null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:51:46 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.ins Phases from ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.phi Native data from ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.hkl Listing output to ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.lst Phases output to ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.phs Poly-Ala trace output to ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 1 2 1 Allowed origin shift code: 3 38894 Reflections read from file ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.phi 38894 Reflections read from file ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.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 = 0.488, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.689, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.703, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.710, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.717, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.721, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.724, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.726, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2883 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 574 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 60.920 2.343 1.528 0.944 1.000 0.500 CB 1.593 B: 23 52.011 2.287 1.213 0.915 1.000 0.818 CB 1.549 22 residues pruned to eliminate duplicates C: 22 55.907 2.320 1.405 0.941 1.000 0.429 CB 1.517 22 residues pruned to eliminate duplicates D: 20 49.229 2.334 1.171 0.914 1.000 0.579 CB 1.576 20 residues pruned to eliminate duplicates E: 19 47.906 2.148 1.421 0.917 1.000 0.722 CB 1.532 F: 15 23.938 1.987 0.801 0.879 1.000 0.857 CA 1.296 G: 22 49.385 2.308 1.246 0.925 0.952 0.476 CB 1.532 22 residues pruned to eliminate duplicates H: 15 22.205 1.955 0.648 0.873 0.929 0.857 CA 1.444 I: 22 44.597 2.269 0.875 0.935 1.000 1.000 CA 1.594 22 residues pruned to eliminate duplicates J: 16 19.971 1.958 0.748 0.775 0.933 0.733 CA 1.266 16 residues pruned to eliminate duplicates K: 15 20.687 1.999 0.482 0.843 1.000 0.857 CA 1.389 15 residues pruned to eliminate duplicates L: 16 25.351 1.970 1.183 0.846 0.800 0.733 CB 1.414 16 residues pruned to eliminate duplicates M: 14 32.016 2.096 1.285 0.900 1.000 0.769 CB 1.324 15 residues pruned to eliminate duplicates N: 16 28.909 1.970 0.922 0.860 0.933 0.867 CB 1.553 15 residues pruned to eliminate duplicates O: 21 49.100 2.279 1.486 0.893 0.950 0.450 CB 1.464 21 residues pruned to eliminate duplicates P: 19 38.997 1.995 1.266 0.918 1.000 0.611 CB 1.434 Q: 19 40.550 2.116 1.323 0.931 0.944 0.611 CB 1.438 19 residues pruned to eliminate duplicates R: 20 52.095 2.278 1.336 0.900 0.947 0.421 CA 1.694 20 residues pruned to eliminate duplicates S: 19 45.821 2.101 1.587 0.924 0.944 0.722 CA 1.478 19 residues pruned to eliminate duplicates T: 16 39.587 2.322 1.134 0.907 0.933 0.600 CB 1.571 16 residues pruned to eliminate duplicates U: 26 32.373 2.105 0.697 0.901 1.000 0.720 CB 1.294 V: 23 48.914 2.284 1.127 0.896 1.000 0.727 CB 1.538 23 residues pruned