.661 110 residues pruned to eliminate duplicates Z: 129 86.953 2.274 0.901 0.652 0.938 0.555 CA 1.646 129 residues pruned to eliminate duplicates Z: 44 33.380 2.163 0.851 0.518 0.884 0.535 CA 1.414 44 residues pruned to eliminate duplicates Z: 126 81.285 2.257 0.932 0.645 0.904 0.560 CA 1.612 126 residues pruned to eliminate duplicates Z: 168 85.649 2.208 0.871 0.613 0.910 0.605 CB 1.584 173 residues pruned to eliminate duplicates Z: 7 4.733 1.574 0.644 0.360 0.833 0.333 CB 1.043 7 residues pruned to eliminate duplicates Z: 119 78.664 2.279 0.912 0.638 0.881 0.559 CB 1.657 119 residues pruned to eliminate duplicates Z: 131 82.430 2.236 0.935 0.633 0.923 0.562 CA 1.597 131 residues pruned to eliminate duplicates Z: 36 33.186 2.188 0.905 0.526 0.886 0.514 CB 1.481 36 residues pruned to eliminate duplicates Z: 32 22.920 2.105 0.621 0.551 0.839 0.484 CB 1.368 32 residues pruned to eliminate duplicates Z: 32 29.249 2.217 0.976 0.502 0.806 0.548 CA 1.484 32 residues pruned to eliminate duplicates Z: 109 82.972 2.325 0.963 0.640 0.917 0.583 CB 1.674 109 residues pruned to eliminate duplicates Z: 131 84.209 2.269 0.948 0.638 0.892 0.554 CA 1.646 131 residues pruned to eliminate duplicates Z: 25 21.453 2.103 0.717 0.532 0.875 0.542 CB 1.342 25 residues pruned to eliminate duplicates Z: 58 45.781 2.175 0.950 0.529 0.912 0.596 CB 1.522 58 residues pruned to eliminate duplicates Z: 26 31.643 2.224 0.852 0.583 0.920 0.440 CB 1.543 26 residues pruned to eliminate duplicates Z: 10 20.296 2.125 1.063 0.796 0.889 0.444 CB 1.340 10 residues pruned to eliminate duplicates Z: 26 33.554 2.277 1.095 0.566 0.840 0.440 CB 1.572 26 residues pruned to eliminate duplicates Z: 36 26.903 2.192 0.793 0.520 0.857 0.486 CB 1.323 36 residues pruned to eliminate duplicates Z: 32 31.337 2.148 0.824 0.518 0.903 0.516 CA 1.562 32 residues pruned to eliminate duplicates Z: 32 34.642 2.196 1.066 0.555 0.806 0.484 CB 1.612 32 residues pruned to eliminate duplicates Z: 30 40.806 2.265 1.121 0.584 0.931 0.241 CB 1.563 30 residues pruned to eliminate duplicates Z: 128 83.175 2.283 0.953 0.620 0.913 0.551 CB 1.618 128 residues pruned to eliminate duplicates Z: 25 23.031 2.131 0.990 0.321 0.875 0.458 CA 1.543 25 residues pruned to eliminate duplicates Z: 124 72.011 2.243 0.862 0.604 0.870 0.602 CA 1.619 124 residues pruned to eliminate duplicates Z: 133 79.298 2.236 0.982 0.608 0.879 0.500 CB 1.599 133 residues pruned to eliminate duplicates Z: 29 32.576 2.255 0.897 0.599 0.857 0.571 CB 1.527 29 residues pruned to eliminate duplicates Z: 30 28.091 2.197 0.925 0.575 0.793 0.448 CB 1.446 30 residues pruned to eliminate duplicates Z: 110 78.074 2.321 0.880 0.640 0.908 0.532 CA 1.655 110 residues pruned to eliminate duplicates Z: 37 29.425 2.206 0.808 0.536 0.833 0.583 CB 1.425 37 residues pruned to eliminate duplicates Z: 30 17.846 2.009 0.471 0.394 0.793 0.517 CA 1.582 30 residues pruned to eliminate duplicates Z: 32 31.087 2.207 0.841 0.542 0.871 0.452 CA 1.515 32 residues pruned to eliminate duplicates Z: 40 27.753 2.094 0.989 0.494 0.769 0.513 CB 1.396 40 residues pruned to eliminate duplicates Z: 107 82.810 2.341 0.935 0.672 0.915 0.557 CA 1.656 107 residues pruned to eliminate duplicates Z: 109 75.341 2.304 0.949 0.624 0.880 0.546 CA 1.632 