null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:31:35 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.ins Phases from ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.phi Native data from ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.hkl Listing output to ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.lst Phases output to ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.phs Poly-Ala trace output to ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 1 2 1 Allowed origin shift code: 3 38894 Reflections read from file ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.phi 38894 Reflections read from file ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.hkl 38894 Unique data, highest resolution = 1.905 Angstroms Anisotropic scaling: intensities multiplied by 0.000142h^2 -0.000213k^2 +0.000061l^2 +0.000000kl +0.000300hl +0.000000hk 439 Reflections with d > 2.105 and 0 in range 2.105 > d > 1.905 added Density sharpening factor set to 0.89 Fourier grid = 256 x 128 x 93 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.776 = 0.300, Contrast = 0.475, Connect. = 0.749 for dens.mod. cycle 1 = 0.300, Contrast = 0.556, Connect. = 0.765 for dens.mod. cycle 2 = 0.300, Contrast = 0.658, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.678, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.692, Connect. = 0.795 for dens.mod. cycle 5 = 0.300, Contrast = 0.701, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 0.708, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.713, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.716, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.719, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2933 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 576 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 30.682 2.073 0.926 0.849 1.000 0.786 CA 1.523 B: 13 20.294 2.080 0.374 0.894 1.000 0.917 CA 1.470 13 residues pruned to eliminate duplicates C: 19 42.998 2.085 1.382 0.849 1.000 0.833 CA 1.513 D: 22 51.108 2.305 1.141 0.932 1.000 0.762 CB 1.578 E: 22 55.179 2.342 1.236 0.928 1.000 0.714 CB 1.610 22 residues pruned to eliminate duplicates F: 19 41.885 2.106 1.276 0.883 1.000 0.722 CA 1.489 19 residues pruned to eliminate duplicates G: 18 42.015 2.186 1.454 0.865 0.882 0.529 CA 1.577 18 residues pruned to eliminate duplicates H: 13 33.231 2.304 0.920 0.918 1.000 0.917 CB 1.529 13 residues pruned to eliminate duplicates I: 24 39.329 2.129 0.862 0.924 1.000 0.652 CA 1.453 23 residues pruned to eliminate duplicates J: 22 52.192 2.249 1.348 0.907 1.000 0.667 CB 1.533 23 residues pruned to eliminate duplicates K: 24 54.874 2.257 1.315 0.944 1.000 0.609 CB 1.516 22 residues pruned to eliminate duplicates L: 14 27.565 2.056 0.983 0.893 1.000 0.615 CB 1.345 M: 22 51.526 2.331 1.241 0.908 1.000 0.762 CB 1.529 22 residues pruned to eliminate duplicates N: 18 40.437 2.171 1.247 0.914 1.000 0.706 CA 1.422 18 residues pruned to eliminate duplicates O: 15 27.353 1.994 0.938 0.868 0.929 0.857 CB 1.489 14 residues pruned to eliminate duplicates P: 27 30.398 2.039 0.776 0.892 1.000 0.654 CB 1.183 Q: 18 32.854 2.007 1.100 0.879 0.941 0.765 CB 1.456 R: 16 20.304 1.854 0.692 0.905 1.000 0.867 CB 1.190 S: 24 50.883 2.233 1.279 0.937 1.000 0.696 CB 1.451 24 residues pruned to eliminate duplicates T: 18 33.409 2.040 1.175 0.875 0.882 0.647 CB 1.505 18 residues pruned to eliminate duplicates U: 14 22.941 2.101 1.074 0.862 0.846 0.769 CB 1.267 14 residues pruned to eliminate duplicates V: 12 29.297 2.108 1.170 0.903 0.909 0.818 CB 1.514 W: 14 33.491 2.266 1.131 0.939 1.000 0.846 CB 1.337 14 residues pruned to eliminate duplicates X: 18 35.849 2.114 1.218 0.894 0.941 0.647 CA 1.413 19 residues pruned to eliminate duplicates Y: 25 49.543 2.124 1.463 0.894 0.958 0.542 CB 1.448 27 residues pruned to eliminate duplicates Z: 16 20.412 1.967 0.785 0.587 0.933 0.733 CA 1.480 Z: 13 23.970 2.007 1.021 0.844 0.917 0.917 CB 1.384 13 residues pruned to eliminate duplicates Z: 13 27.028 2.149 1.156 0.913 0.917 0.833 CB 1.300 13 residues pruned to eliminate duplicates Z: 25 41.708 2.187 0.881 0.906 0.958 0.833 CB 1.536 23 residues pruned to eliminate duplicates Z: 18 25.535 2.155 1.023 0.838 0.941 0.529 CB 1.129 18 residues pruned to eliminate duplicates Z: 15 16.600 1.790 0.456 0.804 0.929 0.857 CA 1.405 Z: 15 19.704 1.919 0.590 0.588 1.000 0.500 CB 1.586 16 residues pruned to eliminate duplicates Z: 18 38.236 2.055 1.185 0.911 0.941 0.706 CA 1.555 18 residues pruned to eliminate duplicates Z: 14 28.582 2.156 0.954 0.839 0.923 0.923 CA 1.522 15 residues pruned to eliminate duplicates Z: 17 43.481 2.124 1.236 0.916 1.000 0.750 CA 1.616 17 residues pruned to eliminate duplicates Z: 26 25.086 1.970 0.751 0.912 1.000 0.800 CB 1.030 Z: 19 37.213 2.053 1.177 0.913 0.944 0.444 CA 1.470 Z: 25 50.221 2.149 1.428 0.916 0.958 0.542 CB 1.448 25 residues pruned to eliminate duplicates Z: 12 26.315 2.097 0.875 0.919 1.000 1.000 CB 1.422 12 residues pruned to eliminate duplicates Z: 15 27.663 2.035 1.109 0.823 0.929 0.643 CB 1.402 15 residues pruned to eliminate duplicates Z: 24 47.994 2.187 1.213 0.917 0.957 0.913 CB 1.526 24 residues pruned to eliminate duplicates Z: 26 28.780 2.028 0.834 0.609 0.920 0.600 CB 1.517 20 residues pruned to eliminate duplicates Z: 23 48.896 2.272 1.202 0.953 1.000 0.727 CB 1.434 22 residues pruned to eliminate duplicates Z: 13 21.978 1.871 0.804 0.892 1.000 0.750 CB 1.349 12 residues pruned to eliminate duplicates Z: 14 22.308 2.111 1.202 0.832 0.846 0.462 CB 1.181 14 residues pruned to eliminate duplicates Z: 14 36.895 2.279 0.944 0.946 1.000 1.000 CB 1.597 14 residues pruned to eliminate duplicates Z: 27 28.607 2.033 0.573 0.887 1.000 0.808 CB 1.265 27 residues pruned to eliminate duplicates Z: 13 30.677 2.075 1.566 0.913 1.000 0.750 CB 1.177 Z: 15 28.883 1.958 1.467 0.905 1.000 0.786 CA 1.137 13 residues pruned to eliminate duplicates Z: 24 48.529 2.144 1.397 0.921 1.000 0.565 CB 1.385 24 residues pruned to eliminate duplicates Z: 17 18.958 1.940 0.767 0.512 0.938 0.688 CA 1.457 17 residues pruned to eliminate duplicates Z: 19 31.029 1.937 1.174 0.850 0.944 0.667 CB 1.363 19 residues pruned to eliminate duplicates Z: 19 44.815 2.073 1.343 0.922 1.000 0.667 CA 1.529 19 residues pruned to eliminate duplicates Z: 15 29.278 2.013 1.192 0.845 0.929 0.571 CB 1.420 15 residues pruned to eliminate duplicates Z: 21 35.801 1.996 1.080 0.886 1.000 0.650 CB 1.392 20 residues pruned to eliminate duplicates Z: 16 27.538 1.903 1.312 0.801 0.933 0.467 CA 1.330 22 residues pruned to eliminate duplicates Z: 17 37.868 2.126 1.000 0.917 1.000 0.938 CA 1.571 17 residues pruned to eliminate duplicates Z: 20 29.710 2.098 0.991 0.772 0.895 0.684 CA 1.434 20 residues pruned to eliminate duplicates Z: 17 19.330 2.016 0.912 0.914 1.000 0.625 CB 0.887 17 residues pruned to eliminate duplicates Z: 14 17.837 1.873 0.603 0.792 0.923 0.692 CB 1.382 15 residues pruned to eliminate duplicates Z: 18 35.831 2.046 1.057 0.897 1.000 0.765 CA 1.477 18 residues pruned to eliminate duplicates Z: 15 24.284 2.086 0.705 0.926 1.000 0.857 CB 1.280 15 residues pruned to eliminate duplicates Z: 19 32.527 2.043 1.037 0.918 0.944 0.444 CA 1.376 19 residues pruned to eliminate duplicates Z: 17 34.633 2.082 1.301 0.917 0.875 0.625 CB 1.458 17 residues pruned to eliminate duplicates Z: 19 43.666 2.143 1.300 0.876 1.000 0.667 CA 1.517 19 residues pruned to eliminate duplicates Z: 14 23.333 1.814 1.132 0.840 1.000 0.769 CB 1.249 14 residues pruned to eliminate duplicates Z: 13 17.490 1.908 0.394 0.929 1.000 0.917 CA 1.329 13 residues pruned to eliminate duplicates Z: 14 21.659 2.059 1.059 0.825 0.923 0.462 CB 1.158 14 residues pruned to eliminate duplicates Z: 15 15.927 1.889 0.820 0.890 0.929 0.857 CB 0.959 15 residues pruned to eliminate duplicates Z: 22 58.665 2.358 1.402 0.954 1.000 0.667 CB 1.555 23 residues pruned to eliminate duplicates Z: 15 25.011 2.053 0.697 0.853 1.000 0.786 CA 1.418 15 residues pruned to eliminate duplicates Z: 19 42.432 2.109 1.547 0.889 0.889 0.833 CA 1.507 19 residues pruned to eliminate duplicates Z: 12 25.498 2.091 1.093 0.885 0.909 0.909 CB 1.395 12 residues pruned to eliminate duplicates Z: 17 39.742 2.153 1.120 0.907 1.000 0.812 CA 1.547 17 residues pruned to eliminate duplicates Z: 16 26.397 1.915 1.310 0.873 0.867 0.733 CA 1.295 16 residues pruned to eliminate duplicates Z: 18 38.476 2.179 1.159 0.864 1.000 0.824 CA 1.454 18 residues pruned to eliminate duplicates Z: 12 33.127 2.285 1.087 0.888 0.909 0.364 CB 1.660 12 residues pruned to eliminate duplicates Z: 19 40.147 2.090 1.326 0.884 0.944 0.722 CA 1.489 19 residues pruned to eliminate duplicates Z: 17 35.279 2.119 1.014 0.896 1.000 1.000 CA 1.480 17 residues pruned to eliminate duplicates Z: 11 16.407 1.924 0.454 0.880 1.000 0.800 CB 1.344 12 residues pruned to eliminate duplicates Z: 14 21.211 1.846 0.686 0.840 1.000 0.846 CA 1.410 14 residues pruned to eliminate duplicates Z: 23 52.925 2.252 1.468 0.904 1.000 0.500 CB 1.446 23 residues pruned to eliminate duplicates Z: 11 13.286 1.844 0.419 0.837 0.900 0.600 CB 1.334 Z: 27 30.846 2.011 0.851 0.916 1.000 0.692 CB 1.148 27 residues pruned to eliminate duplicates Z: 27 26.346 2.036 0.538 0.894 0.962 0.769 CB 1.231 27 residues pruned to eliminate duplicates Z: 18 36.079 2.160 1.074 0.880 0.941 0.824 CA 1.504 18 residues pruned to eliminate duplicates Z: 18 31.315 2.068 1.040 0.857 0.882 0.824 CA 1.504 18 residues pruned to eliminate duplicates Z: 18 41.426 2.063 1.261 0.927 1.000 0.765 CB 1.509 18 residues pruned to eliminate duplicates Z: 13 30.741 1.900 1.258 0.922 1.000 0.667 CB 1.454 13 residues pruned to eliminate duplicates Z: 12 17.150 1.887 0.601 0.883 0.909 0.636 CA 1.361 Z: 17 35.464 2.068 1.096 0.925 0.938 0.938 CA 1.531 17 residues pruned to eliminate duplicates Z: 12 19.933 1.833 1.037 0.909 1.000 0.727 CB 1.142 Z: 18 33.166 2.001 1.244 0.910 0.941 0.471 CB 1.350 18 residues pruned to eliminate duplicates Z: 10 14.380 1.983 0.378 0.842 0.889 0.667 CA 1.471 10 residues pruned to eliminate duplicates Z: 16 21.348 1.893 0.504 0.879 1.000 0.933 CA 1.404 Z: 13 17.795 1.878 0.650 0.845 0.917 0.500 CB 1.345 13 residues pruned to eliminate duplicates Z: 19 38.720 2.145 1.370 0.888 0.944 0.778 CA 1.369 19 residues pruned to eliminate duplicates Z: 30 28.586 2.022 1.158 0.583 0.828 0.621 CB 1.357 15 residues pruned to eliminate duplicates Z: 27 26.070 2.034 0.477 0.894 1.000 0.885 CB 1.220 27 residues pruned to eliminate duplicates Z: 30 30.868 1.999 0.746 0.820 0.931 0.759 CA 1.337 30 residues pruned to eliminate duplicates Z: 19 34.822 1.990 1.161 0.911 0.944 0.833 CB 1.433 18 residues pruned to eliminate duplicates Z: 23 48.184 2.232 1.470 0.896 0.955 0.455 CB 1.398 23 residues pruned to eliminate duplicates Z: 15 22.630 1.949 0.993 0.879 0.786 0.500 CB 1.437 15 residues pruned to eliminate duplicates Z: 26 30.613 2.073 0.840 0.871 0.960 0.640 CB 1.220 27 residues pruned to eliminate duplicates Z: 15 17.755 1.921 0.839 0.583 0.857 0.786 CB 1.447 15 residues pruned to eliminate duplicates Z: 11 12.063 1.622 0.376 0.812 1.000 0.900 CB 1.302 11 residues pruned to eliminate duplicates Z: 14 19.709 1.911 0.683 0.927 1.000 0.923 CB 1.192 14 residues pruned to eliminate duplicates Z: 55 51.156 2.103 0.935 0.654 0.963 0.852 CA 1.540 54 residues pruned to eliminate duplicates Z: 12 33.099 2.052 1.492 0.936 1.000 0.727 CB 1.359 13 residues pruned to eliminate duplicates Z: 11 13.215 2.035 0.411 0.846 0.800 0.600 CB 1.352 11 residues pruned to eliminate duplicates Z: 27 21.172 1.936 0.623 0.892 0.962 0.577 CB 0.988 27 residues pruned to eliminate duplicates Z: 16 36.832 2.188 0.891 0.930 1.000 1.000 CA 1.607 18 residues pruned to eliminate duplicates Z: 26 27.573 2.043 0.607 0.881 1.000 0.840 CB 1.216 26 residues pruned to eliminate duplicates Z: 21 33.015 1.967 1.071 0.873 0.950 0.600 CA 1.389 21 residues pruned to eliminate duplicates Z: 12 17.784 1.915 0.657 0.894 1.000 0.909 CB 1.212 13 residues pruned to eliminate duplicates Z: 26 26.251 2.078 1.186 0.548 0.800 0.560 CB 1.378 26 residues pruned to eliminate duplicates Z: 16 19.358 1.914 0.339 0.878 1.000 0.933 CA 1.415 16 residues pruned to eliminate duplicates Z: 14 13.790 1.848 0.883 0.385 1.000 0.615 CA 1.243 14 residues pruned to eliminate duplicates Z: 25 40.031 2.137 1.232 0.931 1.000 0.667 CB 1.197 26 residues pruned to eliminate duplicates Z: 27 25.553 2.022 0.457 0.873 1.000 0.846 CB 1.239 27 residues pruned to eliminate duplicates Z: 14 22.385 2.073 0.723 0.870 0.923 0.769 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 18.595 1.759 0.889 0.892 1.000 0.750 CB 1.161 12 residues pruned to eliminate duplicates Z: 17 30.150 2.013 0.843 0.857 1.000 0.812 CA 1.497 17 residues pruned to eliminate duplicates Z: 27 30.995 2.022 0.802 0.871 1.000 0.885 CB 1.217 27 residues pruned to eliminate duplicates Z: 16 15.379 1.823 0.917 0.873 0.933 0.867 CA 0.887 16 residues pruned to eliminate duplicates Z: 20 31.410 2.035 1.105 0.807 0.895 0.737 CA 1.438 20 residues pruned to eliminate duplicates Z: 21 37.594 1.977 1.172 0.898 0.950 0.750 CA 1.473 21 residues pruned to eliminate duplicates Z: 13 24.144 1.931 0.928 0.866 1.000 0.833 CA 1.371 13 residues pruned to eliminate duplicates Z: 10 12.742 1.747 0.271 0.885 1.000 1.000 CB 1.381 10 residues pruned to eliminate duplicates Z: 13 9.374 1.554 0.281 0.880 1.000 0.917 CB 0.984 Z: 11 14.610 1.816 0.465 0.839 1.000 0.800 CB 1.297 11 residues pruned to eliminate duplicates Z: 11 13.803 1.836 0.496 0.832 1.000 0.900 CB 1.193 Z: 18 40.494 2.059 1.177 0.943 1.000 0.941 CA 1.519 18 residues pruned to eliminate duplicates Z: 13 26.440 2.203 0.789 0.915 1.000 0.833 CB 1.369 13 residues pruned to eliminate duplicates Z: 13 34.760 2.092 1.743 0.931 0.917 0.750 CB 1.333 15 residues pruned to eliminate duplicates Z: 7 7.795 1.614 0.736 0.526 0.833 0.500 CA 1.328 Z: 21 36.026 1.966 1.078 0.902 1.000 0.650 CB 1.406 21 residues pruned to eliminate duplicates Z: 16 21.232 1.952 0.450 0.890 0.933 0.933 CA 1.493 16 residues pruned to eliminate duplicates Z: 34 26.861 1.924 0.826 0.455 0.970 0.545 CA 1.437 34 residues pruned to eliminate duplicates Z: 14 27.907 2.084 1.079 0.918 0.923 0.692 CB 1.365 14 residues pruned to eliminate duplicates Z: 7 4.730 1.645 0.447 0.395 0.667 0.667 CB 1.361 6 1.471 1.333 0.014 0.309 0.800 0.400 N 0.752 ? Z: 18 33.789 2.064 0.992 0.911 0.941 0.824 CA 1.502 17 residues pruned to eliminate duplicates Z: 15 23.713 2.071 0.706 0.831 0.929 0.643 CA 1.451 15 residues pruned to eliminate duplicates Z: 13 20.950 1.790 0.910 0.893 1.000 0.667 CA 1.271 13 residues pruned to eliminate duplicates Z: 15 15.192 1.847 0.571 0.862 0.786 0.500 CB 1.307 15 residues pruned to eliminate duplicates Z: 16 19.220 1.904 0.415 0.882 0.933 0.867 CA 1.428 16 residues pruned to eliminate duplicates Z: 26 21.035 1.943 0.543 0.897 1.000 0.800 CB 1.004 26 residues pruned to eliminate duplicates Z: 7 3.126 1.676 0.188 0.907 1.000 1.000 CB 0.456 7 residues pruned to eliminate duplicates Z: 12 9.689 1.560 0.379 0.856 1.000 0.818 CB 1.002 12 residues pruned to eliminate duplicates Z: 17 25.679 1.789 1.240 0.872 1.000 0.562 CB 1.168 16 residues pruned to eliminate duplicates Z: 16 15.469 1.844 0.259 0.895 0.933 0.867 CB 1.322 16 residues pruned to eliminate duplicates Z: 15 16.003 1.690 0.326 0.881 1.000 0.929 CA 1.383 15 residues pruned to eliminate duplicates Z: 15 23.437 1.951 0.968 0.851 0.929 0.643 CB 1.301 15 residues pruned to eliminate duplicates Z: 26 31.574 2.049 0.886 0.874 0.960 0.800 CB 1.239 26 residues pruned to eliminate duplicates Z: 17 29.092 2.121 1.147 0.895 0.938 0.500 CB 1.221 17 residues pruned to eliminate duplicates Z: 16 21.753 1.820 0.626 0.889 1.000 0.800 CA 1.366 16 residues pruned to eliminate duplicates Z: 20 54.739 2.244 1.449 0.949 1.000 0.526 CB 1.577 20 residues pruned to eliminate duplicates Z: 27 26.624 2.025 0.662 0.908 0.923 0.654 CB 1.193 27 residues pruned to eliminate duplicates Z: 57 54.784 2.135 0.901 0.697 0.982 0.696 CB 1.534 52 residues pruned to eliminate duplicates Z: 71 53.045 2.051 1.015 0.678 0.971 0.700 CB 1.340 68 residues pruned to eliminate duplicates Z: 9 21.719 2.010 0.898 0.919 1.000 0.625 CA 1.419 9 residues pruned to eliminate duplicates Z: 7 6.067 1.663 0.270 0.892 1.000 0.833 CB 0.843 7 residues pruned to eliminate duplicates Z: 28 18.646 1.823 0.376 0.870 0.963 0.704 CB 1.084 27 residues pruned to eliminate duplicates Z: 17 18.437 1.942 0.659 0.870 1.000 0.812 CB 1.044 17 residues pruned to eliminate duplicates Z: 70 51.404 2.079 0.984 0.683 0.957 0.768 CB 1.325 71 residues pruned to eliminate duplicates Z: 57 45.955 2.068 0.822 0.669 0.946 0.786 CB 1.473 57 residues pruned to eliminate duplicates Z: 12 17.545 1.895 0.838 0.878 0.909 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 8 5.652 1.824 0.381 0.553 0.714 0.571 CB 1.128 Z: 12 15.476 1.779 0.518 0.855 1.000 0.727 CB 1.275 11 residues pruned to eliminate duplicates Z: 21 39.099 1.952 1.248 0.933 0.950 0.650 CB 1.464 21 residues pruned to eliminate duplicates Z: 6 3.739 1.857 0.302 0.298 0.600 0.400 CA 1.444 6 residues pruned to eliminate duplicates Z: 24 44.411 2.234 1.170 0.910 0.957 0.565 CB 1.417 24 residues pruned to eliminate duplicates Z: 16 40.867 2.166 1.065 0.918 1.000 0.867 CA 1.664 17 residues pruned to eliminate duplicates Z: 12 16.381 1.713 0.472 0.907 1.000 0.727 CB 1.392 12 residues pruned to eliminate duplicates Z: 27 20.583 1.915 0.516 0.914 0.962 0.846 CB 1.022 27 residues pruned to eliminate duplicates Z: 12 15.286 1.723 0.665 0.734 1.000 0.364 CB 1.302 12 residues pruned to eliminate duplicates Z: 10 15.634 1.851 0.363 0.910 1.000 0.667 CB 1.465 10 residues pruned to eliminate duplicates Z: 13 17.941 1.919 0.561 0.908 0.917 0.750 CB 1.340 13 residues pruned to eliminate duplicates Z: 19 35.562 2.149 1.219 0.879 0.889 0.778 CA 1.434 19 residues pruned to eliminate duplicates Z: 12 21.471 1.993 0.986 0.899 0.818 0.727 CA 1.429 12 residues pruned to eliminate duplicates Z: 13 33.589 2.053 1.553 0.941 1.000 0.833 CB 1.283 13 residues pruned to eliminate duplicates Z: 11 13.597 1.806 0.431 0.847 1.000 0.800 CB 1.235 11 residues pruned to eliminate duplicates Z: 14 27.873 2.099 0.871 0.935 1.000 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 17 34.897 2.158 0.869 0.904 1.000 0.812 CA 1.540 17 residues pruned to eliminate duplicates Z: 17 22.166 1.818 0.591 0.870 1.000 0.875 CB 1.398 17 residues pruned to eliminate duplicates Z: 10 11.634 1.777 0.493 0.914 1.000 0.889 CB 1.034 10 residues pruned to eliminate duplicates Z: 9 11.014 1.764 0.415 0.874 1.000 0.625 CB 1.135 8 residues pruned to eliminate duplicates Z: 20 34.347 1.989 1.339 0.871 0.895 0.895 CA 1.381 20 residues pruned to eliminate duplicates Z: 26 20.549 1.925 0.489 0.890 0.960 0.800 CB 1.075 26 residues pruned to eliminate duplicates Z: 16 23.210 1.884 0.643 0.893 0.933 0.800 CB 1.489 20 residues pruned to eliminate duplicates Z: 8 8.267 1.569 0.451 0.857 1.000 0.857 CB 1.012 8 residues pruned to eliminate duplicates Z: 10 5.393 1.683 0.598 0.269 0.778 0.222 CA 1.118 Z: 18 36.273 2.002 1.208 0.887 1.000 0.706 CA 1.435 18 residues pruned to eliminate duplicates Z: 44 33.305 1.979 1.005 0.646 0.907 0.674 CB 1.232 42 residues pruned to eliminate duplicates Z: 10 18.742 1.891 0.922 0.910 0.889 0.889 CB 1.372 10 residues pruned to eliminate duplicates Z: 12 9.015 1.602 0.223 0.925 1.000 0.818 CB 0.974 12 residues pruned to eliminate duplicates Z: 12 20.207 1.899 0.875 0.914 1.000 1.000 CA 1.210 12 residues pruned to eliminate duplicates Z: 10 18.058 1.869 0.521 0.894 1.000 0.889 CA 1.519 10 residues pruned to eliminate duplicates Z: 17 40.088 2.175 1.264 0.898 0.938 0.812 CA 1.554 17 residues pruned to eliminate duplicates Z: 16 11.667 1.835 0.151 0.894 1.000 0.867 CB 1.023 16 residues pruned to eliminate duplicates Z: 22 54.397 2.324 1.303 0.930 1.000 0.667 CB 1.550 22 residues pruned to eliminate duplicates Z: 25 15.712 1.838 0.143 0.929 1.000 0.875 CB 1.069 25 residues pruned to eliminate duplicates Z: 11 14.583 1.856 0.608 0.859 0.900 0.400 CB 1.264 11 residues pruned to eliminate duplicates Z: 17 33.317 2.105 1.170 0.938 0.875 0.438 CA 1.449 17 residues pruned to eliminate duplicates Z: 15 18.862 1.924 0.497 0.916 0.929 0.857 CB 1.332 15 residues pruned to eliminate duplicates Z: 26 28.614 2.080 0.812 0.871 0.920 0.640 CB 1.203 26 residues pruned to eliminate duplicates Z: 12 16.134 1.787 0.700 0.879 1.000 0.818 CB 1.161 12 residues pruned to eliminate duplicates Z: 8 7.524 1.935 0.315 0.803 1.000 0.857 CA 0.858 8 residues pruned to eliminate duplicates Z: 15 30.564 1.922 1.306 0.939 1.000 0.929 CA 1.280 15 residues pruned to eliminate duplicates Z: 16 22.620 1.831 1.084 0.906 0.933 0.600 CB 1.167 16 residues pruned to eliminate duplicates Z: 25 33.568 2.131 1.013 0.926 1.000 0.500 CB 1.120 26 residues pruned to eliminate duplicates Z: 27 17.466 1.896 0.260 0.908 1.000 0.846 CB 1.019 27 residues pruned to eliminate duplicates Z: 15 24.058 1.908 1.152 0.914 0.929 0.786 CA 1.193 15 residues pruned to eliminate duplicates Z: 12 15.605 1.759 0.639 0.789 1.000 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 15 29.059 1.994 1.008 0.867 1.000 0.571 CB 1.419 15 residues pruned to eliminate duplicates Z: 10 28.531 2.025 1.426 0.929 1.000 0.667 CB 1.354 11 residues pruned to eliminate duplicates Z: 13 13.677 1.862 0.413 0.530 0.917 0.583 CA 1.589 13 residues pruned to eliminate duplicates Z: 9 8.563 1.525 0.739 0.494 0.875 0.750 CB 1.314 7 residues pruned to eliminate duplicates Z: 44 29.331 1.918 0.918 0.617 0.860 0.581 CB 1.266 44 residues pruned to eliminate duplicates Z: 20 35.118 2.043 1.351 0.833 0.895 0.789 CA 1.406 20 residues pruned to eliminate duplicates Z: 24 40.597 2.247 0.763 0.939 1.000 0.957 CA 1.484 24 residues pruned to eliminate duplicates Z: 9 9.703 1.877 0.663 0.374 1.000 0.750 CB 1.258 9 residues pruned to eliminate duplicates Z: 15 19.032 1.903 0.894 0.878 1.000 0.786 CB 1.024 15 residues pruned to eliminate duplicates Z: 22 15.114 1.800 0.535 0.602 0.810 0.571 CB 1.338 12 residues pruned to eliminate duplicates Z: 7 7.166 1.690 0.716 0.519 0.833 0.833 CA 1.188 7 residues pruned to eliminate duplicates Z: 27 28.575 2.036 0.749 0.897 1.000 0.731 CB 1.126 27 residues pruned to eliminate duplicates Z: 15 20.108 1.933 1.076 0.932 0.929 0.643 CB 1.007 15 residues pruned to eliminate duplicates Z: 18 16.233 1.854 1.050 0.709 0.941 0.647 CB 0.910 18 residues pruned to eliminate duplicates Z: 14 12.528 1.477 0.814 0.876 0.923 0.692 CB 1.020 13 residues pruned to eliminate duplicates Z: 8 3.373 1.404 0.095 0.457 0.714 0.571 N 1.213 Z: 28 19.110 1.855 0.396 0.902 1.000 0.741 CB 1.013 28 residues pruned to eliminate duplicates Z: 9 6.261 1.602 0.656 0.289 0.875 0.750 CA 1.208 Z: 39 27.633 2.057 0.819 0.554 0.895 0.605 CB 1.271 39 residues pruned to eliminate duplicates Z: 21 27.503 1.900 0.745 0.911 1.000 0.800 CA 1.315 21 residues pruned to eliminate duplicates Z: 25 38.054 2.164 0.756 0.933 0.958 0.958 CB 1.488 25 residues pruned to eliminate duplicates Z: 13 14.983 1.877 0.399 0.853 0.917 0.750 CB 1.329 12 residues pruned to eliminate duplicates Z: 21 35.521 1.951 0.945 0.935 1.000 0.500 CA 1.459 21 residues pruned to eliminate duplicates Z: 11 24.232 2.075 0.977 0.913 1.000 0.700 CB 1.322 11 residues pruned to eliminate duplicates Z: 10 4.049 1.647 0.163 0.360 0.778 0.556 CA 1.054 10 residues pruned to eliminate duplicates Z: 56 46.139 2.031 0.933 0.703 0.945 0.709 CA 1.393 50 residues pruned to eliminate duplicates Z: 27 24.951 1.898 0.735 0.936 1.000 0.615 CB 1.035 27 residues pruned to eliminate duplicates Z: 22 29.315 2.124 0.917 0.929 0.905 0.667 CB 1.216 22 residues pruned to eliminate duplicates Z: 10 13.295 1.894 0.543 0.813 0.889 0.778 CB 1.299 10 residues pruned to eliminate duplicates Z: 26 32.021 2.045 0.872 0.908 0.960 0.640 CB 1.238 26 residues pruned to eliminate duplicates Z: 16 11.941 1.805 0.333 0.851 1.000 0.933 CB 0.948 16 residues pruned to eliminate duplicates Z: 25 38.081 2.163 0.831 0.913 1.000 0.958 CA 1.389 25 residues pruned to eliminate duplicates Z: 11 12.795 1.658 0.699 0.837 0.900 0.800 CA 1.194 11 residues pruned to eliminate duplicates Z: 7 2.159 1.436 0.466 0.426 0.833 0.833 CB 0.543 7 residues pruned to eliminate duplicates Z: 17 11.902 1.896 0.195 0.810 0.938 0.875 CB 1.069 17 residues pruned to eliminate duplicates Z: 15 28.501 2.010 1.413 0.915 0.929 0.857 CA 1.195 15 residues pruned to eliminate duplicates Z: 14 31.782 2.040 1.343 0.919 1.000 0.769 CB 1.299 14 residues pruned to eliminate duplicates Z: 17 14.392 1.877 0.448 0.863 0.938 0.750 CB 1.036 17 residues pruned to eliminate duplicates Z: 26 33.566 2.076 0.744 0.798 0.960 0.920 CA 1.488 26 residues pruned to eliminate duplicates Z: 20 34.409 1.938 1.175 0.869 1.000 0.789 CA 1.368 20 residues pruned to eliminate duplicates Z: 12 15.813 1.853 0.570 0.890 0.909 0.727 CB 1.297 12 residues pruned to eliminate duplicates Z: 11 18.934 1.933 0.807 0.914 1.000 0.600 CB 1.213 11 residues pruned to eliminate duplicates Z: 23 19.004 1.892 0.439 0.902 1.000 0.727 CB 1.061 23 residues pruned to eliminate duplicates Z: 15 26.180 2.015 1.473 0.832 0.857 0.714 CA 1.230 15 residues pruned to eliminate duplicates Z: 7 4.373 1.518 0.563 0.470 0.833 0.500 N 0.931 Z: 6 6.470 1.592 0.323 0.855 1.000 1.000 CB 1.014 Z: 88 58.854 2.094 1.006 0.669 0.954 0.667 CB 1.347 84 residues pruned to eliminate duplicates Z: 12 15.819 1.689 0.752 0.903 1.000 0.727 CB 1.149 12 residues pruned to eliminate duplicates Z: 7 8.424 1.522 0.815 0.673 1.000 1.000 CA 1.061 9 residues pruned to eliminate duplicates Z: 30 33.922 2.115 1.132 0.616 0.931 0.655 CB 1.344 30 residues pruned to eliminate duplicates Z: 33 27.358 1.990 0.994 0.787 0.844 0.594 CB 1.122 33 residues pruned to eliminate duplicates Z: 28 10.558 1.766 0.615 0.465 0.852 0.630 CB 0.867 28 residues pruned to eliminate duplicates Z: 14 25.404 2.047 0.852 0.889 1.000 0.692 CB 1.338 14 residues pruned to eliminate duplicates Z: 6 5.258 1.402 0.896 0.574 1.000 0.800 CA 0.823 Z: 11 19.052 1.993 0.602 0.883 1.000 0.900 CB 1.365 11 residues pruned to eliminate duplicates Z: 13 14.112 1.607 0.562 0.861 1.000 0.917 CB 1.193 13 residues pruned to eliminate duplicates Z: 15 21.020 2.081 0.497 0.904 1.000 0.786 CB 1.285 15 residues pruned to eliminate duplicates Z: 11 7.360 1.431 0.364 0.905 0.900 0.600 CB 0.943 Z: 17 39.067 2.220 1.057 0.890 1.000 0.562 CA 1.538 17 residues pruned to eliminate duplicates Z: 19 14.844 1.918 0.074 0.906 1.000 0.944 CB 1.209 19 residues pruned to eliminate duplicates Z: 6 6.559 1.420 0.989 0.606 1.000 0.200 CB 0.939 Z: 12 14.913 1.797 0.556 0.895 1.000 0.909 CB 1.153 12 residues pruned to eliminate duplicates Z: 23 19.181 1.963 0.347 0.906 1.000 0.864 CB 1.100 23 residues pruned to eliminate duplicates Z: 10 13.507 1.789 0.603 0.838 1.000 0.778 CB 1.173 10 residues pruned to eliminate duplicates Z: 27 23.373 1.941 0.610 0.917 0.962 0.808 CB 1.077 27 residues pruned to eliminate duplicates Z: 27 27.651 2.016 0.648 0.888 0.962 0.808 CB 1.223 27 residues pruned to eliminate duplicates Z: 13 31.515 2.097 1.291 0.924 1.000 0.917 CB 1.330 13 residues pruned to eliminate duplicates Z: 28 43.536 2.208 0.977 0.789 0.926 0.889 CB 1.608 35 residues pruned to eliminate duplicates Z: 10 13.287 1.842 0.218 0.893 1.000 0.889 CB 1.417 10 residues pruned to eliminate duplicates Z: 22 26.046 2.053 0.565 0.899 0.952 0.762 CB 1.328 22 residues pruned to eliminate duplicates Z: 7 9.465 1.822 0.625 0.701 1.000 0.500 CA 1.087 Z: 9 2.916 1.340 0.822 0.187 0.750 0.375 CB 0.819 Z: 14 18.979 1.974 0.951 0.923 1.000 0.846 CB 0.961 14 residues pruned to eliminate duplicates Z: 19 18.440 1.830 0.796 0.858 0.944 0.667 CB 1.031 19 residues pruned to eliminate duplicates Z: 25 29.367 2.121 0.711 0.919 0.958 0.708 CB 1.215 25 residues pruned to eliminate duplicates Z: 10 9.728 1.347 1.092 0.892 0.889 0.444 CB 0.930 10 residues pruned to eliminate duplicates Z: 12 10.636 1.752 0.246 0.880 0.909 0.909 CB 1.171 12 residues pruned to eliminate duplicates Z: 27 24.824 2.023 0.453 0.884 1.000 0.846 CB 1.197 27 residues pruned to eliminate duplicates Z: 15 14.469 1.820 0.731 0.717 0.929 0.786 CB 1.086 15 residues pruned to eliminate duplicates Z: 26 26.358 2.020 0.509 0.909 1.000 0.880 CB 1.228 26 residues pruned to eliminate duplicates Z: 34 25.147 1.921 0.810 0.619 0.879 0.455 CB 1.280 39 residues pruned to eliminate duplicates Z: 6 2.414 1.401 0.017 0.444 0.800 0.400 CA 1.004 Z: 21 33.584 2.053 1.345 0.839 0.850 0.800 CA 1.370 21 residues pruned to eliminate duplicates Z: 6 3.413 1.597 0.565 0.482 0.600 0.600 N 1.037 Z: 13 20.248 1.972 1.219 0.927 1.000 0.417 CB 0.937 13 residues pruned to eliminate duplicates Z: 56 46.843 2.076 1.201 0.595 0.945 0.727 CB 1.335 56 residues pruned to eliminate duplicates Z: 15 21.196 2.023 0.597 0.864 0.929 0.929 CA 1.384 15 residues pruned to eliminate duplicates Z: 21 17.723 2.014 0.441 0.601 0.950 0.700 CB 1.306 21 residues pruned to eliminate duplicates Z: 27 19.917 1.834 0.449 0.908 1.000 0.846 CB 1.044 27 residues pruned to eliminate duplicates Z: 7 13.247 1.741 0.903 0.808 1.000 0.500 CB 1.249 7 residues pruned to eliminate duplicates Z: 17 38.265 2.235 1.195 0.826 1.000 0.750 CB 1.471 23 residues pruned to eliminate duplicates Z: 6 2.657 1.376 -0.129 0.484 1.000 0.400 N 1.008 Z: 59 36.774 1.993 1.101 0.556 0.897 0.466 CB 1.218 59 residues pruned to eliminate duplicates Z: 7 2.475 1.308 0.426 0.243 0.667 0.333 C 1.093 Z: 7 10.734 1.932 0.926 0.664 1.000 0.833 CB 1.013 8 residues pruned to eliminate duplicates Z: 23 17.850 1.951 0.268 0.932 1.000 0.773 CB 1.074 23 residues pruned to eliminate duplicates Z: 10 16.498 1.875 0.408 0.918 1.000 0.556 CB 1.469 10 residues pruned to eliminate duplicates Z: 16 25.624 1.859 1.012 0.903 0.933 0.533 CB 1.351 22 residues pruned to eliminate duplicates Z: 7 9.244 1.724 0.860 0.720 1.000 0.667 CA 0.965 7 residues pruned to eliminate duplicates Z: 19 17.313 1.799 1.085 0.622 0.944 0.611 CB 1.026 17 residues pruned to eliminate duplicates Z: 34 39.558 2.121 0.955 0.654 0.970 0.667 CB 1.484 34 residues pruned to eliminate duplicates Z: 10 3.909 1.773 0.422 0.223 0.667 0.222 CB 1.072 Z: 16 23.295 1.823 1.019 0.890 1.000 0.867 CB 1.175 19 residues pruned to eliminate duplicates Z: 15 33.401 2.048 1.262 0.780 0.929 0.643 CA 1.621 15 residues pruned to eliminate duplicates Z: 7 2.204 1.451 0.036 0.528 0.667 0.500 C 0.874 7 residues pruned to eliminate duplicates Z: 12 28.138 2.025 1.256 0.924 1.000 0.636 CB 1.304 12 residues pruned to eliminate duplicates Z: 12 9.099 1.586 0.109 0.901 1.000 0.909 CA 1.113 11 residues pruned to eliminate duplicates Z: 11 13.853 1.776 0.292 0.879 1.000 0.800 CB 1.385 11 residues pruned to eliminate duplicates Z: 6 3.256 1.691 0.480 0.407 0.600 0.400 CA 1.070 Z: 10 5.218 1.202 0.599 0.574 0.889 0.333 CB 0.948 9 1.983 1.396 0.294 0.183 0.875 0.375 CB 0.649 ? Z: 11 6.383 1.615 0.737 0.406 0.800 0.700 CB 0.992 10 residues pruned to eliminate duplicates 6 1.225 1.051 0.110 0.300 1.000 0.800 CB 0.587 ? Z: 15 10.210 1.693 0.426 0.502 0.929 0.571 CA 1.216 15 residues pruned to eliminate duplicates Z: 11 6.516 1.616 0.386 0.576 0.800 0.800 CB 1.069 11 residues pruned to eliminate duplicates Z: 20 16.646 1.773 0.732 0.588 0.895 0.579 CB 1.278 20 residues pruned to eliminate duplicates Z: 6 3.049 1.632 -0.102 0.531 1.000 0.800 CB 0.902 Z: 21 15.582 1.933 0.169 0.906 1.000 0.850 CB 1.097 21 residues pruned to eliminate duplicates Z: 11 10.815 1.723 1.049 0.734 0.900 0.700 CB 0.872 11 residues pruned to eliminate duplicates Z: 16 19.367 1.829 0.798 0.859 1.000 0.667 CB 1.118 16 residues pruned to eliminate duplicates Z: 17 35.955 1.963 1.373 0.917 0.938 0.625 CB 1.452 17 residues pruned to eliminate duplicates Z: 11 17.225 1.788 0.635 0.885 1.000 0.700 CB 1.345 11 residues pruned to eliminate duplicates Z: 26 28.233 2.098 0.681 0.881 0.920 0.760 CB 1.260 26 residues pruned to eliminate duplicates Z: 7 3.690 1.548 -0.231 0.486 1.000 0.333 CB 1.284 5 residues pruned to eliminate