to eliminate duplicates W: 25 33.558 2.175 0.771 0.935 0.958 0.833 CB 1.293 25 residues pruned to eliminate duplicates X: 19 39.424 2.140 1.104 0.894 0.944 0.833 CA 1.568 19 residues pruned to eliminate duplicates Y: 21 36.922 2.059 0.875 0.930 1.000 0.650 CB 1.496 Z: 22 47.231 2.306 0.896 0.927 1.000 0.905 CB 1.652 22 residues pruned to eliminate duplicates Z: 20 35.005 1.975 1.208 0.878 0.947 0.789 CA 1.411 20 residues pruned to eliminate duplicates Z: 17 48.450 2.308 1.346 0.924 0.938 0.750 CA 1.675 17 residues pruned to eliminate duplicates Z: 13 19.365 1.879 0.486 0.910 1.000 0.833 CB 1.420 Z: 26 29.083 2.065 0.591 0.880 1.000 0.840 CB 1.283 26 residues pruned to eliminate duplicates Z: 18 41.582 2.104 1.318 0.922 0.941 0.765 CB 1.545 19 residues pruned to eliminate duplicates Z: 26 29.530 2.077 0.680 0.886 1.000 0.720 CB 1.221 26 residues pruned to eliminate duplicates Z: 23 43.275 2.201 1.011 0.928 1.000 0.818 CB 1.459 21 residues pruned to eliminate duplicates Z: 24 47.031 2.219 1.144 0.923 1.000 0.565 CB 1.449 24 residues pruned to eliminate duplicates Z: 18 48.033 2.207 1.355 0.932 1.000 0.647 CB 1.565 18 residues pruned to eliminate duplicates Z: 19 41.851 2.107 1.257 0.887 0.944 0.833 CB 1.583 19 residues pruned to eliminate duplicates Z: 34 44.252 2.027 1.117 0.807 1.000 0.758 CB 1.372 17 residues pruned to eliminate duplicates Z: 16 23.386 1.916 1.236 0.911 1.000 0.733 CA 0.999 Z: 14 27.886 2.115 0.756 0.889 1.000 0.769 CB 1.499 16 residues pruned to eliminate duplicates Z: 33 21.667 1.898 0.667 0.438 0.906 0.656 CB 1.424 14 residues pruned to eliminate duplicates Z: 19 32.970 2.119 0.702 0.943 1.000 0.778 CA 1.493 20 residues pruned to eliminate duplicates Z: 18 39.456 2.081 1.227 0.924 1.000 0.941 CA 1.450 18 residues pruned to eliminate duplicates Z: 22 38.811 2.226 1.004 0.886 0.905 0.714 CB 1.513 22 residues pruned to eliminate duplicates Z: 25 29.683 2.171 0.562 0.919 0.958 0.750 CB 1.314 25 residues pruned to eliminate duplicates Z: 13 18.814 1.988 0.402 0.897 0.917 0.917 CB 1.522 14 residues pruned to eliminate duplicates Z: 26 29.173 1.963 0.772 0.904 0.960 0.840 CB 1.244 Z: 10 11.126 1.833 0.454 0.453 1.000 0.444 CB 1.459 10 residues pruned to eliminate duplicates Z: 7 16.145 2.029 0.917 0.679 1.000 0.833 CB 1.438 7 residues pruned to eliminate duplicates Z: 15 23.192 2.019 0.772 0.863 1.000 0.786 CA 1.271 15 residues pruned to eliminate duplicates Z: 14 23.403 2.131 1.319 0.808 0.769 0.615 CB 1.306 14 residues pruned to eliminate duplicates Z: 27 30.875 2.073 0.690 0.895 0.962 0.846 CB 1.289 27 residues pruned to eliminate duplicates Z: 19 18.645 1.872 0.761 0.838 0.944 0.667 CB 1.055 19 residues pruned to eliminate duplicates Z: 21 45.395 2.055 1.365 0.922 1.000 0.500 CB 1.468 20 residues pruned to eliminate duplicates Z: 12 19.577 1.943 0.497 0.867 1.000 0.909 CA 1.484 12 residues pruned to eliminate duplicates Z: 14 30.441 2.032 1.405 0.936 1.000 0.846 CA 1.204 14 residues pruned to eliminate duplicates Z: 14 20.660 2.088 0.597 0.885 0.923 0.769 CA 1.344 14 residues pruned to eliminate duplicates Z: 16 20.046 1.886 0.993 0.796 0.933 0.667 CB 1.139 7 residues