109 residues pruned to eliminate duplicates Z: 92 53.533 2.209 0.733 0.524 0.901 0.527 CB 1.589 93 residues pruned to eliminate duplicates Z: 15 31.347 2.280 1.036 0.661 0.929 0.714 CA 1.675 15 residues pruned to eliminate duplicates Z: 49 41.859 2.309 0.825 0.482 0.896 0.583 CA 1.630 57 residues pruned to eliminate duplicates Z: 15 28.024 2.024 0.991 0.811 0.929 0.643 CA 1.527 15 residues pruned to eliminate duplicates Z: 66 43.748 2.251 0.698 0.505 0.908 0.585 CB 1.556 33 residues pruned to eliminate duplicates Z: 12 39.382 2.358 1.187 0.866 1.000 0.727 CA 1.686 12 residues pruned to eliminate duplicates Z: 47 41.028 2.246 0.653 0.536 0.957 0.630 CA 1.643 47 residues pruned to eliminate duplicates Z: 67 46.095 2.230 0.781 0.496 0.924 0.652 CB 1.552 67 residues pruned to eliminate duplicates Z: 85 58.185 2.237 0.832 0.556 0.917 0.631 CA 1.601 85 residues pruned to eliminate duplicates Z: 45 42.379 2.296 0.706 0.550 0.955 0.614 CA 1.627 45 residues pruned to eliminate duplicates Z: 173 98.770 2.276 0.920 0.636 0.930 0.645 CA 1.631 173 residues pruned to eliminate duplicates Z: 57 43.102 2.217 0.679 0.563 0.946 0.589 CB 1.538 57 residues pruned to eliminate duplicates Z: 67 44.486 2.187 0.714 0.500 0.955 0.667 CB 1.531 67 residues pruned to eliminate duplicates Z: 82 41.680 2.134 0.673 0.488 0.864 0.593 CB 1.519 82 residues pruned to eliminate duplicates Z: 46 47.690 2.318 0.876 0.550 0.933 0.644 CA 1.668 46 residues pruned to eliminate duplicates Z: 179 92.265 2.290 0.812 0.604 0.910 0.596 CA 1.658 179 residues pruned to eliminate duplicates Z: 7 4.163 1.760 0.798 0.289 0.500 0.500 CB 1.361 7 residues pruned to eliminate duplicates Z: 66 44.750 2.205 0.663 0.528 0.938 0.646 CB 1.569 67 residues pruned to eliminate duplicates Z: 6 8.471 2.003 0.621 0.589 0.800 0.800 CA 1.339 6 residues pruned to eliminate duplicates Z: 68 47.654 2.230 0.648 0.541 0.955 0.687 CB 1.593 68 residues pruned to eliminate duplicates Z: 67 46.406 2.239 0.662 0.525 0.955 0.712 CB 1.568 67 residues pruned to eliminate duplicates Z: 6 3.367 1.542 0.610 0.349 1.000 0.800 CA 0.714 6 residues pruned to eliminate duplicates Z: 150 93.063 2.336 0.911 0.610 0.913 0.611 CA 1.686 150 residues pruned to eliminate duplicates Z: 83 52.757 2.245 0.773 0.514 0.890 0.646 CB 1.622 83 residues pruned to eliminate duplicates Z: 67 47.153 2.229 0.694 0.501 0.955 0.636 CB 1.609 67 residues pruned to eliminate duplicates Z: 59 31.666 2.089 0.513 0.510 0.931 0.603 CB 1.398 59 residues pruned to eliminate duplicates Z: 67 46.237 2.238 0.667 0.527 0.955 0.697 CB 1.557 67 residues pruned to eliminate duplicates Z: 88 45.163 2.129 0.693 0.464 0.897 0.552 CB 1.555 88 residues pruned to eliminate duplicates Z: 60 43.097 2.195 0.792 0.513 0.915 0.525 CB 1.538 60 residues pruned to eliminate duplicates Z: 71 47.882 2.180 0.744 0.505 0.971 0.671 CB 1.542 68 residues pruned to eliminate duplicates Z: 13 30.006 2.250 0.869 0.832 1.000 0.667 CA 1.546 13 residues pruned to eliminate duplicates Z: 66 48.621 2.217 0.784 0.545 0.954 0.615 CB 1.529 66 residues pruned to eliminate duplicates Z: 100 52.274 2.219 0.797 0.494 0.859 0.545 CB 1.544 100 residues pruned to eliminate duplicates Z: 68 49.332 2.197 0.847 0.532 0.881 0.582 CB 1.635 70 residues pruned to eliminate