duplicates Z: 11 6.309 1.397 0.279 0.894 1.000 0.600 CB 0.801 11 residues pruned to eliminate duplicates Z: 15 6.232 1.310 0.317 0.537 1.000 0.571 CB 0.931 4 residues pruned to eliminate duplicates Z: 7 3.446 1.579 -0.022 0.469 0.833 0.667 CB 1.128 5 residues pruned to eliminate duplicates Z: 70 45.688 2.000 0.920 0.694 0.884 0.667 CB 1.357 70 residues pruned to eliminate duplicates Z: 8 16.844 1.858 1.026 0.795 1.000 0.857 CA 1.306 8 residues pruned to eliminate duplicates Z: 16 8.975 1.647 0.713 0.477 0.933 0.733 CB 0.901 16 residues pruned to eliminate duplicates Z: 10 5.402 1.684 0.265 0.365 0.889 0.333 CB 1.099 10 residues pruned to eliminate duplicates Z: 6 3.203 1.310 0.270 0.282 1.000 0.400 O 1.101 Z: 25 35.428 2.202 0.692 0.811 0.958 0.792 CA 1.546 25 residues pruned to eliminate duplicates Z: 9 5.847 1.505 0.147 0.895 1.000 0.875 CB 0.859 7 residues pruned to eliminate duplicates Z: 13 15.577 1.746 0.825 0.859 0.833 0.583 CA 1.246 13 residues pruned to eliminate duplicates 6 1.794 1.171 0.390 0.535 0.800 0.400 CB 0.596 ? Z: 37 29.729 2.007 0.908 0.703 0.917 0.611 CB 1.173 37 residues pruned to eliminate duplicates Z: 19 23.373 2.104 0.416 0.931 1.000 0.722 CB 1.292 19 residues pruned to eliminate duplicates Z: 41 23.581 1.917 0.780 0.595 0.925 0.650 CB 1.078 41 residues pruned to eliminate duplicates Z: 26 18.386 1.918 0.397 0.874 1.000 0.840 CB 0.999 26 residues pruned to eliminate duplicates Z: 23 36.358 2.163 1.234 0.875 0.909 0.409 CB 1.283 23 residues pruned to eliminate duplicates Z: 16 20.172 1.886 0.396 0.899 1.000 0.933 CB 1.415 16 residues pruned to eliminate duplicates Z: 6 3.813 1.308 0.664 0.504 1.000 0.800 N 0.780 Z: 18 31.160 2.086 0.820 0.774 1.000 0.882 CB 1.563 17 residues pruned to eliminate duplicates Z: 17 5.375 1.668 0.545 0.405 0.875 0.625 CB 0.658 17 residues pruned to eliminate duplicates Z: 21 17.925 2.024 0.736 0.596 0.950 0.650 CB 1.096 21 residues pruned to eliminate duplicates Z: 6 4.966 1.546 0.448 0.688 0.800 0.400 CB 1.044 6 residues pruned to eliminate duplicates Z: 15 20.550 1.889 1.050 0.886 1.000 0.643 CB 1.023 15 residues pruned to eliminate duplicates Z: 10 9.856 1.684 0.398 0.765 0.889 0.444 CB 1.241 10 residues pruned to eliminate duplicates Z: 21 21.476 1.885 0.718 0.749 0.950 0.450 CB 1.250 21 residues pruned to eliminate duplicates Z: 7 5.897 1.661 0.546 0.480 0.833 0.833 CB 1.148 7 residues pruned to eliminate duplicates Z: 10 7.072 1.384 0.484 0.909 1.000 0.889 CB 0.815 10 residues pruned to eliminate duplicates Z: 9 17.112 2.057 1.092 0.896 0.875 0.625 CB 1.151 9 residues pruned to eliminate duplicates Z: 21 9.164 1.657 0.610 0.405 0.900 0.650 CB 0.943 21 residues pruned to eliminate duplicates Z: 19 11.652 1.804 0.888 0.353 0.889 0.500 CB 1.063 15 residues pruned to eliminate duplicates Z: 8 5.671 1.709 0.424 0.419 0.714 0.571 C 1.341 8 residues pruned to eliminate duplicates Z: 30 21.848 1.900 0.715 0.561 0.862 0.690 CA 1.361 30 residues pruned to eliminate duplicates Z: 21 34.145 1.977 0.999 0.878 1.000 0.650 CA 1.402 21 residues pruned to eliminate duplicates Z: 9 2.953 1.565 0.250 0.302 0.750 0.125 CB 0.887 9 residues pruned to eliminate duplicates Z: 34 31.005 1.979 0.972 0.549 0.970 0.606 CB 1.359 34 residues pruned to eliminate duplicates Z: 6 6.617 1.412 0.563 0.784 1.000 1.000 CB 1.045 6 residues pruned to eliminate duplicates Z: 15 8.127 1.749 0.358 0.272 0.929 0.357 CA 1.276 Z: 26 25.419 1.950 1.122 0.604 0.840 0.400 CB 1.326 26 residues pruned to eliminate duplicates 408 residues left after pruning, divided into chains as follows: A: 44 B: 23 C: 20 D: 14 E: 7 F: 100 G: 9 H: 11 I: 17 J: 8 K: 59 L: 8 M: 88 CC for partial structure against native data = 40.61 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.479, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.770 for dens.mod. cycle 2 = 0.300, Contrast = 0.670, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.684, Connect. = 0.798 for dens.mod. cycle 4 = 0.300, Contrast = 0.697, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.702, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.708, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.710, Connect. = 0.803 for dens.mod. cycle 8 = 0.300, Contrast = 0.713, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 0.714, Connect. = 0.805 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2908 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 576 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 24.782 2.139 0.626 0.818 0.929 0.786 CA 1.556 B: 15 23.629 2.154 0.643 0.774 0.929 0.714 CA 1.509 15 residues pruned to eliminate duplicates C: 25 52.248 2.300 1.073 0.918 1.000 0.583 CB 1.578 D: 15 26.545 2.181 0.630 0.847 1.000 0.857 CB 1.481 15 residues pruned to eliminate duplicates E: 19 49.030 2.223 1.353 0.886 1.000 0.556 CA 1.594 F: 25 53.303 2.292 1.150 0.915 1.000 0.542 CB 1.560 25 residues pruned to eliminate duplicates G: 24 48.112 2.334 1.058 0.899 1.000 0.739 CB 1.493 24 residues pruned to eliminate duplicates H: 23 58.018 2.360 1.345 0.909 1.000 0.591 CB 1.586 23 residues pruned to eliminate duplicates I: 16 27.633 2.050 0.861 0.844 1.000 0.800 CA 1.392 15 residues pruned to eliminate duplicates J: 13 29.314 2.277 0.901 0.856 0.917 0.667 CB 1.573 K: 15 20.430 1.926 0.636 0.903 0.929 0.857 CB 1.330 L: 24 69.904 2.405 1.467 0.942 1.000 0.522 CB 1.703 25 residues pruned to eliminate duplicates M: 20 42.862 2.162 1.261 0.915 0.947 0.737 CA 1.501 20 residues pruned to eliminate duplicates N: 19 42.976 2.249 1.000 0.875 1.000 0.833 CA 1.638 19 residues pruned to eliminate duplicates O: 13 24.918 2.218 0.733 0.894 0.917 0.833 CA 1.464 13 residues pruned to eliminate duplicates P: 26 39.508 2.172 0.889 0.906 0.960 0.760 CB 1.427 Q: 18 46.339 2.127 1.262 0.930 1.000 0.706 CB 1.634 R: 26 41.237 2.233 0.819 0.920 0.960 0.760 CB 1.490 27 residues pruned to eliminate duplicates S: 20 45.734 2.151 1.220 0.890 1.000 0.789 CA 1.581 20 residues pruned to eliminate duplicates T: 20 40.112 2.151 1.317 0.880 0.895 0.632 CA 1.495 20 residues pruned to eliminate duplicates U: 24 63.395 2.370 1.311 0.935 1.000 0.478 CB 1.682 24 residues pruned to eliminate duplicates V: 19 48.538 2.233 1.365 0.896 1.000 0.833 CA 1.552 19 residues pruned to eliminate duplicates W: 19 34.692 2.065 1.010 0.901 0.889 0.778 CA 1.581 19 residues pruned to eliminate duplicates X: 18 50.568 2.300 1.384 0.915 0.941 0.824 CA 1.679 18 residues pruned to eliminate duplicates Y: 24 64.120 2.351 1.338 0.929 1.000 0.522 CB 1.702 24 residues pruned to eliminate duplicates Z: 13 22.491 2.047 0.499 0.862 1.000 0.667 CB 1.553 Z: 25 53.683 2.301 1.077 0.927 1.000 0.542 CB 1.607 25 residues pruned to eliminate duplicates Z: 25 52.751 2.350 0.990 0.939 1.000 0.833 CB 1.601 25 residues pruned to eliminate duplicates Z: 24 57.011 2.373 1.134 0.937 1.000 0.565 CB 1.633 24 residues pruned to eliminate duplicates Z: 14 27.226 2.310 0.822 0.862 0.846 0.769 CB 1.556 14 residues pruned to eliminate duplicates Z: 25 59.288 2.333 1.280 0.917 1.000 0.583 CB 1.605 25 residues pruned to eliminate duplicates Z: 14 41.531 2.275 1.107 0.897 1.000 0.769 CB 1.721 14 residues pruned to eliminate duplicates Z: 14 29.459 2.179 1.303 0.817 0.923 0.692 CB 1.339 14 residues pruned to eliminate duplicates Z: 17 37.980 2.167 1.042 0.913 0.938 0.500 CA 1.620 17 residues pruned to eliminate duplicates Z: 25 55.078 2.299 1.220 0.927 0.958 0.750 CB 1.611 25 residues pruned to eliminate duplicates Z: 12 21.854 2.000 0.696 0.832 1.000 0.727 CB 1.459 12 residues pruned to eliminate duplicates Z: 17 47.830 2.347 1.199 0.911 1.000 0.875 CA 1.642 17 residues pruned to eliminate duplicates Z: 17 46.476 2.286 1.156 0.925 1.000 0.750 CA 1.655 18 residues pruned to eliminate duplicates Z: 21 46.930 2.163 1.280 0.925 1.000 0.550 CB 1.493 Z: 14 23.850 2.158 0.577 0.620 1.000 0.769 CB 1.735 Z: 14 35.775 2.187 1.425 0.919 1.000 0.769 CA 1.318 Z: 19 43.627 2.165 1.300 0.914 1.000 0.889 CA 1.461 19 residues pruned to eliminate duplicates Z: 24 63.094 2.370 1.300 0.925 1.000 0.522 CB 1.694 24 residues pruned to eliminate duplicates Z: 27 33.691 2.061 1.103 0.803 0.923 0.692 CB 1.267 14 residues pruned to eliminate duplicates Z: 21 40.088 2.139 0.950 0.911 1.000 0.500 CB 1.523 21 residues pruned to eliminate duplicates Z: 26 33.348 2.195 0.532 0.877 0.960 0.800 CB 1.501 26 residues pruned to eliminate duplicates Z: 14 21.347 2.119 0.619 0.624 0.923 0.692 CB 1.663 14 residues pruned to eliminate duplicates Z: 20 45.921 2.180 1.242 0.929 0.947 0.421 CB 1.592 20 residues pruned to eliminate duplicates Z: 17 12.943 1.921 0.624 0.423 0.812 0.500 CB 1.383 17 residues pruned to eliminate duplicates Z: 15 21.234 2.115 0.604 0.587 0.929 0.714 CA 1.658 15 residues pruned to eliminate duplicates Z: 17 47.508 2.307 1.244 0.895 0.938 0.688 CA 1.754 17 residues pruned to eliminate duplicates Z: 21 33.449 2.140 0.751 0.894 0.900 0.550 CB 1.591 20 residues pruned to eliminate duplicates Z: 14 28.757 2.169 0.722 0.896 1.000 0.923 CA 1.530 14 residues pruned to eliminate duplicates Z: 14 21.296 1.951 0.543 0.833 1.000 0.846 CA 1.472 13 residues pruned to eliminate duplicates Z: 23 42.374 2.342 0.753 0.882 1.000 0.909 CB 1.592 23 residues pruned to eliminate duplicates Z: 15 31.527 2.235 0.623 0.949 1.000 0.929 CB 1.602 14 residues pruned to eliminate duplicates Z: 24 63.281 2.386 1.419 0.946 1.000 0.348 CB 1.581 24 residues pruned to eliminate duplicates Z: 17 45.832 2.298 1.053 0.921 1.000 1.000 CA 1.709 17 residues pruned to eliminate duplicates Z: 26 31.949 2.024 0.789 0.897 0.960 0.720 CB 1.316 Z: 26 41.853 2.173 1.050 0.816 0.960 0.720 CB 1.488 27 residues pruned to eliminate duplicates Z: 19 35.864 2.119 0.893 0.909 1.000 0.889 CA 1.496 19 residues pruned to eliminate duplicates Z: 25 41.690 2.244 0.885 0.929 0.958 0.667 CB 1.469 25 residues pruned to eliminate duplicates Z: 26 38.619 2.186 0.915 0.907 0.920 0.720 CB 1.426 26 residues pruned to eliminate duplicates Z: 14 32.629 2.209 1.256 0.898 0.923 0.615 CB 1.407 13 residues pruned to eliminate duplicates Z: 20 38.641 2.141 0.939 0.884 1.000 0.737 CB 1.543 20 residues pruned to eliminate duplicates Z: 18 42.400 2.296 1.249 0.893 0.882 0.647 CA 1.620 18 residues pruned to eliminate duplicates Z: 15 34.067 2.245 1.066 0.920 0.929 0.357 CA 1.489 15 residues pruned to eliminate duplicates Z: 15 26.725 1.999 0.831 0.901 1.000 0.786 CB 1.393 15 residues pruned to eliminate duplicates Z: 15 20.970 1.924 0.567 0.901 1.000 0.857 CA 1.326 15 residues pruned to eliminate duplicates Z: 17 47.128 2.283 1.105 0.915 1.000 0.875 CA 1.733 17 residues pruned to eliminate duplicates Z: 19 52.109 2.263 1.338 0.900 1.000 0.778 CA 1.659 19 residues pruned to eliminate duplicates Z: 16 35.473 2.070 1.483 0.922 1.000 0.733 CA 1.253 16 residues pruned to eliminate duplicates Z: 27 42.356 2.190 0.822 0.898 1.000 0.692 CB 1.489 27 residues pruned to eliminate duplicates Z: 13 26.938 2.082 0.930 0.898 1.000 0.917 CB 1.385 12 residues pruned to eliminate duplicates Z: 11 22.041 2.188 0.753 0.874 1.000 0.800 CB 1.322 11 residues pruned to eliminate duplicates Z: 16 28.953 2.095 0.803 0.809 1.000 0.667 CA 1.512 16 residues pruned to eliminate duplicates Z: 21 38.716 2.133 1.038 0.887 0.950 0.600 CB 1.512 21 residues pruned to eliminate duplicates Z: 15 34.939 2.123 1.356 0.837 0.929 0.357 CA 1.504 16 residues pruned to eliminate duplicates Z: 18 38.815 2.210 0.855 0.922 1.000 0.941 CA 1.615 18 residues pruned to eliminate duplicates Z: 17 40.717 2.279 0.979 0.925 0.938 0.875 CA 1.690 17 residues pruned to eliminate duplicates Z: 16 9.707 2.065 0.496 0.303 0.733 0.400 CA 1.378 3 residues pruned to eliminate duplicates Z: 46 29.121 2.047 0.794 0.581 0.822 0.489 CB 1.330 29 residues pruned to eliminate duplicates Z: 29 40.040 2.054 1.135 0.853 0.893 0.857 CB 1.428 18 residues pruned to eliminate duplicates Z: 27 43.880 2.159 0.928 0.923 1.000 0.769 CB 1.453 26 residues pruned to eliminate duplicates Z: 25 45.958 2.260 1.111 0.928 0.917 0.542 CB 1.502 25 residues pruned to eliminate duplicates Z: 21 42.644 2.134 1.094 0.925 1.000 0.600 CB 1.498 21 residues pruned to eliminate duplicates Z: 14 32.812 2.221 0.944 0.921 1.000 0.769 CB 1.484 14 residues pruned to eliminate duplicates Z: 20 40.911 2.191 1.072 0.923 0.895 0.474 CB 1.624 20 residues pruned to eliminate duplicates Z: 27 36.020 2.156 0.766 0.879 0.923 0.615 CB 1.458 27 residues pruned to eliminate duplicates Z: 14 34.318 2.236 1.155 0.898 0.923 0.462 CB 1.531 15 residues pruned to eliminate duplicates Z: 20 24.403 2.059 0.534 0.933 0.947 0.789 CB 1.306 19 residues pruned to eliminate duplicates Z: 14 18.736 1.815 0.828 0.761 1.000 0.692 CA 1.243 14 residues pruned to eliminate duplicates Z: 27 37.437 2.156 0.990 0.894 0.885 0.538 CB 1.388 27 residues pruned to eliminate duplicates Z: 14 23.259 2.146 0.543 0.644 1.000 0.846 CB 1.704 14 residues pruned to eliminate duplicates Z: 22 34.882 2.104 0.892 0.886 0.952 0.667 CB 1.449 22 residues pruned to eliminate duplicates Z: 13 19.873 1.791 0.680 0.851 1.000 0.833 CB 1.411 12 residues pruned to eliminate duplicates Z: 15 27.174 2.133 0.960 0.912 1.000 0.857 CA 1.230 15 residues pruned to eliminate duplicates Z: 14 37.462 2.342 1.318 0.893 0.923 0.538 CB 1.488 15 residues pruned to eliminate duplicates Z: 15 27.391 2.073 1.115 0.870 0.929 0.786 CB 1.312 15 residues pruned to eliminate duplicates Z: 107 60.540 2.132 0.912 0.626 0.887 0.623 CB 1.445 91 residues pruned to eliminate duplicates Z: 18 45.650 2.336 1.242 0.895 0.941 0.824 CA 1.611 18 residues pruned to eliminate duplicates Z: 16 22.893 1.852 0.854 0.854 1.000 0.733 CB 1.271 16 residues pruned to eliminate duplicates Z: 11 16.106 1.969 0.420 0.848 1.000 1.000 CB 1.351 11 residues pruned to eliminate duplicates Z: 15 26.033 2.098 1.061 0.814 0.857 0.714 CA 1.428 14 residues pruned to eliminate duplicates Z: 15 31.935 2.128 1.196 0.915 0.929 0.571 CA 1.390 15 residues pruned to eliminate duplicates Z: 11 15.631 1.906 0.340 0.866 1.000 0.800 CA 1.416 Z: 17 37.665 2.252 0.832 0.909 1.000 1.000 CA 1.620 17 residues pruned to eliminate duplicates Z: 21 37.798 2.177 0.732 0.931 1.000 0.950 CB 1.566 21 residues pruned to eliminate duplicates Z: 26 26.776 2.078 0.513 0.919 0.960 0.880 CB 1.251 26 residues pruned to eliminate duplicates Z: 19 31.940 2.090 0.674 0.932 1.000 0.944 CA 1.503 19 residues pruned to eliminate duplicates Z: 21 29.620 2.101 0.457 0.933 1.000 0.900 CB 1.510 21 residues pruned to eliminate duplicates Z: 17 19.392 1.858 0.616 0.877 0.812 0.812 CA 1.443 17 residues pruned to eliminate duplicates Z: 26 45.793 2.240 0.911 0.932 1.000 0.680 CB 1.494 26 residues pruned to eliminate duplicates Z: 21 42.318 2.136 1.087 0.927 1.000 0.550 CB 1.488 21 residues pruned to eliminate duplicates Z: 12 24.842 2.077 0.969 0.897 1.000 0.818 CB 1.311 12 residues pruned to eliminate duplicates Z: 25 41.366 2.236 0.694 0.904 1.000 0.917 CA 1.587 24 residues pruned to eliminate duplicates Z: 17 16.455 1.843 0.323 0.863 0.938 0.875 CA 1.320 17 residues pruned to eliminate duplicates Z: 11 13.958 1.976 0.250 0.819 0.900 0.700 CB 1.505 11 residues pruned to eliminate duplicates Z: 8 8.531 1.731 0.451 0.800 0.857 0.714 CB 1.153 8 residues pruned to eliminate duplicates Z: 15 20.752 2.115 0.639 0.565 0.929 0.857 CA 1.618 15 residues pruned to eliminate duplicates Z: 10 15.470 1.969 0.321 0.845 1.000 0.667 CB 1.474 10 residues pruned to eliminate duplicates Z: 22 42.108 2.087 1.178 0.900 0.952 0.619 CB 1.517 22 residues pruned to eliminate duplicates Z: 27 26.165 2.022 0.359 0.889 1.000 0.846 CB 1.345 27 residues pruned to eliminate duplicates Z: 26 35.311 2.214 0.504 0.911 1.000 0.760 CB 1.503 26 residues pruned to eliminate duplicates Z: 22 34.379 2.058 0.747 0.913 1.000 0.619 CB 1.476 22 residues pruned to eliminate duplicates Z: 15 26.159 2.051 0.695 0.902 0.929 0.643 CB 1.544 15 residues pruned to eliminate duplicates Z: 19 44.151 2.190 1.206 0.904 1.000 0.833 CA 1.534 19 residues pruned to eliminate duplicates Z: 14 26.189 2.054 0.600 0.911 1.000 1.000 CB 1.566 Z: 27 32.088 2.132 0.491 0.906 1.000 0.769 CA 1.408 27 residues pruned to eliminate duplicates Z: 17 22.421 1.936 0.690 0.895 0.875 0.625 CB 1.403 31 residues pruned to eliminate duplicates Z: 11 16.809 2.011 0.401 0.874 0.900 0.700 CB 1.525 11 residues pruned to eliminate duplicates Z: 21 32.362 2.148 0.544 0.917 1.000 0.800 CB 1.540 21 residues pruned to eliminate duplicates Z: 27 34.326 2.034 0.720 0.902 1.000 0.769 CB 1.372 27 residues pruned to eliminate duplicates Z: 26 36.911 2.163 0.633 0.900 1.000 0.760 CA 1.493 27 residues pruned to eliminate duplicates Z: 27 31.402 2.012 0.713 0.908 1.000 0.577 CB 1.269 27 residues pruned to eliminate duplicates Z: 15 25.646 2.020 0.725 0.894 0.929 0.714 CA 1.519 15 residues pruned to eliminate duplicates Z: 14 39.739 2.256 1.369 0.928 1.000 0.769 CA 1.444 14 residues pruned to eliminate duplicates Z: 11 16.315 1.963 0.281 0.901 1.000 1.000 CB 1.465 11 residues pruned to eliminate duplicates Z: 17 23.970 1.975 0.530 0.885 0.938 0.812 CA 1.528 17 residues pruned to eliminate duplicates Z: 26 37.501 2.190 0.816 0.907 0.920 0.600 CB 1.457 25 residues pruned to eliminate duplicates Z: 13 26.700 2.052 1.220 0.844 1.000 0.917 CB 1.259 13 residues pruned to eliminate duplicates Z: 18 41.577 2.170 0.983 0.917 1.000 0.882 CB 1.653 18 residues pruned to eliminate duplicates Z: 26 31.250 2.044 0.734 0.909 0.920 0.760 CB 1.360 26 residues pruned to eliminate duplicates Z: 27 28.747 2.002 0.661 0.900 0.923 0.731 CB 1.312 27 residues pruned to eliminate duplicates Z: 13 39.443 2.318 1.249 0.907 1.000 0.750 CB 1.552 13 residues pruned to eliminate duplicates Z: 17 33.071 2.174 0.906 0.919 1.000 0.625 CA 1.406 17 residues pruned to eliminate duplicates Z: 26 28.611 2.057 0.569 0.905 0.960 0.680 CB 1.314 26 residues pruned to eliminate duplicates Z: 22 45.962 2.076 1.397 0.903 0.952 0.381 CB 1.509 20 residues pruned to eliminate duplicates Z: 28 33.089 1.960 0.962 0.904 0.963 0.704 CB 1.224 27 residues pruned to eliminate duplicates Z: 14 19.214 1.908 0.412 0.873 1.000 0.923 CB 1.441 15 residues pruned to eliminate duplicates Z: 15 26.913 2.230 0.483 0.945 1.000 0.929 CB 1.504 15 residues pruned to eliminate duplicates Z: 12 24.505 1.919 0.983 0.943 1.000 0.909 CB 1.346 12 residues pruned to eliminate duplicates Z: 13 18.874 1.959 0.662 0.889 1.000 0.833 CB 1.204 13 residues pruned to eliminate duplicates Z: 14 33.692 2.246 1.028 0.918 1.000 0.769 CB 1.447 14 residues pruned to eliminate duplicates Z: 18 38.684 2.225 1.019 0.860 0.941 0.824 CA 1.632 18 residues pruned to eliminate duplicates Z: 22 27.204 2.013 0.776 0.834 0.857 0.524 CB 1.452 22 residues pruned to eliminate duplicates Z: 26 31.969 2.008 0.751 0.900 0.960 0.680 CB 1.353 26 residues pruned to eliminate duplicates Z: 11 14.072 1.941 0.172 0.865 1.000 0.800 CA 1.432 11 residues pruned to eliminate duplicates Z: 27 28.550 2.024 0.595 0.899 0.962 0.731 CB 1.289 27 residues pruned to eliminate duplicates Z: 6 3.860 1.668 -0.251 0.605 1.000 1.000 CB 1.251 Z: 11 12.527 1.980 0.292 0.857 0.900 0.900 CA 1.268 11 residues pruned to eliminate duplicates Z: 21 32.867 2.122 0.591 0.922 1.000 0.950 CA 1.531 21 residues pruned to eliminate duplicates Z: 15 30.822 2.312 0.523 0.934 1.000 0.929 CB 1.631 15 residues pruned to eliminate duplicates Z: 12 19.472 1.928 0.834 0.815 0.909 0.636 CB 1.388 12 residues pruned to eliminate duplicates Z: 16 23.005 2.026 0.461 0.887 1.000 0.800 CA 1.446 16 residues pruned to eliminate duplicates Z: 14 39.124 2.215 1.265 0.904 1.000 0.538 CB 1.540 14 residues pruned to eliminate duplicates Z: 12 18.951 1.976 0.897 0.845 0.909 0.636 CB 1.247 12 residues pruned to eliminate duplicates Z: 20 11.483 1.892 0.625 0.346 0.737 0.421 CB 1.375 20 residues pruned to eliminate duplicates Z: 15 45.687 2.182 1.593 0.933 1.000 0.714 CA 1.506 15 residues pruned to eliminate duplicates Z: 16 18.577 1.945 0.314 0.883 0.933 0.933 CB 1.454 Z: 10 5.480 1.807 0.411 0.272 0.889 0.222 CB 1.044 26 residues pruned to eliminate duplicates Z: 24 42.326 2.322 0.857 0.900 0.957 0.739 CB 1.528 24 residues pruned to eliminate duplicates Z: 18 50.133 2.341 1.324 0.927 1.000 0.941 CA 1.566 18 residues pruned to eliminate duplicates Z: 14 19.330 1.953 0.788 0.850 0.769 0.385 CA 1.479 14 residues pruned to eliminate duplicates Z: 13 33.946 2.265 1.297 0.909 0.917 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 15 28.828 2.096 0.920 0.876 0.929 0.786 CB 1.500 15 residues pruned to eliminate duplicates Z: 8 8.951 1.967 0.461 0.587 1.000 1.000 CB 1.084 Z: 13 30.994 2.282 1.099 0.924 0.917 0.667 CB 1.432 13 residues pruned to eliminate duplicates Z: 14 15.004 1.938 0.282 0.825 0.923 0.846 CA 1.370 14 residues pruned to eliminate duplicates Z: 21 34.344 2.136 0.674 0.913 1.000 0.900 CA 1.520 21 residues pruned to eliminate duplicates Z: 26 29.519 2.072 0.563 0.911 1.000 0.840 CB 1.292 26 residues pruned to eliminate duplicates Z: 12 15.650 1.969 0.513 0.836 0.909 0.909 CB 1.304 12 residues pruned to eliminate duplicates Z: 18 27.619 2.109 0.515 0.860 1.000 0.882 CA 1.542 18 residues pruned to eliminate duplicates Z: 19 50.514 2.289 1.372 0.888 0.944 0.778 CA 1.673 19 residues pruned to eliminate duplicates Z: 15 18.339 2.092 0.452 0.593 0.929 0.714 CB 1.590 15 residues pruned to eliminate duplicates Z: 25 28.054 2.034 0.461 0.896 1.000 0.833 CB 1.380 25 residues pruned to eliminate duplicates Z: 14 23.093 1.952 0.682 0.828 1.000 0.769 CB 1.469 13 residues pruned to eliminate duplicates Z: 7 11.228 2.140 0.269 0.707 1.000 0.833 CB 1.398 7 residues pruned to eliminate duplicates Z: 16 30.670 2.029 0.981 0.866 0.933 0.533 CA 1.545 16 residues pruned to eliminate duplicates Z: 24 33.615 2.330 0.425 0.947 1.000 1.000 CA 1.459 24 residues pruned to eliminate duplicates Z: 27 35.155 2.114 0.736 0.880 1.000 0.692 CB 1.362 27 residues pruned to eliminate duplicates Z: 24 53.281 2.396 0.907 0.946 1.000 0.913 CB 1.681 24 residues pruned to eliminate duplicates Z: 12 19.465 1.891 0.595 0.874 1.000 0.636 CB 1.417 13 residues pruned to eliminate duplicates Z: 15 33.886 2.146 1.193 0.832 0.929 0.643 CA 1.555 15 residues pruned to eliminate duplicates Z: 13 19.688 1.890 0.747 0.890 1.000 0.750 CB 1.238 Z: 11 22.852 2.008 0.923 0.919 1.000 1.000 CB 1.319 11 residues pruned to eliminate duplicates Z: 16 25.260 1.917 0.829 0.843 0.933 0.467 CA 1.484 16 residues pruned to eliminate duplicates Z: 12 17.254 2.037 1.049 0.804 0.909 0.727 CB 1.052 12 residues pruned to eliminate duplicates Z: 19 43.318 2.249 1.246 0.869 0.889 0.722 CA 1.661 19 residues pruned to eliminate duplicates Z: 13 12.514 1.888 0.169 0.878 0.917 0.750 CA 1.295 13 residues pruned to eliminate duplicates Z: 13 41.693 2.291 1.434 0.940 1.000 0.750 CB 1.499 13 residues pruned to eliminate duplicates Z: 24 48.276 2.281 1.107 0.870 0.957 0.609 CB 1.598 24 residues pruned to eliminate duplicates Z: 16 30.140 2.098 1.160 0.896 0.933 0.733 CA 1.318 16 residues pruned to eliminate duplicates Z: 25 29.284 2.072 0.476 0.923 1.000 0.917 CB 1.373 25 residues pruned to eliminate duplicates Z: 15 28.547 2.003 1.050 0.898 0.929 0.714 CB 1.431 15 residues pruned to eliminate duplicates Z: 27 26.088 1.966 0.409 0.893 1.000 0.846 CA 1.327 27 residues pruned to eliminate duplicates Z: 27 36.374 2.167 0.746 0.887 0.923 0.808 CB 1.472 27 residues pruned to eliminate duplicates Z: 11 13.973 1.870 0.156 0.847 1.000 0.500 CA 1.518 11 residues pruned to eliminate duplicates Z: 43 32.960 2.098 0.829 0.619 0.905 0.595 CB 1.309 43 residues pruned to eliminate duplicates Z: 26 31.820 2.207 0.391 0.899 1.000 0.800 CB 1.481 26 residues pruned to eliminate duplicates Z: 26 28.122 2.027 0.660 0.880 0.920 0.760 CB 1.316 26 residues pruned to eliminate duplicates Z: 25 34.073 2.101 0.701 0.922 1.000 0.792 CB 1.368 25 residues pruned to eliminate duplicates Z: 15 17.180 1.713 0.828 0.881 1.000 0.786 CB 1.062 Z: 13 23.176 1.924 0.893 0.916 1.000 0.750 CB 1.298 13 residues pruned to eliminate duplicates Z: 15 29.285 2.153 1.223 0.862 0.857 0.571 CA 1.400 15 residues pruned to eliminate duplicates Z: 15 22.119 1.983 1.104 0.852 0.786 0.571 CB 1.334 15 residues pruned to eliminate duplicates Z: 73 55.965 2.131 0.782 0.680 0.972 0.667 CA 1.514 73 residues pruned to eliminate duplicates Z: 12 22.571 2.211 0.588 0.828 1.000 0.818 CB 1.460 12 residues pruned to eliminate duplicates Z: 13 14.803 1.779 0.515 0.910 1.000 0.833 CA 1.124 13 residues pruned to eliminate duplicates Z: 11 13.786 1.845 0.337 0.874 1.000 0.700 CB 1.286 11 residues pruned to eliminate duplicates Z: 27 35.761 2.177 0.647 0.880 0.962 0.769 CA 1.474 27 residues pruned to eliminate duplicates Z: 11 12.620 1.840 0.437 0.851 0.900 0.800 CB 1.242 11 residues pruned to eliminate duplicates Z: 55 55.958 2.201 0.978 0.664 0.963 0.722 CB 1.560 55 residues pruned to eliminate duplicates Z: 14 21.339 2.052 0.623 0.553 1.000 0.692 CB 1.687 14 residues pruned to eliminate duplicates Z: 8 15.196 1.858 0.609 0.900 1.000 0.571 CB 1.372 8 residues pruned to eliminate duplicates Z: 10 7.642 1.599 0.047 0.890 1.000 0.889 CB 1.094 Z: 8 5.369 1.782 0.365 0.332 0.857 0.429 CB 1.170 Z: 15 28.481 1.987 1.010 0.862 1.000 0.571 CB 1.399 15 residues pruned to eliminate duplicates Z: 14 33.104 2.195 1.201 0.927 0.923 0.538 CB 1.443 14 residues pruned to eliminate duplicates Z: 30 17.720 1.904 0.583 0.586 0.862 0.690 CB 1.166 30 residues pruned to eliminate duplicates Z: 7 8.040 1.775 0.706 0.528 0.833 0.833 CA 1.265 Z: 59 58.533 2.243 0.842 0.697 0.948 0.724 CB 1.639 55 residues pruned to eliminate duplicates Z: 26 34.550 2.207 0.620 0.903 0.960 0.640 CB 1.435 26 residues pruned to eliminate duplicates Z: 24 17.236 1.991 0.607 0.450 0.826 0.522 CB 1.431 24 residues pruned to eliminate duplicates Z: 8 10.249 1.942 0.861 0.627 1.000 0.857 CB 0.951 8 residues pruned to eliminate duplicates Z: 6 5.573 2.079 0.042 0.827 0.800 0.800 CB 1.084 6 residues pruned to eliminate duplicates Z: 25 33.974 2.069 0.832 0.924 0.958 0.708 CB 1.341 26 residues pruned to eliminate duplicates Z: 25 34.215 2.153 0.611 0.906 1.000 0.917 CB 1.432 25 residues pruned to eliminate duplicates Z: 16 17.624 1.862 0.629 0.866 0.867 0.867 CB 1.267 15 residues pruned to eliminate duplicates Z: 15 19.888 2.035 0.362 0.901 0.929 0.857 CB 1.474 15 residues pruned to eliminate duplicates Z: 53 61.351 2.235 1.076 0.680 0.981 0.731 CA 1.584 53 residues pruned to eliminate duplicates Z: 26 42.044 2.201 0.960 0.885 0.960 0.600 CB 1.466 26 residues pruned to eliminate duplicates Z: 13 37.334 2.304 1.192 0.933 1.000 0.833 CB 1.489 13 residues pruned to eliminate duplicates Z: 12 19.980 1.897 0.727 0.903 1.000 0.909 CA 1.311 12 residues pruned to eliminate duplicates Z: 11 16.580 1.985 0.470 0.901 1.000 0.900 CB 1.283 11 residues pruned to eliminate duplicates Z: 21 32.780 2.121 0.595 0.916 1.000 0.800 CA 1.530 21 residues pruned to eliminate duplicates Z: 11 16.222 2.004 0.470 0.828 0.900 0.800 CB 1.457 11 residues pruned to eliminate duplicates Z: 11 20.294 2.035 0.452 0.881 1.000 0.700 CB 1.573 11 residues pruned to eliminate duplicates Z: 14 32.912 2.200 1.291 0.923 0.923 0.692 CB 1.378 14 residues pruned to eliminate duplicates Z: 10 15.115 1.896 0.575 0.836 0.889 0.556 CA 1.421 10 residues pruned to eliminate duplicates Z: 17 46.472 2.230 1.291 0.935 1.000 0.688 CB 1.584 17 residues pruned to eliminate duplicates Z: 16 23.108 1.882 1.044 0.888 1.000 0.533 CB 1.118 16 residues pruned to eliminate duplicates Z: 13 6.588 1.854 0.695 0.196 0.750 0.417 CB 1.160 9 residues pruned to eliminate duplicates Z: 15 28.367 2.016 1.021 0.907 0.929 0.571 CB 1.425 16 residues pruned to eliminate duplicates Z: 17 27.195 2.189 0.665 0.899 1.000 0.688 CB 1.334 17 residues pruned to eliminate duplicates Z: 15 16.377 1.855 0.337 0.880 0.929 0.786 CB 1.376 15 residues pruned to eliminate duplicates Z: 15 14.339 1.852 0.558 0.778 0.929 0.714 CA 1.119 14 residues pruned to eliminate duplicates Z: 15 23.321 1.915 0.660 0.862 1.000 0.786 CA 1.440 15 residues pruned to eliminate duplicates Z: 10 7.721 1.678 -0.023 0.907 1.000 0.889 CB 1.115 10 residues pruned to eliminate duplicates Z: 15 15.906 1.742 0.645 0.874 0.929 0.857 CB 1.162 15 residues pruned to eliminate duplicates Z: 25 31.790 2.109 0.545 0.922 1.000 0.917 CB 1.400 25 residues pruned to eliminate duplicates Z: 13 22.866 1.901 1.091 0.887 0.917 0.583 CA 1.307 13 residues pruned to eliminate duplicates Z: 15 27.917 2.128 1.163 0.903 0.929 0.643 CA 1.244 15 residues pruned to eliminate duplicates Z: 15 14.469 1.712 0.630 0.881 0.929 0.929 CB 1.080 15 residues pruned to eliminate duplicates Z: 15 42.547 2.188 1.437 0.893 1.000 0.571 CA 1.530 15 residues pruned to eliminate duplicates Z: 63 35.526 2.016 0.590 0.652 0.887 0.581 CB 1.377 62 residues pruned to eliminate duplicates Z: 26 26.166 2.064 0.389 0.915 1.000 0.880 CB 1.290 26 residues pruned to eliminate duplicates Z: 20 26.145 2.070 0.526 0.904 0.947 0.895 CA 1.427 20 residues pruned to eliminate duplicates Z: 21 22.631 2.025 0.307 0.939 1.000 1.000 CA 1.328 21 residues pruned to eliminate duplicates Z: 16 19.264 1.994 0.366 0.855 0.933 0.933 CA 1.443 16 residues pruned to eliminate duplicates Z: 49 37.209 2.041 0.672 0.579 0.979 0.667 CB 1.490 49 residues pruned to eliminate duplicates Z: 26 34.524 2.147 0.713 0.885 0.960 0.800 CB 1.413 26 residues pruned to eliminate duplicates Z: 9 4.287 1.505 0.874 0.266 0.625 0.250 CB 1.122 9 residues pruned to eliminate duplicates Z: 67 63.327 2.208 0.950 0.708 0.939 0.712 CA 1.596 67 residues pruned to eliminate duplicates Z: 13 13.625 1.888 0.298 0.893 1.000 0.833 CA 1.152 13 residues pruned to eliminate duplicates Z: 27 41.691 2.145 1.011 0.902 0.962 0.462 CB 1.406 27 residues pruned to eliminate duplicates Z: 25 23.628 2.002 0.273 0.899 1.000 0.875 CB 1.353 25 residues pruned to eliminate duplicates Z: 12 23.185 2.002 0.731 0.902 1.000 0.455 CB 1.438 13 residues pruned to eliminate duplicates Z: 33 31.258 2.032 0.790 0.777 0.969 0.562 CB 1.228 33 residues pruned to eliminate duplicates Z: 25 19.415 1.984 0.205 0.912 1.000 1.000 CA 1.174 25 residues pruned to eliminate duplicates Z: 44 33.032 2.074 0.853 0.598 0.884 0.628 CB 1.350 44 residues pruned to eliminate duplicates Z: 11 16.043 1.926 0.462 0.883 1.000 0.500 CB 1.303 11 residues pruned to eliminate duplicates Z: 36 30.636 2.048 0.651 0.617 0.943 0.714 CB 1.454 36 residues pruned to eliminate duplicates Z: 26 31.272 2.072 0.606 0.907 0.960 0.800 CB 1.392 26 residues pruned to eliminate duplicates Z: 7 6.747 1.711 0.619 0.702 0.667 0.500 CA 1.242 7 residues pruned to eliminate duplicates Z: 14 29.753 2.077 1.086 0.914 1.000 0.769 CB 1.347 15 residues pruned to eliminate duplicates Z: 15 22.102 2.034 0.550 0.909 0.929 0.929 CB 1.432 15 residues pruned to eliminate duplicates Z: 18 13.618 1.770 0.403 0.548 0.882 0.647 CB 1.439 18 residues pruned to eliminate duplicates Z: 29 35.645 2.258 0.854 0.636 0.929 0.750 CB 1.525 29 residues pruned to eliminate duplicates Z: 11 7.889 1.513 0.319 0.786 1.000 0.200 CB 0.972 Z: 26 33.297 2.027 0.928 0.919 1.000 0.440 CB 1.201 26 residues pruned to eliminate duplicates Z: 42 33.346 2.085 0.820 0.632 0.902 0.610 CB 1.344 42 residues pruned to eliminate duplicates Z: 21 14.845 1.833 0.497 0.689 0.950 0.650 CB 1.071 21 residues pruned to eliminate duplicates Z: 51 47.426 2.110 0.799 0.712 0.980 0.720 CB 1.487 51 residues pruned to eliminate duplicates Z: 42 21.982 1.746 0.625 0.641 0.927 0.512 CB 1.144 24 residues pruned to eliminate duplicates Z: 7 17.927 2.061 0.915 0.865 1.000 1.000 CB 1.358 7 residues pruned to eliminate duplicates Z: 19 38.177 2.118 1.137 0.893 1.000 0.889 CA 1.426 19 residues pruned to eliminate duplicates Z: 26 44.684 2.159 1.116 0.901 1.000 0.600 CB 1.396 26 residues pruned to eliminate duplicates Z: 12 15.012 1.837 0.441 0.814 1.000 0.545 CA 1.301 12 residues pruned to eliminate duplicates Z: 12 9.556 1.537 0.436 0.874 0.909 0.545 CB 1.046 12 residues pruned to eliminate duplicates Z: 43 36.969 2.116 0.873 0.623 0.929 0.619 CB 1.380 43 residues pruned to eliminate duplicates Z: 32 32.768 