pruned to eliminate duplicates Z: 13 22.273 1.914 1.263 0.808 0.917 0.667 CB 1.238 Z: 19 39.523 2.022 1.279 0.930 0.944 0.722 CB 1.497 19 residues pruned to eliminate duplicates Z: 59 43.643 2.036 0.800 0.649 0.966 0.776 CA 1.410 57 residues pruned to eliminate duplicates Z: 22 38.640 1.980 1.306 0.904 1.000 0.429 CB 1.316 22 residues pruned to eliminate duplicates Z: 19 47.369 2.135 1.323 0.907 1.000 0.722 CB 1.600 19 residues pruned to eliminate duplicates Z: 17 38.715 2.231 1.240 0.829 0.938 0.625 CB 1.553 17 residues pruned to eliminate duplicates Z: 10 19.161 2.137 0.628 0.931 1.000 1.000 CB 1.283 10 residues pruned to eliminate duplicates Z: 22 35.825 2.253 0.541 0.952 1.000 0.952 CA 1.550 22 residues pruned to eliminate duplicates Z: 13 17.749 1.966 0.271 0.903 1.000 0.917 CA 1.461 13 residues pruned to eliminate duplicates Z: 27 25.232 1.966 0.699 0.878 0.923 0.808 CB 1.165 26 residues pruned to eliminate duplicates Z: 21 39.932 2.032 1.095 0.908 1.000 0.600 CA 1.490 21 residues pruned to eliminate duplicates Z: 23 54.884 2.292 1.377 0.925 1.000 0.864 CB 1.508 23 residues pruned to eliminate duplicates Z: 13 25.619 2.043 0.977 0.848 1.000 0.833 CA 1.359 13 residues pruned to eliminate duplicates Z: 13 31.969 2.173 1.132 0.918 1.000 0.917 CB 1.405 14 residues pruned to eliminate duplicates Z: 26 23.781 1.963 0.768 0.878 0.920 0.480 CB 1.081 26 residues pruned to eliminate duplicates Z: 21 37.893 2.088 0.983 0.920 1.000 0.700 CB 1.441 21 residues pruned to eliminate duplicates Z: 26 33.845 2.103 0.760 0.903 1.000 0.640 CB 1.303 25 residues pruned to eliminate duplicates Z: 27 40.566 2.068 1.001 0.869 1.000 0.731 CB 1.404 27 residues pruned to eliminate duplicates Z: 19 43.229 2.130 1.295 0.899 1.000 0.500 CA 1.490 19 residues pruned to eliminate duplicates Z: 13 25.720 1.973 0.986 0.919 1.000 0.833 CA 1.335 13 residues pruned to eliminate duplicates Z: 15 19.554 1.980 0.390 0.896 0.929 0.929 CB 1.465 Z: 18 49.363 2.208 1.442 0.916 1.000 0.471 CB 1.568 18 residues pruned to eliminate duplicates Z: 25 23.412 2.051 0.554 0.840 0.917 0.792 CA 1.220 25 residues pruned to eliminate duplicates Z: 11 27.175 2.057 1.111 0.895 1.000 0.800 CA 1.419 11 residues pruned to eliminate duplicates Z: 14 21.372 2.014 0.680 0.662 0.923 0.923 CB 1.634 16 residues pruned to eliminate duplicates Z: 13 16.124 1.833 0.612 0.808 0.917 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 24 46.868 2.169 1.456 0.885 0.957 0.435 CB 1.385 24 residues pruned to eliminate duplicates Z: 24 30.089 1.858 1.042 0.832 0.957 0.826 CA 1.298 20 residues pruned to eliminate duplicates Z: 20 37.532 2.108 0.887 0.923 1.000 0.947 CB 1.521 21 residues pruned to eliminate duplicates Z: 20 36.966 2.076 1.290 0.901 0.895 0.789 CA 1.423 20 residues pruned to eliminate duplicates Z: 22 40.541 2.240 0.843 0.921 1.000 0.857 CB 1.508 25 residues pruned to eliminate duplicates Z: 18 31.362 2.184 1.082 0.809 1.000 0.647 CB 1.278 19 residues pruned to eliminate duplicates Z: 16 19.957 1.855 0.939 0.851 0.933 0.733 CA 1.136 16 residues pruned to eliminate duplicates Z: 15 31.560 2.118 1.039 0.856 1.000 0.643 CB 1.441 14 residues pruned to