duplicates Z: 14 25.939 2.247 0.926 0.709 0.923 0.615 CA 1.489 14 residues pruned to eliminate duplicates Z: 66 43.279 2.231 0.650 0.522 0.923 0.631 CB 1.546 66 residues pruned to eliminate duplicates Z: 69 45.443 2.197 0.800 0.511 0.912 0.647 CB 1.512 69 residues pruned to eliminate duplicates Z: 19 13.585 1.981 0.645 0.491 0.833 0.556 CB 1.190 19 residues pruned to eliminate duplicates Z: 11 8.860 1.541 0.584 0.615 0.900 0.800 CA 1.144 11 residues pruned to eliminate duplicates Z: 21 10.552 1.981 0.441 0.303 0.800 0.400 CB 1.286 21 residues pruned to eliminate duplicates Z: 61 40.153 2.200 0.760 0.459 0.933 0.600 CB 1.497 61 residues pruned to eliminate duplicates Z: 72 45.618 2.137 0.840 0.489 0.915 0.690 CB 1.521 72 residues pruned to eliminate duplicates Z: 26 17.133 2.014 0.544 0.423 0.840 0.680 CB 1.421 26 residues pruned to eliminate duplicates Z: 98 46.448 2.158 0.653 0.511 0.856 0.660 CB 1.528 98 residues pruned to eliminate duplicates Z: 25 18.326 2.086 0.469 0.427 1.000 0.542 CB 1.317 25 residues pruned to eliminate duplicates Z: 46 32.605 2.188 0.782 0.489 0.867 0.533 CB 1.456 46 residues pruned to eliminate duplicates Z: 31 15.487 1.962 0.495 0.349 0.867 0.600 CB 1.311 31 residues pruned to eliminate duplicates Z: 182 93.065 2.274 0.830 0.609 0.912 0.630 CB 1.645 182 residues pruned to eliminate duplicates Z: 168 78.761 2.196 0.800 0.575 0.904 0.545 CB 1.586 168 residues pruned to eliminate duplicates Z: 69 46.067 2.208 0.818 0.502 0.868 0.544 CB 1.600 69 residues pruned to eliminate duplicates Z: 71 42.009 2.160 0.650 0.489 0.943 0.571 CB 1.511 71 residues pruned to eliminate duplicates Z: 62 42.361 2.227 0.731 0.533 0.902 0.672 CB 1.510 62 residues pruned to eliminate duplicates Z: 97 53.267 2.196 0.774 0.520 0.917 0.625 CB 1.492 97 residues pruned to eliminate duplicates Z: 158 88.924 2.296 0.883 0.566 0.936 0.624 CB 1.644 158 residues pruned to eliminate duplicates Z: 81 45.807 2.144 0.804 0.500 0.913 0.637 CB 1.451 81 residues pruned to eliminate duplicates Z: 193 94.581 2.244 0.919 0.577 0.911 0.604 CA 1.615 191 residues pruned to eliminate duplicates Z: 9 16.179 2.080 0.349 0.853 1.000 0.625 CB 1.508 9 residues pruned to eliminate duplicates Z: 158 80.868 2.210 0.816 0.586 0.917 0.643 CB 1.616 158 residues pruned to eliminate duplicates Z: 16 12.067 1.941 0.383 0.709 0.933 0.800 CB 1.029 16 residues pruned to eliminate duplicates Z: 9 9.453 1.914 0.891 0.501 0.750 0.500 CB 1.229 9 residues pruned to eliminate duplicates Z: 28 18.621 1.845 0.729 0.604 0.926 0.519 CB 1.099 28 residues pruned to eliminate duplicates Z: 23 17.729 1.830 0.861 0.669 0.955 0.500 CB 0.994 23 residues pruned to eliminate duplicates Z: 22 21.055 1.908 0.818 0.652 1.000 0.524 CB 1.150 22 residues pruned to eliminate duplicates Z: 69 33.269 1.920 0.450 0.640 0.971 0.603 CB 1.309 69 residues pruned to eliminate duplicates Z: 119 36.689 1.879 0.481 0.553 0.907 0.483 CB 1.271 119 residues pruned to eliminate duplicates Z: 89 37.948 1.925 0.682 0.591 0.909 0.523 CB 1.260 89 residues pruned to eliminate duplicates Z: 6 5.266 1.755 0.469 0.297 0.800 0.200 CB 1.433 6 residues pruned to eliminate duplicates Z: 18 12.938 1.854 0.711 0.536 0.765 0.529 CB 1.249 18 residues pruned to eliminate duplicates Z: 46 31.076 