2.084 0.810 0.773 0.903 0.516 CB 1.357 32 residues pruned to eliminate duplicates Z: 25 19.127 1.981 0.100 0.917 0.958 0.875 CB 1.320 25 residues pruned to eliminate duplicates Z: 26 25.503 2.023 0.391 0.896 1.000 1.000 CA 1.298 26 residues pruned to eliminate duplicates Z: 13 16.128 2.048 0.335 0.897 0.917 0.750 CB 1.329 13 residues pruned to eliminate duplicates Z: 9 11.788 1.910 0.367 0.855 0.875 0.375 CA 1.347 9 residues pruned to eliminate duplicates Z: 6 17.363 1.820 1.204 0.801 1.000 1.000 N 1.488 7 residues pruned to eliminate duplicates Z: 23 13.437 1.921 0.584 0.412 0.818 0.455 CB 1.262 14 residues pruned to eliminate duplicates Z: 7 9.718 1.821 0.917 0.658 0.833 0.500 CB 1.178 7 residues pruned to eliminate duplicates Z: 33 28.892 2.049 0.970 0.493 0.906 0.500 CB 1.405 33 residues pruned to eliminate duplicates Z: 43 37.397 2.054 0.907 0.655 0.881 0.667 CB 1.448 43 residues pruned to eliminate duplicates Z: 15 25.642 1.953 0.979 0.916 0.929 0.714 CA 1.348 15 residues pruned to eliminate duplicates Z: 7 3.221 1.537 0.331 0.220 0.833 0.333 CB 1.071 Z: 18 40.950 2.111 1.134 0.938 1.000 0.882 CB 1.534 18 residues pruned to eliminate duplicates Z: 6 3.837 1.581 -0.271 0.775 1.000 0.800 CB 1.169 Z: 12 8.365 1.532 0.248 0.812 0.909 0.727 CB 1.106 12 residues pruned to eliminate duplicates Z: 15 18.793 2.062 0.898 0.484 0.929 0.786 CB 1.404 18 residues pruned to eliminate duplicates Z: 27 28.946 2.121 0.521 0.858 0.962 0.654 CB 1.348 27 residues pruned to eliminate duplicates Z: 14 9.764 1.753 0.222 0.916 0.923 0.846 CB 0.968 14 residues pruned to eliminate duplicates Z: 68 53.861 2.135 0.849 0.711 0.896 0.642 CA 1.538 68 residues pruned to eliminate duplicates Z: 10 13.564 2.003 0.458 0.852 0.889 0.778 CB 1.288 10 residues pruned to eliminate duplicates Z: 15 27.584 1.997 0.888 0.882 0.929 0.714 CA 1.523 15 residues pruned to eliminate duplicates Z: 10 9.001 1.639 0.350 0.881 0.889 0.778 CB 1.104 10 residues pruned to eliminate duplicates Z: 14 13.315 1.781 0.410 0.937 0.923 0.923 CB 1.109 14 residues pruned to eliminate duplicates Z: 19 19.374 2.012 0.244 0.899 1.000 0.889 CB 1.304 19 residues pruned to eliminate duplicates Z: 10 8.775 1.978 0.643 0.440 0.778 0.333 CB 1.230 10 residues pruned to eliminate duplicates Z: 7 5.255 1.669 0.048 0.547 0.833 0.667 CB 1.406 Z: 62 71.214 2.245 0.998 0.784 0.984 0.787 CB 1.609 67 residues pruned to eliminate duplicates Z: 37 26.154 1.955 0.416 0.732 0.972 0.667 CB 1.314 37 residues pruned to eliminate duplicates Z: 36 49.397 2.261 1.102 0.674 0.971 0.600 CB 1.541 36 residues pruned to eliminate duplicates Z: 12 13.713 1.832 0.806 0.804 0.909 0.545 CB 1.054 12 residues pruned to eliminate duplicates Z: 30 19.459 2.004 0.736 0.488 0.793 0.552 CB 1.325 30 residues pruned to eliminate duplicates Z: 10 20.802 2.060 0.892 0.899 1.000 1.000 CB 1.272 10 residues pruned to eliminate duplicates Z: 10 15.734 2.074 0.667 0.537 1.000 0.889 CB 1.463 10 residues pruned to eliminate duplicates Z: 14 18.831 1.807 1.126 0.873 0.923 0.538 CB 1.073 14 residues pruned to eliminate duplicates Z: 11 7.400 1.532 0.284 0.852 1.000 0.600 CB 0.880 11 residues pruned to eliminate duplicates Z: 7 2.781 1.242 0.365 0.346 0.833 0.500 N 0.950 Z: 9 9.149 1.689 0.232 0.911 1.000 0.625 CB 1.102 9 residues pruned to eliminate duplicates Z: 31 42.473 2.209 0.766 0.778 0.967 0.867 CA 1.610 33 residues pruned to eliminate duplicates Z: 7 6.529 1.662 0.451 0.457 1.000 0.333 CA 1.154 Z: 7 6.596 1.639 0.262 0.794 0.833 0.833 CB 1.207 7 residues pruned to eliminate duplicates Z: 21 33.104 2.114 0.558 0.938 1.000 0.950 CB 1.563 21 residues pruned to eliminate duplicates Z: 25 21.850 2.001 0.330 0.891 1.000 0.792 CB 1.205 25 residues pruned to eliminate duplicates Z: 26 31.967 2.056 0.713 0.928 0.960 0.680 CB 1.324 25 residues pruned to eliminate duplicates Z: 26 27.155 1.996 0.522 0.911 0.960 0.800 CB 1.320 26 residues pruned to eliminate duplicates Z: 10 9.065 1.669 0.107 0.926 1.000 0.889 CB 1.147 10 residues pruned to eliminate duplicates Z: 18 32.156 2.198 0.947 0.645 1.000 0.647 CB 1.592 18 residues pruned to eliminate duplicates Z: 15 27.316 1.967 1.064 0.905 1.000 0.643 CA 1.279 14 residues pruned to eliminate duplicates Z: 28 43.737 2.288 1.048 0.600 0.963 0.741 CB 1.696 28 residues pruned to eliminate duplicates Z: 14 14.729 1.757 0.808 0.944 0.923 0.846 CB 0.965 14 residues pruned to eliminate duplicates Z: 8 4.272 1.625 0.025 0.366 0.857 0.286 CB 1.306 7 residues pruned to eliminate duplicates 6 1.380 1.137 0.641 0.294 0.600 0.600 CB 0.694 ? Z: 11 17.800 1.934 0.936 0.896 0.900 0.700 CB 1.196 11 residues pruned to eliminate duplicates Z: 14 12.666 1.744 0.474 0.916 0.923 0.923 CB 1.045 14 residues pruned to eliminate duplicates Z: 26 32.464 2.012 1.027 0.915 0.920 0.480 CB 1.223 26 residues pruned to eliminate duplicates Z: 14 6.515 1.528 0.195 0.698 1.000 0.769 CB 0.826 14 residues pruned to eliminate duplicates Z: 21 21.216 2.078 0.682 0.618 0.950 0.750 CA 1.278 21 residues pruned to eliminate duplicates Z: 20 20.036 2.034 0.610 0.506 0.895 0.789 CB 1.560 20 residues pruned to eliminate duplicates Z: 17 26.686 2.221 0.944 0.675 0.812 0.438 CB 1.619 17 residues pruned to eliminate duplicates Z: 15 22.081 1.900 0.677 0.920 1.000 0.929 CA 1.305 15 residues pruned to eliminate duplicates Z: 25 30.766 2.161 0.436 0.922 1.000 0.875 CA 1.423 25 residues pruned to eliminate duplicates Z: 17 23.054 1.951 0.678 0.876 0.875 0.812 CB 1.462 17 residues pruned to eliminate duplicates Z: 15 12.061 1.601 0.333 0.888 1.000 0.929 CB 1.088 15 residues pruned to eliminate duplicates Z: 7 2.999 1.564 0.065 0.504 0.833 0.333 CB 0.878 Z: 64 35.216 1.984 0.643 0.623 0.921 0.587 CB 1.317 64 residues pruned to eliminate duplicates Z: 10 10.530 1.656 0.404 0.868 1.000 0.333 CB 1.104 10 residues pruned to eliminate duplicates Z: 33 32.741 2.143 0.467 0.781 1.000 0.844 CB 1.438 33 residues pruned to eliminate duplicates Z: 9 9.173 1.634 0.250 0.871 1.000 0.875 CB 1.158 9 residues pruned to eliminate duplicates Z: 14 21.724 1.965 0.481 0.913 1.000 0.923 CA 1.465 14 residues pruned to eliminate duplicates Z: 6 4.098 1.385 0.606 0.627 0.800 0.600 N 0.914 Z: 51 57.714 2.249 0.987 0.675 0.980 0.780 CB 1.586 51 residues pruned to eliminate duplicates Z: 14 16.164 1.843 0.559 0.875 0.846 0.769 CB 1.342 14 residues pruned to eliminate duplicates Z: 35 23.920 2.010 0.316 0.736 0.971 0.706 CB 1.293 32 residues pruned to eliminate duplicates Z: 7 7.064 1.737 0.493 0.411 0.833 0.667 C 1.465 5 residues pruned to eliminate duplicates Z: 14 10.757 1.754 0.187 0.917 0.923 0.846 CB 1.095 14 residues pruned to eliminate duplicates Z: 30 24.375 1.999 0.346 0.858 0.931 0.724 CB 1.330 30 residues pruned to eliminate duplicates Z: 14 14.652 1.747 0.679 0.837 0.846 0.615 CA 1.225 14 residues pruned to eliminate duplicates 6 1.529 1.380 0.063 0.283 0.600 0.400 N 0.993 ? Z: 9 8.965 1.932 0.685 0.269 1.000 0.375 CA 1.267 9 residues pruned to eliminate duplicates Z: 6 5.622 1.848 0.582 0.742 0.600 0.600 CB 1.154 6 residues pruned to eliminate duplicates Z: 10 5.592 1.538 0.459 0.463 0.778 0.444 CA 1.109 Z: 11 19.805 1.881 0.575 0.912 1.000 0.700 CA 1.496 11 residues pruned to eliminate duplicates Z: 65 62.012 2.206 0.938 0.721 0.969 0.781 CA 1.532 65 residues pruned to eliminate duplicates Z: 26 37.127 2.191 0.705 0.909 0.960 0.760 CB 1.469 26 residues pruned to eliminate duplicates Z: 14 28.300 2.044 1.115 0.820 0.923 0.538 CA 1.490 14 residues pruned to eliminate duplicates Z: 15 32.925 2.157 1.187 0.855 0.929 0.714 CA 1.483 15 residues pruned to eliminate duplicates Z: 13 30.503 2.067 1.166 0.949 1.000 0.917 CB 1.358 13 residues pruned to eliminate duplicates Z: 6 4.865 1.281 0.778 0.863 1.000 0.800 CB 0.701 Z: 15 11.355 1.686 0.338 0.913 0.929 0.786 CB 1.025 15 residues pruned to eliminate duplicates Z: 14 11.120 1.749 0.373 0.875 0.923 0.692 CB 1.012 14 residues pruned to eliminate duplicates Z: 9 9.420 1.700 0.198 0.910 1.000 0.875 CB 1.160 9 residues pruned to eliminate duplicates Z: 6 3.182 1.674 0.248 0.160 1.000 0.400 CB 1.032 Z: 15 32.371 2.131 1.113 0.871 1.000 0.286 CA 1.402 15 residues pruned to eliminate duplicates Z: 18 37.871 2.156 0.908 0.917 1.000 0.941 CA 1.576 18 residues pruned to eliminate duplicates Z: 10 10.875 1.673 0.570 0.864 0.778 0.667 CA 1.301 10 residues pruned to eliminate duplicates Z: 7 8.146 1.871 0.862 0.661 0.667 0.500 CA 1.233 Z: 26 31.389 1.987 0.630 0.911 1.000 0.560 CB 1.373 26 residues pruned to eliminate duplicates Z: 9 12.086 1.808 0.598 0.878 0.750 0.375 CB 1.431 9 residues pruned to eliminate duplicates Z: 16 29.529 1.978 0.980 0.880 0.933 0.733 CA 1.511 16 residues pruned to eliminate duplicates Z: 15 29.481 2.167 0.832 0.852 0.929 0.571 CB 1.580 15 residues pruned to eliminate duplicates Z: 12 21.618 2.015 1.024 0.918 1.000 0.727 CB 1.127 12 residues pruned to eliminate duplicates Z: 44 37.827 2.105 0.827 0.626 0.953 0.558 CB 1.398 44 residues pruned to eliminate duplicates Z: 27 29.009 2.141 0.395 0.909 0.923 0.846 CA 1.464 27 residues pruned to eliminate duplicates Z: 6 3.743 1.393 0.615 0.276 1.000 0.800 C 0.959 Z: 19 16.514 1.774 0.380 0.682 0.944 0.611 CB 1.424 19 residues pruned to eliminate duplicates Z: 7 9.052 1.812 0.132 0.905 1.000 1.000 CB 1.282 7 residues pruned to eliminate duplicates Z: 19 17.223 1.839 0.648 0.751 0.889 0.722 CB 1.205 20 residues pruned to eliminate duplicates Z: 14 6.801 1.822 0.230 0.376 0.923 0.538 CB 1.041 15 residues pruned to eliminate duplicates Z: 87 40.260 1.929 0.848 0.602 0.872 0.593 CB 1.267 90 residues pruned to eliminate duplicates Z: 10 19.641 2.011 0.470 0.878 1.000 0.889 CB 1.607 10 residues pruned to eliminate duplicates Z: 12 7.922 1.674 0.412 0.737 1.000 0.818 CB 0.817 12 residues pruned to eliminate duplicates Z: 36 22.422 1.913 0.466 0.752 0.914 0.714 CB 1.181 36 residues pruned to eliminate duplicates 6 1.091 1.465 0.469 0.272 0.600 0.600 CB 0.490 ? 6 1.261 1.313 -0.038 0.314 0.800 0.600 C 0.686 ? Using tripeptides from previous cycle as seeds Z: 43 35.407 2.097 1.002 0.657 0.857 0.595 CB 1.312 45 residues pruned to eliminate duplicates Z: 6 4.803 1.392 0.843 0.461 1.000 0.400 CB 0.872 6 residues pruned to eliminate duplicates Z: 12 11.440 1.919 0.684 0.384 0.909 0.545 CB 1.327 12 residues pruned to eliminate duplicates Z: 42 33.934 2.109 0.822 0.641 0.902 0.585 CB 1.339 42 residues pruned to eliminate duplicates Z: 6 8.544 1.660 1.052 0.477 1.000 0.800 CB 1.148 6 residues pruned to eliminate duplicates Z: 42 38.961 2.125 0.929 0.641 0.927 0.585 CB 1.404 42 residues pruned to eliminate duplicates Z: 44 35.915 2.100 0.894 0.645 0.907 0.605 CB 1.326 43 residues pruned to eliminate duplicates Z: 6 4.308 1.431 0.567 0.359 0.800 0.200 CA 1.249 6 residues pruned to eliminate duplicates Z: 26 30.490 2.234 0.987 0.564 0.840 0.560 CB 1.536 26 residues pruned to eliminate duplicates Z: 45 36.591 2.077 0.831 0.616 0.932 0.545 CB 1.395 45 residues pruned to eliminate duplicates Z: 44 35.641 2.089 0.873 0.639 0.907 0.558 CB 1.344 44 residues pruned to eliminate duplicates Z: 44 32.838 2.069 0.913 0.631 0.860 0.581 CB 1.300 45 residues pruned to eliminate duplicates Z: 15 26.465 2.200 0.903 0.793 0.857 0.714 CB 1.524 15 residues pruned to eliminate duplicates Z: 43 40.793 2.141 1.031 0.649 0.905 0.667 CB 1.393 43 residues pruned to eliminate duplicates Z: 45 38.094 2.087 0.962 0.637 0.909 0.523 CB 1.356 45 residues pruned to eliminate duplicates Z: 43 41.217 2.148 1.019 0.646 0.929 0.619 CB 1.378 43 residues pruned to eliminate duplicates Z: 33 34.918 2.112 0.984 0.716 0.938 0.562 CB 1.292 33 residues pruned to eliminate duplicates Z: 30 38.434 2.153 1.027 0.801 0.966 0.724 CB 1.302 30 residues pruned to eliminate duplicates Z: 15 38.400 2.089 1.278 0.903 1.000 0.857 CB 1.537 15 residues pruned to eliminate duplicates Z: 41 34.498 2.072 0.865 0.641 0.925 0.575 CB 1.337 39 residues pruned to eliminate duplicates Z: 14 30.339 2.206 1.396 0.811 0.846 0.846 CB 1.435 14 residues pruned to eliminate duplicates Z: 44 37.057 2.094 0.854 0.654 0.907 0.628 CB 1.391 46 residues pruned to eliminate duplicates Z: 15 32.006 2.136 1.368 0.777 0.929 0.714 CB 1.427 15 residues pruned to eliminate duplicates Z: 44 39.633 2.099 0.951 0.643 0.953 0.628 CB 1.354 43 residues pruned to eliminate duplicates Z: 15 31.253 2.212 1.162 0.829 0.929 0.571 CB 1.415 15 residues pruned to eliminate duplicates Z: 35 29.203 2.122 0.796 0.552 0.882 0.647 CB 1.415 35 residues pruned to eliminate duplicates Z: 43 40.740 2.136 0.965 0.657 0.952 0.619 CB 1.360 43 residues pruned to eliminate duplicates Z: 20 19.353 1.890 0.927 0.686 0.895 0.474 CB 1.148 20 residues pruned to eliminate duplicates Z: 18 16.506 1.920 0.717 0.747 0.941 0.588 CB 1.035 18 residues pruned to eliminate duplicates Z: 15 16.682 1.856 0.766 0.652 1.000 0.643 CB 1.181 15 residues pruned to eliminate duplicates Z: 15 23.858 1.982 0.930 0.807 1.000 0.857 CB 1.275 15 residues pruned to eliminate duplicates Z: 43 38.761 2.119 0.876 0.657 0.976 0.619 CB 1.331 44 residues pruned to eliminate duplicates Z: 12 19.103 1.921 0.523 0.831 1.000 0.636 CB 1.479 11 residues pruned to eliminate duplicates Z: 12 17.750 1.870 0.529 0.823 1.000 0.818 CB 1.415 12 residues pruned to eliminate duplicates Z: 16 21.439 1.955 0.875 0.774 1.000 0.667 CB 1.185 16 residues pruned to eliminate duplicates Z: 18 20.806 1.931 0.925 0.778 1.000 0.471 CB 1.062 18 residues pruned to eliminate duplicates Z: 16 23.516 2.001 0.920 0.795 1.000 0.667 CB 1.220 16 residues pruned to eliminate duplicates Z: 18 20.225 1.939 0.771 0.749 1.000 0.647 CB 1.143 18 residues pruned to eliminate duplicates Z: 45 34.069 2.058 0.932 0.624 0.886 0.614 CB 1.297 45 residues pruned to eliminate duplicates Z: 44 39.228 2.107 0.962 0.641 0.953 0.581 CB 1.330 44 residues pruned to eliminate duplicates Z: 17 22.905 1.896 0.875 0.770 0.938 0.750 CB 1.353 17 residues pruned to eliminate duplicates Z: 38 19.193 1.726 0.566 0.590 0.892 0.514 CB 1.201 38 residues pruned to eliminate duplicates Z: 6 3.019 1.647 0.081 0.194 0.800 0.400 N 1.367 6 residues pruned to eliminate duplicates Z: 40 17.420 1.748 0.582 0.574 0.821 0.436 CB 1.145 41 residues pruned to eliminate duplicates Z: 16 14.590 1.849 0.450 0.756 0.867 0.733 CB 1.292 16 residues pruned to eliminate duplicates Z: 42 17.746 1.740 0.481 0.619 0.829 0.585 CB 1.159 42 residues pruned to eliminate duplicates Z: 21 14.797 1.929 0.479 0.542 0.850 0.600 CB 1.309 21 residues pruned to eliminate duplicates Z: 43 21.041 1.732 0.557 0.629 0.905 0.595 CB 1.179 42 residues pruned to eliminate duplicates Z: 14 14.340 1.743 0.534 0.882 0.923 0.538 CB 1.166 14 residues pruned to eliminate duplicates Z: 42 15.138 1.728 0.404 0.613 0.854 0.512 CB 1.026 42 residues pruned to eliminate duplicates Z: 40 19.166 1.739 0.607 0.572 0.846 0.564 CB 1.211 40 residues pruned to eliminate duplicates Z: 25 15.335 1.846 0.511 0.542 0.833 0.542 CB 1.292 25 residues pruned to eliminate duplicates Z: 43 19.370 1.729 0.546 0.640 0.881 0.667 CB 1.113 42 residues pruned to eliminate duplicates Z: 14 20.117 1.801 0.945 0.889 0.923 0.462 CB 1.243 14 residues pruned to eliminate duplicates Z: 23 18.609 1.903 0.709 0.559 0.818 0.591 CB 1.408 23 residues pruned to eliminate duplicates Z: 41 15.614 1.733 0.534 0.619 0.800 0.500 CB 1.038 41 residues pruned to eliminate duplicates Z: 44 20.807 1.737 0.514 0.622 0.930 0.605 CB 1.156 43 residues pruned to eliminate duplicates Z: 21 40.877 2.167 0.905 0.939 1.000 0.850 CA 1.539 21 residues pruned to eliminate duplicates Z: 24 33.938 2.051 0.811 0.871 0.957 0.783 CA 1.453 24 residues pruned to eliminate duplicates Z: 23 33.636 2.092 0.864 0.839 0.909 0.682 CA 1.510 23 residues pruned to eliminate duplicates Z: 23 34.932 2.110 0.854 0.855 0.955 0.636 CB 1.473 23 residues pruned to eliminate duplicates Z: 23 39.526 2.082 1.117 0.874 0.909 0.545 CA 1.531 23 residues pruned to eliminate duplicates Z: 21 39.009 2.174 1.041 0.868 0.900 0.600 CB 1.597 21 residues pruned to eliminate duplicates Z: 21 37.349 2.140 0.830 0.922 1.000 0.550 CB 1.499 21 residues pruned to eliminate duplicates Z: 21 45.966 2.198 1.183 0.881 0.950 0.450 CB 1.632 21 residues pruned to eliminate duplicates Z: 23 38.864 2.139 0.941 0.887 0.955 0.409 CB 1.507 23 residues pruned to eliminate duplicates Z: 22 48.733 2.185 1.210 0.882 1.000 0.476 CA 1.593 22 residues pruned to eliminate duplicates Z: 24 43.270 2.092 1.188 0.879 1.000 0.348 CB 1.429 24 residues pruned to eliminate duplicates Z: 22 34.667 2.098 1.038 0.871 0.905 0.381 CB 1.426 22 residues pruned to eliminate duplicates Z: 23 35.002 2.062 1.062 0.879 0.864 0.364 CB 1.474 23 residues pruned to eliminate duplicates Z: 21 41.590 2.165 1.104 0.915 0.950 0.450 CB 1.519 21 residues pruned to eliminate duplicates Z: 24 38.733 2.081 1.099 0.855 0.957 0.565 CB 1.427 24 residues pruned to eliminate duplicates Z: 22 43.208 2.150 1.250 0.866 0.905 0.333 CB 1.577 22 residues pruned to eliminate duplicates Z: 23 41.963 2.097 1.254 0.839 0.955 0.409 CB 1.481 24 residues pruned to eliminate duplicates Z: 21 41.517 2.154 1.141 0.871 0.950 0.350 CB 1.546 21 residues pruned to eliminate duplicates Z: 13 22.751 2.071 0.658 0.890 0.917 0.667 CB 1.501 13 residues pruned to eliminate duplicates Z: 18 15.792 1.900 0.529 0.634 0.824 0.647 CB 1.412 15 residues pruned to eliminate duplicates Z: 13 22.363 1.964 0.586 0.879 1.000 0.750 CA 1.503 13 residues pruned to eliminate duplicates Z: 17 16.864 1.840 0.567 0.629 1.000 0.625 CB 1.295 17 residues pruned to eliminate duplicates Z: 18 22.615 1.883 0.663 0.662 1.000 0.647 CB 1.507 17 residues pruned to eliminate duplicates Z: 13 23.049 2.036 0.717 0.892 0.917 0.667 CB 1.491 13 residues pruned to eliminate duplicates Z: 18 22.571 1.882 0.667 0.634 1.000 0.529 CB 1.539 18 residues pruned to eliminate duplicates Z: 13 22.419 2.069 0.600 0.857 0.917 0.833 CB 1.572 13 residues pruned to eliminate duplicates Z: 15 20.791 1.916 0.748 0.752 0.929 0.786 CB 1.426 15 residues pruned to eliminate duplicates Z: 20 16.888 1.839 0.496 0.552 0.947 0.474 CB 1.414 20 residues pruned to eliminate duplicates Z: 18 20.699 1.839 0.762 0.644 0.941 0.647 CB 1.439 18 residues pruned to eliminate duplicates Z: 13 23.838 1.938 0.740 0.892 1.000 0.833 CB 1.466 13 residues pruned to eliminate duplicates Z: 7 4.956 1.667 0.636 0.496 0.667 0.667 CA 1.117 7 residues pruned to eliminate duplicates Z: 6 5.561 1.622 0.727 0.434 0.800 0.600 CB 1.188 6 residues pruned to eliminate duplicates Z: 6 6.203 1.605 0.419 0.580 1.000 0.600 CB 1.128 5 residues pruned to eliminate duplicates Z: 30 38.725 2.143 0.713 0.817 1.000 0.724 CB 1.487 27 residues pruned to eliminate duplicates Z: 26 36.882 2.233 0.587 0.879 1.000 0.880 CB 1.509 26 residues pruned to eliminate duplicates Z: 36 30.953 2.116 0.606 0.719 0.914 0.629 CB 1.381 36 residues pruned to eliminate duplicates Z: 26 33.351 2.203 0.428 0.909 1.000 0.880 CB 1.505 26 residues pruned to eliminate duplicates Z: 105 67.608 2.192 0.778 0.700 0.933 0.712 CB 1.519 107 residues pruned to eliminate duplicates Z: 25 31.989 2.249 0.436 0.910 0.958 0.875 CB 1.497 25 residues pruned to eliminate duplicates Z: 29 37.490 2.174 0.825 0.821 0.929 0.786 CB 1.456 29 residues pruned to eliminate duplicates Z: 36 33.344 2.165 0.652 0.694 0.914 0.743 CB 1.444 36 residues pruned to eliminate duplicates Z: 35 35.722 2.153 0.614 0.746 0.971 0.765 CB 1.458 36 residues pruned to eliminate duplicates Z: 26 35.098 2.209 0.642 0.863 0.960 0.760 CB 1.480 26 residues pruned to eliminate duplicates Z: 35 38.489 2.173 0.650 0.716 1.000 0.765 CB 1.514 34 residues pruned to eliminate duplicates Z: 26 40.958 2.247 0.888 0.898 0.920 0.640 CB 1.501 26 residues pruned to eliminate duplicates Z: 37 30.598 2.097 0.633 0.674 0.917 0.694 CB 1.385 37 residues pruned to eliminate duplicates Z: 36 36.678 2.155 0.814 0.713 0.914 0.629 CB 1.430 36 residues pruned to eliminate duplicates Z: 26 36.765 2.229 0.818 0.908 0.880 0.520 CB 1.465 26 residues pruned to eliminate duplicates Z: 28 44.787 2.175 0.978 0.869 0.963 0.630 CB 1.519 30 residues pruned to eliminate duplicates Z: 26 41.875 2.199 1.031 0.894 0.920 0.600 CB 1.462 26 residues pruned to eliminate duplicates Z: 34 39.368 2.166 0.887 0.751 0.939 0.606 CB 1.427 34 residues pruned to eliminate duplicates Z: 35 40.217 2.142 1.002 0.739 0.941 0.382 CB 1.379 35 residues pruned to eliminate duplicates Z: 36 37.121 2.136 0.947 0.714 0.886 0.429 CB 1.403 36 residues pruned to eliminate duplicates Z: 37 37.110 2.097 0.927 0.694 0.917 0.583 CB 1.398 37 residues pruned to eliminate duplicates Z: 35 35.048 2.095 0.922 0.713 0.912 0.471 CB 1.350 35 residues pruned to eliminate duplicates Z: 35 42.723 2.138 0.997 0.769 0.941 0.647 CB 1.437 35 residues pruned to eliminate duplicates Z: 27 35.067 2.249 1.041 0.722 0.846 0.500 CB 1.449 27 residues pruned to eliminate duplicates Z: 40 34.125 2.095 0.984 0.639 0.923 0.410 CB 1.250 40 residues pruned to eliminate duplicates Z: 34 42.300 2.167 1.025 0.747 0.970 0.545 CB 1.388 34 residues pruned to eliminate duplicates Z: 35 42.257 2.157 0.905 0.730 1.000 0.500 CB 1.434 35 residues pruned to eliminate duplicates Z: 36 35.865 2.111 0.805 0.709 0.914 0.600 CB 1.440 36 residues pruned to eliminate duplicates Z: 64 56.219 2.246 0.996 0.652 0.921 0.429 CB 1.490 63 residues pruned to eliminate duplicates Z: 6 6.122 1.709 0.333 0.334 1.000 0.400 CA 1.440 6 residues pruned to eliminate duplicates Z: 33 40.553 2.169 1.022 0.754 0.938 0.500 CB 1.390 33 residues pruned to eliminate duplicates Z: 34 39.940 2.180 0.909 0.735 0.939 0.424 CB 1.440 33 residues pruned to eliminate duplicates Z: 6 6.863 1.978 0.527 0.320 1.000 0.200 CA 1.239 6 residues pruned to eliminate duplicates Z: 68 63.108 2.208 0.909 0.708 0.970 0.672 CA 1.561 68 residues pruned to eliminate duplicates Z: 71 61.023 2.192 0.903 0.665 0.957 0.686 CB 1.568 71 residues pruned to eliminate duplicates Z: 71 65.606 2.231 0.934 0.681 0.943 0.686 CA 1.632 71 residues pruned to eliminate duplicates Z: 67 64.277 2.235 0.903 0.715 0.955 0.742 CB 1.604 67 residues pruned to eliminate duplicates Z: 104 69.977 2.157 0.945 0.684 0.913 0.631 CB 1.521 106 residues pruned to eliminate duplicates Z: 20 39.663 2.220 1.138 0.856 0.947 0.632 CA 1.492 20 residues pruned to eliminate duplicates Z: 66 72.679 2.251 1.001 0.733 1.000 0.738 CA 1.624 66 residues pruned to eliminate duplicates Z: 79 59.495 2.164 0.993 0.611 0.910 0.615 CA 1.544 79 residues pruned to eliminate duplicates Z: 69 69.055 2.212 0.997 0.717 0.985 0.779 CB 1.581 69 residues pruned to eliminate duplicates Z: 66 68.368 2.242 0.980 0.724 0.985 0.692 CA 1.585 66 residues pruned to eliminate duplicates Z: 66 67.890 2.240 0.964 0.716 1.000 0.754 CA 1.574 66 residues pruned to eliminate duplicates Z: 71 63.761 2.202 0.904 0.668 0.971 0.786 CA 1.601 71 residues pruned to eliminate duplicates Z: 70 57.262 2.182 0.843 0.675 0.971 0.754 CA 1.502 70 residues pruned to eliminate duplicates Z: 72 58.868 2.178 0.909 0.645 0.944 0.732 CA 1.556 72 residues pruned to eliminate duplicates Z: 69 69.967 2.253 1.010 0.691 0.971 0.794 CB 1.621 69 residues pruned to eliminate duplicates Z: 66 60.705 2.222 0.872 0.711 0.954 0.785 CA 1.568 66 residues pruned to eliminate duplicates Z: 66 64.120 2.234 0.862 0.707 1.000 0.754 CA 1.584 66 residues pruned to eliminate duplicates Z: 69 54.989 2.173 0.883 0.627 0.956 0.721 CA 1.512 69 residues pruned to eliminate duplicates Z: 72 65.656 2.207 0.976 0.677 0.972 0.704 CA 1.563 72 residues pruned to eliminate duplicates Z: 67 58.709 2.210 0.850 0.701 0.939 0.712 CA 1.566 67 residues pruned to eliminate duplicates Z: 69 58.540 2.199 0.845 0.674 0.971 0.735 CA 1.536 69 residues pruned to eliminate duplicates Z: 98 73.082 2.189 0.970 0.705 0.928 0.680 CB 1.538 98 residues pruned to eliminate duplicates Z: 70 64.722 2.251 0.892 0.683 0.971 0.783 CA 1.593 70 residues pruned to eliminate duplicates Z: 67 63.785 2.221 0.924 0.701 0.970 0.788 CA 1.577 67 residues pruned to eliminate duplicates Z: 67 59.571 2.193 0.828 0.701 0.970 0.788 CA 1.571 67 residues pruned to eliminate duplicates Z: 66 65.139 2.236 0.881 0.728 1.000 0.785 CA 1.564 66 residues pruned to eliminate duplicates Z: 65 66.034 2.256 1.009 0.714 0.953 0.828 CA 1.573 65 residues pruned to eliminate duplicates Z: 66 67.207 2.248 0.908 0.727 1.000 0.785 CA 1.584 66 residues pruned to eliminate duplicates Z: 68 64.939 2.230 0.907 0.717 0.985 0.746 CA 1.557 68 residues pruned to eliminate duplicates Z: 72 62.706 2.190 0.870 0.703 0.986 0.718 CA 1.532 72 residues pruned to eliminate duplicates Z: 40 50.131 2.298 0.956 0.635 0.974 0.667 CB 1.615 40 residues pruned to eliminate duplicates Z: 72 61.564 2.185 0.908 0.681 0.958 0.690 CA 1.549 72 residues pruned to eliminate duplicates Z: 71 64.786 2.227 0.896 0.686 0.971 0.729 CA 1.591 71 residues pruned to eliminate duplicates Z: 66 69.068 2.247 0.960 0.724 1.000 0.754 CA 1.589 66 residues pruned to eliminate duplicates Z: 72 63.202 2.204 0.888 0.680 0.972 0.718 CA 1.571 72 residues pruned to eliminate duplicates Z: 66 61.906 2.213 0.880 0.714 0.985 0.754 CB 1.543 66 residues pruned to eliminate duplicates Z: 70 58.964 2.190 0.870 0.681 0.971 0.710 CA 1.511 70 residues pruned to eliminate duplicates Z: 67 65.427 2.234 0.943 0.696 0.985 0.742 CB 1.576 67 residues pruned to eliminate duplicates Z: 72 55.549 2.187 0.798 0.665 0.930 0.718 CB 1.548 72 residues pruned to eliminate duplicates Z: 62 67.054 2.239 0.984 0.734 0.967 0.705 CB 1.620 62 residues pruned to eliminate duplicates Z: 74 61.953 2.180 0.952 0.651 0.945 0.699 CA 1.566 74 residues pruned to eliminate duplicates Z: 70 63.082 2.229 0.893 0.685 0.957 0.725 CB 1.588 70 residues pruned to eliminate duplicates Z: 100 76.033 2.211 0.972 0.718 0.960 0.657 CB 1.500 99 residues pruned to eliminate duplicates Z: 14 38.375 2.244 1.295 0.925 1.000 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 67 69.173 2.252 0.985 0.722 0.970 0.788 CB 1.608 67 residues pruned to eliminate duplicates Z: 72 66.849 2.206 0.987 0.658 0.986 0.704 CB 1.585 72 residues pruned to eliminate duplicates Z: 68 67.711 2.235 0.967 0.713 0.970 0.716 CB 1.599 68 residues pruned to eliminate duplicates Z: 71 59.548 2.217 0.845 0.673 0.943 0.771 CA 1.574 71 residues pruned to eliminate duplicates Z: 66 71.341 2.248 1.027 0.729 0.985 0.769 CA 1.604 66 residues pruned to eliminate duplicates Z: 66 71.302 2.246 1.040 0.730 0.985 0.769 CA 1.594 66 residues pruned to eliminate duplicates Z: 68 66.609 2.192 1.026 0.702 0.970 0.731 CB 1.571 68 residues pruned to eliminate duplicates Z: 72 64.709 2.196 0.998 0.670 0.958 0.648 CA 1.562 72 residues pruned to eliminate duplicates Z: 66 65.570 2.215 0.993 0.711 0.985 0.615 CB 1.545 66 residues pruned to eliminate duplicates Z: 67 64.263 2.209 0.957 0.695 0.985 0.697 CB 1.555 67 residues pruned to eliminate duplicates Z: 70 63.996 2.196 1.004 0.686 0.928 0.667 CB 1.591 70 residues pruned to eliminate duplicates Z: 70 64.516 2.203 0.976 0.697 0.957 0.652 CA 1.558 70 residues pruned to eliminate duplicates Z: 69 69.627 2.214 1.083 0.703 0.971 0.676 CB 1.568 69 residues pruned to eliminate duplicates Z: 74 67.400 2.182 1.080 0.656 0.959 0.644 CB 1.568 74 residues pruned to eliminate duplicates Z: 66 71.561 2.237 1.047 0.727 0.985 0.631 CB 1.605 66 residues pruned to eliminate duplicates Z: 69 67.919 2.226 0.971 0.699 0.985 0.691 CB 1.589 69 residues pruned to eliminate duplicates Z: 66 46.722 1.981 0.842 0.698 0.954 0.677 CB 1.390 66 residues pruned to eliminate duplicates Z: 71 44.942 1.988 0.761 0.672 0.957 0.700 CB 1.367 71 residues pruned to eliminate duplicates Z: 64 49.659 2.032 0.842 0.718 1.000 0.746 CB 1.373 64 residues pruned to eliminate duplicates Z: 15 11.149 1.671 0.601 0.918 0.929 0.714 CB 0.846 15 residues pruned to eliminate duplicates Z: 67 47.796 1.994 0.834 0.728 0.970 0.742 CB 1.351 67 residues pruned to eliminate duplicates Z: 65 52.086 2.038 0.881 0.731 1.000 0.672 CB 1.380 65 residues pruned to eliminate duplicates Z: 84 46.670 1.939 0.822 0.652 0.952 0.663 CB 1.322 79 residues pruned to eliminate duplicates Z: 11 14.705 1.965 0.198 0.872 1.000 0.600 CB 1.439 11 residues pruned to eliminate duplicates Z: 10 18.067 2.013 0.293 0.919 1.000 0.889 CB 1.630 10 residues pruned to eliminate duplicates Z: 14 11.911 1.771 0.591 0.672 0.923 0.462 CB 1.084 14 residues pruned to eliminate duplicates Z: 51 47.877 2.084 0.799 0.766 0.960 0.800 CB 1.486 51 residues pruned to eliminate duplicates Z: 12 14.269 1.888 0.604 0.744 0.818 0.455 CA 1.396 12 residues pruned to eliminate duplicates Z: 13 10.851 1.735 0.489 0.667 0.833 0.417 CB 1.247 13 residues pruned to eliminate duplicates Z: 11 13.411 1.862 0.306 0.793 1.000 0.700 CA 1.348 11 residues pruned to eliminate duplicates Z: 11 12.119 1.853 0.402 0.793 0.900 0.400 CB 1.267 11 residues pruned to eliminate duplicates Z: 13 15.774 1.857 0.477 0.737 0.917 0.583 CB 1.463 13 residues pruned to eliminate duplicates Z: 36 14.005 1.734 0.390 0.495 0.857 0.457 CB 1.151 36 residues pruned to eliminate duplicates Z: 40 13.568 1.715 0.375 0.505 0.872 0.487 CB 1.051 40 residues pruned to eliminate duplicates Z: 17 6.923 1.492 0.396 0.520 1.000 0.500 CB 0.815 17 residues pruned to eliminate duplicates Z: 22 9.250 1.549 0.313 0.635 0.952 0.714 CB 0.918 22 residues pruned to eliminate duplicates Z: 27 10.660 1.523 0.429 0.520 0.962 0.692 CB 0.980 27 residues pruned to eliminate duplicates Z: 13 6.572 1.502 0.079 0.771 0.917 0.833 CB 1.005 13 residues pruned to eliminate duplicates Z: 18 5.742 1.518 0.375 0.389 0.882 0.353 CB 0.851 18 residues pruned to eliminate duplicates Z: 14 8.595 1.533 0.387 0.714 1.000 0.615 CB 0.923 14 residues pruned to eliminate duplicates Z: 38 13.781 1.674 0.441 0.522 0.811 0.568 CB 1.134 38 residues pruned to eliminate duplicates Z: 18 10.215 1.639 0.399 0.698 0.941 0.706 CB 0.958 18 residues pruned to eliminate duplicates Z: 20 9.607 1.587 0.419 0.632 0.895 0.474 CB 0.967 20 residues pruned to eliminate duplicates Z: 25 11.543 1.623 0.587 0.632 0.875 0.625 CB 0.923 25 residues pruned to eliminate duplicates Z: 18 11.650 1.625 0.502 0.738 0.941 0.529 CB 0.994 18 residues pruned to eliminate duplicates Z: 18 11.498 1.601 0.378 0.730 1.000 0.588 CB 1.028 18 residues pruned to eliminate duplicates Z: 18 11.072 1.592 0.366 0.727 1.000 0.765 CB 1.006 18 residues pruned to eliminate duplicates Z: 13 7.531 1.601 0.326 0.647 0.917 0.583 CB 0.975 13 residues pruned to eliminate duplicates Z: 10 9.093 1.675 0.100 0.909 1.000 0.889 CB 1.167 10 residues pruned to eliminate duplicates Z: 10 8.073 1.654 0.120 0.922 0.889 0.778 CB 1.150 10 residues pruned to eliminate duplicates Z: 11 6.533 1.612 0.188 0.765 0.800 0.500 CB 1.066 11 residues pruned to eliminate duplicates Z: 11 8.546 1.628 0.229 0.801 1.000 0.900 CB 1.038 11 residues pruned to eliminate duplicates Z: 12 8.930 1.556 0.351 0.732 0.909 0.727 CB 1.144 12 residues pruned to eliminate duplicates Z: 35 28.474 2.075 0.636 0.559 0.971 0.706 CA 1.399 35 residues pruned to eliminate duplicates Z: 58 60.141 2.268 0.854 0.683 0.965 0.719 CB 1.660 58 residues pruned to eliminate duplicates Z: 6 3.811 1.717 0.644 0.298 0.800 0.600 CA 0.946 6 residues pruned to eliminate duplicates Z: 15 21.996 2.153 0.720 0.556 0.929 0.786 CB 1.619 15 residues pruned to eliminate duplicates Z: 14 21.846 2.160 0.521 0.602 1.000 0.846 CB 1.674 14 residues pruned to eliminate duplicates Z: 58 52.371 2.245 0.729 0.683 0.930 0.789 CB 1.624 58 residues pruned to eliminate duplicates Z: 56 55.775 2.230 0.893 0.656 0.945 0.673 CA 1.629 56 residues pruned to eliminate duplicates Z: 6 5.758 1.854 0.527 0.383 0.800 0.600 CA 1.287 6 residues pruned to eliminate duplicates Z: 15 20.695 2.151 0.521 0.574 0.929 0.714 CB 1.695 15 residues pruned to eliminate duplicates Z: 7 9.571 2.099 0.155 0.600 0.833 0.667 CB 1.757 7 residues pruned to eliminate duplicates Z: 12 8.414 1.800 0.690 0.319 0.818 0.545 CB 1.244 12 residues pruned to eliminate duplicates Z: 17 17.685 2.039 0.555 0.499 0.875 0.562 CB 1.596 17 residues pruned to eliminate duplicates Z: 59 60.926 2.250 0.920 0.697 0.948 0.724 CB 1.631 57 