eliminate duplicates Z: 43 31.055 2.019 0.680 0.575 0.905 0.667 CB 1.452 43 residues pruned to eliminate duplicates Z: 13 29.607 2.250 0.880 0.925 1.000 0.750 CB 1.418 13 residues pruned to eliminate duplicates Z: 11 24.653 2.091 1.226 0.886 0.900 0.700 CB 1.342 11 residues pruned to eliminate duplicates Z: 12 24.253 2.026 0.898 0.885 1.000 0.727 CB 1.373 12 residues pruned to eliminate duplicates Z: 19 39.238 2.144 0.947 0.931 1.000 0.722 CB 1.548 19 residues pruned to eliminate duplicates Z: 10 12.522 1.842 0.148 0.915 1.000 1.000 CB 1.394 Z: 18 24.532 2.063 0.765 0.864 0.882 0.882 CA 1.357 18 residues pruned to eliminate duplicates Z: 21 34.803 2.071 0.759 0.927 1.000 0.850 CB 1.497 21 residues pruned to eliminate duplicates Z: 22 55.396 2.309 1.357 0.933 1.000 0.714 CB 1.550 24 residues pruned to eliminate duplicates Z: 19 32.685 2.002 0.928 0.925 1.000 0.944 CA 1.401 19 residues pruned to eliminate duplicates Z: 11 25.291 2.162 0.912 0.898 1.000 0.800 CB 1.383 11 residues pruned to eliminate duplicates Z: 18 35.424 2.171 1.042 0.907 0.941 0.941 CA 1.464 18 residues pruned to eliminate duplicates Z: 14 18.707 1.872 0.565 0.866 0.923 0.846 CA 1.404 14 residues pruned to eliminate duplicates Z: 20 42.147 2.115 1.158 0.924 0.947 0.632 CA 1.571 20 residues pruned to eliminate duplicates Z: 13 29.876 1.930 1.206 0.926 1.000 0.583 CA 1.421 13 residues pruned to eliminate duplicates Z: 13 25.168 1.943 1.008 0.926 0.917 0.500 CB 1.424 13 residues pruned to eliminate duplicates Z: 17 21.467 1.824 1.135 0.898 1.000 0.875 CA 0.986 17 residues pruned to eliminate duplicates Z: 16 35.476 2.174 0.832 0.927 1.000 1.000 CA 1.612 16 residues pruned to eliminate duplicates Z: 21 32.419 2.020 0.741 0.924 1.000 0.850 CB 1.447 21 residues pruned to eliminate duplicates Z: 20 26.673 1.955 0.587 0.931 1.000 0.947 CA 1.378 20 residues pruned to eliminate duplicates Z: 18 29.516 2.114 0.949 0.863 0.882 0.353 CB 1.444 18 residues pruned to eliminate duplicates Z: 21 42.451 2.090 1.176 0.937 0.950 0.650 CB 1.529 21 residues pruned to eliminate duplicates Z: 11 28.316 2.069 1.106 0.937 1.000 1.000 CB 1.430 11 residues pruned to eliminate duplicates Z: 13 19.618 1.835 0.894 0.876 0.917 0.667 CB 1.292 Z: 13 26.497 2.014 0.864 0.873 1.000 0.833 CA 1.484 13 residues pruned to eliminate duplicates Z: 12 18.700 2.000 0.570 0.898 0.909 0.818 CA 1.413 12 residues pruned to eliminate duplicates Z: 16 17.593 2.058 0.315 0.895 0.933 0.800 CB 1.289 16 residues pruned to eliminate duplicates Z: 12 17.353 1.987 0.459 0.894 0.909 0.818 CB 1.425 12 residues pruned to eliminate duplicates Z: 15 27.179 2.068 0.895 0.858 0.929 0.786 CB 1.469 15 residues pruned to eliminate duplicates Z: 10 12.642 1.899 0.711 0.771 0.889 0.778 CB 1.147 10 residues pruned to eliminate duplicates Z: 26 28.868 2.121 0.431 0.912 1.000 0.880 CB 1.347 26 residues pruned to eliminate duplicates Z: 9 11.319 1.894 0.817 0.794 0.875 0.500 CB 1.027 9 residues pruned to eliminate duplicates Z: 27 25.807 1.955 0.476 0.896 1.000 0.731 CB 1.256 27 residues pruned to eliminate duplicates Z: 9 12.245 1.800 0.222 0.901 1.000 0.875 CB 1.405 9 residues pruned to eliminate