1.969 0.737 0.589 0.956 0.533 CB 1.302 46 residues pruned to eliminate duplicates Z: 36 16.269 1.911 0.765 0.455 0.800 0.486 CB 1.067 36 residues pruned to eliminate duplicates Z: 34 21.882 1.977 0.739 0.523 0.879 0.576 CB 1.233 34 residues pruned to eliminate duplicates Z: 17 16.844 1.941 0.685 0.585 0.875 0.625 CB 1.356 17 residues pruned to eliminate duplicates Z: 30 20.716 1.944 0.641 0.558 0.897 0.586 CB 1.271 30 residues pruned to eliminate duplicates Z: 31 21.459 1.946 0.668 0.586 0.833 0.600 CB 1.334 31 residues pruned to eliminate duplicates Z: 37 18.795 1.920 0.641 0.497 0.861 0.444 CB 1.158 37 residues pruned to eliminate duplicates Z: 35 25.784 1.982 0.940 0.550 0.853 0.500 CB 1.284 35 residues pruned to eliminate duplicates Z: 37 23.370 1.933 0.865 0.534 0.806 0.444 CB 1.297 37 residues pruned to eliminate duplicates Z: 30 23.223 1.961 0.842 0.558 0.828 0.483 CB 1.364 30 residues pruned to eliminate duplicates Z: 31 23.083 1.963 0.696 0.601 0.867 0.433 CB 1.326 31 residues pruned to eliminate duplicates Z: 37 19.315 1.948 0.601 0.533 0.833 0.500 CB 1.200 37 residues pruned to eliminate duplicates Z: 22 18.228 1.950 0.434 0.585 0.905 0.667 CB 1.450 22 residues pruned to eliminate duplicates Z: 35 22.148 1.990 0.754 0.534 0.882 0.559 CB 1.193 35 residues pruned to eliminate duplicates Z: 20 16.836 1.967 0.761 0.472 0.895 0.632 CB 1.282 20 residues pruned to eliminate duplicates Z: 30 23.699 1.993 0.754 0.624 0.828 0.552 CB 1.354 30 residues pruned to eliminate duplicates Z: 21 18.083 1.979 0.574 0.556 0.850 0.500 CB 1.445 21 residues pruned to eliminate duplicates Z: 24 19.550 1.893 0.557 0.530 0.913 0.565 CB 1.471 24 residues pruned to eliminate duplicates Z: 23 15.510 1.886 0.371 0.506 0.909 0.409 CB 1.398 23 residues pruned to eliminate duplicates Z: 29 17.243 1.918 0.611 0.522 0.893 0.429 CB 1.156 29 residues pruned to eliminate duplicates Z: 23 18.606 1.957 0.513 0.536 0.909 0.500 CB 1.421 23 residues pruned to eliminate duplicates Z: 13 12.394 1.971 0.416 0.431 0.833 0.667 CA 1.651 13 residues pruned to eliminate duplicates Z: 16 8.300 1.864 0.240 0.311 0.867 0.267 CB 1.319 16 residues pruned to eliminate duplicates Z: 27 26.956 2.242 0.598 0.475 0.923 0.462 CB 1.640 27 residues pruned to eliminate duplicates Z: 57 33.143 2.080 0.766 0.492 0.857 0.589 CB 1.418 57 residues pruned to eliminate duplicates Z: 26 31.098 2.252 0.747 0.497 0.960 0.400 CB 1.652 26 residues pruned to eliminate duplicates Z: 24 36.171 2.342 0.893 0.532 0.957 0.696 CB 1.724 24 residues pruned to eliminate duplicates Z: 30 22.707 2.155 0.629 0.474 0.828 0.552 CB 1.490 30 residues pruned to eliminate duplicates Z: 21 33.321 2.403 0.600 0.591 0.950 0.600 CB 1.870 21 residues pruned to eliminate duplicates Z: 31 26.542 2.190 0.694 0.455 0.933 0.533 CB 1.466 31 residues pruned to eliminate duplicates Z: 24 34.877 2.346 0.899 0.507 0.913 0.565 CA 1.775 24 residues pruned to eliminate duplicates Z: 29 29.243 2.214 0.662 0.457 1.000 0.464 CB 1.569 29 residues pruned to eliminate duplicates Z: 24 33.034 2.333 0.763 0.538 0.957 0.696 CB 1.687 24 residues pruned to eliminate duplicates Z: 31 30.324 2.219 0.850 0.464 0.900 0.533 CB 1.554 31 residues pruned to eliminate duplicates Z: 31 27.904 2.170 0.765 0.453 0.900 