residues pruned to eliminate duplicates Z: 16 25.156 2.143 0.854 0.794 0.867 0.667 CA 1.457 16 residues pruned to eliminate duplicates Z: 26 32.075 2.180 0.820 0.612 1.000 0.600 CB 1.454 26 residues pruned to eliminate duplicates Z: 61 48.946 2.158 0.766 0.641 0.933 0.683 CB 1.557 61 residues pruned to eliminate duplicates Z: 38 40.645 2.250 0.719 0.665 1.000 0.757 CB 1.483 38 residues pruned to eliminate duplicates Z: 36 31.945 2.116 0.786 0.537 0.914 0.686 CB 1.507 36 residues pruned to eliminate duplicates Z: 50 48.598 2.266 0.697 0.686 0.939 0.694 CB 1.622 50 residues pruned to eliminate duplicates Z: 19 26.619 2.204 0.818 0.625 0.833 0.556 CB 1.670 19 residues pruned to eliminate duplicates Z: 17 35.229 2.296 1.026 0.661 0.938 0.625 CB 1.739 17 residues pruned to eliminate duplicates Z: 46 53.784 2.269 0.867 0.714 0.956 0.756 CB 1.632 46 residues pruned to eliminate duplicates Z: 45 56.008 2.265 0.912 0.749 0.977 0.773 CB 1.598 45 residues pruned to eliminate duplicates Z: 21 26.933 2.189 0.770 0.586 0.900 0.700 CB 1.589 21 residues pruned to eliminate duplicates Z: 45 55.783 2.240 0.907 0.729 0.977 0.682 CA 1.639 45 residues pruned to eliminate duplicates Z: 47 48.665 2.215 0.849 0.643 0.935 0.630 CB 1.641 48 residues pruned to eliminate duplicates Z: 19 29.755 2.086 1.002 0.705 0.889 0.389 CA 1.568 19 residues pruned to eliminate duplicates Z: 44 53.875 2.262 1.066 0.641 0.907 0.558 CB 1.699 44 residues pruned to eliminate duplicates Z: 45 51.270 2.273 0.813 0.732 0.932 0.750 CA 1.635 45 residues pruned to eliminate duplicates Z: 45 55.080 2.311 0.825 0.748 0.955 0.773 CB 1.652 45 residues pruned to eliminate duplicates Z: 58 53.323 2.192 0.875 0.684 0.982 0.632 CB 1.478 58 residues pruned to eliminate duplicates Z: 46 53.222 2.253 0.902 0.701 0.956 0.667 CA 1.613 46 residues pruned to eliminate duplicates Z: 52 49.678 2.172 0.826 0.646 0.961 0.667 CB 1.593 52 residues pruned to eliminate duplicates Z: 45 60.377 2.287 0.983 0.721 0.977 0.705 CB 1.682 45 residues pruned to eliminate duplicates Z: 25 34.945 2.305 0.464 0.919 0.958 0.875 CA 1.554 25 residues pruned to eliminate duplicates Z: 58 53.363 2.239 0.729 0.666 0.982 0.667 CB 1.594 58 residues pruned to eliminate duplicates Z: 33 43.971 2.294 0.885 0.703 0.938 0.719 CB 1.593 33 residues pruned to eliminate duplicates Z: 45 50.898 2.273 0.738 0.744 0.955 0.727 CA 1.636 45 residues pruned to eliminate duplicates Z: 31 42.091 2.258 0.777 0.756 0.933 0.800 CB 1.634 31 residues pruned to eliminate duplicates Z: 58 54.966 2.255 0.803 0.680 0.912 0.754 CB 1.663 58 residues pruned to eliminate duplicates Z: 47 59.627 2.263 1.091 0.700 0.935 0.652 CB 1.656 46 residues pruned to eliminate duplicates Z: 16 46.544 2.392 1.146 0.954 1.000 0.733 CB 1.609 16 residues pruned to eliminate duplicates Z: 46 63.479 2.275 1.091 0.732 0.978 0.644 CB 1.651 47 residues pruned to eliminate duplicates Z: 24 54.668 2.364 1.127 0.931 1.000 0.826 CB 1.585 24 residues pruned to eliminate duplicates Z: 47 59.489 2.253 1.142 0.715 0.935 0.522 CB 1.600 47 residues pruned to eliminate duplicates Z: 27 57.118 2.355 1.224 0.837 0.962 0.769 CB 1.664 27 residues pruned to eliminate duplicates Z: 45 59.254 2.304 1.075 0.731 0.932 0.682 CB 1.630 45 residues pruned to eliminate duplicates Z: 46 62.444 2.269 1.131 0.718 0.956 0.511 CB 1.654 46 residues pruned to eliminate duplicates Z: 58 63.042 2.261 1.091 0.667 0.912 0.596 CB 1.659 58 residues pruned to eliminate duplicates Z: 49 58.218 2.282 0.994 0.696 0.958 0.521 CB 1.611 49 residues pruned to eliminate duplicates Z: 28 55.814 2.263 1.425 0.821 0.926 0.444 CB 1.600 27 residues pruned to eliminate duplicates Z: 25 58.095 2.329 1.227 0.931 1.000 0.667 CB 1.598 25 residues pruned to eliminate duplicates Z: 28 50.211 2.275 1.385 0.829 0.852 0.519 CB 1.573 29 residues pruned to eliminate duplicates Z: 24 63.667 2.382 1.342 0.926 1.000 0.478 CB 1.670 24 residues pruned to eliminate duplicates Z: 21 36.344 2.306 1.248 0.707 0.800 0.550 CA 1.624 21 residues pruned to eliminate duplicates Z: 46 60.279 2.257 1.195 0.726 0.911 0.533 CB 1.624 46 residues pruned to eliminate duplicates Z: 35 22.969 1.957 0.647 0.537 0.912 0.676 CB 1.293 34 residues pruned to eliminate duplicates Z: 6 5.501 1.799 0.017 0.486 1.000 0.600 CA 1.365 7 residues pruned to eliminate duplicates Z: 6 6.280 1.824 0.211 0.469 1.000 0.600 CA 1.313 6 residues pruned to eliminate duplicates Z: 7 4.094 1.574 0.332 0.398 0.833 0.500 CA 1.065 7 residues pruned to eliminate duplicates Z: 37 18.510 1.912 0.506 0.506 0.944 0.556 CB 1.127 37 residues pruned to eliminate duplicates Z: 7 4.214 1.671 0.133 0.461 0.833 0.500 CB 1.135 7 residues pruned to eliminate duplicates Z: 29 26.570 1.982 0.549 0.831 0.929 0.679 CB 1.323 29 residues pruned to eliminate duplicates Z: 36 21.882 1.933 0.321 0.740 0.943 0.714 CB 1.239 35 residues pruned to eliminate duplicates Z: 25 25.212 2.022 0.334 0.919 1.000 0.875 CB 1.344 25 residues pruned to eliminate duplicates Z: 63 36.163 2.048 0.579 0.621 0.919 0.710 CB 1.378 63 residues pruned to eliminate duplicates Z: 35 28.539 2.012 0.511 0.767 0.971 0.735 CB 1.309 35 residues pruned to eliminate duplicates Z: 25 26.691 2.041 0.443 0.911 1.000 0.750 CB 1.311 25 residues pruned to eliminate duplicates Z: 31 28.416 1.953 0.552 0.835 0.967 0.767 CB 1.326 31 residues pruned to eliminate duplicates Z: 36 23.629 1.963 0.390 0.691 0.943 0.600 CB 1.303 36 residues pruned to eliminate duplicates Z: 31 27.665 2.077 0.435 0.764 0.967 0.833 CB 1.387 31 residues pruned to eliminate duplicates Z: 64 43.754 2.072 0.661 0.684 0.968 0.683 CB 1.397 64 residues pruned to eliminate duplicates Z: 31 23.155 1.989 0.453 0.796 0.900 0.767 CB 1.253 31 residues pruned to eliminate duplicates Z: 33 24.991 2.030 0.466 0.719 0.906 0.781 CB 1.344 33 residues pruned to eliminate duplicates Z: 25 30.246 2.097 0.512 0.904 1.000 0.792 CB 1.387 25 residues pruned to eliminate duplicates Z: 33 26.495 2.065 0.449 0.741 0.969 0.812 CB 1.303 33 residues pruned to eliminate duplicates Z: 36 26.755 2.024 0.596 0.705 0.914 0.714 CB 1.271 36 residues pruned to eliminate duplicates Z: 32 31.894 2.068 0.708 0.751 1.000 0.710 CB 1.296 32 residues pruned to eliminate duplicates Z: 36 28.288 2.041 0.603 0.752 0.943 0.743 CB 1.238 36 residues pruned to eliminate duplicates Z: 35 30.011 2.022 0.582 0.728 0.971 0.647 CB 1.350 35 residues pruned to eliminate duplicates Z: 32 29.544 2.090 0.731 0.765 0.935 0.677 CB 1.240 32 residues pruned to eliminate duplicates Z: 36 28.993 2.021 0.681 0.742 0.914 0.600 CB 1.271 36 residues pruned to eliminate duplicates Z: 65 38.759 1.998 0.788 0.615 0.922 0.562 CB 1.320 65 residues pruned to eliminate duplicates Z: 66 40.409 2.000 0.853 0.651 0.892 0.631 CB 1.317 66 residues pruned to eliminate duplicates Z: 38 28.387 1.953 0.642 0.740 0.946 0.703 CB 1.240 38 residues pruned to eliminate duplicates Z: 35 25.765 1.963 0.586 0.730 0.912 0.676 CB 1.265 35 residues pruned to eliminate duplicates Z: 38 28.583 1.955 0.763 0.727 0.946 0.568 CB 1.175 38 residues pruned to eliminate duplicates Z: 33 30.508 2.029 0.703 0.713 0.969 0.562 CB 1.328 33 residues pruned to eliminate duplicates Z: 31 29.692 2.038 0.815 0.722 0.900 0.533 CB 1.333 31 residues pruned to eliminate duplicates Z: 99 54.608 2.006 0.804 0.708 0.959 0.786 CB 1.315 99 residues pruned to eliminate duplicates Z: 38 28.488 1.972 0.720 0.700 0.919 0.514 CB 1.253 38 residues pruned to eliminate duplicates Z: 37 29.437 1.981 0.778 0.741 0.917 0.611 CB 1.225 37 residues pruned to eliminate duplicates Z: 8 3.691 1.921 0.129 0.284 0.714 0.714 CA 1.148 8 residues pruned to eliminate duplicates Z: 71 47.814 2.012 0.861 0.678 0.971 0.771 CB 1.334 71 residues pruned to eliminate duplicates Z: 73 45.381 1.979 0.791 0.669 0.958 0.681 CB 1.346 73 residues pruned to eliminate duplicates Z: 67 44.451 1.967 0.824 0.713 0.939 0.667 CB 1.339 67 residues pruned to eliminate duplicates Z: 28 31.082 2.079 0.997 0.563 0.889 0.519 CB 1.525 28 residues pruned to eliminate duplicates Z: 63 47.474 2.036 0.767 0.745 1.000 0.806 CB 1.346 63 residues pruned to eliminate duplicates Z: 63 43.840 1.989 0.886 0.686 0.952 0.629 CB 1.316 63 residues pruned to eliminate duplicates Z: 28 27.514 2.053 0.974 0.559 0.889 0.519 CB 1.388 28 residues pruned to eliminate duplicates Z: 65 43.222 2.000 0.693 0.707 0.969 0.766 CB 1.364 65 residues pruned to eliminate duplicates Z: 34 37.452 2.019 1.012 0.600 1.000 0.606 CB 1.459 34 residues pruned to eliminate duplicates Z: 72 44.190 1.949 0.875 0.673 0.944 0.732 CB 1.296 72 residues pruned to eliminate duplicates Z: 67 45.012 1.963 0.824 0.710 0.970 0.712 CB 1.319 67 residues pruned to eliminate duplicates Z: 27 33.323 2.095 1.000 0.601 0.923 0.462 CB 1.535 27 residues pruned to eliminate duplicates Z: 60 44.201 2.075 0.939 0.658 0.898 0.475 CB 1.375 60 residues pruned to eliminate duplicates Z: 63 48.777 1.978 0.819 0.753 1.000 0.839 CB 1.373 63 residues pruned to eliminate duplicates Z: 64 46.173 1.988 0.828 0.737 0.968 0.762 CB 1.336 64 residues pruned to eliminate duplicates Z: 59 36.408 1.967 0.784 0.628 0.931 0.638 CB 1.298 59 residues pruned to eliminate duplicates Z: 71 41.532 1.962 0.734 0.668 0.943 0.771 CB 1.325 71 residues pruned to eliminate duplicates Z: 73 42.881 1.944 0.727 0.659 0.986 0.667 CB 1.317 73 residues pruned to eliminate duplicates Z: 27 29.087 2.087 0.884 0.593 0.846 0.538 CB 1.568 27 residues pruned to eliminate duplicates Z: 32 28.086 2.059 0.929 0.499 0.871 0.516 CB 1.459 32 residues pruned to eliminate duplicates Z: 108 47.744 1.963 0.755 0.671 0.907 0.645 CB 1.262 108 residues pruned to eliminate duplicates Z: 57 41.365 1.960 0.773 0.768 0.964 0.857 CB 1.301 57 residues pruned to eliminate duplicates Z: 66 43.666 2.001 0.680 0.716 0.969 0.815 CB 1.367 66 residues pruned to eliminate duplicates Z: 66 44.091 2.011 0.759 0.719 0.923 0.815 CB 1.373 66 residues pruned to eliminate duplicates Z: 71 43.820 1.941 0.728 0.683 0.986 0.714 CB 1.339 71 residues pruned to eliminate duplicates Z: 67 40.800 1.957 0.637 0.710 0.970 0.742 CB 1.337 67 residues pruned to eliminate duplicates Z: 63 46.104 2.018 0.745 0.725 0.968 0.726 CB 1.403 63 residues pruned to eliminate duplicates Z: 66 45.218 2.008 0.698 0.700 0.985 0.723 CB 1.392 66 residues pruned to eliminate duplicates Z: 63 40.261 1.952 0.647 0.697 0.984 0.806 CB 1.351 63 residues pruned to eliminate duplicates Z: 68 43.069 1.966 0.769 0.697 0.940 0.701 CB 1.343 68 residues pruned to eliminate duplicates Z: 39 33.547 2.025 0.692 0.673 0.974 0.684 CA 1.390 39 residues pruned to eliminate duplicates Z: 53 45.943 2.013 0.707 0.814 0.981 0.846 CB 1.438 53 residues pruned to eliminate duplicates Z: 66 45.632 1.999 0.739 0.712 0.985 0.800 CB 1.364 66 residues pruned to eliminate duplicates Z: 66 47.219 1.999 0.821 0.734 0.969 0.738 CB 1.345 66 residues pruned to eliminate duplicates Z: 65 42.496 1.956 0.739 0.712 0.953 0.781 CB 1.352 65 residues pruned to eliminate duplicates Z: 67 39.931 1.972 0.588 0.720 0.970 0.742 CB 1.327 67 residues pruned to eliminate duplicates Z: 64 46.272 2.023 0.727 0.734 0.968 0.762 CB 1.396 64 residues pruned to eliminate duplicates Z: 47 37.902 2.077 0.862 0.569 0.935 0.717 CA 1.446 47 residues pruned to eliminate duplicates Z: 31 26.373 1.827 0.897 0.769 0.933 0.733 CB 1.172 31 residues pruned to eliminate duplicates Z: 66 45.919 1.995 0.692 0.718 1.000 0.738 CB 1.385 66 residues pruned to eliminate duplicates Z: 31 27.436 1.886 0.851 0.750 0.967 0.700 CB 1.187 31 residues pruned to eliminate duplicates Z: 31 28.876 1.846 0.832 0.742 1.000 0.733 CB 1.255 31 residues pruned to eliminate duplicates Z: 66 45.468 1.983 0.735 0.728 0.985 0.800 CB 1.356 66 residues pruned to eliminate duplicates Z: 66 41.951 1.996 0.723 0.699 0.954 0.754 CB 1.323 66 residues pruned to eliminate duplicates Z: 72 44.220 1.957 0.774 0.669 0.958 0.732 CB 1.350 72 residues pruned to eliminate duplicates Z: 30 29.695 1.895 0.892 0.797 1.000 0.759 CB 1.185 30 residues pruned to eliminate duplicates Z: 66 45.541 1.997 0.835 0.714 0.954 0.754 CB 1.331 66 residues pruned to eliminate duplicates Z: 77 44.296 1.971 0.765 0.627 0.947 0.632 CB 1.369 77 residues pruned to eliminate duplicates Z: 68 43.360 1.978 0.785 0.689 0.955 0.672 CB 1.321 68 residues pruned to eliminate duplicates Z: 66 46.364 2.005 0.778 0.715 0.985 0.723 CB 1.349 66 residues pruned to eliminate duplicates Z: 40 46.027 2.094 0.885 0.813 0.949 0.744 CA 1.499 40 residues pruned to eliminate duplicates Z: 16 25.384 1.986 1.143 0.825 0.867 0.467 CA 1.341 16 residues pruned to eliminate duplicates Z: 18 28.453 1.938 1.063 0.765 1.000 0.588 CA 1.364 18 residues pruned to eliminate duplicates 424 residues left after pruning, divided into chains as follows: A: 22 B: 18 C: 11 D: 50 E: 58 F: 115 G: 150 CC for partial structure against native data = 41.68 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.477, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.556, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.663, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.675, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.687, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.692, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.697, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.700, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.702, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.703, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2974 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 588 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 26.085 2.102 0.761 0.851 1.000 0.786 CA 1.394 B: 20 39.650 2.258 1.000 0.804 0.947 0.684 CB 1.631 C: 24 52.492 2.296 0.971 0.945 1.000 0.826 CB 1.674 20 residues pruned to eliminate duplicates D: 22 61.053 2.460 1.148 0.939 1.000 0.381 CB 1.752 24 residues pruned to eliminate duplicates E: 14 26.869 2.280 0.483 0.874 1.000 0.923 CA 1.604 15 residues pruned to eliminate duplicates F: 18 52.194 2.386 1.223 0.912 1.000 0.529 CA 1.690 17 residues pruned to eliminate duplicates G: 27 38.447 2.179 0.694 0.903 0.962 0.654 CB 1.514 H: 24 49.517 2.353 0.958 0.918 0.957 0.522 CB 1.653 23 residues pruned to eliminate duplicates I: 28 33.652 2.126 0.641 0.871 1.000 0.556 CB 1.354 27 residues pruned to eliminate duplicates J: 22 53.279 2.415 0.948 0.928 1.000 0.810 CA 1.731 22 residues pruned to eliminate duplicates K: 18 49.212 2.315 1.317 0.904 1.000 0.647 CA 1.586 L: 16 26.622 1.976 0.897 0.897 1.000 0.800 CA 1.313 M: 18 46.021 2.269 1.354 0.883 0.941 0.471 CA 1.605 18 residues pruned to eliminate duplicates N: 14 30.737 2.301 0.882 0.862 0.923 0.769 CB 1.566 O: 24 55.935 2.297 1.216 0.873 1.000 0.609 CB 1.669 24 residues pruned to eliminate duplicates P: 23 39.126 2.348 0.886 0.871 0.909 0.500 CB 1.511 23 residues pruned to eliminate duplicates Q: 16 18.751 2.007 0.674 0.822 0.933 0.733 CA 1.168 16 residues pruned to eliminate duplicates R: 14 26.740 2.242 0.802 0.872 1.000 0.692 CB 1.337 15 residues pruned to eliminate duplicates S: 18 52.671 2.301 1.440 0.912 1.000 0.706 CA 1.611 18 residues pruned to eliminate duplicates T: 14 22.070 2.006 0.516 0.857 1.000 0.846 CB 1.484 U: 13 24.410 2.243 0.938 0.849 0.917 0.583 CB 1.311 13 residues pruned to eliminate duplicates V: 20 43.619 2.200 1.057 0.910 0.947 0.579 CB 1.655 W: 25 50.770 2.298 1.041 0.895 1.000 0.375 CB 1.584 25 residues pruned to eliminate duplicates X: 23 65.845 2.434 1.350 0.933 1.000 0.500 CB 1.713 24 residues pruned to eliminate duplicates Y: 22 64.596 2.464 1.245 0.917 1.000 0.381 CB 1.798 23 residues pruned to eliminate duplicates Z: 23 57.165 2.386 1.241 0.902 0.955 0.591 CB 1.703 23 residues pruned to eliminate duplicates Z: 22 63.359 2.445 1.246 0.947 1.000 0.476 CB 1.740 22 residues pruned to eliminate duplicates Z: 19 37.136 2.201 1.132 0.850 0.833 0.444 CA 1.657 19 residues pruned to eliminate duplicates Z: 27 40.607 2.174 0.738 0.893 1.000 0.769 CB 1.513 28 residues pruned to eliminate duplicates Z: 15 25.905 2.159 0.976 0.905 0.929 0.786 CA 1.244 Z: 19 43.386 2.152 1.444 0.871 0.944 0.833 CA 1.502 18 residues pruned to eliminate duplicates Z: 18 51.603 2.286 1.398 0.931 1.000 0.647 CA 1.596 19 residues pruned to eliminate duplicates Z: 18 52.873 2.287 1.431 0.942 1.000 0.824 CA 1.600 18 residues pruned to eliminate duplicates Z: 56 48.429 2.185 0.793 0.634 0.927 0.691 CA 1.585 39 residues pruned to eliminate duplicates Z: 15 25.951 2.105 1.019 0.828 1.000 0.571 CB 1.228 15 residues pruned to eliminate duplicates Z: 26 38.879 2.206 0.697 0.923 1.000 0.800 CB 1.459 26 residues pruned to eliminate duplicates Z: 16 23.225 2.086 0.799 0.868 0.867 0.667 CA 1.347 15 residues pruned to eliminate duplicates Z: 20 34.988 2.130 0.906 0.859 0.947 0.579 CB 1.536 20 residues pruned to eliminate duplicates Z: 15 23.300 2.168 0.598 0.867 1.000 0.857 CB 1.315 15 residues pruned to eliminate duplicates Z: 18 37.823 2.158 0.865 0.913 1.000 0.765 CA 1.613 Z: 19 43.732 2.242 1.161 0.879 1.000 0.611 CA 1.543 19 residues pruned to eliminate duplicates Z: 26 34.976 2.201 0.585 0.886 0.960 0.720 CB 1.508 26 residues pruned to eliminate duplicates Z: 16 20.591 2.008 0.751 0.803 0.933 0.800 CA 1.243 16 residues pruned to eliminate duplicates Z: 28 29.147 1.965 0.559 0.891 1.000 0.741 CB 1.317 Z: 16 18.355 1.841 0.459 0.813 0.933 0.533 CB 1.441 14 residues pruned to eliminate duplicates Z: 15 34.829 2.170 1.266 0.872 0.929 0.786 CA 1.485 16 residues pruned to eliminate duplicates Z: 19 45.483 2.249 1.305 0.890 0.944 0.667 CA 1.576 19 residues pruned to eliminate duplicates Z: 24 51.686 2.370 0.964 0.954 1.000 0.522 CB 1.593 24 residues pruned to eliminate duplicates Z: 19 34.319 2.101 0.961 0.883 0.944 0.778 CA 1.503 18 residues pruned to eliminate duplicates Z: 19 43.543 2.215 1.309 0.879 0.944 0.667 CA 1.541 18 residues pruned to eliminate duplicates Z: 14 19.909 2.091 0.560 0.611 0.923 0.692 CB 1.650 14 residues pruned to eliminate duplicates Z: 43 23.929 1.928 0.655 0.410 0.905 0.667 CB 1.405 43 residues pruned to eliminate duplicates Z: 14 17.498 1.913 0.843 0.833 0.923 0.692 CB 1.119 Z: 20 41.873 2.177 1.187 0.903 0.947 0.368 CB 1.519 20 residues pruned to eliminate duplicates Z: 18 48.923 2.297 1.417 0.905 1.000 0.647 CA 1.521 18 residues pruned to eliminate duplicates Z: 14 32.994 2.172 1.281 0.916 1.000 0.846 CA 1.304 14 residues pruned to eliminate duplicates Z: 19 34.707 2.080 0.885 0.926 1.000 1.000 CA 1.463 19 residues pruned to eliminate duplicates Z: 16 33.490 2.281 0.917 0.902 0.867 0.467 CA 1.627 16 residues pruned to eliminate duplicates Z: 15 18.015 1.955 0.472 0.870 0.929 0.857 CA 1.315 15 residues pruned to eliminate duplicates Z: 25 33.536 2.076 0.770 0.926 1.000 0.583 CB 1.306 26 residues pruned to eliminate duplicates Z: 14 32.509 2.238 1.056 0.895 0.923 0.692 CB 1.522 13 residues pruned to eliminate duplicates Z: 17 41.213 2.224 1.133 0.886 0.938 0.625 CA 1.671 19 residues pruned to eliminate duplicates Z: 15 27.284 1.985 1.034 0.917 1.000 0.857 CB 1.274 15 residues pruned to eliminate duplicates Z: 25 42.774 2.267 0.660 0.935 1.000 0.875 CA 1.616 24 residues pruned to eliminate duplicates Z: 14 19.668 1.966 0.359 0.857 1.000 0.769 CA 1.505 14 residues pruned to eliminate duplicates Z: 24 51.143 2.360 0.963 0.898 1.000 0.826 CB 1.646 24 residues pruned to eliminate duplicates Z: 21 32.298 2.095 0.634 0.916 1.000 0.750 CB 1.490 21 residues pruned to eliminate duplicates Z: 27 38.794 2.168 0.819 0.891 1.000 0.615 CB 1.387 27 residues pruned to eliminate duplicates Z: 26 33.384 2.030 0.797 0.892 0.960 0.720 CB 1.369 25 residues pruned to eliminate duplicates Z: 26 27.457 2.004 0.518 0.911 0.960 0.760 CB 1.332 26 residues pruned to eliminate duplicates Z: 26 36.912 2.227 0.732 0.904 0.960 0.600 CB 1.419 26 residues pruned to eliminate duplicates Z: 18 39.229 2.211 0.977 0.898 1.000 0.882 CA 1.556 18 residues pruned to eliminate duplicates Z: 13 28.991 2.364 0.818 0.889 0.917 0.500 CB 1.530 13 residues pruned to eliminate duplicates Z: 16 19.406 2.200 0.108 0.921 0.933 0.800 CB 1.551 16 residues pruned to eliminate duplicates Z: 19 36.877 2.041 1.163 0.889 0.944 0.556 CB 1.500 18 residues pruned to eliminate duplicates Z: 16 25.569 2.008 1.134 0.802 0.933 0.733 CA 1.268 16 residues pruned to eliminate duplicates Z: 58 59.690 2.255 0.821 0.712 0.947 0.737 CB 1.677 54 residues pruned to eliminate duplicates Z: 21 36.712 2.145 0.929 0.876 0.950 0.550 CB 1.517 21 residues pruned to eliminate duplicates Z: 25 40.342 2.253 0.756 0.899 0.958 0.708 CA 1.553 25 residues pruned to eliminate duplicates Z: 19 40.283 2.202 0.835 0.953 1.000 0.611 CB 1.617 19 residues pruned to eliminate duplicates Z: 16 21.245 1.984 0.694 0.517 1.000 0.800 CB 1.604 16 residues pruned to eliminate duplicates Z: 19 37.012 2.076 0.956 0.921 1.000 0.889 CB 1.511 18 residues pruned to eliminate duplicates Z: 14 22.251 2.171 0.628 0.909 0.846 0.846 CB 1.465 14 residues pruned to eliminate duplicates Z: 18 35.600 2.155 0.953 0.898 1.000 0.882 CA 1.467 19 residues pruned to eliminate duplicates Z: 27 40.123 2.173 0.749 0.897 1.000 0.654 CB 1.482 27 residues pruned to eliminate duplicates Z: 24 41.137 2.277 0.763 0.928 1.000 0.826 CB 1.497 24 residues pruned to eliminate duplicates Z: 17 45.584 2.266 1.073 0.932 1.000 1.000 CA 1.693 18 residues pruned to eliminate duplicates Z: 20 43.698 2.198 1.054 0.913 1.000 0.526 CB 1.571 20 residues pruned to eliminate duplicates Z: 12 15.141 2.160 0.662 0.809 0.909 0.727 CB 1.069 13 residues pruned to eliminate duplicates Z: 20 37.393 2.176 0.755 0.918 1.000 0.737 CA 1.584 20 residues pruned to eliminate duplicates Z: 45 33.904 2.091 0.793 0.615 0.909 0.568 CB 1.345 14 residues pruned to eliminate duplicates Z: 20 44.505 2.206 1.003 0.918 1.000 0.421 CB 1.630 20 residues pruned to eliminate duplicates Z: 19 40.518 2.296 1.020 0.897 0.889 0.500 CB 1.658 19 residues pruned to eliminate duplicates Z: 26 37.793 2.167 0.904 0.875 0.960 0.520 CB 1.387 27 residues pruned to eliminate duplicates Z: 14 41.198 2.245 1.372 0.919 1.000 0.692 CA 1.512 15 residues pruned to eliminate duplicates Z: 7 15.100 1.912 0.643 0.885 1.000 0.667 CB 1.417 7 residues pruned to eliminate duplicates Z: 11 20.576 2.190 0.732 0.885 1.000 0.800 CB 1.238 13 residues pruned to eliminate duplicates Z: 13 16.679 1.768 0.503 0.849 1.000 0.833 CB 1.343 13 residues pruned to eliminate duplicates Z: 15 36.160 2.208 1.250 0.927 1.000 0.500 CA 1.363 14 residues pruned to eliminate duplicates Z: 18 38.464 2.171 1.013 0.930 1.000 1.000 CA 1.493 18 residues pruned to eliminate duplicates Z: 16 41.197 2.260 1.065 0.930 0.933 0.667 CA 1.707 16 residues pruned to eliminate duplicates Z: 15 34.813 2.137 1.234 0.851 0.929 0.429 CB 1.553 15 residues pruned to eliminate duplicates Z: 11 10.171 1.899 0.168 0.894 1.000 0.800 CB 1.040 Z: 19 37.405 2.051 1.066 0.864 0.944 0.611 CA 1.615 18 residues pruned to eliminate duplicates Z: 14 23.011 2.119 1.011 0.877 0.923 0.923 CA 1.178 14 residues pruned to eliminate duplicates Z: 19 37.223 2.134 1.000 0.913 0.944 0.833 CA 1.540 18 residues pruned to eliminate duplicates Z: 27 40.538 2.177 0.901 0.892 0.962 0.577 CB 1.436 27 residues pruned to eliminate duplicates Z: 29 41.971 2.140 0.896 0.828 1.000 0.786 CA 1.472 18 residues pruned to eliminate duplicates Z: 19 44.859 2.214 1.226 0.895 1.000 0.667 CA 1.538 19 residues pruned to eliminate duplicates Z: 26 40.316 2.201 0.775 0.908 1.000 0.560 CB 1.466 26 residues pruned to eliminate duplicates Z: 25 23.584 2.063 0.191 0.914 1.000 0.958 CB 1.386 25 residues pruned to eliminate duplicates Z: 25 38.217 2.245 0.700 0.909 0.958 0.750 CB 1.514 25 residues pruned to eliminate duplicates Z: 25 29.022 2.086 0.576 0.907 0.958 0.875 CB 1.337 25 residues pruned to eliminate duplicates Z: 18 19.312 2.090 0.122 0.904 1.000 0.941 CB 1.423 18 residues pruned to eliminate duplicates Z: 15 20.288 2.072 0.807 0.551 0.929 0.571 CA 1.484 15 residues pruned to eliminate duplicates Z: 25 43.755 2.241 0.937 0.909 1.000 0.542 CB 1.460 26 residues pruned to eliminate duplicates Z: 16 21.299 1.885 0.559 0.856 1.000 0.867 CA 1.380 Z: 17 34.559 2.250 0.950 0.934 1.000 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 16 40.468 2.362 1.230 0.903 0.933 0.667 CA 1.515 16 residues pruned to eliminate duplicates Z: 12 16.382 1.964 0.421 0.857 0.909 0.636 CB 1.434 12 residues pruned to eliminate duplicates Z: 13 23.283 2.024 1.034 0.827 1.000 0.833 CA 1.231 12 residues pruned to eliminate duplicates Z: 8 15.902 2.078 0.575 0.675 1.000 0.857 CB 1.563 8 residues pruned to eliminate duplicates Z: 20 41.585 2.183 1.208 0.909 0.947 0.526 CB 1.483 20 residues pruned to eliminate duplicates Z: 26 30.154 2.005 0.644 0.916 0.960 0.760 CB 1.345 26 residues pruned to eliminate duplicates Z: 18 42.477 2.139 1.360 0.910 1.000 0.471 CA 1.447 18 residues pruned to eliminate duplicates Z: 13 23.331 1.991 0.632 0.876 1.000 0.833 CA 1.507 15 residues pruned to eliminate duplicates Z: 14 16.704 1.944 0.440 0.822 0.923 0.846 CB 1.356 14 residues pruned to eliminate duplicates Z: 10 37.041 2.449 1.077 0.903 0.889 0.333 CB 1.946 10 residues pruned to eliminate duplicates Z: 26 27.793 1.989 0.424 0.904 1.000 0.800 CA 1.398 26 residues pruned to eliminate duplicates Z: 21 34.264 2.141 0.690 0.939 1.000 0.950 CB 1.472 21 residues pruned to eliminate duplicates Z: 18 31.587 2.182 1.030 0.862 0.941 0.588 CB 1.349 18 residues pruned to eliminate duplicates Z: 15 21.408 2.081 0.561 0.817 0.929 0.929 CA 1.440 15 residues pruned to eliminate duplicates Z: 19 40.575 2.223 0.875 0.928 1.000 0.611 CB 1.606 19 residues pruned to eliminate duplicates Z: 7 11.058 1.754 0.328 0.886 1.000 1.000 CB 1.399 7 residues pruned to eliminate duplicates Z: 27 30.613 2.179 0.504 0.859 0.923 0.731 CA 1.460 27 residues pruned to eliminate duplicates Z: 13 16.338 1.960 0.505 0.895 1.000 1.000 CB 1.146 13 residues pruned to eliminate duplicates Z: 15 17.641 1.841 0.376 0.887 1.000 0.857 CA 1.342 15 residues pruned to eliminate duplicates Z: 15 27.016 2.004 1.088 0.914 0.929 0.786 CB 1.315 16 residues pruned to eliminate duplicates Z: 13 42.014 2.310 1.298 0.936 1.000 0.833 CB 1.591 14 residues pruned to eliminate duplicates Z: 12 23.738 2.093 0.958 0.899 1.000 0.818 CB 1.248 11 residues pruned to eliminate duplicates Z: 19 42.382 2.217 1.133 0.902 1.000 0.778 CA 1.507 19 residues pruned to eliminate duplicates Z: 13 15.760 1.894 0.627 0.850 0.833 0.750 CB 1.312 11 residues pruned to eliminate duplicates Z: 13 16.004 2.077 0.132 0.899 1.000 0.917 CB 1.405 13 residues pruned to eliminate duplicates Z: 18 36.085 2.182 0.845 0.931 1.000 1.000 CA 1.519 18 residues pruned to eliminate duplicates Z: 10 15.986 1.934 0.344 0.881 1.000 0.667 CB 1.485 Z: 26 29.811 2.037 0.661 0.919 1.000 0.600 CB 1.242 26 residues pruned to eliminate duplicates Z: 26 30.662 2.120 0.745 0.900 0.920 0.600 CB 1.287 26 residues pruned to eliminate duplicates Z: 6 5.871 1.806 0.163 0.812 0.800 0.400 CA 1.191 6 residues pruned to eliminate duplicates Z: 11 22.786 1.993 0.956 0.906 1.000 0.800 CB 1.315 12 residues pruned to eliminate duplicates Z: 13 30.429 2.285 0.850 0.904 1.000 0.833 CB 1.480 13 residues pruned to eliminate duplicates Z: 16 45.146 2.409 1.075 0.920 1.000 0.800 CA 1.642 16 residues pruned to eliminate duplicates Z: 20 25.777 2.054 0.390 0.947 1.000 0.947 CB 1.431 20 residues pruned to eliminate duplicates Z: 15 22.992 2.088 0.943 0.807 0.857 0.643 CA 1.353 15 residues pruned to eliminate duplicates Z: 27 33.017 2.002 0.828 0.919 0.962 0.769 CB 1.297 27 residues pruned to eliminate duplicates Z: 19 38.359 2.204 1.088 0.857 1.000 0.889 CA 1.448 19 residues pruned to eliminate duplicates Z: 27 24.482 1.999 0.583 0.892 0.885 0.538 CB 1.232 27 residues pruned to eliminate duplicates Z: 12 17.164 1.897 0.520 0.915 1.000 1.000 CA 1.268 12 residues pruned to eliminate duplicates Z: 15 22.123 1.931 0.649 0.918 0.929 0.857 CB 1.410 16 residues pruned to eliminate duplicates Z: 9 16.133 1.980 0.383 0.892 1.000 1.000 CB 1.496 9 residues pruned to eliminate duplicates Z: 26 29.941 2.027 0.593 0.914 0.960 0.760 CB 1.366 26 residues pruned to eliminate duplicates Z: 12 17.150 2.028 0.311 0.835 1.000 0.727 CB 1.456 10 residues pruned to eliminate duplicates Z: 9 13.538 1.987 0.575 0.519 1.000 0.500 CB 1.502 9 residues pruned to eliminate duplicates Z: 12 9.662 2.118 0.443 0.730 0.818 0.636 CB 0.947 12 residues pruned to eliminate duplicates Z: 21 42.310 2.044 1.311 0.928 0.950 0.550 CB 1.476 21 residues pruned to eliminate duplicates Z: 55 51.606 2.230 0.916 0.649 0.944 0.667 CA 1.515 50 residues pruned to eliminate duplicates Z: 19 48.925 2.218 1.242 0.939 1.000 0.611 CB 1.611 19 residues pruned to eliminate duplicates Z: 14 27.089 2.248 0.927 0.923 0.846 0.462 CB 1.440 14 residues pruned to eliminate duplicates Z: 16 18.727 1.758 0.885 0.858 0.867 0.733 CB 1.239 16 residues pruned to eliminate duplicates Z: 25 30.561 2.074 0.630 0.924 0.958 0.833 CB 1.352 25 residues pruned to eliminate duplicates Z: 9 10.071 2.049 0.217 0.615 0.875 0.375 CA 1.463 9 residues pruned to eliminate duplicates Z: 30 28.252 2.098 0.769 0.531 0.931 0.655 CA 1.474 30 residues pruned to eliminate duplicates Z: 16 19.375 1.940 0.492 0.878 0.933 0.800 CA 1.344 16 residues pruned to eliminate duplicates Z: 17 34.875 2.229 0.879 0.879 1.000 0.875 CA 1.510 17 residues pruned to eliminate duplicates Z: 26 28.479 1.983 0.616 0.902 1.000 0.760 CB 1.268 26 residues pruned to eliminate duplicates Z: 8 11.863 1.863 0.258 0.900 1.000 1.000 CB 1.367 8 residues pruned to eliminate duplicates Z: 16 16.135 1.864 0.460 0.841 0.933 0.933 CA 1.223 16 residues pruned to eliminate duplicates Z: 14 17.694 2.029 0.494 0.854 1.000 0.846 CB 1.195 14 residues pruned to eliminate duplicates Z: 13 18.306 1.930 0.599 0.818 1.000 0.667 CB 1.299 13 residues pruned to eliminate duplicates Z: 13 24.835 2.300 0.837 0.873 1.000 0.583 CB 1.236 13 residues pruned to eliminate duplicates Z: 11 17.374 2.000 0.446 0.923 1.000 1.000 CA 1.335 11 residues pruned to eliminate duplicates Z: 14 30.397 2.206 1.001 0.842 0.923 0.769 CA 1.542 14 residues pruned to eliminate duplicates Z: 6 2.337 1.810 -0.474 0.648 0.800 0.800 CB 1.196 Z: 11 21.899 1.999 0.930 0.901 1.000 0.900 CB 1.281 11 residues pruned to eliminate duplicates Z: 12 18.531 1.921 0.475 0.860 1.000 0.818 CB 1.450 12 residues pruned to eliminate duplicates Z: 13 16.544 1.859 0.604 0.856 0.917 0.833 CA 1.289 13 residues pruned to eliminate duplicates Z: 15 20.878 2.053 0.631 0.843 0.929 0.929 CA 1.337 15 residues pruned to eliminate duplicates Z: 13 20.529 1.902 0.668 0.908 1.000 0.917 CB 1.326 13 residues pruned to eliminate duplicates Z: 14 32.925 2.226 1.158 0.912 1.000 0.846 CA 1.346 14 residues pruned to eliminate duplicates Z: 26 27.056 2.050 0.584 0.914 1.000 0.760 CB 1.179 26 residues pruned to eliminate duplicates Z: 14 25.828 2.034 1.126 0.923 0.923 0.462 CB 1.261 14 residues pruned to eliminate duplicates Z: 26 34.891 2.188 0.627 0.876 0.960 0.680 CA 1.484 26 residues pruned to eliminate duplicates Z: 26 27.490 2.048 0.599 0.903 0.960 0.640 CB 1.246 26 residues pruned to eliminate duplicates Z: 27 30.106 2.107 0.829 0.589 0.923 0.654 CA 1.524 27 residues pruned to eliminate duplicates Z: 20 39.018 2.158 0.904 0.919 1.000 0.474 CB 1.535 20 residues pruned to eliminate duplicates Z: 13 14.608 1.780 0.500 0.842 0.917 0.667 CB 1.284 13 residues pruned to eliminate duplicates Z: 26 27.673 2.019 0.649 0.890 0.960 0.680 CB 1.246 26 residues pruned to eliminate duplicates Z: 15 26.850 2.028 1.121 0.881 0.929 0.857 CB 1.301 14 residues pruned to eliminate duplicates Z: 14 25.417 2.193 0.851 0.894 1.000 0.846 CA 1.245 14 residues pruned to eliminate duplicates Z: 15 33.460 2.318 0.805 0.866 0.929 0.643 CA 1.686 15 residues pruned to eliminate duplicates Z: 93 57.821 2.145 0.946 0.602 0.880 0.565 CB 1.488 96 residues pruned to eliminate duplicates Z: 19 16.278 1.821 0.658 0.684 0.889 0.778 CB 1.208 20 residues pruned to eliminate duplicates Z: 14 26.583 2.263 1.006 0.902 0.846 0.538 CB 1.370 14 residues pruned to eliminate