duplicates Z: 13 19.751 1.837 0.825 0.910 0.917 0.750 CB 1.316 13 residues pruned to eliminate duplicates Z: 26 33.342 2.015 1.019 0.829 0.960 0.680 CA 1.285 28 residues pruned to eliminate duplicates Z: 8 16.207 2.009 0.623 0.900 1.000 0.857 CB 1.341 8 residues pruned to eliminate duplicates Z: 14 21.264 1.816 0.986 0.850 0.923 0.692 CB 1.313 14 residues pruned to eliminate duplicates Z: 9 10.456 1.801 -0.005 0.918 1.000 1.000 CB 1.455 9 residues pruned to eliminate duplicates Z: 14 22.348 1.962 0.616 0.906 1.000 0.923 CA 1.391 14 residues pruned to eliminate duplicates Z: 13 28.095 2.092 1.197 0.894 1.000 0.917 CB 1.265 13 residues pruned to eliminate duplicates Z: 17 22.252 1.795 1.059 0.880 0.938 0.688 CA 1.163 16 residues pruned to eliminate duplicates Z: 16 19.645 1.942 0.805 0.520 0.933 0.733 CA 1.520 16 residues pruned to eliminate duplicates Z: 21 44.559 2.061 1.301 0.898 1.000 0.650 CB 1.502 21 residues pruned to eliminate duplicates Z: 26 29.913 2.103 0.825 0.883 0.920 0.680 CB 1.225 26 residues pruned to eliminate duplicates Z: 14 24.581 2.032 0.774 0.639 1.000 0.692 CB 1.661 14 residues pruned to eliminate duplicates Z: 25 39.636 2.137 1.075 0.913 0.958 0.750 CB 1.348 25 residues pruned to eliminate duplicates Z: 55 30.275 1.911 0.731 0.546 0.944 0.574 CB 1.261 13 residues pruned to eliminate duplicates Z: 25 26.826 2.002 0.765 0.908 1.000 0.667 CB 1.101 25 residues pruned to eliminate duplicates Z: 14 39.611 2.091 1.478 0.861 1.000 0.462 CA 1.558 14 residues pruned to eliminate duplicates Z: 13 25.741 2.176 1.140 0.875 0.833 0.417 CB 1.393 13 residues pruned to eliminate duplicates Z: 10 2.605 1.581 0.582 0.171 0.667 0.222 CB 0.776 5 residues pruned to eliminate duplicates Z: 15 23.403 1.937 1.166 0.885 0.929 0.786 CA 1.159 15 residues pruned to eliminate duplicates Z: 15 15.881 1.612 0.783 0.849 0.929 0.714 CB 1.179 15 residues pruned to eliminate duplicates Z: 15 22.843 2.135 0.505 0.920 1.000 0.857 CB 1.338 15 residues pruned to eliminate duplicates Z: 26 20.845 1.974 0.275 0.905 0.960 0.840 CB 1.229 26 residues pruned to eliminate duplicates Z: 22 40.774 1.961 1.278 0.933 0.952 0.667 CA 1.459 22 residues pruned to eliminate duplicates Z: 16 26.031 1.925 1.333 0.939 1.000 0.867 CA 1.040 16 residues pruned to eliminate duplicates Z: 18 44.499 2.238 1.212 0.908 1.000 0.941 CA 1.549 19 residues pruned to eliminate duplicates Z: 15 27.729 2.184 0.681 0.947 1.000 0.929 CA 1.395 15 residues pruned to eliminate duplicates Z: 22 40.226 1.969 1.398 0.938 1.000 0.571 CB 1.293 22 residues pruned to eliminate duplicates Z: 20 38.514 2.110 0.969 0.926 1.000 0.789 CA 1.491 20 residues pruned to eliminate duplicates Z: 18 27.085 2.127 0.711 0.869 0.941 0.882 CA 1.401 18 residues pruned to eliminate duplicates Z: 14 31.904 2.059 1.407 0.920 0.923 0.462 CB 1.362 14 residues pruned to eliminate duplicates Z: 15 17.681 1.881 0.369 0.891 1.000 0.929 CA 1.319 14 residues pruned to eliminate duplicates Z: 25 33.530 2.171 0.747 0.900 1.000 0.792 CB 1.290 25 residues pruned to eliminate duplicates Z: 13 26.053 1.989 0.945 0.872 1.000 0.833 CA 1.417 13 residues pruned to eliminate duplicates Z: 