0.667 CB 1.552 31 residues pruned to eliminate duplicates Z: 29 27.071 2.169 0.705 0.444 0.893 0.607 CB 1.641 29 residues pruned to eliminate duplicates Z: 26 30.053 2.250 0.837 0.483 0.880 0.600 CB 1.681 26 residues pruned to eliminate duplicates Z: 25 30.683 2.283 0.683 0.513 0.917 0.500 CA 1.754 25 residues pruned to eliminate duplicates Z: 43 27.590 2.107 0.682 0.479 0.881 0.571 CB 1.392 43 residues pruned to eliminate duplicates Z: 25 32.743 2.293 0.802 0.511 0.958 0.708 CB 1.670 25 residues pruned to eliminate duplicates Z: 24 29.207 2.345 0.550 0.547 0.913 0.783 CA 1.753 24 residues pruned to eliminate duplicates Z: 26 29.373 2.259 0.802 0.500 0.880 0.680 CB 1.640 26 residues pruned to eliminate duplicates Z: 23 34.036 2.326 0.686 0.581 0.955 0.682 CA 1.793 23 residues pruned to eliminate duplicates Z: 26 22.938 2.198 0.480 0.502 0.880 0.680 CB 1.599 26 residues pruned to eliminate duplicates Z: 12 11.368 2.008 0.543 0.331 0.818 0.364 N 1.626 12 residues pruned to eliminate duplicates Z: 60 31.078 1.990 0.547 0.516 0.898 0.576 CB 1.439 37 residues pruned to eliminate duplicates Z: 6 2.622 1.705 0.855 0.285 0.600 0.200 CB 0.787 6 residues pruned to eliminate duplicates Z: 42 27.383 2.050 0.794 0.451 0.878 0.561 CB 1.392 42 residues pruned to eliminate duplicates Z: 19 9.634 1.734 0.481 0.446 0.889 0.444 CB 1.051 29 residues pruned to eliminate duplicates Z: 41 23.080 1.830 0.519 0.619 0.975 0.575 CB 1.202 41 residues pruned to eliminate duplicates Z: 43 21.789 1.828 0.505 0.603 0.905 0.548 CB 1.225 43 residues pruned to eliminate duplicates Z: 13 6.604 1.750 0.181 0.342 0.833 0.500 CB 1.315 13 residues pruned to eliminate duplicates Z: 15 9.268 1.764 0.327 0.578 0.929 0.429 CB 1.058 15 residues pruned to eliminate duplicates Z: 33 18.679 1.863 0.451 0.524 0.906 0.531 CB 1.317 33 residues pruned to eliminate duplicates Z: 36 16.117 1.718 0.506 0.520 0.829 0.486 CB 1.246 36 residues pruned to eliminate duplicates Z: 56 29.971 2.032 0.535 0.559 0.891 0.636 CB 1.374 56 residues pruned to eliminate duplicates Z: 44 23.219 1.811 0.600 0.596 0.907 0.488 CB 1.229 44 residues pruned to eliminate duplicates Z: 26 26.159 1.961 0.626 0.672 1.000 0.640 CB 1.400 26 residues pruned to eliminate duplicates Z: 65 27.028 1.929 0.550 0.563 0.828 0.422 CB 1.283 65 residues pruned to eliminate duplicates Z: 27 23.058 1.919 0.579 0.668 0.923 0.500 CB 1.384 27 residues pruned to eliminate duplicates Z: 106 37.010 1.865 0.490 0.631 0.895 0.552 CB 1.283 106 residues pruned to eliminate duplicates Z: 25 20.691 1.959 0.547 0.661 0.917 0.583 CB 1.310 25 residues pruned to eliminate duplicates Z: 60 31.621 2.014 0.705 0.489 0.864 0.492 CB 1.403 60 residues pruned to eliminate duplicates Z: 30 23.784 1.946 0.716 0.609 0.897 0.448 CB 1.330 30 residues pruned to eliminate duplicates Z: 26 28.358 1.958 0.746 0.703 1.000 0.720 CB 1.379 26 residues pruned to eliminate duplicates Z: 31 21.988 1.886 0.612 0.568 0.933 0.467 CB 1.324 31 residues pruned to eliminate duplicates Z: 43 19.184 1.766 0.504 0.533 0.810 0.429 CB 1.332 43 residues pruned to eliminate duplicates Z: 102 36.612 1.884 0.510 0.628 0.891 0.584 CB 1.274 102 residues pruned to eliminate duplicates Z: 39 18.322 1.742 0.702 0.502 0.789 0.500 CB 1.267 39 residues pruned