duplicates Z: 15 30.024 2.033 1.165 0.895 1.000 0.500 CB 1.306 15 residues pruned to eliminate duplicates Z: 56 59.013 2.204 1.053 0.673 0.982 0.709 CA 1.526 56 residues pruned to eliminate duplicates Z: 14 28.769 2.204 0.826 0.903 1.000 0.692 CA 1.412 14 residues pruned to eliminate duplicates Z: 13 17.256 1.885 0.770 0.883 0.833 0.667 CB 1.294 13 residues pruned to eliminate duplicates Z: 11 17.019 1.976 0.600 0.886 1.000 0.800 CA 1.228 11 residues pruned to eliminate duplicates Z: 12 8.435 2.012 0.328 0.367 0.909 0.273 CB 1.208 12 residues pruned to eliminate duplicates Z: 18 45.744 2.296 1.240 0.931 1.000 0.941 CA 1.507 18 residues pruned to eliminate duplicates Z: 16 15.346 1.723 0.655 0.851 0.933 0.667 CB 1.101 Z: 27 29.936 1.991 0.456 0.908 1.000 0.846 CA 1.438 27 residues pruned to eliminate duplicates Z: 8 6.072 1.660 0.417 0.359 1.000 0.286 CA 1.136 Z: 13 34.752 2.259 1.322 0.947 0.917 0.833 CB 1.442 13 residues pruned to eliminate duplicates Z: 6 6.000 1.630 0.604 0.559 0.800 0.600 N 1.212 Z: 12 14.440 1.963 0.275 0.903 1.000 0.909 CB 1.240 12 residues pruned to eliminate duplicates Z: 14 28.178 2.084 1.170 0.905 0.923 0.615 CB 1.333 15 residues pruned to eliminate duplicates Z: 6 17.540 2.072 1.009 0.842 1.000 1.000 CB 1.404 Z: 9 10.925 1.671 0.752 0.894 0.875 0.625 CB 1.082 9 residues pruned to eliminate duplicates Z: 14 33.861 2.222 1.150 0.912 1.000 0.769 CA 1.392 14 residues pruned to eliminate duplicates Z: 15 29.187 2.104 1.190 0.903 0.857 0.429 CA 1.408 15 residues pruned to eliminate duplicates Z: 13 14.705 1.876 0.527 0.837 0.917 0.750 CA 1.209 12 residues pruned to eliminate duplicates Z: 26 36.448 2.210 0.546 0.909 1.000 0.880 CB 1.515 26 residues pruned to eliminate duplicates Z: 13 20.439 1.877 0.774 0.853 1.000 0.750 CA 1.310 13 residues pruned to eliminate duplicates Z: 12 14.524 1.856 0.247 0.891 1.000 0.727 CB 1.361 12 residues pruned to eliminate duplicates Z: 26 27.546 2.171 0.324 0.885 0.960 0.800 CA 1.442 25 residues pruned to eliminate duplicates Z: 12 9.476 1.656 0.144 0.875 1.000 0.909 CB 1.097 Z: 16 22.588 1.904 0.733 0.881 0.933 0.733 CB 1.372 16 residues pruned to eliminate duplicates Z: 26 20.759 1.925 0.241 0.887 0.960 0.880 CB 1.306 26 residues pruned to eliminate duplicates Z: 26 36.056 2.166 0.799 0.888 0.960 0.560 CB 1.389 26 residues pruned to eliminate duplicates Z: 43 34.200 2.125 0.843 0.615 0.929 0.595 CB 1.301 43 residues pruned to eliminate duplicates Z: 15 18.634 1.971 0.430 0.553 1.000 0.786 CA 1.678 15 residues pruned to eliminate duplicates Z: 25 35.233 2.230 0.544 0.944 0.958 0.792 CB 1.509 25 residues pruned to eliminate duplicates Z: 16 23.041 1.837 0.950 0.888 0.933 0.667 CA 1.282 16 residues pruned to eliminate duplicates Z: 14 13.411 1.775 0.363 0.821 0.923 0.692 CA 1.261 14 residues pruned to eliminate duplicates Z: 16 21.734 1.903 0.650 0.864 1.000 0.800 CB 1.310 16 residues pruned to eliminate duplicates Z: 8 7.846 1.948 0.419 0.798 0.571 0.286 CB 1.447 8 residues pruned to eliminate duplicates Z: 26 32.359 2.223 0.414 0.917 0.960 0.720 CB 1.514 26 residues pruned to eliminate duplicates Z: 12 12.720 1.930 0.364 0.885 0.909 0.727 CB 1.157 12 residues pruned to eliminate duplicates Z: 15 28.092 2.066 1.238 0.905 0.929 0.571 CA 1.244 15 residues pruned to eliminate duplicates Z: 12 6.676 1.901 0.562 0.199 0.818 0.455 CB 1.185 Z: 13 13.179 1.969 0.755 0.750 0.917 0.667 CB 0.961 13 residues pruned to eliminate duplicates Z: 6 6.219 1.666 0.739 0.447 0.800 0.600 CB 1.267 Z: 14 21.727 1.966 0.749 0.880 0.923 0.692 CA 1.375 14 residues pruned to eliminate duplicates Z: 56 46.509 2.176 0.730 0.662 0.909 0.691 CA 1.577 56 residues pruned to eliminate duplicates Z: 20 33.769 2.142 0.647 0.921 1.000 0.895 CA 1.545 20 residues pruned to eliminate duplicates Z: 14 19.262 1.796 0.898 0.873 0.923 0.538 CB 1.237 14 residues pruned to eliminate duplicates Z: 16 20.521 1.886 0.614 0.870 0.933 0.867 CA 1.361 16 residues pruned to eliminate duplicates Z: 11 15.265 1.804 1.019 0.905 1.000 0.800 CB 0.943 11 residues pruned to eliminate duplicates Z: 14 19.765 2.082 0.592 0.843 0.923 0.769 CA 1.335 14 residues pruned to eliminate duplicates Z: 10 4.999 1.866 0.210 0.365 0.778 0.667 CB 1.098 9 residues pruned to eliminate duplicates Z: 38 35.433 2.114 0.907 0.625 0.892 0.568 CB 1.440 38 residues pruned to eliminate duplicates Z: 25 33.430 2.220 0.524 0.918 1.000 0.917 CA 1.423 25 residues pruned to eliminate duplicates Z: 7 10.173 1.885 0.688 0.550 1.000 0.833 CB 1.242 7 residues pruned to eliminate duplicates Z: 14 30.653 2.230 1.022 0.770 0.923 0.538 CB 1.609 14 residues pruned to eliminate duplicates Z: 10 13.413 1.925 0.141 0.904 1.000 0.778 CB 1.450 10 residues pruned to eliminate duplicates Z: 19 45.277 2.145 1.271 0.886 1.000 0.833 CA 1.580 19 residues pruned to eliminate duplicates Z: 76 56.295 2.153 0.878 0.653 0.933 0.720 CB 1.493 76 residues pruned to eliminate duplicates Z: 36 22.030 1.973 0.298 0.707 0.943 0.743 CB 1.278 36 residues pruned to eliminate duplicates Z: 27 28.598 1.989 0.528 0.894 0.962 0.808 CB 1.376 27 residues pruned to eliminate duplicates Z: 15 29.510 2.067 1.440 0.889 0.857 0.500 CA 1.314 15 residues pruned to eliminate duplicates Z: 27 40.560 2.168 0.947 0.926 0.962 0.462 CB 1.375 27 residues pruned to eliminate duplicates Z: 14 13.564 1.919 0.395 0.551 1.000 0.615 CB 1.337 15 residues pruned to eliminate duplicates Z: 11 15.836 1.948 0.529 0.823 0.900 0.800 CA 1.413 11 residues pruned to eliminate duplicates Z: 12 10.581 1.641 0.309 0.844 1.000 1.000 CB 1.105 12 residues pruned to eliminate duplicates Z: 19 30.685 2.174 0.474 0.894 1.000 0.889 CB 1.619 19 residues pruned to eliminate duplicates Z: 14 35.200 2.236 1.308 0.908 0.923 0.692 CB 1.455 14 residues pruned to eliminate duplicates Z: 9 2.893 1.628 0.278 0.293 0.625 0.375 CA 0.991 9 residues pruned to eliminate duplicates Z: 12 8.202 1.924 0.395 0.166 0.909 0.273 N 1.522 12 residues pruned to eliminate duplicates Z: 86 49.445 2.044 0.819 0.688 0.941 0.671 CB 1.290 87 residues pruned to eliminate duplicates Z: 26 47.369 2.201 1.024 0.936 1.000 0.520 CB 1.480 26 residues pruned to eliminate duplicates Z: 15 23.319 1.962 0.751 0.889 0.929 0.786 CA 1.406 15 residues pruned to eliminate duplicates Z: 10 2.347 1.680 -0.025 0.188 0.667 0.444 CB 1.041 10 residues pruned to eliminate duplicates Z: 7 4.040 1.703 0.192 0.220 1.000 0.833 CB 1.129 Z: 15 26.469 2.021 1.022 0.856 0.929 0.500 CA 1.375 15 residues pruned to eliminate duplicates Z: 14 21.592 1.977 0.451 0.885 1.000 0.615 CB 1.507 14 residues pruned to eliminate duplicates Z: 25 38.722 2.298 0.540 0.933 1.000 1.000 CA 1.559 25 residues pruned to eliminate duplicates Z: 15 15.762 1.786 0.526 0.859 1.000 0.786 CB 1.137 15 residues pruned to eliminate duplicates Z: 15 27.179 2.039 0.861 0.888 1.000 0.857 CB 1.379 15 residues pruned to eliminate duplicates Z: 6 5.321 1.553 0.507 0.468 1.000 0.600 CA 1.050 Z: 12 14.017 1.784 0.565 0.878 0.909 0.545 CB 1.208 12 residues pruned to eliminate duplicates Z: 15 16.946 1.953 0.664 0.814 0.929 0.786 CB 1.142 15 residues pruned to eliminate duplicates Z: 26 26.932 2.016 0.392 0.900 1.000 0.880 CB 1.371 26 residues pruned to eliminate duplicates Z: 18 21.650 1.951 0.797 0.767 1.000 0.706 CB 1.182 18 residues pruned to eliminate duplicates Z: 15 11.104 1.709 0.228 0.859 1.000 0.929 CB 1.041 15 residues pruned to eliminate duplicates Z: 24 37.621 2.351 0.507 0.945 1.000 1.000 CA 1.533 24 residues pruned to eliminate duplicates Z: 13 19.133 2.128 0.529 0.874 1.000 0.750 CA 1.236 13 residues pruned to eliminate duplicates Z: 13 26.553 1.948 1.029 0.893 1.000 0.667 CB 1.392 14 residues pruned to eliminate duplicates Z: 16 13.981 1.711 0.604 0.863 0.933 0.933 CB 1.034 16 residues pruned to eliminate duplicates Z: 16 14.892 1.726 0.583 0.868 0.933 0.667 CB 1.102 16 residues pruned to eliminate duplicates Z: 10 9.035 1.629 0.218 0.912 1.000 0.778 CB 1.075 Z: 14 15.387 1.784 0.671 0.877 0.923 0.692 CB 1.126 14 residues pruned to eliminate duplicates Z: 26 32.865 2.037 0.782 0.911 1.000 0.480 CB 1.284 26 residues pruned to eliminate duplicates Z: 24 23.216 1.989 0.726 0.557 0.913 0.565 CB 1.462 24 residues pruned to eliminate duplicates Z: 26 25.211 2.035 0.483 0.877 0.960 0.760 CB 1.264 26 residues pruned to eliminate duplicates Z: 14 33.862 2.262 1.227 0.943 0.923 0.846 CA 1.399 14 residues pruned to eliminate duplicates Z: 19 38.317 2.227 1.181 0.901 0.944 0.667 CA 1.405 19 residues pruned to eliminate duplicates Z: 43 35.215 2.131 0.817 0.609 0.929 0.643 CB 1.363 43 residues pruned to eliminate duplicates Z: 9 12.664 1.995 0.058 0.917 1.000 0.750 CB 1.498 9 residues pruned to eliminate duplicates Z: 10 4.157 1.545 0.341 0.191 0.778 0.556 C 1.245 8 residues pruned to eliminate duplicates Z: 20 21.073 1.946 0.272 0.915 1.000 0.895 CB 1.380 20 residues pruned to eliminate duplicates Z: 27 33.756 2.162 0.552 0.896 0.962 0.731 CB 1.470 27 residues pruned to eliminate duplicates Z: 12 11.140 1.773 0.140 0.803 1.000 0.727 CA 1.275 12 residues pruned to eliminate duplicates Z: 8 4.683 1.476 0.126 0.455 1.000 0.286 N 1.116 Z: 11 10.366 1.561 0.628 0.907 1.000 0.400 CB 0.916 12 residues pruned to eliminate duplicates Z: 43 56.105 2.187 1.018 0.823 0.976 0.786 CB 1.519 43 residues pruned to eliminate duplicates Z: 15 36.921 2.387 0.866 0.898 0.929 0.786 CA 1.707 15 residues pruned to eliminate duplicates Z: 10 11.186 1.650 0.349 0.914 1.000 0.889 CB 1.185 10 residues pruned to eliminate duplicates Z: 16 13.527 1.857 0.206 0.842 0.933 0.867 CB 1.244 16 residues pruned to eliminate duplicates Z: 6 3.967 1.182 0.534 0.491 1.000 0.600 C 0.987 Z: 10 10.231 1.854 0.312 0.831 0.778 0.778 CB 1.354 10 residues pruned to eliminate duplicates Z: 15 15.799 1.907 0.512 0.887 0.929 0.643 CB 1.137 15 residues pruned to eliminate duplicates Z: 13 20.488 2.060 0.409 0.881 1.000 0.833 CB 1.475 13 residues pruned to eliminate duplicates Z: 15 25.178 1.916 0.875 0.872 1.000 0.786 CB 1.365 15 residues pruned to eliminate duplicates Z: 15 34.082 2.118 1.066 0.869 1.000 0.643 CA 1.521 15 residues pruned to eliminate duplicates Z: 36 29.108 2.045 0.755 0.682 0.914 0.571 CB 1.269 36 residues pruned to eliminate duplicates Z: 19 42.939 2.157 1.194 0.853 1.000 0.833 CA 1.581 19 residues pruned to eliminate duplicates Z: 9 4.320 1.459 0.566 0.296 0.875 0.500 CA 0.960 9 residues pruned to eliminate duplicates Z: 24 22.030 1.917 1.090 0.593 0.826 0.609 CB 1.270 24 residues pruned to eliminate duplicates Z: 27 34.709 2.004 0.877 0.925 1.000 0.538 CB 1.270 27 residues pruned to eliminate duplicates Z: 26 22.576 1.945 0.414 0.891 0.960 0.840 CB 1.230 26 residues pruned to eliminate duplicates Z: 15 12.436 1.698 0.486 0.900 1.000 0.786 CB 0.941 15 residues pruned to eliminate duplicates Z: 11 16.551 1.932 0.788 0.588 1.000 0.900 CB 1.392 11 residues pruned to eliminate duplicates Z: 47 30.245 1.977 0.838 0.592 0.870 0.587 CB 1.292 47 residues pruned to eliminate duplicates Z: 11 19.639 2.028 1.041 0.838 0.900 0.400 CB 1.247 11 residues pruned to eliminate duplicates Z: 27 22.786 1.953 0.266 0.860 1.000 0.846 CB 1.330 27 residues pruned to eliminate duplicates Z: 29 27.118 2.154 0.811 0.561 0.857 0.607 CB 1.444 29 residues pruned to eliminate duplicates Z: 70 39.424 1.985 0.634 0.680 0.942 0.768 CB 1.316 72 residues pruned to eliminate duplicates Z: 19 29.583 2.084 0.738 0.888 1.000 0.944 CA 1.388 19 residues pruned to eliminate duplicates Z: 12 16.777 2.041 0.497 0.838 0.909 0.818 CB 1.361 12 residues pruned to eliminate duplicates Z: 6 3.737 1.390 0.281 0.566 0.800 0.400 CB 1.101 6 residues pruned to eliminate duplicates Z: 15 21.321 1.949 0.569 0.869 1.000 0.857 CA 1.361 15 residues pruned to eliminate duplicates Z: 16 14.009 1.730 0.528 0.877 0.933 0.733 CB 1.064 16 residues pruned to eliminate duplicates Z: 13 14.604 1.877 0.296 0.858 1.000 0.667 CA 1.276 13 residues pruned to eliminate duplicates Z: 6 5.842 1.925 0.416 0.310 1.000 0.600 CB 1.184 Z: 15 25.997 2.086 1.053 0.871 0.929 0.929 CA 1.274 15 residues pruned to eliminate duplicates Z: 11 9.471 1.588 0.245 0.919 1.000 0.500 CB 1.068 11 residues pruned to eliminate duplicates Z: 11 18.486 2.215 0.643 0.568 0.900 0.700 CA 1.670 11 residues pruned to eliminate duplicates Z: 7 3.494 1.397 0.612 0.558 0.833 0.667 CB 0.719 Z: 16 13.049 1.722 0.457 0.866 0.933 0.733 CB 1.053 16 residues pruned to eliminate duplicates Z: 44 20.082 1.772 0.485 0.635 0.884 0.581 CB 1.160 32 residues pruned to eliminate duplicates Z: 10 8.967 1.614 0.185 0.848 1.000 0.778 CB 1.159 10 residues pruned to eliminate duplicates Z: 14 16.606 1.827 0.520 0.892 0.923 0.692 CB 1.290 14 residues pruned to eliminate duplicates Z: 6 2.296 1.691 0.420 0.356 0.800 0.600 CB 0.624 Z: 6 2.012 1.219 0.704 0.277 0.800 0.600 N 0.696 Z: 11 11.266 1.721 0.641 0.798 0.900 0.600 CB 1.080 11 residues pruned to eliminate duplicates Z: 34 30.249 2.140 0.431 0.754 0.939 0.758 CA 1.460 34 residues pruned to eliminate duplicates Z: 11 8.100 1.502 0.317 0.919 1.000 1.000 CB 0.912 11 residues pruned to eliminate duplicates Z: 13 8.210 1.552 0.149 0.830 0.917 0.833 CB 1.090 13 residues pruned to eliminate duplicates Z: 15 14.485 1.926 0.265 0.889 0.929 0.857 CA 1.232 15 residues pruned to eliminate duplicates Z: 18 9.152 1.525 0.751 0.347 0.824 0.471 CA 1.192 18 residues pruned to eliminate duplicates Z: 6 6.050 1.510 0.498 0.779 0.800 0.600 O 1.169 6 residues pruned to eliminate duplicates Z: 6 3.744 1.204 0.338 0.760 1.000 0.800 CA 0.825 6 residues pruned to eliminate duplicates Z: 10 11.752 1.813 0.488 0.795 0.889 0.556 CB 1.261 10 residues pruned to eliminate duplicates Z: 118 45.587 1.949 0.517 0.688 0.932 0.709 CB 1.288 118 residues pruned to eliminate duplicates Z: 26 40.448 2.191 0.836 0.902 0.960 0.760 CB 1.494 26 residues pruned to eliminate duplicates Z: 16 22.393 1.984 0.811 0.836 0.933 0.800 CA 1.290 16 residues pruned to eliminate duplicates Z: 17 20.877 1.972 0.916 0.586 0.875 0.438 CB 1.454 15 residues pruned to eliminate duplicates Z: 14 18.512 1.860 0.567 0.918 0.923 0.692 CB 1.347 14 residues pruned to eliminate duplicates Z: 19 18.351 1.898 0.471 0.584 0.944 0.444 CB 1.513 19 residues pruned to eliminate duplicates Z: 15 12.840 1.654 0.450 0.828 1.000 0.714 CB 1.077 16 residues pruned to eliminate duplicates Z: 15 12.727 1.615 0.702 0.878 0.929 0.714 CB 0.968 15 residues pruned to eliminate duplicates Z: 11 17.674 1.822 0.948 0.904 1.000 0.600 CB 1.122 11 residues pruned to eliminate duplicates 6 1.606 1.569 0.020 0.144 0.600 0.200 O 1.161 ? Z: 7 13.528 1.857 0.709 0.888 1.000 0.667 CA 1.253 7 residues pruned to eliminate duplicates Z: 16 22.506 2.060 0.821 0.811 0.867 0.467 CA 1.363 16 residues pruned to eliminate duplicates Z: 33 23.638 1.870 0.810 0.670 0.875 0.594 CB 1.206 33 residues pruned to eliminate duplicates Z: 29 22.785 2.005 0.738 0.489 0.929 0.500 CB 1.345 29 residues pruned to eliminate duplicates Z: 58 55.108 2.193 1.051 0.640 0.947 0.561 CB 1.502 78 residues pruned to eliminate duplicates Z: 6 7.258 2.047 0.522 0.478 1.000 1.000 CA 1.065 6 residues pruned to eliminate duplicates Z: 15 17.340 1.928 0.565 0.808 1.000 0.643 CB 1.175 15 residues pruned to eliminate duplicates Z: 12 18.085 1.718 1.220 0.862 1.000 0.455 CB 1.049 12 residues pruned to eliminate duplicates Z: 18 9.570 1.640 0.288 0.754 0.882 0.765 CB 0.993 18 residues pruned to eliminate duplicates Z: 21 30.926 2.115 0.686 0.877 0.950 0.900 CB 1.482 21 residues pruned to eliminate duplicates Z: 12 22.539 2.026 0.897 0.849 1.000 0.909 CA 1.311 12 residues pruned to eliminate duplicates Z: 14 29.736 2.170 0.854 0.844 0.923 0.692 CA 1.652 14 residues pruned to eliminate duplicates Z: 11 19.780 1.921 1.006 0.910 1.000 0.800 CB 1.151 11 residues pruned to eliminate duplicates Z: 11 8.406 1.637 0.442 0.834 1.000 0.600 CB 0.845 11 residues pruned to eliminate duplicates Z: 14 28.749 2.130 1.080 0.848 0.923 0.692 CA 1.446 14 residues pruned to eliminate duplicates Z: 14 9.127 1.631 0.310 0.696 1.000 0.692 CB 0.990 14 residues pruned to eliminate duplicates Z: 25 42.211 2.268 0.728 0.917 1.000 0.875 CA 1.552 25 residues pruned to eliminate duplicates Z: 15 27.756 2.094 0.917 0.843 0.929 0.571 CA 1.482 15 residues pruned to eliminate duplicates Z: 9 4.149 1.394 0.567 0.354 0.875 0.250 CB 0.899 Z: 57 55.690 2.152 0.936 0.798 0.964 0.804 CA 1.428 57 residues pruned to eliminate duplicates Z: 40 17.479 1.653 0.534 0.674 0.923 0.615 CB 1.019 40 residues pruned to eliminate duplicates Z: 7 3.509 1.597 0.734 0.244 0.667 0.500 CA 1.044 Z: 30 37.419 2.193 0.881 0.713 1.000 0.759 CA 1.389 30 residues pruned to eliminate duplicates Z: 15 19.122 1.756 0.844 0.890 0.929 0.643 CB 1.223 15 residues pruned to eliminate duplicates Z: 7 3.788 1.211 0.307 0.717 0.833 0.833 CA 0.964 Z: 9 14.357 2.093 0.619 0.723 1.000 0.750 CB 1.226 9 residues pruned to eliminate duplicates Z: 35 41.315 2.087 0.976 0.775 0.971 0.382 CB 1.388 34 residues pruned to eliminate duplicates Z: 43 33.209 2.095 0.776 0.610 0.952 0.667 CB 1.303 43 residues pruned to eliminate duplicates Z: 17 16.792 1.768 0.508 0.687 1.000 0.750 CA 1.328 Z: 34 30.962 2.158 0.386 0.739 0.970 0.758 CB 1.499 34 residues pruned to eliminate duplicates Z: 14 10.386 1.845 0.116 0.749 0.846 0.462 CB 1.323 14 residues pruned to eliminate duplicates Z: 37 35.926 2.068 0.784 0.694 0.972 0.750 CA 1.398 37 residues pruned to eliminate duplicates Z: 25 45.147 2.287 0.755 0.921 1.000 0.917 CA 1.616 25 residues pruned to eliminate duplicates Z: 16 11.817 1.935 0.587 0.328 0.867 0.533 CB 1.385 16 residues pruned to eliminate duplicates Z: 9 6.573 1.808 0.306 0.533 0.875 0.750 CA 1.089 9 residues pruned to eliminate duplicates Z: 6 2.283 1.335 0.061 0.364 0.800 0.600 CB 1.042 Z: 43 48.699 2.199 0.929 0.699 0.952 0.810 CA 1.551 43 residues pruned to eliminate duplicates Z: 26 30.231 2.036 0.672 0.894 0.960 0.640 CB 1.326 26 residues pruned to eliminate duplicates Z: 26 40.021 2.200 0.741 0.902 1.000 0.920 CA 1.491 26 residues pruned to eliminate duplicates Z: 20 35.381 2.232 0.707 0.931 0.947 0.632 CB 1.572 20 residues pruned to eliminate duplicates Z: 13 18.090 1.866 0.673 0.878 1.000 0.667 CA 1.214 13 residues pruned to eliminate duplicates Z: 11 16.669 1.899 0.775 0.884 1.000 0.700 CB 1.130 11 residues pruned to eliminate duplicates Z: 6 5.357 1.447 0.396 0.621 1.000 0.600 C 1.058 Z: 87 48.317 2.007 0.764 0.672 0.953 0.628 CB 1.317 84 residues pruned to eliminate duplicates Z: 10 18.663 1.952 0.657 0.867 1.000 0.556 CA 1.408 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 24 35.511 2.089 0.881 0.843 0.957 0.652 CB 1.467 23 residues pruned to eliminate duplicates Z: 22 29.984 2.072 0.694 0.853 0.952 0.619 CB 1.446 22 residues pruned to eliminate duplicates Z: 20 26.587 2.051 0.630 0.898 0.895 0.526 CA 1.458 21 residues pruned to eliminate duplicates Z: 20 33.095 2.184 0.638 0.901 0.947 0.632 CA 1.599 20 residues pruned to eliminate duplicates Z: 23 37.730 2.134 0.984 0.827 0.909 0.545 CA 1.575 23 residues pruned to eliminate duplicates Z: 23 32.675 2.086 0.848 0.830 0.909 0.455 CA 1.494 23 residues pruned to eliminate duplicates Z: 23 41.095 2.138 1.008 0.865 1.000 0.409 CB 1.495 23 residues pruned to eliminate duplicates Z: 21 47.523 2.235 1.228 0.877 0.950 0.450 CB 1.631 22 residues pruned to eliminate duplicates Z: 21 41.041 2.110 1.020 0.934 1.000 0.450 CB 1.502 21 residues pruned to eliminate duplicates Z: 23 36.492 2.100 0.962 0.876 0.909 0.500 CB 1.510 23 residues pruned to eliminate duplicates Z: 23 42.764 2.126 1.262 0.851 0.955 0.500 CB 1.469 23 residues pruned to eliminate duplicates Z: 21 46.675 2.193 1.316 0.886 0.950 0.400 CB 1.561 21 residues pruned to eliminate duplicates Z: 20 47.936 2.233 1.300 0.916 0.947 0.474 CB 1.596 20 residues pruned to eliminate duplicates Z: 23 42.701 2.112 1.356 0.836 0.909 0.318 CB 1.505 23 residues pruned to eliminate duplicates Z: 20 30.518 2.113 1.120 0.715 0.842 0.421 CA 1.527 20 residues pruned to eliminate duplicates Z: 21 44.981 2.185 1.234 0.881 0.950 0.400 CB 1.571 21 residues pruned to eliminate duplicates Z: 23 34.611 2.054 1.152 0.845 0.909 0.318 CB 1.365 23 residues pruned to eliminate duplicates Z: 23 38.686 2.091 1.250 0.844 0.909 0.409 CB 1.435 23 residues pruned to eliminate duplicates Z: 21 26.623 2.037 0.912 0.641 0.900 0.400 CB 1.488 21 residues pruned to eliminate duplicates Z: 23 39.092 2.132 1.211 0.835 0.909 0.455 CB 1.456 23 residues pruned to eliminate duplicates Z: 19 21.922 1.923 0.606 0.585 1.000 0.444 CB 1.542 18 residues pruned to eliminate duplicates Z: 14 25.774 1.997 0.761 0.857 1.000 0.769 CB 1.498 14 residues pruned to eliminate duplicates Z: 18 20.284 1.910 0.560 0.615 0.941 0.588 CB 1.573 18 residues pruned to eliminate duplicates Z: 18 20.412 1.908 0.555 0.617 0.941 0.647 CB 1.587 18 residues pruned to eliminate duplicates Z: 18 20.830 1.949 0.592 0.601 0.941 0.471 CB 1.571 18 residues pruned to eliminate duplicates Z: 18 20.178 1.909 0.637 0.663 0.941 0.412 CB 1.430 20 residues pruned to eliminate duplicates Z: 15 22.859 1.948 0.614 0.820 1.000 0.714 CB 1.472 15 residues pruned to eliminate duplicates Z: 19 20.018 1.898 0.608 0.599 1.000 0.333 CB 1.407 19 residues pruned to eliminate duplicates Z: 19 17.286 1.844 0.555 0.611 0.944 0.500 CB 1.355 19 residues pruned to eliminate duplicates Z: 20 19.218 1.849 0.684 0.556 0.895 0.579 CB 1.499 20 residues pruned to eliminate duplicates Z: 15 5.414 1.552 0.463 0.148 0.786 0.357 CB 1.252 4 residues pruned to eliminate duplicates Z: 14 20.158 2.033 0.473 0.868 0.923 0.692 CB 1.478 25 residues pruned to eliminate duplicates Z: 15 21.368 1.997 0.565 0.734 0.929 0.571 CA 1.595 14 residues pruned to eliminate duplicates Z: 18 18.268 1.760 0.760 0.652 0.882 0.588 CA 1.408 18 residues pruned to eliminate duplicates Z: 44 28.532 1.917 0.434 0.660 0.977 0.628 CB 1.396 44 residues pruned to eliminate duplicates Z: 20 21.005 1.870 0.541 0.639 1.000 0.368 CB 1.468 17 residues pruned to eliminate duplicates Z: 11 13.910 1.946 0.261 0.895 1.000 0.700 CB 1.285 11 residues pruned to eliminate duplicates Z: 11 12.417 1.828 0.131 0.857 1.000 0.800 CA 1.401 11 residues pruned to eliminate duplicates Z: 11 14.152 1.875 0.476 0.807 0.900 0.700 CA 1.374 11 residues pruned to eliminate duplicates Z: 11 16.084 1.957 0.675 0.825 0.900 0.600 CB 1.302 11 residues pruned to eliminate duplicates Z: 13 11.175 1.698 0.556 0.755 0.833 0.583 CB 1.167 13 residues pruned to eliminate duplicates Z: 12 12.409 1.793 0.383 0.756 0.909 0.636 CA 1.321 12 residues pruned to eliminate duplicates Z: 11 9.584 1.709 0.282 0.732 0.800 0.700 CB 1.403 11 residues pruned to eliminate duplicates Z: 12 11.994 1.888 0.385 0.758 0.818 0.636 CA 1.344 12 residues pruned to eliminate duplicates Z: 12 12.092 1.869 0.338 0.766 0.818 0.727 CA 1.408 12 residues pruned to eliminate duplicates Z: 39 18.800 1.763 0.508 0.613 0.895 0.579 CB 1.152 39 residues pruned to eliminate duplicates Z: 25 14.720 1.837 0.501 0.571 0.792 0.417 CB 1.285 25 residues pruned to eliminate duplicates Z: 45 18.882 1.766 0.492 0.600 0.886 0.523 CB 1.108 45 residues pruned to eliminate duplicates Z: 38 18.746 1.791 0.558 0.582 0.838 0.486 CB 1.219 39 residues pruned to eliminate duplicates Z: 6 4.970 1.683 0.412 0.292 1.000 0.400 CA 1.182 6 residues pruned to eliminate duplicates Z: 43 21.581 1.779 0.525 0.624 0.905 0.619 CB 1.207 44 residues pruned to eliminate duplicates Z: 16 12.834 1.784 0.475 0.741 0.867 0.467 CB 1.171 16 residues pruned to eliminate duplicates Z: 43 19.579 1.765 0.572 0.627 0.857 0.476 CB 1.127 43 residues pruned to eliminate duplicates Z: 25 16.620 1.816 0.584 0.567 0.833 0.500 CB 1.327 25 residues pruned to eliminate duplicates Z: 39 20.183 1.775 0.623 0.586 0.895 0.605 CB 1.169 38 residues pruned to eliminate duplicates Z: 13 18.930 1.939 0.548 0.902 0.917 0.833 CB 1.417 13 residues pruned to eliminate duplicates Z: 43 18.941 1.770 0.507 0.618 0.857 0.667 CB 1.143 43 residues pruned to eliminate duplicates Z: 24 16.871 1.877 0.440 0.576 0.913 0.565 CB 1.325 24 residues pruned to eliminate duplicates Z: 38 20.532 1.787 0.577 0.573 0.919 0.514 CB 1.216 38 residues pruned to eliminate duplicates Z: 32 15.386 1.746 0.489 0.728 0.871 0.645 CB 0.994 32 residues pruned to eliminate duplicates Z: 31 20.343 1.762 0.642 0.778 0.933 0.467 CB 1.076 31 residues pruned to eliminate duplicates Z: 13 20.282 1.922 0.942 0.870 0.917 0.667 CA 1.249 13 residues pruned to eliminate duplicates Z: 42 20.945 1.785 0.591 0.632 0.878 0.659 CB 1.159 42 residues pruned to eliminate duplicates Z: 41 22.456 1.804 0.568 0.636 0.900 0.550 CB 1.228 43 residues pruned to eliminate duplicates Z: 14 16.748 1.878 0.765 0.827 0.846 0.462 CA 1.249 14 residues pruned to eliminate duplicates Z: 41 20.727 1.765 0.619 0.652 0.900 0.625 CB 1.106 41 residues pruned to eliminate duplicates Z: 39 17.124 1.736 0.486 0.549 0.842 0.579 CB 1.219 39 residues pruned to eliminate duplicates Z: 42 21.015 1.781 0.577 0.613 0.902 0.488 CB 1.164 42 residues pruned to eliminate duplicates Z: 24 10.567 1.580 0.402 0.550 0.913 0.522 CB 1.038 24 residues pruned to eliminate duplicates Z: 37 14.178 1.728 0.371 0.501 0.889 0.528 CB 1.122 37 residues pruned to eliminate duplicates Z: 42 16.640 1.704 0.417 0.605 0.878 0.634 CB 1.108 42 residues pruned to eliminate duplicates Z: 15 11.379 1.655 0.478 0.764 1.000 0.786 CB 0.983 15 residues pruned to eliminate duplicates Z: 19 11.265 1.670 0.413 0.759 0.944 0.722 CB 0.947 19 residues pruned to eliminate duplicates Z: 41 15.711 1.743 0.397 0.550 0.925 0.550 CB 1.050 41 residues pruned to eliminate duplicates Z: 17 10.661 1.679 0.278 0.762 1.000 0.625 CB 0.985 17 residues pruned to eliminate duplicates Z: 18 11.246 1.654 0.438 0.706 0.941 0.588 CB 1.010 18 residues pruned to eliminate duplicates Z: 14 10.916 1.634 0.394 0.790 1.000 0.846 CB 1.031 14 residues pruned to eliminate duplicates Z: 19 10.673 1.674 0.408 0.667 0.889 0.722 CB 1.029 19 residues pruned to eliminate duplicates Z: 42 17.415 1.750 0.409 0.576 0.854 0.659 CB 1.201 42 residues pruned to eliminate duplicates Z: 19 11.749 1.668 0.414 0.688 0.944 0.778 CB 1.047 19 residues pruned to eliminate duplicates Z: 17 12.965 1.711 0.456 0.739 1.000 0.562 CB 1.049 17 residues pruned to eliminate duplicates Z: 12 9.630 1.608 0.441 0.778 0.909 0.727 CB 1.078 12 residues pruned to eliminate duplicates Z: 26 12.361 1.653 0.579 0.490 0.960 0.680 CB 0.996 26 residues pruned to eliminate duplicates Z: 6 11.774 2.027 0.519 0.618 1.000 0.800 CB 1.530 6 residues pruned to eliminate duplicates Z: 15 17.014 2.103 0.466 0.578 0.857 0.571 CA 1.596 15 residues pruned to eliminate duplicates Z: 14 23.312 2.149 0.598 0.597 1.000 0.692 CB 1.716 14 residues pruned to eliminate duplicates Z: 6 2.512 1.473 -0.090 0.412 0.800 0.600 CA 1.148 6 residues pruned to eliminate duplicates Z: 57 58.335 2.296 0.741 0.707 0.946 0.732 CA 1.706 57 residues pruned to eliminate duplicates Z: 6 7.355 1.964 0.125 0.401 1.000 0.600 CA 1.653 6 residues pruned to eliminate duplicates Z: 9 7.927 2.000 0.371 0.474 0.750 0.375 CA 1.400 9 residues pruned to eliminate duplicates Z: 36 26.463 2.021 0.737 0.522 0.857 0.686 CB 1.455 36 residues pruned to eliminate duplicates Z: 6 9.683 2.217 0.048 0.603 1.000 0.800 CB 1.691 6 residues pruned to eliminate duplicates Z: 38 38.888 2.183 0.833 0.613 0.919 0.730 CB 1.562 38 residues pruned to eliminate duplicates Z: 56 52.771 2.237 0.901 0.604 0.909 0.636 CB 1.666 56 residues pruned to eliminate duplicates Z: 34 39.760 2.201 0.691 0.692 1.000 0.758 CA 1.560 34 residues pruned to eliminate duplicates Z: 46 51.983 2.227 0.806 0.725 0.978 0.778 CA 1.608 46 residues pruned to eliminate duplicates Z: 47 62.288 2.268 0.965 0.705 1.000 0.674 CB 1.711 47 residues pruned to eliminate duplicates Z: 45 54.817 2.263 0.935 0.731 0.932 0.773 CB 1.646 45 residues pruned to eliminate duplicates Z: 31 27.551 2.131 0.639 0.585 0.900 0.633 CB 1.475 31 residues pruned to eliminate duplicates Z: 46 55.437 2.244 0.875 0.727 0.978 0.733 CB 1.636 46 residues pruned to eliminate duplicates Z: 47 46.493 2.229 0.781 0.693 0.891 0.717 CA 1.623 47 residues pruned to eliminate duplicates Z: 46 52.400 2.257 0.833 0.714 0.933 0.711 CA 1.666 46 residues pruned to eliminate duplicates Z: 49 51.228 2.212 0.939 0.700 0.896 0.688 CA 1.603 49 residues pruned to eliminate duplicates Z: 46 54.392 2.274 0.856 0.716 0.956 0.756 CA 1.653 46 residues pruned to eliminate duplicates Z: 45 49.521 2.275 0.757 0.717 0.977 0.773 CA 1.570 45 residues pruned to eliminate duplicates Z: 45 47.774 2.282 0.629 0.720 0.932 0.705 CA 1.704 45 residues pruned to eliminate duplicates Z: 26 33.105 2.170 0.758 0.640 1.000 0.680 CB 1.522 26 residues pruned to eliminate duplicates Z: 45 50.603 2.256 0.803 0.714 0.932 0.682 CA 1.658 45 residues pruned to eliminate duplicates Z: 45 56.312 2.295 0.877 0.722 0.955 0.750 CA 1.689 45 residues pruned to eliminate duplicates Z: 45 58.154 2.309 0.858 0.729 0.977 0.705 CB 1.701 45 residues pruned to eliminate duplicates Z: 46 59.928 2.275 0.987 0.717 0.978 0.667 CA 1.660 46 residues pruned to eliminate duplicates Z: 45 61.057 2.307 0.961 0.725 0.977 0.705 CA 1.700 45 residues pruned to eliminate duplicates Z: 58 54.111 2.243 0.755 0.669 0.930 0.684 CB 1.674 58 residues pruned to eliminate duplicates Z: 53 63.020 2.209 1.043 0.683 0.962 0.635 CB 1.702 53 residues pruned to eliminate duplicates Z: 43 44.962 2.231 1.014 0.620 0.881 0.524 CB 1.564 43 residues pruned to eliminate duplicates Z: 45 60.959 2.306 1.002 0.728 0.955 0.682 CB 1.697 45 residues pruned to eliminate duplicates Z: 46 51.363 2.220 0.944 0.719 0.889 0.556 CB 1.637 46 residues pruned to eliminate duplicates Z: 33 43.740 2.260 0.928 0.696 0.875 0.500 CB 1.695 33 residues pruned to eliminate duplicates Z: 46 55.597 2.277 0.912 0.708 0.933 0.489 CB 1.688 46 residues pruned to eliminate duplicates Z: 45 59.165 2.292 1.084 0.720 0.932 0.545 CA 1.643 45 residues pruned to eliminate duplicates Z: 59 60.353 2.234 1.012 0.689 0.914 0.534 CB 1.622 59 residues pruned to eliminate duplicates Z: 46 59.780 2.250 1.070 0.713 0.956 0.533 CB 1.651 46 residues pruned to eliminate duplicates Z: 27 59.429 2.356 1.262 0.856 0.962 0.538 CB 1.677 27 residues pruned to eliminate duplicates Z: 45 61.393 2.288 1.111 0.735 0.909 0.500 CB 1.707 45 residues pruned to eliminate duplicates Z: 45 60.017 2.289 1.122 0.754 0.886 0.523 CB 1.676 45 residues pruned to eliminate duplicates Z: 58 62.273 2.247 1.053 0.695 0.912 0.526 CB 1.640 58 residues pruned to eliminate duplicates Z: 46 60.756 2.265 1.171 0.697 0.911 0.444 CB 1.688 46 residues pruned to eliminate duplicates Z: 47 63.061 2.247 1.164 0.718 0.957 0.565 CB 1.641 47 residues pruned to eliminate duplicates Z: 46 57.906 2.225 1.184 0.691 0.911 0.467 CB 1.637 46 residues pruned to eliminate duplicates Z: 46 56.779 2.307 1.078 0.707 0.867 0.444 CA 1.688 46 residues pruned to eliminate duplicates Z: 45 58.511 2.292 1.094 0.716 0.886 0.477 CB 1.705 45 residues pruned to eliminate duplicates Z: 59 60.862 2.240 1.037 0.657 0.931 0.517 CB 1.625 59 residues pruned to eliminate duplicates Z: 45 62.178 2.283 1.154 0.728 0.932 0.545 CB 1.666 45 residues pruned to eliminate duplicates Z: 58 65.024 2.265 1.039 0.704 0.930 0.579 CB 1.665 58 residues pruned to eliminate duplicates Z: 45 64.506 2.302 1.196 0.727 0.932 0.568 CB 1.683 45 residues pruned to eliminate duplicates Z: 45 67.274 2.288 1.212 0.747 0.955 0.477 CB 1.683 45 residues pruned to eliminate duplicates Z: 36 23.476 1.995 0.198 0.750 0.971 0.800 CB 1.368 36 residues pruned to eliminate duplicates Z: 35 20.575 1.980 0.158 0.753 1.000 0.794 CB 1.228 35 residues pruned to eliminate duplicates Z: 33 23.272 2.035 0.310 0.754 0.938 0.844 CB 1.313 33 residues pruned to eliminate duplicates Z: 40 20.746 1.970 0.299 0.636 0.872 0.667 CB 1.311 40 residues pruned to eliminate duplicates Z: 30 26.786 1.953 0.519 0.811 0.966 0.690 CB 1.325 30 residues pruned to eliminate duplicates Z: 36 25.365 1.981 0.261 0.735 1.000 0.686 CB 1.389 36 residues pruned to eliminate duplicates Z: 36 23.684 1.980 0.229 0.738 0.971 0.771 CB 1.368 36 residues pruned