13 18.463 1.862 0.671 0.898 0.917 0.833 CB 1.337 13 residues pruned to eliminate duplicates Z: 22 36.973 2.077 1.071 0.830 0.952 0.857 CA 1.480 18 residues pruned to eliminate duplicates Z: 10 14.876 1.920 0.247 0.923 1.000 0.889 CB 1.456 10 residues pruned to eliminate duplicates Z: 15 22.718 2.037 0.562 0.848 1.000 0.714 CA 1.416 15 residues pruned to eliminate duplicates Z: 15 23.096 2.014 1.127 0.930 1.000 0.857 CA 1.007 15 residues pruned to eliminate duplicates 6 0.886 1.386 -0.157 0.337 0.800 0.600 CB 0.507 ? Z: 25 23.782 1.991 0.481 0.906 0.958 0.750 CB 1.223 25 residues pruned to eliminate duplicates Z: 27 29.695 1.941 0.925 0.891 0.962 0.577 CB 1.165 27 residues pruned to eliminate duplicates Z: 14 30.074 2.157 1.227 0.907 0.923 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 8 16.434 1.906 0.852 0.920 1.000 1.000 CB 1.239 8 residues pruned to eliminate duplicates Z: 15 20.321 1.960 0.569 0.898 0.929 0.857 CB 1.360 20 residues pruned to eliminate duplicates Z: 24 25.278 2.022 0.510 0.921 1.000 0.870 CB 1.215 24 residues pruned to eliminate duplicates Z: 17 28.278 2.122 0.714 0.888 0.938 0.875 CA 1.494 17 residues pruned to eliminate duplicates Z: 9 7.260 1.466 0.775 0.597 0.875 0.625 CB 1.028 Z: 7 10.721 1.943 0.354 0.698 1.000 0.667 CB 1.388 Z: 14 23.507 2.021 0.822 0.914 1.000 0.692 CB 1.252 14 residues pruned to eliminate duplicates Z: 13 18.380 1.832 0.602 0.920 1.000 0.833 CB 1.273 13 residues pruned to eliminate duplicates Z: 14 19.937 1.899 0.666 0.837 0.923 0.923 CA 1.417 12 residues pruned to eliminate duplicates Z: 14 25.645 1.994 1.370 0.917 1.000 0.385 CB 1.062 14 residues pruned to eliminate duplicates Z: 16 44.130 2.340 1.210 0.958 1.000 0.867 CB 1.512 16 residues pruned to eliminate duplicates Z: 11 13.013 1.774 0.528 0.832 1.000 0.800 CB 1.140 11 residues pruned to eliminate duplicates Z: 25 32.217 2.127 0.705 0.907 1.000 0.833 CB 1.289 25 residues pruned to eliminate duplicates Z: 15 17.453 1.971 0.192 0.904 1.000 0.929 CB 1.413 15 residues pruned to eliminate duplicates Z: 27 20.783 1.927 0.303 0.899 1.000 0.808 CB 1.160 27 residues pruned to eliminate duplicates Z: 86 59.986 2.087 1.127 0.654 0.941 0.612 CB 1.350 80 residues pruned to eliminate duplicates Z: 17 31.794 2.005 1.091 0.881 1.000 0.562 CB 1.373 17 residues pruned to eliminate duplicates Z: 15 10.555 1.599 0.395 0.869 1.000 0.929 CB 0.924 Z: 15 23.670 1.937 0.724 0.893 0.929 0.857 CA 1.465 15 residues pruned to eliminate duplicates Z: 16 21.258 2.115 0.357 0.929 1.000 1.000 CB 1.339 16 residues pruned to eliminate duplicates Z: 21 25.732 2.017 0.470 0.949 1.000 1.000 CA 1.339 21 residues pruned to eliminate duplicates Z: 22 34.373 1.942 1.200 0.921 1.000 0.524 CB 1.235 21 residues pruned to eliminate duplicates Z: 13 16.788 1.839 0.757 0.823 0.917 0.750 CB 1.237 13 residues pruned to eliminate duplicates Z: 19 27.689 1.944 0.982 0.894 0.944 0.833 CA 1.287 19 residues pruned to eliminate duplicates Z: 24 9.140 1.818 0.360 0.389 0.783 0.435 CB 1.108 24 residues pruned to eliminate duplicates Z: 18 35.699 2.066 1.199 0.919 0.941 0.588 CB 1.427 18 residues pruned to eliminate duplicates Z: 27 25.299 