to eliminate duplicates Z: 40 24.229 1.890 0.563 0.606 0.897 0.538 CB 1.324 40 residues pruned to eliminate duplicates Z: 31 20.897 1.851 0.623 0.587 0.900 0.333 CB 1.298 31 residues pruned to eliminate duplicates Z: 53 25.730 1.822 0.515 0.615 0.942 0.462 CB 1.230 53 residues pruned to eliminate duplicates Z: 38 21.135 1.851 0.453 0.668 0.865 0.649 CB 1.279 38 residues pruned to eliminate duplicates Z: 40 22.580 1.847 0.551 0.643 0.897 0.590 CB 1.230 40 residues pruned to eliminate duplicates Z: 48 27.212 1.869 0.496 0.714 0.936 0.574 CB 1.248 48 residues pruned to eliminate duplicates Z: 97 38.955 1.886 0.509 0.653 0.948 0.604 CB 1.278 97 residues pruned to eliminate duplicates Z: 19 11.357 1.770 0.288 0.605 0.889 0.333 CB 1.195 19 residues pruned to eliminate duplicates Z: 35 23.270 1.814 0.552 0.651 0.941 0.441 CB 1.309 35 residues pruned to eliminate duplicates Z: 13 9.374 1.771 0.442 0.564 0.833 0.333 CB 1.196 13 residues pruned to eliminate duplicates Z: 74 38.154 1.880 0.532 0.674 0.959 0.671 CB 1.377 74 residues pruned to eliminate duplicates Z: 54 28.518 1.843 0.594 0.628 0.925 0.528 CB 1.279 54 residues pruned to eliminate duplicates Z: 52 25.104 1.837 0.525 0.671 0.863 0.569 CB 1.242 52 residues pruned to eliminate duplicates Z: 64 35.750 2.005 0.743 0.573 0.873 0.540 CB 1.375 64 residues pruned to eliminate duplicates Z: 11 15.793 1.776 0.640 0.921 1.000 0.600 CA 1.206 11 residues pruned to eliminate duplicates Z: 56 26.681 1.862 0.407 0.655 0.909 0.600 CB 1.308 56 residues pruned to eliminate duplicates Z: 70 30.429 1.916 0.554 0.575 0.870 0.435 CB 1.316 70 residues pruned to eliminate duplicates Z: 90 37.385 1.879 0.535 0.654 0.910 0.584 CB 1.308 90 residues pruned to eliminate duplicates Z: 9 7.148 1.768 -0.060 0.692 0.875 0.500 CA 1.459 9 residues pruned to eliminate duplicates Z: 51 22.345 1.812 0.507 0.575 0.860 0.520 CB 1.252 51 residues pruned to eliminate duplicates Z: 113 45.883 2.000 0.579 0.578 0.902 0.598 CB 1.412 113 residues pruned to eliminate duplicates Z: 40 26.181 1.936 0.281 0.775 0.949 0.795 CB 1.397 40 residues pruned to eliminate duplicates Z: 87 33.819 1.865 0.436 0.639 0.907 0.581 CB 1.318 87 residues pruned to eliminate duplicates Z: 32 24.581 1.928 0.332 0.767 0.935 0.774 CA 1.450 32 residues pruned to eliminate duplicates Z: 67 30.251 1.927 0.478 0.632 0.848 0.621 CB 1.361 67 residues pruned to eliminate duplicates Z: 30 26.103 2.019 0.299 0.835 0.931 0.793 CA 1.487 30 residues pruned to eliminate duplicates Z: 96 37.087 1.894 0.481 0.628 0.926 0.684 CB 1.298 96 residues pruned to eliminate duplicates Z: 42 25.338 1.899 0.342 0.694 0.927 0.707 CB 1.403 42 residues pruned to eliminate duplicates Z: 99 37.225 1.918 0.447 0.613 0.918 0.602 CB 1.326 99 residues pruned to eliminate duplicates Z: 76 30.515 1.859 0.502 0.600 0.920 0.587 CB 1.248 76 residues pruned to eliminate duplicates Z: 68 29.779 1.862 0.474 0.619 0.881 0.612 CB 1.346 68 residues pruned to eliminate duplicates Z: 75 33.810 1.938 0.482 0.637 0.905 0.608 CB 1.330 75 residues pruned to eliminate duplicates Z: 50 24.287 1.881 0.553 0.588 0.878 0.592 CB 1.243 50 residues pruned to eliminate duplicates Z: 79 33.422 1.911 0.645 0.558 0.885 0.564 CB 1.286 79 residues pruned to eliminate duplicates Z: 57 