to eliminate duplicates Z: 25 23.346 2.044 0.212 0.930 1.000 0.917 CB 1.346 25 residues pruned to eliminate duplicates Z: 40 23.572 1.956 0.522 0.649 0.897 0.615 CB 1.229 40 residues pruned to eliminate duplicates Z: 28 24.073 2.049 0.365 0.830 0.963 0.778 CB 1.293 28 residues pruned to eliminate duplicates Z: 34 26.010 2.033 0.414 0.774 0.970 0.758 CB 1.274 34 residues pruned to eliminate duplicates Z: 62 37.602 2.029 0.637 0.614 0.918 0.590 CB 1.418 62 residues pruned to eliminate duplicates Z: 106 47.992 1.991 0.727 0.669 0.933 0.648 CB 1.248 106 residues pruned to eliminate duplicates Z: 37 25.963 1.973 0.418 0.735 0.944 0.806 CB 1.326 37 residues pruned to eliminate duplicates Z: 31 28.136 1.984 0.533 0.862 0.967 0.800 CB 1.282 31 residues pruned to eliminate duplicates Z: 29 26.582 2.015 0.567 0.834 0.893 0.750 CB 1.336 29 residues pruned to eliminate duplicates Z: 37 27.869 1.981 0.555 0.732 0.944 0.694 CB 1.295 37 residues pruned to eliminate duplicates Z: 35 24.725 2.058 0.671 0.694 0.853 0.647 CB 1.211 35 residues pruned to eliminate duplicates Z: 98 41.411 1.952 0.797 0.618 0.866 0.649 CB 1.238 98 residues pruned to eliminate duplicates Z: 38 25.104 1.907 0.586 0.711 0.919 0.568 CB 1.226 38 residues pruned to eliminate duplicates Z: 38 26.008 1.937 0.686 0.742 0.892 0.676 CB 1.182 38 residues pruned to eliminate duplicates Z: 39 27.041 1.987 0.568 0.719 0.947 0.684 CB 1.219 39 residues pruned to eliminate duplicates Z: 37 28.103 1.995 0.580 0.744 0.944 0.639 CB 1.264 37 residues pruned to eliminate duplicates Z: 26 27.234 2.002 0.690 0.876 0.920 0.520 CB 1.272 26 residues pruned to eliminate duplicates Z: 34 30.775 2.044 0.569 0.754 0.970 0.727 CB 1.373 34 residues pruned to eliminate duplicates Z: 45 26.974 1.937 0.573 0.630 0.932 0.614 CB 1.267 44 residues pruned to eliminate duplicates Z: 27 33.990 2.032 0.814 0.917 0.962 0.846 CB 1.327 27 residues pruned to eliminate duplicates Z: 33 28.770 2.033 0.664 0.747 0.938 0.594 CB 1.286 33 residues pruned to eliminate duplicates Z: 36 29.664 1.977 0.616 0.749 0.971 0.543 CB 1.294 36 residues pruned to eliminate duplicates Z: 40 25.935 1.952 0.734 0.630 0.923 0.436 CB 1.176 40 residues pruned to eliminate duplicates Z: 33 29.105 2.045 0.819 0.728 0.938 0.656 CB 1.201 33 residues pruned to eliminate duplicates Z: 107 49.568 1.973 0.825 0.654 0.896 0.547 CB 1.292 107 residues pruned to eliminate duplicates Z: 34 25.337 2.035 0.693 0.716 0.879 0.455 CB 1.198 34 residues pruned to eliminate duplicates Z: 34 23.262 2.038 0.832 0.490 0.818 0.455 CB 1.339 34 residues pruned to eliminate duplicates Z: 10 6.141 1.872 0.645 0.326 0.889 0.556 CB 0.905 10 residues pruned to eliminate duplicates Z: 11 5.514 1.952 0.535 0.197 0.800 0.500 CB 1.044 11 residues pruned to eliminate duplicates Z: 59 39.248 2.057 0.936 0.633 0.862 0.483 CB 1.325 59 residues pruned to eliminate duplicates Z: 65 48.005 2.021 0.840 0.707 0.984 0.766 CB 1.358 65 residues pruned to eliminate duplicates Z: 11 5.328 1.891 0.500 0.091 0.900 0.200 CB 1.117 11 residues pruned to eliminate duplicates Z: 66 41.266 2.003 0.710 0.717 0.938 0.785 CB 1.308 66 residues pruned to eliminate duplicates Z: 27 27.879 2.056 0.837 0.547 0.923 0.577 CB 1.498 27 residues pruned to eliminate duplicates Z: 74 41.938 1.988 0.919 0.581 0.890 0.630 CB 1.337 74 residues pruned to eliminate duplicates Z: 64 47.337 2.046 0.802 0.717 0.968 0.651 CB 1.373 64 residues pruned to eliminate duplicates Z: 29 25.137 2.011 1.004 0.559 0.786 0.571 CB 1.417 29 residues pruned to eliminate duplicates Z: 25 26.542 2.048 0.938 0.591 0.833 0.625 CB 1.502 25 residues pruned to eliminate duplicates Z: 72 44.034 1.987 0.765 0.662 0.958 0.746 CB 1.339 72 residues pruned to eliminate duplicates Z: 28 26.956 1.989 0.895 0.577 0.926 0.481 CB 1.380 28 residues pruned to eliminate duplicates Z: 67 43.488 2.010 0.763 0.691 0.939 0.682 CB 1.351 67 residues pruned to eliminate duplicates Z: 109 50.986 1.963 0.714 0.679 0.954 0.713 CB 1.297 102 residues pruned to eliminate duplicates Z: 17 49.985 2.283 1.198 0.925 1.000 0.875 CA 1.748 17 residues pruned to eliminate duplicates Z: 25 32.114 2.118 0.986 0.599 0.958 0.583 CB 1.480 25 residues pruned to eliminate duplicates Z: 69 42.660 1.978 0.807 0.688 0.926 0.721 CB 1.315 69 residues pruned to eliminate duplicates Z: 61 39.454 2.051 0.698 0.649 0.950 0.533 CB 1.341 61 residues pruned to eliminate duplicates Z: 68 41.944 1.986 0.746 0.685 0.910 0.716 CB 1.370 68 residues pruned to eliminate duplicates Z: 67 43.293 1.965 0.800 0.701 0.939 0.712 CB 1.335 67 residues pruned to eliminate duplicates Z: 64 51.392 2.041 0.836 0.727 0.984 0.778 CB 1.430 70 residues pruned to eliminate duplicates Z: 18 39.833 2.170 1.045 0.925 1.000 0.941 CA 1.527 18 residues pruned to eliminate duplicates Z: 70 41.097 1.973 0.691 0.672 0.942 0.725 CB 1.343 70 residues pruned to eliminate duplicates Z: 64 42.860 2.026 0.687 0.718 0.968 0.825 CB 1.340 64 residues pruned to eliminate duplicates Z: 73 38.741 1.975 0.675 0.658 0.944 0.722 CB 1.262 73 residues pruned to eliminate duplicates Z: 66 43.178 2.007 0.728 0.696 0.969 0.754 CB 1.333 66 residues pruned to eliminate duplicates Z: 73 44.407 2.021 0.752 0.647 0.958 0.681 CB 1.345 73 residues pruned to eliminate duplicates Z: 65 45.254 2.028 0.735 0.714 0.969 0.750 CB 1.367 65 residues pruned to eliminate duplicates Z: 77 43.811 1.994 0.792 0.626 0.961 0.711 CB 1.301 77 residues pruned to eliminate duplicates Z: 77 39.227 1.982 0.641 0.621 0.947 0.763 CB 1.303 77 residues pruned to eliminate duplicates Z: 65 43.373 2.022 0.670 0.720 0.953 0.812 CB 1.381 65 residues pruned to eliminate duplicates Z: 64 50.293 2.066 0.747 0.733 1.000 0.794 CB 1.424 65 residues pruned to eliminate duplicates Z: 11 14.752 1.988 0.232 0.927 1.000 0.800 CB 1.335 11 residues pruned to eliminate duplicates Z: 96 50.431 2.034 0.738 0.706 0.926 0.642 CB 1.311 96 residues pruned to eliminate duplicates Z: 71 42.826 1.999 0.669 0.668 0.957 0.757 CB 1.372 64 residues pruned to eliminate duplicates Z: 26 34.412 2.045 0.837 0.815 1.000 0.840 CA 1.393 26 residues pruned to eliminate duplicates Z: 95 58.187 2.073 0.786 0.724 0.979 0.723 CB 1.353 102 residues pruned to eliminate duplicates Z: 15 28.073 2.033 1.097 0.890 0.929 0.714 CA 1.364 15 residues pruned to eliminate duplicates Z: 109 49.501 1.990 0.724 0.673 0.935 0.648 CB 1.265 109 residues pruned to eliminate duplicates Z: 64 47.109 2.005 0.765 0.724 1.000 0.746 CB 1.370 64 residues pruned to eliminate duplicates Z: 65 43.485 2.018 0.719 0.710 0.953 0.766 CB 1.358 65 residues pruned to eliminate duplicates Z: 70 44.802 2.008 0.770 0.670 0.942 0.681 CB 1.377 70 residues pruned to eliminate duplicates Z: 73 42.917 1.979 0.715 0.654 0.958 0.639 CB 1.347 65 residues pruned to eliminate duplicates Z: 15 34.044 2.089 1.194 0.885 1.000 0.643 CA 1.433 15 residues pruned to eliminate duplicates Z: 101 56.959 2.032 0.796 0.719 0.950 0.640 CB 1.348 108 residues pruned to eliminate duplicates Z: 16 26.079 1.990 1.089 0.890 0.933 0.867 CA 1.248 16 residues pruned to eliminate duplicates Z: 61 45.488 2.066 0.751 0.685 0.983 0.750 CB 1.393 61 residues pruned to eliminate duplicates Z: 64 42.985 2.022 0.741 0.713 0.937 0.746 CB 1.354 64 residues pruned to eliminate duplicates Z: 71 47.411 1.999 0.839 0.675 0.957 0.714 CB 1.371 65 residues pruned to eliminate duplicates Z: 15 17.460 1.793 0.694 0.858 0.929 0.714 CB 1.218 22 residues pruned to eliminate duplicates Z: 15 18.148 1.795 0.732 0.866 0.929 0.857 CB 1.230 15 residues pruned to eliminate duplicates Z: 15 16.447 1.803 0.636 0.866 0.929 0.786 CB 1.174 15 residues pruned to eliminate duplicates Z: 71 46.347 2.009 0.878 0.658 0.929 0.657 CB 1.366 71 residues pruned to eliminate duplicates Z: 69 42.899 1.995 0.760 0.681 0.956 0.691 CB 1.312 69 residues pruned to eliminate duplicates Z: 65 49.032 2.018 0.853 0.713 1.000 0.750 CB 1.352 65 residues pruned to eliminate duplicates Z: 69 44.674 1.985 0.827 0.705 0.941 0.735 CB 1.316 69 residues pruned to eliminate duplicates Z: 68 48.775 1.999 0.877 0.701 0.985 0.642 CB 1.343 68 residues pruned to eliminate duplicates Z: 74 45.722 1.988 0.880 0.663 0.932 0.630 CB 1.322 74 residues pruned to eliminate duplicates Z: 72 45.136 1.990 0.830 0.689 0.915 0.634 CB 1.351 72 residues pruned to eliminate duplicates Z: 72 49.032 1.985 0.920 0.663 0.944 0.704 CB 1.391 72 residues pruned to eliminate duplicates Z: 66 45.072 2.015 0.744 0.711 0.969 0.738 CB 1.356 66 residues pruned to eliminate duplicates Z: 71 44.101 1.991 0.802 0.669 0.943 0.700 CB 1.333 71 residues pruned to eliminate duplicates Z: 71 45.552 1.991 0.822 0.674 0.957 0.700 CB 1.336 71 residues pruned to eliminate duplicates Z: 73 43.103 1.987 0.826 0.647 0.903 0.694 CB 1.352 73 residues pruned to eliminate duplicates Z: 73 40.366 1.962 0.723 0.640 0.958 0.708 CB 1.289 73 residues pruned to eliminate duplicates Z: 71 45.535 2.004 0.816 0.668 0.971 0.671 CB 1.317 71 residues pruned to eliminate duplicates Z: 67 44.847 2.002 0.897 0.688 0.924 0.727 CB 1.323 60 residues pruned to eliminate duplicates Z: 9 5.138 1.445 0.086 0.797 1.000 0.625 CB 0.892 9 residues pruned to eliminate duplicates Z: 76 39.027 1.945 0.717 0.635 0.947 0.547 CB 1.256 76 residues pruned to eliminate duplicates Z: 14 6.864 1.475 0.307 0.536 1.000 0.385 CB 0.953 9 residues pruned to eliminate duplicates Z: 10 10.585 1.610 0.353 0.910 1.000 0.778 CB 1.149 10 residues pruned to eliminate duplicates Z: 53 28.287 1.801 0.707 0.719 0.923 0.731 CB 1.134 53 residues pruned to eliminate duplicates Z: 11 10.206 1.638 0.425 0.808 1.000 0.800 CB 1.057 15 residues pruned to eliminate duplicates Z: 10 10.729 1.671 0.359 0.877 1.000 0.667 CB 1.144 10 residues pruned to eliminate duplicates Z: 29 28.937 2.126 0.322 0.834 1.000 0.929 CA 1.458 29 residues pruned to eliminate duplicates Z: 29 31.487 2.185 0.426 0.849 0.929 0.821 CA 1.525 29 residues pruned to eliminate duplicates Z: 33 20.558 2.060 0.482 0.575 0.812 0.594 CB 1.363 33 residues pruned to eliminate duplicates Z: 30 31.913 2.136 0.508 0.815 0.931 0.793 CA 1.503 47 residues pruned to eliminate duplicates Z: 35 31.775 2.137 0.447 0.723 0.971 0.706 CB 1.485 35 residues pruned to eliminate duplicates Z: 36 29.144 2.143 0.444 0.714 0.914 0.686 CB 1.434 36 residues pruned to eliminate duplicates Z: 27 39.947 2.204 0.665 0.876 1.000 0.846 CB 1.552 27 residues pruned to eliminate duplicates Z: 36 29.572 2.124 0.489 0.739 0.914 0.657 CB 1.395 36 residues pruned to eliminate duplicates Z: 37 31.746 2.137 0.636 0.691 0.917 0.694 CB 1.387 37 residues pruned to eliminate duplicates Z: 34 38.581 2.193 0.693 0.751 0.970 0.818 CB 1.491 34 residues pruned to eliminate duplicates Z: 21 29.310 2.166 0.552 0.810 0.950 0.750 CB 1.567 21 residues pruned to eliminate duplicates Z: 28 37.992 2.156 0.776 0.855 0.963 0.556 CB 1.464 28 residues pruned to eliminate duplicates Z: 33 36.046 2.187 0.631 0.730 0.969 0.625 CB 1.500 33 residues pruned to eliminate duplicates Z: 36 30.482 2.085 0.583 0.723 0.914 0.571 CB 1.396 36 residues pruned to eliminate duplicates Z: 38 31.929 2.085 0.677 0.675 0.865 0.432 CB 1.476 38 residues pruned to eliminate duplicates Z: 27 36.550 2.250 0.885 0.706 0.962 0.462 CB 1.457 27 residues pruned to eliminate duplicates Z: 36 33.937 2.093 0.862 0.741 0.886 0.543 CB 1.339 36 residues pruned to eliminate duplicates Z: 36 38.989 2.139 0.924 0.721 0.943 0.600 CB 1.391 36 residues pruned to eliminate duplicates Z: 26 31.595 2.179 0.865 0.617 0.960 0.560 CA 1.450 26 residues pruned to eliminate duplicates Z: 36 37.702 2.118 0.860 0.715 0.914 0.571 CB 1.456 36 residues pruned to eliminate duplicates Z: 100 72.549 2.188 0.883 0.712 0.970 0.697 CB 1.506 102 residues pruned to eliminate duplicates Z: 26 42.848 2.234 0.800 0.918 1.000 0.720 CB 1.503 26 residues pruned to eliminate duplicates Z: 35 40.467 2.127 0.785 0.768 1.000 0.588 CB 1.441 35 residues pruned to eliminate duplicates Z: 33 32.087 2.058 0.832 0.760 0.875 0.344 CB 1.365 33 residues pruned to eliminate duplicates Z: 35 39.487 2.122 0.942 0.741 0.941 0.559 CB 1.407 35 residues pruned to eliminate duplicates Z: 36 37.831 2.129 0.881 0.719 0.914 0.486 CB 1.433 36 residues pruned to eliminate duplicates Z: 35 37.489 2.150 0.890 0.732 0.912 0.588 CB 1.409 35 residues pruned to eliminate duplicates Z: 36 36.621 2.115 0.935 0.737 0.943 0.514 CB 1.297 36 residues pruned to eliminate duplicates Z: 36 37.564 2.152 0.884 0.716 0.943 0.600 CB 1.366 36 residues pruned to eliminate duplicates Z: 23 33.688 2.185 1.075 0.655 0.955 0.364 CB 1.437 23 residues pruned to eliminate duplicates Z: 105 74.048 2.182 0.928 0.688 0.933 0.644 CB 1.558 105 residues pruned to eliminate duplicates Z: 96 74.491 2.218 0.959 0.671 0.968 0.621 CB 1.551 96 residues pruned to eliminate duplicates Z: 101 75.330 2.195 0.913 0.715 0.970 0.700 CB 1.523 101 residues pruned to eliminate duplicates Z: 61 65.109 2.233 1.104 0.682 0.983 0.533 CB 1.540 61 residues pruned to eliminate duplicates Z: 67 60.899 2.206 0.909 0.713 0.955 0.727 CA 1.537 67 residues pruned to eliminate duplicates Z: 67 63.454 2.201 0.886 0.727 0.985 0.727 CA 1.557 67 residues pruned to eliminate duplicates Z: 71 59.442 2.196 0.844 0.681 0.957 0.771 CA 1.552 71 residues pruned to eliminate duplicates Z: 69 60.059 2.189 0.940 0.691 0.956 0.750 CA 1.506 69 residues pruned to eliminate duplicates Z: 31 31.234 2.196 0.985 0.547 0.833 0.433 CB 1.500 31 residues pruned to eliminate duplicates Z: 67 59.980 2.198 0.858 0.707 0.970 0.758 CA 1.545 67 residues pruned to eliminate duplicates Z: 66 57.143 2.171 0.856 0.691 0.969 0.677 CB 1.524 66 residues pruned to eliminate duplicates Z: 77 59.059 2.157 0.844 0.648 0.961 0.711 CB 1.545 77 residues pruned to eliminate duplicates Z: 25 34.616 2.297 0.895 0.614 0.875 0.375 CA 1.666 25 residues pruned to eliminate duplicates Z: 45 49.568 2.250 0.956 0.616 0.955 0.591 CB 1.594 45 residues pruned to eliminate duplicates Z: 70 54.855 2.139 0.827 0.676 0.957 0.652 CA 1.502 70 residues pruned to eliminate duplicates Z: 73 59.308 2.141 0.947 0.660 0.958 0.736 CA 1.508 73 residues pruned to eliminate duplicates Z: 70 64.038 2.206 0.945 0.689 0.971 0.710 CA 1.556 70 residues pruned to eliminate duplicates Z: 84 62.814 2.121 0.962 0.658 0.940 0.663 CB 1.523 94 residues pruned to eliminate duplicates Z: 71 57.588 2.163 0.833 0.673 0.971 0.700 CA 1.524 71 residues pruned to eliminate duplicates Z: 44 50.457 2.271 0.855 0.652 1.000 0.674 CA 1.585 44 residues pruned to eliminate duplicates Z: 67 60.071 2.191 0.880 0.712 0.955 0.697 CA 1.552 67 residues pruned to eliminate duplicates Z: 68 61.976 2.179 0.971 0.706 0.970 0.701 CA 1.507 68 residues pruned to eliminate duplicates Z: 104 67.892 2.151 0.861 0.696 0.951 0.699 CB 1.469 104 residues pruned to eliminate duplicates Z: 71 62.872 2.174 0.969 0.695 0.971 0.671 CB 1.513 71 residues pruned to eliminate duplicates Z: 71 60.394 2.158 0.905 0.671 0.971 0.643 CA 1.543 71 residues pruned to eliminate duplicates Z: 103 72.030 2.175 0.892 0.689 0.961 0.637 CB 1.517 103 residues pruned to eliminate duplicates Z: 72 59.531 2.166 0.956 0.671 0.944 0.690 CA 1.510 72 residues pruned to eliminate duplicates Z: 67 58.681 2.194 0.859 0.705 0.970 0.758 CA 1.515 67 residues pruned to eliminate duplicates Z: 66 60.659 2.197 0.879 0.712 0.985 0.738 CA 1.528 66 residues pruned to eliminate duplicates Z: 72 59.137 2.166 0.903 0.683 0.958 0.718 CA 1.503 72 residues pruned to eliminate duplicates Z: 67 61.477 2.202 0.912 0.694 0.970 0.758 CB 1.553 67 residues pruned to eliminate duplicates Z: 70 52.979 2.127 0.861 0.684 0.928 0.739 CA 1.467 70 residues pruned to eliminate duplicates Z: 67 58.540 2.193 0.816 0.723 0.985 0.833 CA 1.502 67 residues pruned to eliminate duplicates Z: 72 56.642 2.179 0.820 0.685 0.944 0.775 CA 1.516 72 residues pruned to eliminate duplicates Z: 66 62.722 2.218 0.919 0.719 1.000 0.785 CA 1.500 66 residues pruned to eliminate duplicates Z: 73 53.845 2.128 0.836 0.638 0.931 0.722 CA 1.533 73 residues pruned to eliminate duplicates Z: 71 56.617 2.162 0.835 0.676 0.957 0.671 CA 1.516 71 residues pruned to eliminate duplicates Z: 72 59.679 2.177 0.919 0.671 0.958 0.690 CA 1.511 72 residues pruned to eliminate duplicates Z: 70 56.406 2.184 0.848 0.689 0.913 0.725 CA 1.550 70 residues pruned to eliminate duplicates Z: 67 68.601 2.216 1.047 0.716 0.985 0.758 CA 1.555 67 residues pruned to eliminate duplicates Z: 73 54.386 2.129 0.854 0.655 0.944 0.653 CA 1.489 73 residues pruned to eliminate duplicates Z: 67 58.822 2.193 0.856 0.715 0.985 0.773 CA 1.487 67 residues pruned to eliminate duplicates Z: 66 62.492 2.216 0.913 0.718 1.000 0.815 CA 1.501 66 residues pruned to eliminate duplicates Z: 67 65.338 2.215 1.020 0.720 0.970 0.727 CA 1.520 67 residues pruned to eliminate duplicates Z: 105 67.250 2.163 0.852 0.679 0.952 0.644 CB 1.466 105 residues pruned to eliminate duplicates Z: 31 35.836 2.079 0.897 0.772 0.933 0.733 CA 1.397 31 residues pruned to eliminate duplicates Z: 73 53.949 2.159 0.858 0.659 0.931 0.625 CB 1.470 73 residues pruned to eliminate duplicates Z: 67 65.390 2.225 1.008 0.704 0.955 0.697 CA 1.567 67 residues pruned to eliminate duplicates Z: 71 60.203 2.175 0.943 0.676 0.943 0.686 CA 1.535 71 residues pruned to eliminate duplicates Z: 66 65.909 2.223 1.021 0.718 0.985 0.754 CA 1.517 66 residues pruned to eliminate duplicates Z: 72 59.535 2.164 0.932 0.674 0.958 0.662 CA 1.504 72 residues pruned to eliminate duplicates Z: 70 60.100 2.195 0.870 0.689 0.957 0.739 CB 1.550 70 residues pruned to eliminate duplicates Z: 70 60.891 2.193 0.994 0.679 0.928 0.725 CA 1.533 70 residues pruned to eliminate duplicates Z: 67 65.963 2.193 1.018 0.711 0.985 0.667 CA 1.538 67 residues pruned to eliminate duplicates Z: 67 68.881 2.208 1.032 0.724 1.000 0.742 CB 1.544 67 residues pruned to eliminate duplicates Z: 70 62.972 2.196 1.003 0.690 0.942 0.696 CB 1.537 70 residues pruned to eliminate duplicates Z: 66 67.036 2.214 1.073 0.717 0.954 0.708 CA 1.560 66 residues pruned to eliminate duplicates Z: 66 61.660 2.196 1.072 0.697 0.954 0.723 CA 1.471 66 residues pruned to eliminate duplicates Z: 81 59.775 2.210 0.908 0.656 0.913 0.613 CB 1.503 81 residues pruned to eliminate duplicates Z: 61 55.717 2.189 0.971 0.639 0.967 0.617 CB 1.514 61 residues pruned to eliminate duplicates Z: 6 3.242 1.394 0.817 0.306 0.800 0.400 CB 0.888 Z: 48 36.745 2.055 0.874 0.600 0.915 0.532 CB 1.383 48 residues pruned to eliminate duplicates Z: 6 8.427 1.856 0.810 0.356 1.000 0.800 CB 1.310 6 residues pruned to eliminate duplicates Z: 43 32.312 2.108 0.853 0.589 0.833 0.571 CB 1.406 43 residues pruned to eliminate duplicates Z: 41 34.091 2.114 0.920 0.585 0.900 0.500 CB 1.359 41 residues pruned to eliminate duplicates Z: 45 33.044 2.074 0.864 0.630 0.818 0.568 CB 1.393 45 residues pruned to eliminate duplicates Z: 49 32.834 2.011 0.756 0.629 0.896 0.521 CB 1.327 49 residues pruned to eliminate duplicates Z: 46 36.441 2.059 0.952 0.607 0.911 0.600 CB 1.340 46 residues pruned to eliminate duplicates Z: 40 34.581 2.129 0.930 0.602 0.897 0.487 CB 1.363 40 residues pruned to eliminate duplicates Z: 47 31.533 2.098 0.681 0.618 0.870 0.478 CB 1.356 43 residues pruned to eliminate duplicates Z: 21 23.384 1.987 0.968 0.731 0.850 0.600 CB 1.278 21 residues pruned to eliminate duplicates Z: 46 32.597 2.072 0.781 0.606 0.889 0.622 CB 1.338 46 residues pruned to eliminate duplicates Z: 46 35.388 2.068 0.925 0.605 0.867 0.556 CB 1.384 50 residues pruned to eliminate duplicates Z: 13 33.716 2.373 1.120 0.891 0.917 0.833 CB 1.517 13 residues pruned to eliminate duplicates Z: 45 32.359 2.058 0.864 0.637 0.841 0.568 CB 1.330 45 residues pruned to eliminate duplicates Z: 46 35.362 2.080 0.822 0.621 0.911 0.578 CB 1.361 46 residues pruned to eliminate duplicates Z: 46 32.845 2.064 0.723 0.616 0.911 0.689 CB 1.354 46 residues pruned to eliminate duplicates Z: 26 32.976 2.258 0.858 0.588 0.920 0.560 CB 1.571 26 residues pruned to eliminate duplicates Z: 44 33.460 2.053 0.882 0.613 0.930 0.465 CB 1.275 44 residues pruned to eliminate duplicates Z: 46 37.064 2.093 0.855 0.616 0.956 0.622 CB 1.335 46 residues pruned to eliminate duplicates Z: 43 26.182 1.996 0.725 0.541 0.929 0.619 CB 1.214 35 residues pruned to eliminate duplicates Z: 15 27.331 2.216 0.935 0.829 0.929 0.571 CB 1.380 15 residues pruned to eliminate duplicates Z: 44 32.294 2.111 0.787 0.627 0.860 0.581 CB 1.346 44 residues pruned to eliminate duplicates Z: 44 36.413 2.108 0.825 0.637 0.930 0.628 CB 1.366 44 residues pruned to eliminate duplicates Z: 43 40.264 2.146 0.943 0.650 0.952 0.500 CB 1.360 43 residues pruned to eliminate duplicates Z: 44 37.609 2.124 0.851 0.652 0.930 0.605 CB 1.360 44 residues pruned to eliminate duplicates Z: 46 37.247 2.097 0.818 0.616 0.956 0.511 CB 1.365 46 residues pruned to eliminate duplicates Z: 45 33.071 2.090 0.771 0.608 0.909 0.636 CB 1.337 45 residues pruned to eliminate duplicates Z: 17 14.429 1.871 0.633 0.701 0.938 0.562 CB 1.048 17 residues pruned to eliminate duplicates Z: 42 25.855 1.993 0.823 0.531 0.927 0.463 CB 1.164 42 residues pruned to eliminate duplicates Z: 43 32.279 2.059 0.699 0.604 0.929 0.524 CB 1.389 43 residues pruned to eliminate duplicates Z: 24 14.194 1.894 0.461 0.617 0.870 0.609 CB 1.101 24 residues pruned to eliminate duplicates Z: 40 33.640 2.087 0.767 0.616 0.923 0.538 CB 1.418 40 residues pruned to eliminate duplicates Z: 53 29.757 2.078 0.662 0.536 0.865 0.500 CB 1.332 53 residues pruned to eliminate duplicates Z: 15 17.043 1.845 0.840 0.658 1.000 0.571 CB 1.159 15 residues pruned to eliminate duplicates Z: 15 23.304 2.023 0.983 0.786 1.000 0.714 CB 1.207 15 residues pruned to eliminate duplicates Z: 25 15.602 1.769 0.848 0.584 0.833 0.500 CB 1.078 25 residues pruned to eliminate duplicates Z: 18 20.094 1.921 1.032 0.743 1.000 0.529 CB 1.004 18 residues pruned to eliminate duplicates Z: 27 25.379 2.056 0.728 0.671 0.923 0.615 CB 1.296 27 residues pruned to eliminate duplicates Z: 43 37.414 2.132 0.965 0.632 0.905 0.643 CB 1.345 43 residues pruned to eliminate duplicates Z: 22 18.041 1.795 0.822 0.639 0.905 0.619 CB 1.168 22 residues pruned to eliminate duplicates Z: 44 29.450 2.041 0.753 0.578 0.884 0.628 CB 1.317 44 residues pruned to eliminate duplicates Z: 7 3.158 1.826 -0.165 0.393 0.833 0.667 CB 1.137 7 residues pruned to eliminate duplicates Z: 10 6.900 1.886 0.303 0.272 0.889 0.667 CB 1.364 10 residues pruned to eliminate duplicates Z: 13 6.028 1.884 0.317 0.188 1.000 0.500 CB 1.019 13 residues pruned to eliminate duplicates Z: 32 18.081 1.926 0.498 0.554 0.903 0.419 CB 1.181 32 residues pruned to eliminate duplicates Z: 30 16.720 1.908 0.677 0.547 0.897 0.379 CB 1.034 30 residues pruned to eliminate duplicates Z: 10 4.884 2.079 0.277 0.157 0.778 0.222 CB 1.200 10 residues pruned to eliminate duplicates Z: 13 6.566 1.965 0.333 0.210 0.917 0.417 CB 1.112 13 residues pruned to eliminate duplicates Z: 6 2.160 1.610 0.418 0.127 0.600 0.200 C 1.125 6 residues pruned to eliminate duplicates Z: 14 4.625 1.816 0.201 0.176 0.923 0.462 CB 0.942 14 residues pruned to eliminate duplicates 389 residues left after pruning, divided into chains as follows: A: 21 B: 18 C: 48 D: 108 E: 8 F: 186 CC for partial structure against native data = 37.73 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.477, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.560, Connect. = 0.765 for dens.mod. cycle 2 = 0.300, Contrast = 0.660, Connect. = 0.791 for dens.mod. cycle 3 = 0.300, Contrast = 0.671, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.682, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.687, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.692, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.694, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.697, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.698, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3010 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 579 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 22.318 2.147 0.559 0.932 0.923 0.923 CA 1.398 B: 26 37.795 2.070 0.965 0.904 1.000 0.520 CB 1.324 C: 15 21.354 2.065 0.708 0.845 0.929 0.857 CA 1.296 14 residues pruned to eliminate duplicates D: 19 45.348 2.272 1.227 0.907 0.944 0.667 CA 1.590 E: 23 50.041 2.283 1.148 0.883 1.000 0.682 CB 1.574 F: 24 49.418 2.242 1.173 0.904 0.957 0.435 CB 1.575 23 residues pruned to eliminate duplicates G: 23 42.142 2.266 1.055 0.850 0.955 0.500 CB 1.497 23 residues pruned to eliminate duplicates H: 25 32.830 2.123 0.702 0.920 1.000 0.833 CB 1.306 25 residues pruned to eliminate duplicates I: 19 44.735 2.205 1.254 0.924 0.944 0.667 CA 1.578 20 residues pruned to eliminate duplicates J: 19 46.984 2.265 1.129 0.896 1.000 0.667 CA 1.645 18 residues pruned to eliminate duplicates K: 19 41.059 2.251 1.281 0.839 0.944 0.667 CA 1.491 20 residues pruned to eliminate duplicates L: 15 30.231 2.239 0.830 0.916 1.000 0.929 CA 1.393 M: 17 30.372 2.058 1.214 0.828 0.875 0.812 CA 1.435 17 residues pruned to eliminate duplicates N: 19 41.345 2.161 1.202 0.932 1.000 0.611 CA 1.430 18 residues pruned to eliminate duplicates O: 20 45.535 2.185 1.327 0.888 0.947 0.684 CA 1.562 20 residues pruned to eliminate duplicates P: 17 42.972 2.277 1.137 0.910 1.000 0.562 CB 1.566 17 residues pruned to eliminate duplicates Q: 15 44.117 2.407 1.142 0.916 0.929 0.786 CA 1.740 16 residues pruned to eliminate duplicates R: 20 51.094 2.174 1.374 0.898 1.000 0.579 CA 1.624 19 residues pruned to eliminate duplicates S: 13 19.710 1.952 0.406 0.893 1.000 0.833 CB 1.488 T: 17 30.841 2.142 0.999 0.857 0.812 0.562 CA 1.632 17 residues pruned to eliminate duplicates U: 14 29.544 2.277 1.040 0.894 0.846 0.692 CB 1.495 V: 14 32.961 2.198 0.979 0.903 1.000 0.692 CB 1.497 14 residues pruned to eliminate duplicates W: 15 31.931 2.138 0.988 0.854 1.000 0.786 CA 1.483 15 residues pruned to eliminate duplicates X: 13 19.853 1.994 0.376 0.900 1.000 0.917 CB 1.492 13 residues pruned to eliminate duplicates Y: 15 26.987 2.153 1.086 0.844 0.857 0.714 CB 1.394 15 residues pruned to eliminate duplicates Z: 14 29.880 2.202 1.016 0.855 1.000 0.846 CB 1.378 14 residues pruned to eliminate duplicates Z: 21 38.139 2.089 1.047 0.919 0.950 0.300 CB 1.479 Z: 26 33.669 2.083 0.695 0.923 0.960 0.800 CB 1.396 Z: 15 20.266 2.110 0.637 0.549 0.929 0.714 CB 1.610 Z: 14 26.029 2.277 0.632 0.873 0.923 0.846 CA 1.533 14 residues pruned to eliminate duplicates Z: 17 42.762 2.287 0.931 0.921 1.000 0.938 CA 1.704 Z: 25 45.249 2.209 0.999 0.910 1.000 0.792 CB 1.483 24 residues pruned to eliminate duplicates Z: 19 44.477 2.269 1.215 0.894 0.944 0.611 CA 1.585 19 residues pruned to eliminate duplicates Z: 18 42.188 2.144 1.134 0.877 1.000 0.706 CA 1.624 19 residues pruned to eliminate duplicates Z: 20 33.360 2.119 0.786 0.943 1.000 0.789 CA 1.401 20 residues pruned to eliminate duplicates Z: 24 40.164 2.248 1.054 0.928 0.826 0.435 CB 1.538 24 residues pruned to eliminate duplicates Z: 15 26.605 2.117 0.885 0.878 0.929 0.857 CA 1.393 15 residues pruned to eliminate duplicates Z: 18 45.200 2.346 1.184 0.878 0.941 0.588 CA 1.650 18 residues pruned to eliminate duplicates Z: 22 31.517 2.075 0.892 0.852 0.857 0.667 CA 1.512 22 residues pruned to eliminate duplicates Z: 19 40.368 2.255 1.286 0.864 0.889 0.722 CA 1.522 19 residues pruned to eliminate duplicates Z: 13 25.440 2.144 0.681 0.891 1.000 0.917 CA 1.465 13 residues pruned to eliminate duplicates Z: 43 48.925 2.099 0.874 0.815 1.000 0.738 CA 1.460 16 residues pruned to eliminate duplicates Z: 16 23.622 1.962 1.022 0.868 0.933 0.800 CA 1.204 16 residues pruned to eliminate duplicates Z: 14 32.210 2.132 1.006 0.905 1.000 0.769 CB 1.486 15 residues pruned to eliminate duplicates Z: 19 41.416 2.252 0.889 0.921 1.000 0.778 CA 1.615 20 residues pruned to eliminate duplicates Z: 17 34.014 2.191 1.032 0.907 0.938 0.750 CB 1.448 17 residues pruned to eliminate duplicates Z: 24 41.717 2.246 0.772 0.919 1.000 0.783 CB 1.540 24 residues pruned to eliminate duplicates Z: 16 17.790 1.920 0.628 0.855 0.933 0.800 CA 1.162 16 residues pruned to eliminate duplicates Z: 21 36.150 2.089 1.034 0.901 0.950 0.300 CB 1.430 21 residues pruned to eliminate duplicates Z: 15 20.520 2.071 0.619 0.571 0.929 0.786 CA 1.645 15 residues pruned to eliminate duplicates Z: 16 38.108 2.258 0.839 0.921 1.000 0.733 CA 1.667 16 residues pruned to eliminate duplicates Z: 24 41.831 2.256 0.705 0.922 1.000 0.957 CA 1.595 24 residues pruned to eliminate duplicates Z: 27 28.684 2.021 0.692 0.883 0.923 0.731 CB 1.289 26 residues pruned to eliminate duplicates Z: 17 41.055 2.260 0.872 0.923 1.000 0.938 CA 1.705 17 residues pruned to eliminate duplicates Z: 9 32.913 2.284 1.664 0.910 1.000 0.875 CB 1.356 9 residues pruned to eliminate duplicates Z: 24 45.721 2.283 1.061 0.906 0.957 0.609 CB 1.507 24 residues pruned to eliminate duplicates Z: 16 26.893 2.038 0.832 0.871 1.000 0.600 CA 1.357 16 residues pruned to eliminate duplicates Z: 12 21.572 2.079 1.097 0.827 0.909 0.818 CB 1.237 Z: 19 50.313 2.223 1.315 0.863 1.000 0.611 CB 1.691 19 residues pruned to eliminate duplicates Z: 17 33.373 2.261 0.551 0.940 1.000 0.938 CA 1.653 17 residues pruned to eliminate duplicates Z: 26 31.571 2.071 0.813 0.858 0.960 0.640 CB 1.290 26 residues pruned to eliminate duplicates Z: 18 40.287 2.186 0.970 0.941 1.000 0.882 CB 1.574 18 residues pruned to eliminate duplicates Z: 26 37.122 2.068 0.788 0.924 1.000 0.760 CB 1.410 27 residues pruned to eliminate duplicates Z: 19 36.286 2.141 0.954 0.888 1.000 0.944 CA 1.473 19 residues pruned to eliminate duplicates Z: 19 36.533 2.087 1.160 0.873 0.944 0.556 CB 1.473 19 residues pruned to eliminate duplicates Z: 23 39.087 2.018 1.000 0.931 1.000 0.409 CB 1.443 21 residues pruned to eliminate duplicates Z: 21 38.976 2.123 0.927 0.911 1.000 0.500 CB 1.510 23 residues pruned to eliminate duplicates Z: 24 40.844 2.263 0.704 0.939 1.000 0.913 CB 1.535 24 residues pruned to eliminate duplicates Z: 23 52.157 2.257 1.320 0.901 1.000 0.591 CB 1.516 22 residues pruned to eliminate duplicates Z: 14 21.118 2.086 0.512 0.603 1.000 0.846 CB 1.683 15 residues pruned to eliminate duplicates Z: 15 19.024 2.107 0.446 0.594 0.929 0.857 CA 1.644 15 residues pruned to eliminate duplicates Z: 108 64.075 2.143 0.895 0.638 0.925 0.579 CB 1.449 61 residues pruned to eliminate duplicates Z: 26 21.553 2.016 0.184 0.889 0.960 0.840 CB 1.354 26 residues pruned to eliminate duplicates Z: 24 53.022 2.262 1.359 0.908 0.957 0.609 CB 1.538 24 residues pruned to eliminate duplicates Z: 24 27.489 2.053 0.728 0.849 1.000 0.870 CB 1.197 24 residues pruned to eliminate duplicates Z: 26 31.445 2.065 0.758 0.893 0.960 0.680 CB 1.296 26 residues pruned to eliminate duplicates Z: 21 35.713 2.118 0.872 0.871 0.950 0.650 CA 1.546 21 residues pruned to eliminate duplicates Z: 12 18.542 1.865 0.644 0.784 1.000 0.727 CB 1.420 12 residues pruned to eliminate duplicates Z: 16 32.759 2.125 1.166 0.902 0.933 0.667 CA 1.405 16 residues pruned to eliminate duplicates Z: 19 31.156 2.098 0.745 0.874 1.000 0.778 CA 1.461 19 residues pruned to eliminate duplicates Z: 13 17.282 1.795 0.643 0.833 1.000 0.750 CB 1.270 12 residues pruned to eliminate duplicates Z: 21 39.797 2.118 1.111 0.902 0.950 0.350 CB 1.494 21 residues pruned to eliminate duplicates Z: 19 41.810 2.271 1.188 0.882 0.944 0.833 CA 1.520 19 residues pruned to eliminate duplicates Z: 13 13.398 1.809 0.249 0.866 0.917 0.917 CB 1.368 13 residues pruned to eliminate duplicates Z: 17 9.286 1.883 0.624 0.526 0.625 0.438 CB 1.183 17 residues pruned to eliminate duplicates Z: 14 38.479 2.286 1.071 0.927 1.000 0.692 CA 1.580 14 residues pruned to eliminate duplicates Z: 15 26.822 2.107 0.835 0.857 0.929 0.929 CA 1.471 15 residues pruned to eliminate duplicates Z: 26 37.306 2.062 0.904 0.924 1.000 0.760 CB 1.335 26 residues pruned to eliminate duplicates Z: 25 49.585 2.225 1.153 0.912 1.000 0.583 CB 1.496 25 residues pruned to eliminate duplicates Z: 13 28.055 2.290 0.917 0.875 0.917 0.583 CB 1.464 13 residues pruned to eliminate duplicates Z: 13 20.560 2.028 0.373 