2.027 0.330 0.901 1.000 0.846 CB 1.314 27 residues pruned to eliminate duplicates Z: 16 22.681 2.005 0.487 0.816 1.000 0.667 CA 1.492 16 residues pruned to eliminate duplicates Z: 21 31.600 2.047 0.639 0.892 1.000 0.800 CA 1.513 22 residues pruned to eliminate duplicates Z: 27 25.211 1.938 0.524 0.886 1.000 0.846 CB 1.208 27 residues pruned to eliminate duplicates Z: 9 5.393 1.675 0.370 0.457 0.750 0.625 CB 1.158 9 residues pruned to eliminate duplicates Z: 15 23.801 1.955 0.850 0.909 0.929 0.571 CB 1.344 15 residues pruned to eliminate duplicates Z: 25 30.066 2.006 0.741 0.900 1.000 0.792 CB 1.255 26 residues pruned to eliminate duplicates Z: 18 15.585 1.903 0.330 0.706 0.941 0.824 CB 1.316 15 residues pruned to eliminate duplicates Z: 20 38.165 2.103 1.227 0.908 0.895 0.526 CB 1.483 20 residues pruned to eliminate duplicates Z: 12 15.759 2.057 0.360 0.867 0.909 0.818 CB 1.367 12 residues pruned to eliminate duplicates Z: 15 30.219 2.101 1.107 0.860 0.929 0.714 CB 1.444 15 residues pruned to eliminate duplicates Z: 20 44.118 2.111 1.474 0.937 0.947 0.789 CA 1.424 20 residues pruned to eliminate duplicates Z: 22 43.952 2.055 1.378 0.901 1.000 0.667 CB 1.401 21 residues pruned to eliminate duplicates Z: 17 19.302 1.755 0.539 0.874 1.000 0.750 CB 1.300 17 residues pruned to eliminate duplicates Z: 16 20.612 1.936 0.363 0.885 1.000 0.667 CA 1.456 16 residues pruned to eliminate duplicates Z: 16 28.080 1.951 1.064 0.917 1.000 0.600 CB 1.270 16 residues pruned to eliminate duplicates Z: 27 29.794 2.040 0.712 0.865 0.962 0.500 CB 1.274 27 residues pruned to eliminate duplicates Z: 53 26.697 1.946 0.760 0.532 0.827 0.423 CB 1.267 53 residues pruned to eliminate duplicates Z: 10 8.726 1.676 1.034 0.297 1.000 0.333 CA 1.070 10 residues pruned to eliminate duplicates Z: 25 19.731 2.002 0.332 0.867 0.958 0.792 CB 1.153 25 residues pruned to eliminate duplicates Z: 27 23.900 1.941 0.591 0.890 0.962 0.885 CB 1.135 27 residues pruned to eliminate duplicates Z: 12 23.756 1.823 1.102 0.901 1.000 0.818 CA 1.334 13 residues pruned to eliminate duplicates Z: 14 18.283 2.068 0.375 0.839 0.923 0.846 CB 1.443 14 residues pruned to eliminate duplicates Z: 17 25.709 1.876 0.778 0.853 1.000 0.750 CB 1.424 16 residues pruned to eliminate duplicates Z: 11 14.446 1.827 0.362 0.913 1.000 0.700 CB 1.299 11 residues pruned to eliminate duplicates Z: 7 3.714 1.599 0.123 0.420 0.833 0.667 CB 1.102 7 residues pruned to eliminate duplicates Z: 22 38.201 2.269 0.664 0.937 1.000 0.810 CB 1.537 22 residues pruned to eliminate duplicates Z: 13 18.747 1.965 0.469 0.888 0.917 0.750 CB 1.473 13 residues pruned to eliminate duplicates Z: 13 23.166 1.970 0.668 0.912 1.000 0.583 CB 1.441 13 residues pruned to eliminate duplicates Z: 12 26.763 1.985 1.209 0.898 1.000 1.000 CA 1.316 12 residues pruned to eliminate duplicates Z: 13 19.105 1.901 0.895 0.833 0.917 0.833 CA 1.253 13 residues pruned to eliminate duplicates Z: 26 25.183 1.985 0.530 0.916 1.000 0.880 CB 1.172 26 residues pruned to eliminate duplicates Z: 8 10.234 1.821 0.445 0.891 1.000 0.857 CB 1.056 7 residues pruned to eliminate duplicates Z: 14 27.813 2.118 0.685 0.919 