31.417 1.934 0.439 0.653 1.000 0.607 CB 1.309 57 residues pruned to eliminate duplicates Z: 92 39.780 1.932 0.666 0.577 0.890 0.626 CB 1.351 92 residues pruned to eliminate duplicates Z: 30 27.968 1.987 0.489 0.764 0.931 0.724 CB 1.491 30 residues pruned to eliminate duplicates Z: 70 32.240 1.922 0.498 0.659 0.899 0.638 CB 1.295 70 residues pruned to eliminate duplicates Z: 50 30.670 1.914 0.576 0.641 0.939 0.633 CB 1.355 50 residues pruned to eliminate duplicates Z: 49 29.492 1.892 0.431 0.682 0.979 0.604 CB 1.359 49 residues pruned to eliminate duplicates Z: 31 20.859 1.856 0.550 0.593 0.900 0.667 CB 1.345 31 residues pruned to eliminate duplicates Z: 58 31.221 1.910 0.545 0.635 0.930 0.596 CB 1.328 58 residues pruned to eliminate duplicates Z: 57 29.288 1.910 0.482 0.645 0.911 0.625 CB 1.326 57 residues pruned to eliminate duplicates Z: 92 38.891 1.899 0.506 0.636 0.945 0.549 CB 1.328 92 residues pruned to eliminate duplicates Z: 79 34.100 1.925 0.590 0.564 0.936 0.590 CB 1.267 79 residues pruned to eliminate duplicates Z: 82 37.566 1.877 0.665 0.607 0.938 0.556 CB 1.287 60 residues pruned to eliminate duplicates Z: 20 25.903 1.907 0.802 0.833 0.947 0.526 CA 1.369 20 residues pruned to eliminate duplicates Z: 91 39.453 1.944 0.560 0.610 0.944 0.644 CB 1.308 79 residues pruned to eliminate duplicates Z: 20 22.968 1.923 0.624 0.841 0.947 0.474 CB 1.328 20 residues pruned to eliminate duplicates Z: 93 38.462 1.900 0.553 0.626 0.935 0.478 CB 1.291 57 residues pruned to eliminate duplicates Z: 20 21.381 1.960 0.507 0.818 0.947 0.684 CB 1.330 20 residues pruned to eliminate duplicates Z: 68 26.035 1.909 0.518 0.545 0.836 0.567 CB 1.257 68 residues pruned to eliminate duplicates Z: 29 17.213 1.764 0.548 0.538 0.929 0.607 CB 1.236 29 residues pruned to eliminate duplicates Z: 61 28.489 1.872 0.519 0.625 0.933 0.667 CB 1.232 61 residues pruned to eliminate duplicates Z: 27 18.360 1.825 0.733 0.547 0.923 0.577 CB 1.178 27 residues pruned to eliminate duplicates Z: 91 38.188 1.954 0.572 0.621 0.900 0.578 CB 1.299 91 residues pruned to eliminate duplicates Z: 58 29.859 1.887 0.592 0.634 0.912 0.544 CB 1.273 58 residues pruned to eliminate duplicates Z: 50 31.770 1.936 0.541 0.687 0.959 0.633 CB 1.337 50 residues pruned to eliminate duplicates Z: 14 10.562 1.762 0.468 0.544 0.923 0.385 CB 1.174 14 residues pruned to eliminate duplicates Z: 122 42.143 1.927 0.589 0.604 0.884 0.529 CB 1.281 122 residues pruned to eliminate duplicates Z: 19 15.110 1.930 0.765 0.586 0.889 0.556 CB 1.083 19 residues pruned to eliminate duplicates Z: 94 35.954 1.841 0.640 0.671 0.903 0.570 CB 1.167 94 residues pruned to eliminate duplicates Z: 57 35.397 1.949 0.668 0.663 0.964 0.661 CB 1.298 57 residues pruned to eliminate duplicates Z: 47 30.488 1.998 0.801 0.571 0.870 0.543 CB 1.342 47 residues pruned to eliminate duplicates Z: 21 21.395 1.951 0.875 0.631 0.950 0.550 CB 1.218 21 residues pruned to eliminate duplicates Z: 38 39.204 2.199 0.880 0.620 0.919 0.703 CA 1.514 38 residues pruned to eliminate duplicates Z: 31 30.694 2.201 0.706 0.494 0.933 0.700 CA 1.608 31 residues pruned to eliminate duplicates Z: 30 28.484 2.039 0.735 0.526 0.966 0.655 CA 1.509 31 residues pruned to eliminate duplicates Z: 10 17.309 1.999 0.647 0.897 