0.915 1.000 1.000 CB 1.506 14 residues pruned to eliminate duplicates Z: 26 31.873 2.063 0.665 0.903 1.000 0.640 CB 1.323 26 residues pruned to eliminate duplicates Z: 14 31.559 2.209 0.988 0.917 0.923 0.769 CA 1.524 14 residues pruned to eliminate duplicates Z: 13 16.536 1.822 0.534 0.793 0.917 0.833 CB 1.441 13 residues pruned to eliminate duplicates Z: 20 25.500 1.998 0.478 0.933 1.000 0.895 CA 1.382 20 residues pruned to eliminate duplicates Z: 14 11.685 1.821 0.727 0.715 0.846 0.769 CB 1.002 14 residues pruned to eliminate duplicates Z: 27 19.881 1.973 0.121 0.884 1.000 0.885 CB 1.274 26 residues pruned to eliminate duplicates Z: 26 31.133 2.090 0.588 0.901 0.960 0.800 CA 1.395 26 residues pruned to eliminate duplicates Z: 18 43.046 2.306 1.121 0.913 1.000 0.882 CA 1.511 18 residues pruned to eliminate duplicates Z: 14 25.314 1.990 0.928 0.857 1.000 0.846 CB 1.348 14 residues pruned to eliminate duplicates Z: 25 32.144 2.110 0.632 0.920 1.000 0.792 CB 1.341 25 residues pruned to eliminate duplicates Z: 18 34.717 2.138 0.928 0.883 0.941 0.882 CA 1.570 18 residues pruned to eliminate duplicates Z: 25 30.549 2.116 0.636 0.905 0.958 0.708 CB 1.338 25 residues pruned to eliminate duplicates Z: 25 33.159 2.091 0.728 0.924 0.958 0.792 CB 1.372 25 residues pruned to eliminate duplicates Z: 13 15.855 1.890 0.512 0.872 1.000 0.667 CA 1.168 13 residues pruned to eliminate duplicates Z: 25 45.866 2.235 0.921 0.921 1.000 0.708 CB 1.535 25 residues pruned to eliminate duplicates Z: 25 21.005 2.058 0.079 0.914 1.000 0.917 CA 1.365 25 residues pruned to eliminate duplicates Z: 21 37.503 2.104 0.828 0.930 1.000 0.800 CA 1.524 21 residues pruned to eliminate duplicates Z: 25 39.361 2.093 0.949 0.917 1.000 0.625 CB 1.390 26 residues pruned to eliminate duplicates Z: 17 33.805 2.169 0.867 0.902 0.938 0.875 CA 1.588 17 residues pruned to eliminate duplicates Z: 14 23.382 2.198 0.683 0.876 0.923 0.538 CB 1.380 14 residues pruned to eliminate duplicates Z: 14 35.753 2.211 1.088 0.861 1.000 0.769 CA 1.579 13 residues pruned to eliminate duplicates Z: 15 32.157 2.171 1.044 0.801 0.929 0.786 CA 1.603 15 residues pruned to eliminate duplicates Z: 25 46.291 2.226 0.925 0.902 1.000 0.875 CB 1.572 25 residues pruned to eliminate duplicates Z: 26 32.368 2.040 0.784 0.897 0.960 0.760 CB 1.327 26 residues pruned to eliminate duplicates Z: 21 44.006 2.120 1.260 0.890 0.950 0.700 CB 1.555 21 residues pruned to eliminate duplicates Z: 12 16.344 1.935 0.403 0.852 1.000 0.818 CB 1.342 12 residues pruned to eliminate duplicates Z: 25 25.257 2.089 0.426 0.906 0.917 0.667 CB 1.343 25 residues pruned to eliminate duplicates Z: 15 12.236 1.704 0.562 0.849 0.929 0.714 CA 0.981 Z: 21 15.071 1.943 0.400 0.427 0.900 0.500 CB 1.485 21 residues pruned to eliminate duplicates Z: 13 35.439 2.152 1.193 0.892 1.000 0.917 CB 1.557 13 residues pruned to eliminate duplicates Z: 14 39.812 2.276 1.296 0.930 1.000 0.692 CA 1.477 14 residues pruned to eliminate duplicates Z: 58 54.412 2.211 0.738 0.702 0.965 0.737 CB 1.617 56 residues pruned to eliminate duplicates Z: 19 30.659 2.139 0.934 0.854 0.889 0.889 CA 1.451 19 residues pruned to eliminate duplicates Z: 8 5.647 1.856 0.615 0.241 0.714 0.429 CA 1.345 8 residues pruned to eliminate duplicates Z: 26 26.338 2.017 0.514 0.889 0.960 0.840 CB 1.294 26 residues pruned to eliminate duplicates Z: 16 34.432 2.098 1.065 0.904 1.000 1.000 CA 1.461 16 residues pruned to eliminate duplicates Z: 24 49.293 2.253 1.213 0.924 0.913 0.478 CB 1.586 24 residues pruned to eliminate duplicates Z: 15 23.944 2.074 0.766 0.859 0.929 0.786 CB 1.385 15 residues pruned to eliminate duplicates Z: 25 33.956 2.085 0.982 0.931 0.958 0.667 CB 1.223 25 residues pruned to eliminate duplicates Z: 25 28.285 2.099 0.446 0.909 1.000 0.833 CB 1.350 25 residues pruned to eliminate duplicates Z: 25 32.542 2.104 0.666 0.933 1.000 0.667 CB 1.322 25 residues pruned to eliminate duplicates Z: 8 12.234 1.910 0.191 0.907 1.000 1.000 CB 1.444 8 residues pruned to eliminate duplicates Z: 53 62.655 2.296 0.956 0.691 1.000 0.673 CA 1.624 54 residues pruned to eliminate duplicates Z: 16 19.492 1.930 0.512 0.860 0.933 0.733 CB 1.359 16 residues pruned to eliminate duplicates Z: 14 18.602 1.935 0.850 0.767 0.923 0.615 CA 1.232 14 residues pruned to eliminate duplicates Z: 21 29.783 2.082 0.547 0.917 1.000 0.900 CB 1.459 21 residues pruned to eliminate duplicates Z: 14 21.489 2.117 0.631 0.633 0.923 0.769 CB 1.651 14 residues pruned to eliminate duplicates Z: 26 30.103 2.083 0.630 0.896 0.920 0.680 CB 1.380 26 residues pruned to eliminate duplicates Z: 24 26.719 2.080 0.594 0.935 1.000 0.783 CB 1.171 24 residues pruned to eliminate duplicates Z: 22 32.776 2.039 1.022 0.920 0.905 0.524 CB 1.351 22 residues pruned to eliminate duplicates Z: 15 27.661 2.147 1.028 0.917 1.000 0.857 CA 1.198 15 residues pruned to eliminate duplicates Z: 15 15.999 1.955 0.316 0.885 0.929 0.786 CB 1.291 15 residues pruned to eliminate duplicates Z: 25 37.190 2.077 0.895 0.921 0.958 0.583 CB 1.416 25 residues pruned to eliminate duplicates Z: 21 42.600 2.090 1.157 0.940 1.000 0.350 CB 1.468 21 residues pruned to eliminate duplicates Z: 25 36.333 2.115 0.778 0.924 1.000 0.708 CB 1.386 26 residues pruned to eliminate duplicates Z: 15 32.620 2.114 1.128 0.869 1.000 0.786 CA 1.416 15 residues pruned to eliminate duplicates Z: 20 51.442 2.182 1.314 0.940 1.000 0.263 CB 1.624 20 residues pruned to eliminate duplicates Z: 18 47.186 2.319 1.221 0.900 0.941 0.588 CB 1.686 18 residues pruned to eliminate duplicates Z: 25 32.199 2.108 0.746 0.921 0.958 0.792 CB 1.311 25 residues pruned to eliminate duplicates Z: 44 37.003 2.153 0.794 0.564 0.930 0.674 CB 1.477 40 residues pruned to eliminate duplicates Z: 14 23.166 2.070 0.831 0.841 0.769 0.462 CB 1.644 14 residues pruned to eliminate duplicates Z: 26 33.466 2.072 0.815 0.919 0.960 0.520 CB 1.307 26 residues pruned to eliminate duplicates Z: 21 29.506 2.109 0.457 0.910 1.000 0.800 CA 1.522 21 residues pruned to eliminate duplicates Z: 13 14.041 1.938 0.705 0.743 0.917 0.583 CB 1.076 13 residues pruned to eliminate duplicates Z: 18 41.813 2.306 1.131 0.915 0.941 0.824 CA 1.550 18 residues pruned to eliminate duplicates Z: 11 14.537 1.918 0.290 0.928 1.000 1.000 CA 1.301 11 residues pruned to eliminate duplicates Z: 13 16.197 1.946 0.807 0.782 0.917 0.833 CB 1.131 13 residues pruned to eliminate duplicates Z: 14 26.374 2.116 0.998 0.914 1.000 0.846 CB 1.224 14 residues pruned to eliminate duplicates Z: 26 26.265 2.029 0.302 0.922 1.000 0.920 CA 1.399 26 residues pruned to eliminate duplicates Z: 17 20.413 1.832 0.785 0.846 0.938 0.562 CB 1.237 17 residues pruned to eliminate duplicates Z: 9 14.331 2.035 0.283 0.895 1.000 0.875 CB 1.392 9 residues pruned to eliminate duplicates Z: 16 52.022 2.449 1.204 0.895 1.000 0.800 CA 1.785 16 residues pruned to eliminate duplicates Z: 14 33.399 2.366 0.834 0.914 1.000 0.538 CB 1.510 14 residues pruned to eliminate duplicates Z: 15 16.889 1.818 0.314 0.889 1.000 0.857 CA 1.360 15 residues pruned to eliminate duplicates Z: 14 30.299 2.217 1.091 0.916 0.923 0.692 CA 1.387 14 residues pruned to eliminate duplicates Z: 11 15.985 1.942 0.854 0.864 0.900 0.800 CA 1.143 11 residues pruned to eliminate duplicates Z: 11 9.650 1.852 0.439 0.712 0.900 0.600 CB 1.050 11 residues pruned to eliminate duplicates Z: 14 26.614 2.171 0.786 0.901 0.923 0.769 CA 1.472 14 residues pruned to eliminate duplicates Z: 16 32.499 2.138 1.213 0.872 0.933 0.800 CA 1.385 16 residues pruned to eliminate duplicates Z: 16 28.566 2.093 1.117 0.904 0.867 0.400 CA 1.368 16 residues pruned to eliminate duplicates Z: 14 26.647 2.184 0.748 0.863 0.923 0.923 CA 1.539 14 residues pruned to eliminate duplicates Z: 16 16.607 1.895 0.246 0.891 1.000 0.933 CA 1.305 16 residues pruned to eliminate duplicates Z: 17 24.711 1.836 0.898 0.886 0.938 0.750 CB 1.365 17 residues pruned to eliminate duplicates Z: 11 15.742 1.814 0.831 0.896 1.000 0.900 CA 1.074 11 residues pruned to eliminate duplicates Z: 15 23.896 1.999 0.596 0.886 1.000 0.929 CA 1.444 15 residues pruned to eliminate duplicates Z: 18 45.344 2.326 1.148 0.922 0.941 0.765 CA 1.644 18 residues pruned to eliminate duplicates Z: 16 17.959 1.961 0.553 0.829 0.933 0.733 CA 1.227 16 residues pruned to eliminate duplicates Z: 13 10.262 2.134 0.638 0.170 0.833 0.583 CA 1.519 13 residues pruned to eliminate duplicates Z: 17 45.999 2.254 1.104 0.948 1.000 1.000 CA 1.675 17 residues pruned to eliminate duplicates Z: 13 14.366 1.849 0.417 0.900 1.000 0.750 CA 1.131 15 residues pruned to eliminate duplicates Z: 16 15.124 1.743 0.638 0.865 0.933 0.800 CB 1.074 Z: 26 28.921 2.065 0.522 0.865 1.000 0.680 CB 1.348 26 residues pruned to eliminate duplicates Z: 14 28.418 2.015 1.297 0.865 1.000 0.385 CB 1.248 14 residues pruned to eliminate duplicates Z: 13 31.840 2.342 1.259 0.906 0.917 0.667 CB 1.348 13 residues pruned to eliminate duplicates Z: 11 12.195 1.744 0.494 0.893 1.000 0.700 CB 1.062 Z: 13 18.605 1.771 0.546 0.839 1.000 0.750 CA 1.465 13 residues pruned to eliminate duplicates Z: 9 4.416 1.621 0.030 0.547 0.875 0.625 CB 1.021 Z: 13 16.913 1.782 0.529 0.847 1.000 0.583 CB 1.330 13 residues pruned to eliminate duplicates Z: 18 34.835 2.129 1.006 0.848 0.941 0.824 CA 1.559 18 residues pruned to eliminate duplicates Z: 15 5.276 1.746 0.619 0.329 0.857 0.571 CB 0.702 15 residues pruned to eliminate duplicates Z: 13 17.210 2.065 0.299 0.887 0.917 0.583 CB 1.456 13 residues pruned to eliminate duplicates Z: 16 14.256 1.916 0.472 0.835 0.867 0.733 CB 1.128 16 residues pruned to eliminate duplicates Z: 15 26.539 2.132 1.204 0.881 0.786 0.357 CA 1.391 15 residues pruned to eliminate duplicates Z: 12 19.397 2.023 0.677 0.880 1.000 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 88 62.132 2.204 0.807 0.662 0.931 0.713 CA 1.546 87 residues pruned to eliminate duplicates Z: 6 10.636 1.990 0.350 0.776 1.000 1.000 CB 1.387 Z: 13 13.894 1.883 0.301 0.880 1.000 0.750 CA 1.186 13 residues pruned to eliminate duplicates Z: 15 40.713 2.205 1.367 0.931 1.000 0.571 CA 1.457 15 residues pruned to eliminate duplicates Z: 19 25.313 2.093 0.444 0.909 0.944 0.667 CB 1.483 19 residues pruned to eliminate duplicates Z: 13 15.336 1.735 0.485 0.773 1.000 0.833 CB 1.349 13 residues pruned to eliminate duplicates Z: 27 31.977 2.028 0.646 0.888 1.000 0.769 CB 1.353 27 residues pruned to eliminate duplicates Z: 15 18.123 1.892 0.276 0.910 1.000 1.000 CB 1.423 15 residues pruned to eliminate duplicates Z: 18 45.235 2.358 1.176 0.911 0.941 0.824 CA 1.611 18 residues pruned to eliminate duplicates Z: 16 8.943 1.879 0.569 0.240 0.800 0.533 CA 1.323 16 residues pruned to eliminate duplicates Z: 15 17.800 1.943 0.529 0.905 0.929 0.857 CB 1.227 15 residues pruned to eliminate duplicates Z: 16 24.541 1.949 0.743 0.900 0.933 0.867 CA 1.428 16 residues pruned to eliminate duplicates Z: 11 20.241 1.960 0.874 0.931 1.000 1.000 CA 1.218 11 residues pruned to eliminate duplicates Z: 14 17.441 1.763 0.631 0.896 1.000 0.769 CB 1.205 13 residues pruned to eliminate duplicates Z: 15 13.567 1.859 0.183 0.886 0.929 0.786 CB 1.281 15 residues pruned to eliminate duplicates Z: 27 33.645 2.034 0.734 0.906 1.000 0.538 CB 1.331 27 residues pruned to eliminate duplicates Z: 16 13.384 1.877 0.570 0.744 0.933 0.867 CB 1.010 16 residues pruned to eliminate duplicates Z: 26 27.749 1.985 0.886 0.837 0.960 0.680 CB 1.155 26 residues pruned to eliminate duplicates Z: 22 26.756 2.112 0.811 0.678 0.952 0.619 CB 1.361 22 residues pruned to eliminate duplicates Z: 25 38.008 2.218 0.632 0.924 1.000 0.875 CA 1.505 25 residues pruned to eliminate duplicates Z: 12 17.529 1.850 0.664 0.880 1.000 0.455 CB 1.244 12 residues pruned to eliminate duplicates Z: 27 37.454 2.161 0.774 0.851 0.962 0.769 CB 1.475 27 residues pruned to eliminate duplicates Z: 16 22.700 1.933 0.795 0.874 0.933 0.933 CB 1.317 16 residues pruned to eliminate duplicates Z: 8 8.759 1.915 0.155 0.686 1.000 0.571 CA 1.261 8 residues pruned to eliminate duplicates Z: 14 33.032 2.177 1.191 0.907 0.923 0.538 CA 1.478 14 residues pruned to eliminate duplicates Z: 67 57.818 2.177 0.803 0.719 0.970 0.697 CB 1.534 67 residues pruned to eliminate duplicates Z: 25 26.249 2.075 0.335 0.916 1.000 0.917 CB 1.366 25 residues pruned to eliminate duplicates Z: 24 21.971 2.020 0.455 0.824 0.913 0.739 CB 1.290 24 residues pruned to eliminate duplicates Z: 26 33.790 2.062 0.676 0.907 1.000 0.680 CB 1.390 26 residues pruned to eliminate duplicates Z: 15 27.999 1.965 1.006 0.905 0.929 0.714 CB 1.455 15 residues pruned to eliminate duplicates Z: 25 29.442 2.106 0.519 0.919 1.000 0.875 CB 1.324 25 residues pruned to eliminate duplicates Z: 16 15.597 1.761 0.717 0.880 0.933 0.800 CB 1.034 16 residues pruned to eliminate duplicates Z: 10 11.801 2.122 0.120 0.892 1.000 1.000 CB 1.189 10 residues pruned to eliminate duplicates Z: 7 3.915 1.385 0.421 0.525 1.000 0.667 N 0.793 Z: 13 13.873 1.824 0.449 0.886 0.917 0.583 CB 1.193 13 residues pruned to eliminate duplicates Z: 14 14.495 1.774 0.591 0.833 0.923 0.692 CA 1.158 15 residues pruned to eliminate duplicates Z: 42 16.493 1.744 0.399 0.617 0.854 0.561 CB 1.107 24 residues pruned to eliminate duplicates Z: 26 27.528 2.035 0.317 0.908 1.000 0.880 CA 1.458 26 residues pruned to eliminate duplicates Z: 8 4.959 1.620 0.546 0.331 0.714 0.429 CB 1.261 Z: 21 38.626 2.055 1.185 0.921 0.900 0.150 CB 1.505 21 residues pruned to eliminate duplicates Z: 13 35.349 2.287 1.187 0.927 0.917 0.750 CA 1.560 13 residues pruned to eliminate duplicates Z: 20 37.381 2.162 0.768 0.935 1.000 0.842 CA 1.564 20 residues pruned to eliminate duplicates Z: 17 40.628 2.330 1.164 0.904 0.938 0.812 CA 1.530 17 residues pruned to eliminate duplicates Z: 27 31.732 2.053 0.579 0.895 1.000 0.769 CB 1.377 27 residues pruned to eliminate duplicates 6 1.324 1.652 0.832 0.278 0.400 0.400 CB 0.629 ? Z: 16 20.869 1.944 1.071 0.817 0.867 0.467 CB 1.172 16 residues pruned to eliminate duplicates Z: 26 23.747 2.008 0.389 0.887 0.960 0.880 CB 1.279 26 residues pruned to eliminate duplicates Z: 22 21.612 2.041 0.810 0.651 0.857 0.524 CB 1.294 22 residues pruned to eliminate duplicates Z: 15 14.815 1.751 0.421 0.838 1.000 0.786 CA 1.190 16 residues pruned to eliminate duplicates Z: 29 29.367 2.097 0.791 0.747 0.857 0.571 CB 1.383 29 residues pruned to eliminate duplicates Z: 23 40.147 2.221 1.122 0.877 0.909 0.227 CB 1.452 23 residues pruned to eliminate duplicates 6 1.641 1.415 0.081 0.291 0.800 0.400 CB 0.758 ? Z: 12 23.127 2.003 0.860 0.893 1.000 0.455 CB 1.344 12 residues pruned to eliminate duplicates Z: 9 12.732 1.747 0.438 0.898 1.000 0.875 CA 1.282 Z: 13 21.122 2.088 0.558 0.894 0.917 0.583 CB 1.466 13 residues pruned to eliminate duplicates Z: 49 38.156 2.137 0.686 0.614 0.917 0.708 CB 1.497 49 residues pruned to eliminate duplicates Z: 19 44.397 2.218 1.002 0.945 1.000 0.500 CB 1.631 19 residues pruned to eliminate duplicates Z: 35 23.505 2.010 0.239 0.746 0.941 0.765 CB 1.380 35 residues pruned to eliminate duplicates Z: 26 27.211 2.059 0.303 0.925 1.000 0.960 CB 1.423 26 residues pruned to eliminate duplicates Z: 8 11.174 1.597 0.821 0.859 1.000 0.429 CB 1.069 8 residues pruned to eliminate duplicates Z: 17 15.261 2.036 0.144 0.832 0.938 0.875 CB 1.312 17 residues pruned to eliminate duplicates Z: 7 4.798 1.823 0.302 0.410 0.833 0.500 CA 1.089 7 residues pruned to eliminate duplicates Z: 9 9.129 1.616 0.169 0.900 1.000 0.875 CB 1.220 Z: 42 22.549 1.787 0.563 0.625 0.927 0.585 CB 1.209 42 residues pruned to eliminate duplicates Z: 15 9.288 1.710 0.400 0.765 0.929 0.643 CB 0.883 15 residues pruned to eliminate duplicates Z: 14 17.282 1.826 0.920 0.809 0.923 0.615 CB 1.131 14 residues pruned to eliminate duplicates Z: 10 10.081 1.719 0.566 0.917 1.000 0.667 CB 0.881 10 residues pruned to eliminate duplicates Z: 9 8.262 1.675 0.009 0.922 1.000 0.875 CB 1.215 9 residues pruned to eliminate duplicates Z: 9 10.274 1.698 0.363 0.867 0.875 0.875 CA 1.312 9 residues pruned to eliminate duplicates Z: 16 15.004 1.770 0.383 0.887 1.000 0.867 CB 1.141 16 residues pruned to eliminate duplicates Z: 26 25.337 1.975 0.417 0.869 0.960 0.720 CB 1.378 26 residues pruned to eliminate duplicates Z: 14 21.473 2.099 0.567 0.627 1.000 0.769 CB 1.606 14 residues pruned to eliminate duplicates Z: 17 18.469 1.744 0.700 0.849 0.938 0.562 CB 1.231 17 residues pruned to eliminate duplicates Z: 9 11.549 1.712 0.293 0.901 1.000 0.875 CB 1.317 9 residues pruned to eliminate duplicates Z: 11 7.514 1.697 0.047 0.847 0.900 0.800 CB 1.103 10 residues pruned to eliminate duplicates Z: 29 36.559 2.262 0.906 0.609 0.964 0.714 CA 1.498 29 residues pruned to eliminate duplicates Z: 11 10.047 1.794 0.601 0.737 0.900 0.600 CB 0.994 11 residues pruned to eliminate duplicates Z: 22 35.901 2.234 0.645 0.940 1.000 1.000 CA 1.480 22 residues pruned to eliminate duplicates Z: 27 31.925 2.026 0.798 0.919 0.962 0.731 CB 1.260 27 residues pruned to eliminate duplicates Z: 25 36.152 2.106 1.007 0.931 0.958 0.750 CB 1.273 25 residues pruned to eliminate duplicates Z: 25 44.585 2.212 0.947 0.899 1.000 0.958 CA 1.511 25 residues pruned to eliminate duplicates Z: 7 4.068 1.826 -0.032 0.432 0.833 0.833 CB 1.210 Z: 16 14.889 1.759 0.551 0.894 0.933 0.867 CB 1.083 16 residues pruned to eliminate duplicates Z: 10 12.839 1.756 0.318 0.929 1.000 0.889 CA 1.293 10 residues pruned to eliminate duplicates Z: 26 34.245 2.066 0.817 0.925 0.960 0.720 CB 1.333 26 residues pruned to eliminate duplicates Z: 63 49.675 2.119 0.837 0.668 0.952 0.661 CB 1.458 63 residues pruned to eliminate duplicates Z: 71 58.686 2.171 0.859 0.678 0.971 0.671 CB 1.518 71 residues pruned to eliminate duplicates Z: 12 18.894 1.968 0.559 0.839 1.000 1.000 CA 1.387 12 residues pruned to eliminate duplicates Z: 18 16.344 1.791 0.991 0.760 0.882 0.529 CB 1.000 18 residues pruned to eliminate duplicates Z: 11 11.106 1.739 0.466 0.840 1.000 0.500 CB 1.028 12 residues pruned to eliminate duplicates Z: 9 9.176 1.652 0.177 0.837 1.000 0.750 CB 1.248 9 residues pruned to eliminate duplicates Z: 25 37.512 2.118 0.937 0.923 1.000 0.542 CB 1.311 25 residues pruned to eliminate duplicates Z: 16 15.356 1.766 0.506 0.894 1.000 0.733 CB 1.069 16 residues pruned to eliminate duplicates Z: 28 27.819 1.976 0.653 0.865 0.926 0.704 CB 1.297 28 residues pruned to eliminate duplicates Z: 7 13.108 1.833 0.601 0.853 1.000 0.667 CA 1.348 7 residues pruned to eliminate duplicates Z: 13 11.360 1.568 0.454 0.776 1.000 0.750 CB 1.127 9 residues pruned to eliminate duplicates Z: 25 23.625 2.046 0.236 0.888 1.000 0.875 CB 1.375 25 residues pruned to eliminate duplicates Z: 9 10.489 2.004 0.422 0.765 0.750 0.250 CA 1.372 9 residues pruned to eliminate duplicates Z: 25 19.013 2.014 0.152 0.919 0.917 0.875 CB 1.286 25 residues pruned to eliminate duplicates Z: 16 17.928 2.086 0.427 0.702 0.933 0.800 CB 1.386 16 residues pruned to eliminate duplicates Z: 36 25.184 2.024 0.215 0.761 0.971 0.886 CB 1.414 38 residues pruned to eliminate duplicates Z: 16 20.754 1.874 0.650 0.916 1.000 1.000 CB 1.224 16 residues pruned to eliminate duplicates Z: 14 17.588 2.104 0.728 0.831 0.923 0.769 CA 1.092 14 residues pruned to eliminate duplicates Z: 7 2.221 1.438 0.279 0.347 0.667 0.333 N 0.873 Z: 7 9.062 1.744 0.145 0.899 1.000 0.667 CA 1.324 7 residues pruned to eliminate duplicates Z: 17 13.238 1.728 0.423 0.808 0.938 0.812 CB 1.098 17 residues pruned to eliminate duplicates Z: 14 12.981 1.748 0.292 0.911 0.923 0.692 CB 1.224 14 residues pruned to eliminate duplicates Z: 12 10.548 1.674 0.344 0.832 0.909 0.727 CB 1.168 12 residues pruned to eliminate duplicates Z: 16 15.394 1.735 0.596 0.847 0.933 0.800 CA 1.142 16 residues pruned to eliminate duplicates Z: 11 16.795 1.903 0.833 0.917 1.000 0.700 CB 1.075 11 residues pruned to eliminate duplicates Z: 25 27.325 2.060 0.564 0.900 0.958 0.583 CB 1.290 25 residues pruned to eliminate duplicates Z: 8 8.489 1.659 0.131 0.855 1.000 0.429 CB 1.261 8 residues pruned to eliminate duplicates Z: 13 18.460 1.867 0.823 0.888 0.917 0.500 CA 1.231 13 residues pruned to eliminate duplicates Z: 13 32.406 2.203 1.001 0.921 1.000 0.333 CA 1.494 13 residues pruned to eliminate duplicates Z: 13 11.819 1.871 0.312 0.855 0.917 0.667 CA 1.119 13 residues pruned to eliminate duplicates Z: 40 25.996 2.049 0.730 0.573 0.897 0.513 CB 1.219 40 residues pruned to eliminate duplicates Z: 43 47.784 2.240 0.992 0.603 0.952 0.714 CA 1.574 43 residues pruned to eliminate duplicates Z: 48 54.337 2.122 0.988 0.768 1.000 0.745 CA 1.481 48 residues pruned to eliminate duplicates Z: 26 27.601 2.026 0.587 0.901 0.960 0.720 CB 1.276 26 residues pruned to eliminate duplicates Z: 42 39.730 2.172 0.792 0.609 0.951 0.707 CB 1.510 42 residues pruned to eliminate duplicates Z: 30 28.843 2.194 0.656 0.589 0.931 0.690 CA 1.454 30 residues pruned to eliminate duplicates Z: 25 35.595 2.084 1.052 0.929 1.000 0.583 CB 1.189 25 residues pruned to eliminate duplicates Z: 10 13.953 1.737 0.516 0.911 1.000 0.889 CA 1.252 10 residues pruned to eliminate duplicates Z: 14 19.867 1.910 1.026 0.834 0.769 0.385 CA 1.387 14 residues pruned to eliminate duplicates Z: 42 16.115 1.743 0.391 0.584 0.854 0.610 CB 1.122 42 residues pruned to eliminate duplicates Z: 47 50.185 2.128 0.888 0.754 1.000 0.739 CA 1.469 47 residues pruned to eliminate duplicates Z: 14 14.291 1.846 0.355 0.917 1.000 0.692 CB 1.118 14 residues pruned to eliminate duplicates Z: 16 27.464 1.998 1.180 0.806 0.933 0.467 CA 1.336 16 residues pruned to eliminate duplicates Z: 13 17.159 1.989 0.336 0.900 1.000 1.000 CB 1.332 13 residues pruned to eliminate duplicates 9 1.870 1.409 0.546 0.183 0.500 0.500 N 0.889 ? Z: 49 49.684 2.084 0.806 0.780 0.979 0.833 CA 1.520 49 residues pruned to eliminate duplicates Z: 10 11.530 1.716 0.223 0.893 1.000 0.778 CA 1.314 10 residues pruned to eliminate duplicates Z: 8 10.199 1.741 0.193 0.901 1.000 1.000 CB 1.324 8 residues pruned to eliminate duplicates Z: 24 35.898 2.122 1.037 0.936 0.957 0.478 CB 1.261 24 residues pruned to eliminate duplicates Z: 7 5.359 1.843 0.457 0.262 1.000 0.500 CA 1.069 Z: 44 44.254 2.180 0.897 0.638 0.907 0.488 CB 1.581 44 residues pruned to eliminate duplicates Z: 16 27.341 2.081 0.823 0.838 0.933 0.733 CA 1.490 16 residues pruned to eliminate duplicates Z: 13 23.996 2.165 0.683 0.816 1.000 0.750 CB 1.445 13 residues pruned to eliminate duplicates Z: 11 3.600 1.468 0.354 0.257 0.700 0.500 CA 1.081 Z: 13 17.184 1.909 0.395 0.921 1.000 0.833 CA 1.311 13 residues pruned to eliminate duplicates Z: 14 18.027 2.041 1.057 0.844 0.846 0.308 CB 1.047 14 residues pruned to eliminate duplicates Z: 9 8.981 1.693 0.104 0.912 1.000 0.750 CB 1.202 9 residues pruned to eliminate duplicates Z: 6 3.585 1.378 0.076 0.599 0.800 0.600 CB 1.230 Z: 17 13.318 1.724 0.507 0.768 1.000 0.688 CB 1.011 17 residues pruned to eliminate duplicates Z: 8 3.356 1.589 0.648 0.219 0.857 0.571 CA 0.786 Z: 11 8.621 1.606 0.259 0.771 1.000 0.800 CA 1.060 11 residues pruned to eliminate duplicates Z: 13 8.922 1.893 0.562 0.389 0.750 0.750 CB 1.307 13 residues pruned to eliminate duplicates Z: 7 5.082 1.745 -0.005 0.761 0.833 0.500 CB 1.137 7 residues pruned to eliminate duplicates Z: 22 11.123 1.621 0.482 0.630 0.905 0.619 CB 0.988 22 residues pruned to eliminate duplicates Z: 20 10.472 1.641 0.386 0.621 0.947 0.632 CB 0.995 20 residues pruned to eliminate duplicates Z: 8 2.903 1.797 0.303 0.238 0.857 0.429 CB 0.741 8 residues pruned to eliminate duplicates Z: 37 25.515 1.955 0.400 0.746 0.917 0.722 CB 1.361 37 residues pruned to eliminate duplicates Z: 9 9.707 1.666 0.149 0.891 1.000 1.000 CB 1.289 9 residues pruned to eliminate duplicates Z: 17 15.814 2.063 0.428 0.388 1.000 0.438 CB 1.512 17 residues pruned to eliminate duplicates Z: 10 4.186 1.711 0.078 0.294 0.667 0.556 CA 1.429 10 residues pruned to eliminate duplicates Z: 9 8.523 1.966 0.427 0.403 1.000 0.625 CB 1.189 9 residues pruned to eliminate duplicates Z: 6 2.617 1.290 0.649 0.465 0.600 0.600 CB 0.950 Z: 12 10.731 1.931 0.455 0.404 0.909 0.727 CA 1.401 12 residues pruned to eliminate duplicates Z: 12 11.118 1.688 0.309 0.817 1.000 0.636 CB 1.152 12 residues pruned to eliminate duplicates Z: 7 6.250 1.902 0.598 0.643 0.667 0.500 CB 1.102 7 residues pruned to eliminate duplicates Z: 13 28.747 2.106 1.504 0.679 0.833 0.583 CA 1.602 13 residues pruned to eliminate duplicates Z: 11 9.747 1.561 0.361 0.738 1.000 0.700 CB 1.172 11 residues pruned to eliminate duplicates Z: 19 33.117 2.102 0.856 0.887 0.944 0.667 CA 1.527 19 residues pruned to eliminate duplicates Z: 11 9.894 1.625 0.518 0.793 1.000 0.400 CB 0.981 11 residues pruned to eliminate duplicates Z: 35 25.924 2.022 0.841 0.673 0.882 0.559 CB 1.153 35 residues pruned to eliminate duplicates Z: 16 19.354 1.926 0.929 0.782 0.800 0.667 CA 1.312 16 residues pruned to eliminate duplicates Z: 14 14.031 1.807 0.554 0.905 0.846 0.615 CB 1.165 14 residues pruned to eliminate duplicates Z: 19 21.363 1.997 0.224 0.924 1.000 0.889 CB 1.446 19 residues pruned to eliminate duplicates Z: 18 41.969 2.269 1.128 0.866 0.941 0.588 CA 1.639 18 residues pruned to eliminate duplicates Z: 26 27.556 2.004 0.550 0.887 0.960 0.760 CA 1.332 26 residues pruned to eliminate duplicates Z: 10 8.614 1.581 0.217 0.899 1.000 1.000 CB 1.067 10 residues pruned to eliminate duplicates Z: 24 26.428 2.105 0.471 0.909 0.957 0.739 CB 1.321 24 residues pruned to eliminate duplicates Z: 26 31.126 2.114 0.895 0.579 0.920 0.560 CB 1.565 26 residues pruned to eliminate duplicates Z: 11 9.375 1.786 0.164 0.858 1.000 0.700 CB 1.051 11 residues pruned to eliminate duplicates Z: 7 3.954 1.683 0.201 0.281 0.667 0.333 N 1.535 7 residues pruned to eliminate duplicates Z: 21 17.726 1.912 0.321 0.803 1.000 0.750 CB 1.205 15 residues pruned to eliminate duplicates Z: 13 9.160 2.017 0.293 0.315 1.000 0.500 CB 1.245 7 residues pruned to eliminate duplicates Z: 16 21.232 1.886 0.778 0.890 0.933 0.800 CA 1.260 16 residues pruned to eliminate duplicates Z: 14 14.526 1.851 0.463 0.904 0.923 0.769 CB 1.148 14 residues pruned to eliminate duplicates Z: 26 21.370 2.021 0.222 0.893 0.960 0.840 CA 1.294 26 residues pruned to eliminate duplicates Z: 7 3.255 1.795 0.405 0.313 0.667 0.500 CB 0.973 7 residues pruned to eliminate duplicates Z: 15 34.042 2.088 1.212 0.888 0.929 0.714 CA 1.527 15 residues pruned to eliminate duplicates Z: 82 49.275 1.980 0.848 0.723 0.889 0.580 CB 1.377 139 residues pruned to eliminate duplicates Z: 11 9.860 1.933 0.217 0.563 1.000 0.700 CA 1.246 11 residues pruned to eliminate duplicates Z: 38 32.038 2.073 0.890 0.636 0.838 0.622 CA 1.412 38 residues pruned to eliminate duplicates Z: 14 32.969 2.194 1.063 0.874 1.000 0.462 CA 1.470 14 residues pruned to eliminate duplicates Z: 51 39.284 2.104 0.684 0.653 0.920 0.740 CA 1.478 51 residues pruned to eliminate duplicates Z: 11 5.838 1.636 0.384 0.376 0.900 0.700 CB 1.034 11 residues pruned to eliminate duplicates Z: 19 11.619 1.660 0.635 0.632 0.944 0.444 CB 0.943 19 residues pruned to eliminate duplicates Z: 33 21.441 1.971 0.673 0.472 0.875 0.562 CB 1.353 33 residues pruned to eliminate duplicates Z: 14 12.525 1.802 0.498 0.877 0.846 0.615 CA 1.104 14 residues pruned to eliminate duplicates Z: 10 10.315 1.749 0.620 0.883 1.000 0.778 CB 0.877 10 residues pruned to eliminate duplicates Z: 9 4.836 1.467 0.047 0.480 0.875 0.750 CA 1.298 9 residues pruned to eliminate duplicates Z: 41 21.138 1.933 0.238 0.687 0.900 0.700 CB 1.307 Z: 24 34.272 2.236 0.487 0.924 0.957 0.826 CA 1.579 24 residues pruned to eliminate duplicates Z: 12 5.054 1.901 0.275 0.207 0.727 0.273 CA 1.222 12 residues pruned to eliminate duplicates Z: 48 34.555 2.075 0.616 0.577 0.957 0.723 CB 1.457 48 residues pruned to eliminate duplicates Z: 25 23.850 1.990 0.860 0.530 0.833 0.625 CA 1.533 25 residues pruned to eliminate duplicates Z: 25 27.616 2.089 0.526 0.891 0.958 0.750 CB 1.326 25 residues pruned to eliminate duplicates Z: 20 7.953 1.604 0.245 0.628 0.842 0.579 CB 0.963 20 residues pruned to eliminate duplicates Z: 9 2.917 1.458 0.047 0.215 0.875 0.500 CB 1.080 9 residues pruned to eliminate duplicates Z: 9 4.748 1.413 0.426 0.335 0.875 0.500 CB 1.139 Z: 10 13.492 1.659 0.677 0.888 1.000 0.667 CA 1.165 10 residues pruned to eliminate duplicates Z: 11 18.055 1.926 0.785 0.871 1.000 0.400 CB 1.211 11 residues pruned to eliminate duplicates Z: 20 17.691 1.925 0.227 0.887 0.947 0.895 CB 1.308 20 residues pruned to eliminate duplicates Z: 14 15.872 1.730 0.667 0.910 1.000 0.692 CA 1.083 14 residues pruned to eliminate duplicates Z: 9 10.537 1.633 0.356 0.899 1.000 0.875 CA 1.202 9 residues pruned to eliminate duplicates Z: 14 13.857 1.693 0.732 0.853 0.923 0.462 CB 1.049 14 residues pruned to eliminate duplicates Z: 12 14.688 1.863 0.604 0.768 0.909 0.818 CB 1.286 12 residues pruned to eliminate duplicates Z: 22 18.889 1.950 0.236 0.912 0.952 0.810 CB 1.272 22 residues pruned to eliminate duplicates Z: 27 31.280 2.018 0.913 0.914 0.923 0.385 CB 1.217 36 residues pruned to eliminate duplicates Z: 9 4.632 1.701 0.508 0.323 0.875 0.375 CB 0.886 9 residues pruned to eliminate duplicates Z: 20 29.525 2.192 0.408 0.927 1.000 0.947 CA 1.538 Z: 7 7.325 1.853 0.048 0.568 1.000 0.833 CA 1.442 5 residues pruned to eliminate duplicates Z: 9 5.972 1.621 0.173 0.828 1.000 0.750 CA 0.836 9 residues pruned to eliminate duplicates Z: 19 47.104 2.237 1.224 0.868 1.000 0.500 CA 1.631 19 residues pruned to eliminate duplicates Z: 13 8.711 2.030 0.286 0.336 0.917 0.500 CB 1.257 13 residues pruned to eliminate duplicates Z: 26 24.547 2.049 0.435 0.863 0.920 0.720 CB 1.332 26 residues pruned to eliminate duplicates Z: 6 3.503 1.448 0.756 0.728 1.000 0.400 CB 0.502 6 residues pruned to eliminate duplicates Z: 42 28.046 1.914 0.626 0.780 0.927 0.805 CB 1.186 45 residues pruned to eliminate duplicates Z: 18 10.088 1.654 0.560 0.700 0.882 0.529 CB 0.895 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 19.916 2.056 0.797 0.859 0.900 0.300 CB 1.394 11 residues pruned to eliminate duplicates Z: 19 30.066 2.121 0.713 0.933 0.944 0.722 CA 1.442 19 residues pruned to eliminate duplicates Z: 26 36.202 2.058 0.969 0.720 0.920 0.520 CA 1.593 24 residues pruned to eliminate duplicates Z: 21 37.268 2.113 0.815 0.907 1.000 0.650 CB 1.544 21 residues pruned to eliminate duplicates Z: 20 41.799 2.209 0.971 0.907 0.947 0.842 CA 1.652 20 residues pruned to eliminate duplicates Z: 24 42.742 2.123 1.174 0.856 0.957 0.435 CB 1.489 23 residues pruned to eliminate duplicates Z: 21 38.570 2.116 1.068 0.928 0.950 0.600 CB 1.453 21 residues pruned to eliminate duplicates Z: 25 34.293 2.105 0.759 0.729 0.958 0.375 CB 1.605 23 residues pruned to eliminate duplicates Z: 21 36.021 2.121 0.941 0.857 0.900 0.400 CA 1.601 21 residues pruned to eliminate duplicates Z: 25 36.476 2.078 0.961 0.733 0.917 0.417 CB 1.616 25 residues pruned to eliminate duplicates Z: 21 43.958 2.142 1.202 0.914 0.950 0.450 CB 1.551 21 residues pruned to eliminate duplicates Z: 25 38.621 2.111 0.978 0.745 0.958 0.542 CB 1.583 25 residues pruned to eliminate duplicates Z: 21 42.663 2.161 1.280 0.882 0.900 0.650 CB 1.557 21 residues pruned to eliminate duplicates Z: 24 34.549 2.091 0.950 0.766 0.913 0.435 CB 1.528 24 residues pruned to eliminate duplicates Z: 26 35.212 1.999 1.020 0.686 0.960 0.600 CB 1.532 26 residues pruned to eliminate duplicates Z: 18 33.027 2.214 1.079 0.797 0.824 0.588 CB 1.629 18 residues pruned to eliminate duplicates Z: 22 46.552 2.208 1.229 0.857 0.905 0.381 CB 1.681 24 residues pruned to eliminate duplicates Z: 16 36.655 2.217 1.033 0.904 0.933 0.600 CB 1.602 19 residues pruned to eliminate duplicates Z: 23 45.456 2.106 1.131 0.823 1.000 0.455 CA 1.632 20 residues pruned to eliminate duplicates Z: 14 22.105 1.981 0.553 0.818 1.000 0.692 CA 1.513 14 residues pruned to eliminate duplicates Z: 14 21.198 1.951 0.668 0.902 0.923 0.846 CB 1.396 14 residues pruned to eliminate duplicates Z: 27 14.908 1.738 0.471 0.521 0.846 0.385 CA 1.324 27 residues pruned to eliminate duplicates Z: 18 18.390 1.960 0.397 0.623 0.941 0.471 CB 1.541 18 residues pruned to eliminate