1.000 0.889 CA 1.254 10 residues pruned to eliminate duplicates Z: 19 16.864 1.973 0.517 0.596 0.944 0.611 CB 1.283 19 residues pruned to eliminate duplicates Z: 56 34.116 2.044 0.538 0.573 0.945 0.636 CB 1.443 56 residues pruned to eliminate duplicates Z: 44 35.353 2.174 0.705 0.541 0.930 0.628 CB 1.503 44 residues pruned to eliminate duplicates Z: 46 39.331 2.101 0.938 0.524 0.933 0.533 CB 1.507 46 residues pruned to eliminate duplicates Z: 45 38.894 2.113 0.773 0.549 0.977 0.568 CA 1.527 44 residues pruned to eliminate duplicates Z: 10 21.036 2.036 0.797 0.905 1.000 1.000 CA 1.364 10 residues pruned to eliminate duplicates Z: 42 33.823 2.086 0.834 0.523 0.927 0.634 CB 1.457 41 residues pruned to eliminate duplicates Z: 11 23.766 2.104 0.927 0.855 1.000 0.600 CA 1.368 11 residues pruned to eliminate duplicates Z: 42 44.699 2.219 0.847 0.594 0.976 0.659 CB 1.596 42 residues pruned to eliminate duplicates Z: 45 40.978 2.151 0.812 0.548 0.977 0.705 CB 1.547 45 residues pruned to eliminate duplicates Z: 20 20.448 1.957 0.791 0.550 1.000 0.526 CA 1.275 20 residues pruned to eliminate duplicates Z: 43 43.287 2.161 0.875 0.595 0.976 0.690 CB 1.542 43 residues pruned to eliminate duplicates Z: 43 38.557 2.163 0.728 0.586 0.976 0.690 CB 1.502 43 residues pruned to eliminate duplicates Z: 41 33.727 2.126 0.844 0.543 0.875 0.675 CB 1.490 41 residues pruned to eliminate duplicates Z: 49 24.747 1.965 0.641 0.442 0.896 0.562 CB 1.312 49 residues pruned to eliminate duplicates Z: 53 36.994 2.099 0.698 0.564 0.942 0.596 CB 1.435 53 residues pruned to eliminate duplicates Z: 11 7.268 1.665 0.486 0.556 0.800 0.800 CB 1.099 6 residues pruned to eliminate duplicates Z: 9 6.635 1.791 0.165 0.656 0.875 0.375 CB 1.112 9 residues pruned to eliminate duplicates Z: 23 8.222 1.699 0.364 0.365 1.000 0.364 CB 0.875 14 residues pruned to eliminate duplicates Z: 10 7.012 1.638 0.741 0.715 0.556 0.444 CB 1.214 10 residues pruned to eliminate duplicates Z: 13 7.836 1.723 0.298 0.464 0.833 0.417 CB 1.259 12 residues pruned to eliminate duplicates Z: 10 12.147 1.628 0.624 0.760 1.000 0.333 CB 1.215 9 residues pruned to eliminate duplicates Z: 11 11.121 1.557 0.573 0.738 0.900 0.200 CB 1.289 11 residues pruned to eliminate duplicates Z: 15 8.154 1.610 0.412 0.402 0.857 0.357 CB 1.239 15 residues pruned to eliminate duplicates Z: 24 10.539 1.622 0.606 0.344 1.000 0.348 CB 1.001 25 residues pruned to eliminate duplicates 734 residues left after pruning, divided into chains as follows: A: 20 B: 10 C: 6 D: 136 E: 32 F: 345 G: 93 H: 74 I: 9 J: 9 CC for partial structure against native data = 38.58 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.564, Connect. = 0.722 for dens.mod. cycle 1 = 0.300, Contrast = 0.646, Connect. = 0.751 for dens.mod. cycle 2 = 0.300, Contrast = 0.786, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.806, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.825, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.832, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.839, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.840, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.843, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.842, Connect. = 0.789 for dens.mod. cycle 10 TimeTaking 467.4