duplicates Z: 18 23.360 1.986 0.518 0.686 1.000 0.647 CB 1.584 14 residues pruned to eliminate duplicates Z: 16 20.574 1.853 0.590 0.815 1.000 0.533 CB 1.371 16 residues pruned to eliminate duplicates Z: 19 18.543 1.918 0.586 0.657 0.889 0.556 CB 1.397 19 residues pruned to eliminate duplicates Z: 20 17.183 1.875 0.529 0.620 0.895 0.579 CB 1.372 20 residues pruned to eliminate duplicates Z: 20 20.308 1.907 0.564 0.651 0.895 0.632 CB 1.517 20 residues pruned to eliminate duplicates Z: 21 19.416 1.859 0.625 0.580 1.000 0.550 CB 1.330 21 residues pruned to eliminate duplicates Z: 43 33.709 1.976 0.579 0.690 0.952 0.595 CB 1.471 42 residues pruned to eliminate duplicates Z: 15 23.250 2.039 0.646 0.761 0.929 0.571 CB 1.581 15 residues pruned to eliminate duplicates Z: 19 22.493 1.927 0.692 0.640 1.000 0.444 CB 1.427 19 residues pruned to eliminate duplicates Z: 20 18.916 1.896 0.585 0.611 0.947 0.632 CB 1.373 20 residues pruned to eliminate duplicates Z: 20 18.039 1.880 0.482 0.604 0.947 0.526 CB 1.420 20 residues pruned to eliminate duplicates 6 1.321 1.352 -0.280 0.379 0.600 0.000 CB 1.150 ? Z: 13 7.509 1.904 0.335 0.274 0.750 0.417 CB 1.470 13 residues pruned to eliminate duplicates Z: 7 4.357 1.411 0.349 0.473 1.000 0.500 CA 0.961 6 residues pruned to eliminate duplicates Z: 6 2.773 1.084 0.464 0.485 1.000 1.000 CA 0.793 6 residues pruned to eliminate duplicates Z: 43 20.046 1.764 0.628 0.622 0.857 0.500 CB 1.120 43 residues pruned to eliminate duplicates Z: 11 4.494 1.845 0.137 0.200 0.700 0.300 CB 1.383 11 residues pruned to eliminate duplicates Z: 13 7.348 1.827 0.276 0.254 0.833 0.417 CB 1.449 13 residues pruned to eliminate duplicates Z: 44 20.095 1.774 0.558 0.590 0.860 0.488 CB 1.182 44 residues pruned to eliminate duplicates Z: 42 19.405 1.790 0.602 0.622 0.829 0.463 CB 1.135 42 residues pruned to eliminate duplicates Z: 24 17.164 1.845 0.583 0.563 0.913 0.478 CA 1.262 24 residues pruned to eliminate duplicates Z: 41 20.005 1.788 0.488 0.629 0.900 0.625 CB 1.169 41 residues pruned to eliminate duplicates Z: 42 19.508 1.793 0.465 0.633 0.902 0.610 CB 1.135 42 residues pruned to eliminate duplicates Z: 41 18.551 1.785 0.553 0.594 0.850 0.550 CB 1.138 41 residues pruned to eliminate duplicates Z: 43 18.856 1.756 0.527 0.614 0.857 0.571 CB 1.136 43 residues pruned to eliminate duplicates Z: 20 11.775 1.760 0.518 0.589 0.737 0.526 CA 1.260 20 residues pruned to eliminate duplicates Z: 41 19.631 1.806 0.504 0.634 0.875 0.575 CB 1.152 41 residues pruned to eliminate duplicates Z: 40 20.034 1.782 0.567 0.636 0.872 0.436 CB 1.160 40 residues pruned to eliminate duplicates Z: 41 22.355 1.811 0.597 0.645 0.925 0.625 CB 1.154 41 residues pruned to eliminate duplicates Z: 13 19.225 1.865 0.741 0.894 1.000 0.667 CA 1.226 13 residues pruned to eliminate duplicates Z: 24 15.029 1.720 0.599 0.566 0.870 0.696 CB 1.228 24 residues pruned to eliminate duplicates Z: 40 21.606 1.804 0.548 0.677 0.897 0.487 CB 1.173 40 residues pruned to eliminate duplicates Z: 14 13.511 1.809 0.724 0.872 0.846 0.538 CA 1.034 14 residues pruned to eliminate duplicates Z: 40 19.842 1.777 0.528 0.648 0.897 0.513 CB 1.136 40 residues pruned to eliminate duplicates Z: 29 21.907 1.766 0.780 0.780 0.929 0.607 CB 1.108 29 residues pruned to eliminate duplicates Z: 14 10.382 1.643 0.312 0.660 1.000 0.769 CB 1.152 14 residues pruned to eliminate duplicates Z: 23 10.596 1.638 0.664 0.563 0.864 0.545 CB 0.903 23 residues pruned to eliminate duplicates Z: 19 11.887 1.685 0.465 0.647 1.000 0.500 CB 0.990 19 residues pruned to eliminate duplicates Z: 20 11.067 1.669 0.378 0.676 0.947 0.789 CB 0.991 20 residues pruned to eliminate duplicates Z: 18 12.432 1.681 0.544 0.680 0.941 0.647 CB 1.046 18 residues pruned to eliminate duplicates Z: 25 12.893 1.700 0.613 0.644 0.875 0.583 CB 0.959 25 residues pruned to eliminate duplicates Z: 17 13.427 1.709 0.601 0.710 0.938 0.625 CB 1.082 17 residues pruned to eliminate duplicates Z: 20 11.384 1.677 0.411 0.630 0.947 0.526 CB 1.031 20 residues pruned to eliminate duplicates Z: 19 12.320 1.690 0.451 0.689 0.944 0.722 CB 1.055 19 residues pruned to eliminate duplicates Z: 18 11.794 1.694 0.499 0.617 0.941 0.706 CB 1.071 18 residues pruned to eliminate duplicates Z: 17 12.166 1.715 0.517 0.649 0.938 0.438 CB 1.085 17 residues pruned to eliminate duplicates Z: 25 11.878 1.698 0.527 0.477 0.958 0.542 CB 0.999 18 residues pruned to eliminate duplicates Z: 29 28.246 1.986 0.443 0.842 1.000 0.786 CA 1.388 29 residues pruned to eliminate duplicates Z: 40 25.571 1.973 0.499 0.675 0.949 0.692 CB 1.241 40 residues pruned to eliminate duplicates Z: 32 27.726 1.939 0.450 0.814 0.968 0.677 CB 1.393 32 residues pruned to eliminate duplicates Z: 31 24.431 1.968 0.331 0.824 0.967 0.733 CB 1.330 31 residues pruned to eliminate duplicates Z: 32 27.706 2.058 0.526 0.750 0.935 0.710 CB 1.355 32 residues pruned to eliminate duplicates Z: 33 23.273 1.940 0.343 0.813 0.938 0.719 CB 1.283 33 residues pruned to eliminate duplicates Z: 64 35.790 2.018 0.590 0.639 0.905 0.683 CB 1.364 58 residues pruned to eliminate duplicates Z: 26 27.356 2.044 0.350 0.907 1.000 0.840 CB 1.410 26 residues pruned to eliminate duplicates Z: 33 28.808 2.061 0.403 0.757 1.000 0.688 CB 1.402 37 residues pruned to eliminate duplicates Z: 25 25.967 2.098 0.268 0.912 1.000 0.833 CB 1.411 25 residues pruned to eliminate duplicates Z: 28 24.815 2.040 0.227 0.877 1.000 0.852 CB 1.387 27 residues pruned to eliminate duplicates Z: 26 24.971 2.031 0.321 0.884 0.960 0.840 CB 1.401 26 residues pruned to eliminate duplicates Z: 36 26.188 1.975 0.520 0.756 0.914 0.657 CB 1.284 33 residues pruned to eliminate duplicates Z: 27 31.309 2.048 0.634 0.904 0.962 0.692 CB 1.359 27 residues pruned to eliminate duplicates Z: 36 25.331 1.970 0.591 0.746 0.914 0.657 CB 1.198 36 residues pruned to eliminate duplicates Z: 35 27.669 2.063 0.676 0.684 0.912 0.588 CB 1.271 41 residues pruned to eliminate duplicates Z: 27 34.619 2.049 0.733 0.908 1.000 0.808 CB 1.358 27 residues pruned to eliminate duplicates Z: 32 30.052 1.937 0.691 0.835 0.935 0.710 CB 1.320 26 residues pruned to eliminate duplicates Z: 25 30.315 2.090 0.714 0.920 0.917 0.708 CB 1.327 25 residues pruned to eliminate duplicates Z: 37 22.829 1.915 0.528 0.729 0.861 0.528 CB 1.228 38 residues pruned to eliminate duplicates Z: 26 36.010 2.076 0.863 0.928 1.000 0.560 CB 1.303 26 residues pruned to eliminate duplicates Z: 33 29.516 2.057 0.624 0.735 0.969 0.438 CB 1.305 33 residues pruned to eliminate duplicates Z: 33 27.873 2.050 0.576 0.774 0.938 0.625 CB 1.277 33 residues pruned to eliminate duplicates Z: 37 28.435 1.979 0.646 0.744 0.944 0.472 CB 1.238 37 residues pruned to eliminate duplicates Z: 36 27.342 1.996 0.560 0.759 0.943 0.657 CB 1.250 36 residues pruned to eliminate duplicates Z: 62 39.545 2.051 0.773 0.646 0.902 0.525 CB 1.347 62 residues pruned to eliminate duplicates Z: 37 28.884 1.993 0.596 0.720 0.972 0.639 CB 1.277 37 residues pruned to eliminate duplicates Z: 31 29.687 2.071 0.858 0.756 0.900 0.433 CB 1.246 31 residues pruned to eliminate duplicates Z: 38 28.150 1.959 0.705 0.727 0.919 0.514 CB 1.228 38 residues pruned to eliminate duplicates Z: 37 27.411 1.992 0.640 0.728 0.889 0.583 CB 1.280 37 residues pruned to eliminate duplicates Z: 6 4.126 1.560 1.018 0.466 0.800 0.800 CA 0.759 6 residues pruned to eliminate duplicates Z: 99 55.011 2.040 0.793 0.718 0.949 0.745 CB 1.315 98 residues pruned to eliminate duplicates Z: 7 5.917 1.751 0.214 0.275 1.000 0.500 CA 1.467 7 residues pruned to eliminate duplicates Z: 32 30.799 2.099 0.896 0.512 0.903 0.548 CB 1.520 32 residues pruned to eliminate duplicates Z: 65 47.860 2.044 0.729 0.718 0.984 0.781 CB 1.412 65 residues pruned to eliminate duplicates Z: 20 34.717 2.168 0.910 0.794 0.947 0.737 CB 1.568 20 residues pruned to eliminate duplicates Z: 65 46.373 2.048 0.720 0.725 1.000 0.688 CB 1.343 66 residues pruned to eliminate duplicates Z: 17 40.312 2.238 1.041 0.930 1.000 0.875 CB 1.542 17 residues pruned to eliminate duplicates Z: 38 33.169 2.050 0.744 0.654 0.919 0.676 CB 1.438 38 residues pruned to eliminate duplicates Z: 77 41.358 2.011 0.657 0.621 0.947 0.724 CB 1.340 77 residues pruned to eliminate duplicates Z: 33 29.480 2.072 0.707 0.567 0.938 0.656 CB 1.473 33 residues pruned to eliminate duplicates Z: 78 41.434 1.940 0.702 0.677 0.935 0.701 CB 1.300 70 residues pruned to eliminate duplicates Z: 16 39.721 2.282 0.962 0.936 0.933 0.867 CB 1.709 16 residues pruned to eliminate duplicates Z: 22 31.180 2.041 0.974 0.697 0.905 0.667 CB 1.559 22 residues pruned to eliminate duplicates Z: 73 42.164 1.980 0.667 0.675 0.958 0.708 CB 1.336 73 residues pruned to eliminate duplicates Z: 27 32.124 2.072 0.829 0.621 0.962 0.654 CB 1.542 27 residues pruned to eliminate duplicates Z: 65 48.974 2.051 0.753 0.722 1.000 0.750 CB 1.393 65 residues pruned to eliminate duplicates Z: 71 45.487 2.014 0.751 0.652 0.971 0.714 CB 1.377 71 residues pruned to eliminate duplicates Z: 64 43.956 2.051 0.695 0.725 0.968 0.714 CB 1.343 64 residues pruned to eliminate duplicates Z: 72 44.479 2.000 0.691 0.668 0.972 0.732 CB 1.375 72 residues pruned to eliminate duplicates Z: 62 44.417 2.044 0.635 0.746 1.000 0.721 CB 1.365 62 residues pruned to eliminate duplicates Z: 61 47.983 2.057 0.781 0.758 0.983 0.783 CB 1.367 78 residues pruned to eliminate duplicates Z: 29 36.712 2.118 0.765 0.797 1.000 0.786 CA 1.430 29 residues pruned to eliminate duplicates Z: 67 48.229 2.048 0.767 0.710 0.985 0.727 CB 1.376 67 residues pruned to eliminate duplicates Z: 65 42.345 2.003 0.687 0.720 0.938 0.812 CB 1.370 65 residues pruned to eliminate duplicates Z: 99 53.988 2.018 0.757 0.696 0.969 0.622 CB 1.327 99 residues pruned to eliminate duplicates Z: 64 47.570 2.065 0.715 0.740 0.984 0.825 CB 1.387 64 residues pruned to eliminate duplicates Z: 73 41.493 1.988 0.670 0.659 0.944 0.653 CB 1.346 73 residues pruned to eliminate duplicates Z: 74 44.097 1.986 0.723 0.661 0.959 0.740 CB 1.355 74 residues pruned to eliminate duplicates Z: 67 44.857 2.029 0.657 0.697 0.970 0.758 CB 1.415 67 residues pruned to eliminate duplicates Z: 57 46.665 2.096 0.729 0.747 0.982 0.857 CA 1.406 57 residues pruned to eliminate duplicates Z: 65 47.794 2.048 0.748 0.703 1.000 0.734 CB 1.387 65 residues pruned to eliminate duplicates Z: 67 46.400 2.039 0.718 0.682 0.985 0.727 CB 1.401 67 residues pruned to eliminate duplicates Z: 71 43.301 2.016 0.740 0.670 0.943 0.686 CB 1.337 64 residues pruned to eliminate duplicates Z: 27 33.352 2.019 0.933 0.822 0.962 0.692 CA 1.319 27 residues pruned to eliminate duplicates Z: 65 49.863 2.047 0.764 0.717 1.000 0.656 CB 1.418 65 residues pruned to eliminate duplicates Z: 65 46.973 2.063 0.662 0.710 1.000 0.766 CB 1.415 65 residues pruned to eliminate duplicates Z: 72 44.487 2.022 0.718 0.649 0.958 0.690 CB 1.382 72 residues pruned to eliminate duplicates Z: 67 47.369 2.030 0.712 0.733 1.000 0.773 CB 1.360 67 residues pruned to eliminate duplicates Z: 65 47.874 2.066 0.752 0.716 0.984 0.734 CB 1.381 65 residues pruned to eliminate duplicates Z: 71 46.951 2.040 0.725 0.673 0.971 0.714 CB 1.399 71 residues pruned to eliminate duplicates Z: 17 21.268 1.896 1.018 0.814 0.875 0.562 CB 1.209 17 residues pruned to eliminate duplicates Z: 65 51.840 2.058 0.858 0.729 1.000 0.750 CB 1.378 65 residues pruned to eliminate duplicates Z: 66 48.773 2.037 0.830 0.697 0.969 0.738 CB 1.398 66 residues pruned to eliminate duplicates Z: 66 42.608 2.020 0.683 0.726 0.969 0.662 CB 1.308 66 residues pruned to eliminate duplicates Z: 63 44.392 2.045 0.699 0.734 0.952 0.661 CB 1.382 63 residues pruned to eliminate duplicates Z: 41 28.474 1.896 0.773 0.675 0.950 0.650 CB 1.200 41 residues pruned to eliminate duplicates Z: 34 33.313 1.950 0.783 0.711 1.000 0.545 CB 1.378 36 residues pruned to eliminate duplicates Z: 15 17.223 1.832 0.554 0.892 0.929 0.714 CA 1.251 15 residues pruned to eliminate duplicates Z: 110 50.831 1.990 0.799 0.667 0.899 0.578 CB 1.296 110 residues pruned to eliminate duplicates Z: 102 54.190 2.040 0.729 0.711 0.970 0.703 CB 1.301 102 residues pruned to eliminate duplicates Z: 16 11.921 1.744 0.499 0.797 0.867 0.667 CB 1.047 16 residues pruned to eliminate duplicates Z: 60 47.824 2.058 0.836 0.760 0.949 0.678 CB 1.378 60 residues pruned to eliminate duplicates Z: 67 42.597 2.022 0.716 0.717 0.955 0.712 CB 1.301 67 residues pruned to eliminate duplicates Z: 31 29.167 1.897 1.064 0.789 0.967 0.567 CB 1.091 31 residues pruned to eliminate duplicates Z: 72 43.801 2.032 0.639 0.671 0.958 0.662 CB 1.391 72 residues pruned to eliminate duplicates Z: 79 44.340 2.023 0.786 0.627 0.910 0.692 CB 1.355 79 residues pruned to eliminate duplicates Z: 15 5.202 1.652 0.441 0.358 0.714 0.286 CB 0.952 15 residues pruned to eliminate duplicates Z: 71 43.951 1.998 0.782 0.658 0.971 0.657 CB 1.312 71 residues pruned to eliminate duplicates Z: 66 45.709 2.044 0.712 0.733 0.969 0.723 CB 1.355 66 residues pruned to eliminate duplicates Z: 37 27.185 1.933 0.797 0.626 0.944 0.556 CB 1.226 37 residues pruned to eliminate duplicates Z: 7 4.468 1.767 0.613 0.180 0.667 0.167 CB 1.412 7 residues pruned to eliminate duplicates Z: 16 6.203 1.710 0.389 0.315 0.733 0.400 CB 1.127 16 residues pruned to eliminate duplicates Z: 72 43.907 2.028 0.661 0.651 0.972 0.606 CB 1.383 72 residues pruned to eliminate duplicates Z: 6 5.492 1.937 0.917 0.184 0.600 0.200 CA 1.611 5 residues pruned to eliminate duplicates Z: 9 11.302 1.695 0.377 0.849 1.000 0.750 CB 1.269 Z: 10 10.668 1.615 0.448 0.831 1.000 0.667 CB 1.143 10 residues pruned to eliminate duplicates Z: 11 9.045 1.560 0.317 0.787 0.900 0.500 CB 1.202 9 residues pruned to eliminate duplicates Z: 9 10.664 1.646 0.330 0.861 1.000 0.875 CA 1.265 11 residues pruned to eliminate duplicates Z: 11 8.731 1.581 0.387 0.697 1.000 0.500 CB 1.051 11 residues pruned to eliminate duplicates Z: 10 10.567 1.734 0.331 0.751 1.000 0.444 CB 1.219 9 residues pruned to eliminate duplicates Z: 6 5.858 1.599 1.231 0.426 0.800 0.800 CB 0.992 6 residues pruned to eliminate duplicates Z: 58 48.865 2.171 0.695 0.686 0.965 0.684 CA 1.537 58 residues pruned to eliminate duplicates Z: 15 18.960 2.116 0.539 0.594 0.929 0.929 CA 1.533 15 residues pruned to eliminate duplicates Z: 14 23.609 2.159 0.571 0.614 1.000 0.769 CB 1.734 14 residues pruned to eliminate duplicates Z: 15 21.346 2.131 0.713 0.560 0.929 0.714 CA 1.587 15 residues pruned to eliminate duplicates Z: 10 6.060 1.555 0.323 0.439 0.889 0.444 CA 1.175 10 residues pruned to eliminate duplicates Z: 56 51.908 2.153 0.889 0.658 0.945 0.709 CA 1.572 56 residues pruned to eliminate duplicates Z: 17 25.606 2.130 0.912 0.739 0.812 0.688 CA 1.561 17 residues pruned to eliminate duplicates Z: 42 42.735 2.189 0.900 0.601 0.927 0.585 CB 1.571 42 residues pruned to eliminate duplicates Z: 41 41.355 2.112 0.940 0.653 0.900 0.600 CB 1.538 41 residues pruned to eliminate duplicates Z: 46 55.637 2.203 1.037 0.712 0.933 0.689 CA 1.633 46 residues pruned to eliminate duplicates Z: 32 28.627 2.033 0.855 0.572 0.871 0.677 CB 1.461 32 residues pruned to eliminate duplicates Z: 27 32.806 2.160 0.826 0.616 1.000 0.808 CB 1.461 27 residues pruned to eliminate duplicates Z: 50 46.384 2.209 0.736 0.686 0.898 0.714 CA 1.623 50 residues pruned to eliminate duplicates Z: 28 33.532 2.179 0.830 0.635 0.963 0.815 CB 1.481 28 residues pruned to eliminate duplicates Z: 49 53.588 2.162 0.916 0.679 0.979 0.750 CB 1.617 49 residues pruned to eliminate duplicates Z: 52 49.052 2.125 1.014 0.627 0.941 0.667 CB 1.513 52 residues pruned to eliminate duplicates Z: 45 53.498 2.239 1.006 0.729 0.909 0.750 CA 1.607 45 residues pruned to eliminate duplicates Z: 49 47.549 2.167 0.896 0.672 0.896 0.688 CA 1.590 49 residues pruned to eliminate duplicates Z: 58 51.636 2.176 0.846 0.691 0.912 0.772 CB 1.567 58 residues pruned to eliminate duplicates Z: 19 28.076 2.160 0.935 0.609 0.889 0.667 CA 1.607 19 residues pruned to eliminate duplicates Z: 44 57.487 2.249 0.947 0.735 1.000 0.651 CA 1.621 44 residues pruned to eliminate duplicates Z: 58 54.265 2.201 0.833 0.681 0.947 0.737 CB 1.592 58 residues pruned to eliminate duplicates Z: 47 48.743 2.213 0.906 0.697 0.913 0.674 CB 1.558 47 residues pruned to eliminate duplicates Z: 59 54.568 2.165 0.909 0.673 0.931 0.690 CB 1.587 59 residues pruned to eliminate duplicates Z: 25 42.170 2.274 0.708 0.857 1.000 0.792 CB 1.634 25 residues pruned to eliminate duplicates Z: 23 26.573 2.113 0.802 0.547 0.955 0.409 CB 1.489 23 residues pruned to eliminate duplicates Z: 50 57.172 2.201 0.998 0.696 0.959 0.633 CA 1.619 48 residues pruned to eliminate duplicates Z: 24 51.717 2.256 1.177 0.924 0.957 0.739 CB 1.612 24 residues pruned to eliminate duplicates Z: 45 55.499 2.222 0.995 0.730 0.932 0.614 CB 1.647 45 residues pruned to eliminate duplicates Z: 58 56.342 2.200 0.885 0.669 0.947 0.649 CA 1.625 58 residues pruned to eliminate duplicates Z: 45 61.356 2.235 1.135 0.739 0.955 0.568 CA 1.639 45 residues pruned to eliminate duplicates Z: 44 52.770 2.244 1.002 0.735 0.884 0.651 CA 1.642 44 residues pruned to eliminate duplicates Z: 46 58.874 2.223 1.096 0.715 0.956 0.578 CB 1.623 47 residues pruned to eliminate duplicates Z: 23 44.569 2.303 1.055 0.916 0.909 0.591 CB 1.559 23 residues pruned to eliminate duplicates Z: 48 58.160 2.223 1.022 0.727 0.957 0.468 CB 1.606 48 residues pruned to eliminate duplicates Z: 46 57.044 2.205 1.046 0.722 0.933 0.578 CA 1.652 46 residues pruned to eliminate duplicates Z: 57 60.546 2.228 0.999 0.700 0.911 0.464 CB 1.663 57 residues pruned to eliminate duplicates Z: 22 44.294 2.281 1.219 0.793 0.905 0.429 CA 1.632 22 residues pruned to eliminate duplicates Z: 44 62.838 2.249 1.092 0.745 0.977 0.465 CA 1.675 44 residues pruned to eliminate duplicates Z: 23 50.907 2.247 1.280 0.865 1.000 0.409 CB 1.552 23 residues pruned to eliminate duplicates Z: 46 54.888 2.181 1.058 0.709 0.933 0.422 CB 1.616 46 residues pruned to eliminate duplicates Z: 41 45.210 2.149 1.054 0.642 0.950 0.475 CB 1.493 41 residues pruned to eliminate duplicates Z: 58 51.055 2.207 0.804 0.642 0.947 0.632 CA 1.569 76 residues pruned to eliminate duplicates Z: 15 16.989 2.130 0.184 0.747 1.000 0.786 CA 1.444 15 residues pruned to eliminate duplicates Z: 61 41.777 2.111 0.860 0.583 0.867 0.550 CB 1.464 61 residues pruned to eliminate duplicates Z: 36 30.360 2.016 0.611 0.745 0.971 0.686 CB 1.307 36 residues pruned to eliminate duplicates Z: 30 26.882 2.074 0.614 0.663 0.897 0.655 CA 1.430 30 residues pruned to eliminate duplicates Z: 36 26.962 2.023 0.507 0.729 0.914 0.657 CB 1.330 36 residues pruned to eliminate duplicates Z: 36 31.235 1.998 0.735 0.754 0.943 0.543 CB 1.289 36 residues pruned to eliminate duplicates Z: 106 64.264 2.130 0.802 0.683 0.924 0.657 CB 1.495 106 residues pruned to eliminate duplicates Z: 103 70.029 2.151 0.840 0.700 0.961 0.598 CB 1.519 103 residues pruned to eliminate duplicates Z: 35 34.548 2.049 0.785 0.757 0.971 0.588 CB 1.328 35 residues pruned to eliminate duplicates Z: 28 35.821 2.194 0.856 0.746 0.963 0.630 CB 1.411 28 residues pruned to eliminate duplicates Z: 90 65.888 2.153 0.964 0.691 0.921 0.573 CB 1.505 90 residues pruned to eliminate duplicates Z: 35 32.420 2.047 0.797 0.749 0.941 0.471 CB 1.286 35 residues pruned to eliminate duplicates Z: 35 33.119 2.076 0.860 0.750 0.941 0.588 CB 1.250 35 residues pruned to eliminate duplicates Z: 35 35.127 2.048 0.882 0.738 0.971 0.529 CB 1.300 35 residues pruned to eliminate duplicates Z: 37 32.214 2.035 0.817 0.724 0.944 0.639 CB 1.256 37 residues pruned to eliminate duplicates Z: 30 30.317 2.165 0.863 0.676 0.897 0.483 CB 1.324 30 residues pruned to eliminate duplicates Z: 34 32.470 2.063 0.762 0.752 0.939 0.515 CB 1.322 34 residues pruned to eliminate duplicates Z: 35 35.007 2.040 0.869 0.758 0.941 0.412 CB 1.330 35 residues pruned to eliminate duplicates Z: 36 36.269 2.032 0.872 0.772 0.971 0.629 CB 1.304 36 residues pruned to eliminate duplicates Z: 105 66.008 2.128 0.777 0.689 0.981 0.644 CB 1.467 105 residues pruned to eliminate duplicates Z: 97 74.368 2.185 0.957 0.728 0.969 0.635 CB 1.492 97 residues pruned to eliminate duplicates Z: 96 68.831 2.170 0.903 0.691 0.947 0.589 CB 1.516 96 residues pruned to eliminate duplicates Z: 37 46.692 2.321 0.949 0.639 0.944 0.583 CB 1.600 37 residues pruned to eliminate duplicates Z: 26 43.493 2.339 1.107 0.576 0.960 0.480 CA 1.709 26 residues pruned to eliminate duplicates Z: 70 53.270 2.183 0.776 0.664 0.913 0.681 CA 1.556 70 residues pruned to eliminate duplicates Z: 28 41.825 2.287 0.932 0.617 0.963 0.519 CB 1.693 28 residues pruned to eliminate duplicates Z: 62 66.145 2.242 0.938 0.742 0.984 0.803 CA 1.595 62 residues pruned to eliminate duplicates Z: 68 62.260 2.226 0.869 0.695 0.985 0.776 CB 1.553 68 residues pruned to eliminate duplicates Z: 66 59.749 2.213 0.809 0.718 0.969 0.692 CA 1.569 66 residues pruned to eliminate duplicates Z: 62 62.611 2.224 0.808 0.765 1.000 0.738 CA 1.577 62 residues pruned to eliminate duplicates Z: 66 65.940 2.231 1.014 0.690 0.954 0.662 CA 1.604 66 residues pruned to eliminate duplicates Z: 70 60.016 2.218 0.836 0.676 0.971 0.696 CA 1.554 70 residues pruned to eliminate duplicates Z: 69 65.076 2.203 0.955 0.701 0.971 0.706 CA 1.571 69 residues pruned to eliminate duplicates Z: 95 69.232 2.230 0.848 0.677 0.947 0.628 CB 1.555 95 residues pruned to eliminate duplicates Z: 83 56.720 2.107 0.833 0.686 0.927 0.671 CA 1.476 83 residues pruned to eliminate duplicates Z: 66 64.247 2.216 0.971 0.712 0.969 0.692 CA 1.554 66 residues pruned to eliminate duplicates Z: 70 55.576 2.168 0.741 0.666 0.971 0.768 CA 1.565 70 residues pruned to eliminate duplicates Z: 70 61.684 2.227 0.868 0.672 0.971 0.826 CA 1.569 70 residues pruned to eliminate duplicates Z: 72 59.000 2.180 0.907 0.675 0.958 0.775 CA 1.497 72 residues pruned to eliminate duplicates Z: 65 55.751 2.226 0.766 0.710 0.984 0.750 CA 1.488 65 residues pruned to eliminate duplicates Z: 71 58.616 2.220 0.816 0.686 0.957 0.729 CA 1.531 71 residues pruned to eliminate duplicates Z: 65 58.040 2.233 0.793 0.711 1.000 0.750 CA 1.496 65 residues pruned to eliminate duplicates Z: 68 57.220 2.227 0.755 0.697 0.970 0.761 CA 1.541 68 residues pruned to eliminate duplicates Z: 97 67.108 2.210 0.806 0.686 0.948 0.646 CB 1.527 97 residues pruned to eliminate duplicates Z: 65 67.318 2.257 0.987 0.716 0.984 0.781 CA 1.567 65 residues pruned to eliminate duplicates Z: 99 74.453 2.174 0.982 0.718 0.969 0.643 CB 1.478 99 residues pruned to eliminate duplicates Z: 69 54.169 2.203 0.764 0.680 0.941 0.706 CA 1.522 69 residues pruned to eliminate duplicates Z: 66 63.280 2.246 0.909 0.714 0.969 0.815 CA 1.556 66 residues pruned to eliminate duplicates Z: 66 61.953 2.214 0.886 0.707 1.000 0.769 CA 1.524 66 residues pruned to eliminate duplicates Z: 65 62.877 2.246 0.885 0.724 1.000 0.781 CA 1.517 65 residues pruned to eliminate duplicates Z: 76 58.409 2.171 0.898 0.648 0.933 0.733 CA 1.527 76 residues pruned to eliminate duplicates Z: 70 61.302 2.211 0.874 0.690 0.957 0.754 CA 1.565 70 residues pruned to eliminate duplicates Z: 75 58.199 2.167 0.908 0.660 0.959 0.703 CA 1.469 75 residues pruned to eliminate duplicates Z: 72 61.109 2.193 0.900 0.677 0.958 0.704 CA 1.544 72 residues pruned to eliminate duplicates Z: 69 57.827 2.223 0.813 0.681 0.956 0.779 CA 1.542 69 residues pruned to eliminate duplicates Z: 71 60.775 2.205 0.858 0.684 0.986 0.686 CA 1.519 71 residues pruned to eliminate duplicates Z: 71 62.567 2.177 0.958 0.667 0.957 0.614 CB 1.571 71 residues pruned to eliminate duplicates Z: 66 62.783 2.207 0.867 0.718 0.985 0.723 CA 1.576 66 residues pruned to eliminate duplicates Z: 35 36.362 2.060 0.768 0.677 0.941 0.765 CB 1.546 35 residues pruned to eliminate duplicates Z: 31 40.873 2.086 1.079 0.749 0.933 0.733 CA 1.476 31 residues pruned to eliminate duplicates Z: 65 68.333 2.261 1.064 0.708 0.953 0.734 CA 1.589 65 residues pruned to eliminate duplicates Z: 70 65.793 2.221 0.970 0.675 0.971 0.725 CA 1.587 70 residues pruned to eliminate duplicates Z: 63 64.214 2.233 0.924 0.739 0.984 0.758 CA 1.558 63 residues pruned to eliminate duplicates Z: 72 60.895 2.193 0.986 0.654 0.944 0.620 CB 1.523 72 residues pruned to eliminate duplicates Z: 66 61.084 2.227 0.878 0.692 0.969 0.723 CB 1.568 66 residues pruned to eliminate duplicates Z: 67 61.657 2.220 0.901 0.707 0.970 0.818 CA 1.536 67 residues pruned to eliminate duplicates Z: 70 59.754 2.208 0.863 0.678 0.942 0.652 CA 1.577 70 residues pruned to eliminate duplicates Z: 37 41.667 2.091 0.921 0.700 0.944 0.722 CA 1.525 37 residues pruned to eliminate duplicates Z: 71 62.587 2.174 0.925 0.671 0.971 0.714 CA 1.572 71 residues pruned to eliminate duplicates Z: 68 67.373 2.219 1.009 0.704 0.970 0.687 CB 1.581 68 residues pruned to eliminate duplicates Z: 69 62.821 2.204 0.969 0.669 0.971 0.750 CB 1.547 69 residues pruned to eliminate duplicates Z: 66 68.949 2.217 1.060 0.712 0.985 0.677 CB 1.570 66 residues pruned to eliminate duplicates Z: 67 61.856 2.179 0.914 0.693 0.955 0.621 CB 1.602 67 residues pruned to eliminate duplicates Z: 65 66.410 2.228 1.022 0.715 0.984 0.703 CA 1.541 65 residues pruned to eliminate duplicates Z: 65 68.634 2.230 1.053 0.709 1.000 0.609 CA 1.551 65 residues pruned to eliminate duplicates Z: 63 69.196 2.250 1.061 0.731 0.984 0.613 CA 1.564 63 residues pruned to eliminate duplicates Z: 59 59.123 2.253 0.933 0.681 0.966 0.621 CB 1.563 59 residues pruned to eliminate duplicates Z: 36 22.907 1.960 0.932 0.476 0.771 0.314 CB 1.359 36 residues pruned to eliminate duplicates Z: 55 31.419 2.014 0.887 0.562 0.815 0.481 CB 1.300 55 residues pruned to eliminate duplicates Z: 57 64.343 2.281 1.098 0.729 0.911 0.607 CA 1.606 57 residues pruned to eliminate duplicates Z: 91 63.665 2.226 0.913 0.624 0.900 0.622 CB 1.558 91 residues pruned to eliminate duplicates Z: 44 36.867 2.120 0.835 0.621 0.930 0.558 CB 1.386 44 residues pruned to eliminate duplicates Z: 31 22.020 2.112 0.800 0.473 0.800 0.500 CB 1.359 31 residues pruned to eliminate duplicates Z: 44 38.347 2.126 0.851 0.642 0.953 0.535 CB 1.365 44 residues pruned to eliminate duplicates Z: 42 31.465 2.079 0.839 0.562 0.927 0.512 CB 1.306 42 residues pruned to eliminate duplicates Z: 44 31.915 2.107 0.840 0.623 0.884 0.628 CB 1.265 44 residues pruned to eliminate duplicates Z: 44 36.893 2.126 0.774 0.654 0.953 0.581 CB 1.355 44 residues pruned to eliminate duplicates Z: 41 31.145 2.061 0.846 0.592 0.900 0.425 CB 1.317 41 residues pruned to eliminate duplicates Z: 11 9.587 1.914 0.621 0.469 0.900 0.400 CB 1.121 11 residues pruned to eliminate duplicates Z: 8 11.124 2.037 0.620 0.503 1.000 0.857 CB 1.271 8 residues pruned to eliminate duplicates Z: 51 27.817 2.040 0.709 0.566 0.820 0.640 CB 1.292 51 residues pruned to eliminate duplicates Z: 44 31.993 2.107 0.801 0.624 0.884 0.628 CB 1.293 44 residues pruned to eliminate duplicates Z: 44 28.928 2.076 0.797 0.622 0.837 0.581 CB 1.259 44 residues pruned to eliminate duplicates Z: 40 26.949 2.099 0.727 0.592 0.846 0.487 CB 1.288 40 residues pruned to eliminate duplicates Z: 33 31.639 2.143 0.738 0.722 0.938 0.531 CB 1.311 33 residues pruned to eliminate duplicates Z: 30 26.279 2.149 0.877 0.522 0.862 0.483 CB 1.374 30 residues pruned to eliminate duplicates Z: 45 34.666 2.108 0.794 0.623 0.932 0.523 CB 1.321 45 residues pruned to eliminate duplicates Z: 44 35.495 2.109 0.770 0.642 0.930 0.651 CB 1.365 44 residues pruned to eliminate duplicates Z: 45 35.002 2.098 0.777 0.634 0.932 0.545 CB 1.339 45 residues pruned to eliminate duplicates Z: 46 34.193 2.061 0.841 0.597 0.933 0.533 CB 1.312 46 residues pruned to eliminate duplicates Z: 44 34.617 2.109 0.751 0.651 0.930 0.698 CB 1.335 44 residues pruned to eliminate duplicates Z: 102 67.136 2.194 0.977 0.616 0.941 0.574 CB 1.467 102 residues pruned to eliminate duplicates Z: 45 32.826 2.082 0.789 0.629 0.932 0.545 CB 1.263 45 residues pruned to eliminate duplicates Z: 46 32.882 2.061 0.778 0.630 0.911 0.556 CB 1.299 46 residues pruned to eliminate duplicates Z: 26 25.844 2.199 0.872 0.539 0.840 0.560 CB 1.439 26 residues pruned to eliminate duplicates Z: 44 35.402 2.101 0.812 0.629 0.953 0.581 CB 1.318 44 residues pruned to eliminate duplicates Z: 44 35.161 2.113 0.811 0.629 0.953 0.512 CB 1.301 44 residues pruned to eliminate duplicates Z: 45 34.886 2.060 0.816 0.611 0.955 0.500 CB 1.326 45 residues pruned to eliminate duplicates Z: 39 33.101 2.144 0.831 0.615 0.921 0.684 CB 1.332 39 residues pruned to eliminate duplicates Z: 45 30.709 2.071 0.793 0.611 0.886 0.500 CB 1.266 45 residues pruned to eliminate duplicates Z: 38 22.815 2.046 0.689 0.528 0.892 0.486 CB 1.183 38 residues pruned to eliminate duplicates Z: 16 16.661 1.951 0.515 0.770 1.000 0.600 CB 1.146 16 residues pruned to eliminate duplicates Z: 17 16.655 1.924 0.630 0.825 1.000 0.625 CB 1.002 17 residues pruned to eliminate duplicates Z: 19 14.964 1.848 0.569 0.729 0.889 0.389 CB 1.114 19 residues pruned to eliminate duplicates Z: 14 12.692 1.886 0.734 0.726 0.923 0.462 CB 0.951 14 residues pruned to eliminate duplicates Z: 36 22.366 2.099 0.510 0.545 0.886 0.514 CB 1.289 36 residues pruned to eliminate duplicates Z: 20 16.435 1.799 0.725 0.674 0.895 0.421 CB 1.156 20 residues pruned to eliminate duplicates Z: 17 19.592 1.946 0.762 0.816 1.000 0.625 CB 1.085 17 residues pruned to eliminate duplicates Z: 42 28.093 2.032 0.645 0.599 0.878 0.488 CB 1.360 42 residues pruned to eliminate duplicates Z: 45 31.820 2.096 0.786 0.635 0.886 0.614 CB 1.274 45 residues pruned to eliminate duplicates Z: 17 18.042 1.914 0.789 0.740 1.000 0.625 CB 1.063 17 residues pruned to eliminate duplicates Z: 43 31.977 2.066 0.709 0.606 0.905 0.500 CB 1.397 43 residues pruned to eliminate duplicates Z: 108 70.770 2.181 0.980 0.656 0.925 0.617 CB 1.482 120 residues pruned to eliminate duplicates Z: 13 18.502 1.812 0.632 0.802 1.000 0.500 CB 1.387 14 residues pruned to eliminate duplicates Z: 12 20.367 1.930 0.663 0.838 1.000 0.545 CB 1.430 12 residues pruned to eliminate duplicates Z: 27 14.248 1.955 0.408 0.495 0.885 0.692 CB 1.153 27 residues pruned to eliminate duplicates Z: 14 8.615 1.930 0.517 0.256 0.846 0.462 CA 1.276 Z: 6 4.070 1.755 -0.083 0.389 1.000 0.400 CB 1.271 5 residues pruned to eliminate duplicates Z: 6 5.648 1.861 0.219 0.441 1.000 0.600 CB 1.183 6 residues pruned to eliminate duplicates 6 1.521 1.532 0.205 0.243 0.800 0.200 CA 0.620 ? 404 residues left after pruning, divided into chains as follows: A: 12 B: 42 C: 49 D: 106 E: 10 F: 177 G: 8 CC for partial structure against native data = 39.23 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.480, Connect. = 0.738 for dens.mod. cycle 1 = 0.301, Contrast = 0.560, Connect. = 0.765 for dens.mod. cycle 2 = 0.302, Contrast = 0.673, Connect. = 0.795 for dens.mod. cycle 3 = 0.301, Contrast = 0.679, Connect. = 0.796 for dens.mod. cycle 4 = 0.302, Contrast = 0.694, Connect. = 0.798 for dens.mod. cycle 5 = 0.302, Contrast = 0.696, Connect. = 0.799 for dens.mod. cycle 6 = 0.302, Contrast = 0.703, Connect. = 0.801 for dens.mod. cycle 7 = 0.302, Contrast = 0.705, Connect. = 0.801 for dens.mod. cycle 8 = 0.302, Contrast = 0.708, Connect. = 0.802 for dens.mod. cycle 9 = 0.302, Contrast = 0.710, Connect. = 0.803 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.37 - 3.46 - 3.02 - 2.74 - 2.54 - 2.39 - 2.27 - 2.17 - 2.08 - 1.91 0.736 0.727 0.712 0.710 0.698 0.710 0.745 0.719 0.692 0.606 0.891 0.868 0.881 0.886 0.881 0.896 0.928 0.919 0.897 0.847 N 3896 3925 3902 3940 3958 3934 3869 3786 3944 3740 Estimated mean FOM = 0.706 Pseudo-free CC = 72.82 % Best trace (cycle 2 with CC 41.68%) was saved as ./2fno-1.9-parrot-noncs/2fno-1.9-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 6.5 - FFTs and peak-searches 24.0 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 1180.0 - Tripeptide search 7862.9 - Chain tracing 0.0 - NCS analysis 21.1 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 03:03:56 Total time: 9095.75 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 152.36 Used memory is bytes: 17000904