1.000 0.769 CA 1.523 14 residues pruned to eliminate duplicates Z: 27 26.788 2.011 0.516 0.904 1.000 0.808 CB 1.228 27 residues pruned to eliminate duplicates Z: 31 30.614 1.935 0.802 0.801 0.900 0.667 CA 1.369 31 residues pruned to eliminate duplicates Z: 9 11.654 1.783 0.269 0.894 0.875 0.375 CB 1.493 9 residues pruned to eliminate duplicates Z: 25 29.733 2.035 0.836 0.930 0.958 0.792 CB 1.185 25 residues pruned to eliminate duplicates Z: 14 18.233 1.873 0.533 0.803 0.923 0.692 CB 1.465 14 residues pruned to eliminate duplicates Z: 28 16.646 1.645 0.790 0.639 0.926 0.593 CB 1.032 28 residues pruned to eliminate duplicates Z: 26 21.116 2.080 0.471 0.861 0.880 0.800 CB 1.152 26 residues pruned to eliminate duplicates Z: 21 41.390 2.044 1.280 0.929 1.000 0.450 CB 1.390 21 residues pruned to eliminate duplicates Z: 25 29.858 2.036 0.836 0.914 0.958 0.667 CB 1.203 25 residues pruned to eliminate duplicates Z: 16 25.473 1.854 1.323 0.837 0.933 0.667 CB 1.223 16 residues pruned to eliminate duplicates Z: 10 2.996 1.559 0.076 0.302 0.889 0.222 CB 0.836 Z: 27 26.748 1.951 0.671 0.916 1.000 0.846 CB 1.137 27 residues pruned to eliminate duplicates Z: 9 4.264 1.647 0.673 0.332 0.625 0.375 CB 1.053 Z: 26 19.952 1.943 0.352 0.902 1.000 0.840 CB 1.084 26 residues pruned to eliminate duplicates Z: 18 39.250 2.114 1.141 0.923 1.000 0.882 CA 1.477 22 residues pruned to eliminate duplicates Z: 16 24.360 1.978 0.695 0.884 0.933 0.867 CA 1.451 17 residues pruned to eliminate duplicates Z: 13 16.843 1.787 0.513 0.909 1.000 0.917 CB 1.276 12 residues pruned to eliminate duplicates Z: 16 24.032 1.892 0.688 0.858 1.000 0.600 CB 1.431 16 residues pruned to eliminate duplicates Z: 13 15.847 1.744 0.562 0.874 1.000 0.917 CB 1.221 13 residues pruned to eliminate duplicates Z: 25 38.681 2.173 1.009 0.929 0.958 0.583 CB 1.321 29 residues pruned to eliminate duplicates Z: 10 7.537 1.454 0.488 0.878 1.000 0.556 CB 0.843 Z: 14 11.713 1.615 0.684 0.863 0.846 0.846 CB 1.036 15 residues pruned to eliminate duplicates Z: 14 16.010 1.735 0.849 0.839 0.846 0.769 CA 1.222 14 residues pruned to eliminate duplicates Z: 58 40.271 1.984 0.973 0.627 0.965 0.684 CB 1.253 58 residues pruned to eliminate duplicates Z: 18 42.628 2.179 1.255 0.908 1.000 0.765 CA 1.494 18 residues pruned to eliminate duplicates Z: 25 25.749 2.106 0.830 0.850 0.833 0.375 CB 1.212 25 residues pruned to eliminate duplicates Z: 16 25.735 1.849 1.243 0.896 0.933 0.600 CA 1.230 17 residues pruned to eliminate duplicates Z: 6 6.694 1.653 0.779 0.579 0.800 0.800 CB 1.180 Z: 13 22.662 1.970 0.837 0.877 0.917 0.583 CB 1.432 13 residues pruned to eliminate duplicates Z: 14 32.601 2.084 1.303 0.933 1.000 0.692 CB 1.315 14 residues pruned to eliminate duplicates Z: 15 22.731 1.874 1.271 0.866 0.857 0.500 CA 1.219 15 residues pruned to eliminate duplicates Z: 15 25.719 1.898 1.504 0.873 0.929 0.500 CB 1.134 15 residues pruned to eliminate duplicates Z: 7 8.364 1.775 0.912 0.741 0.667 0.333 CA 1.216 7 residues pruned to eliminate duplicates Z: 25 23.579 1.959 0.458 0.915 1.000 0.875 CB 1.191 25 residues pruned to eliminate duplicates Z: 18 35.581 2.043 1.318 0.924 0.941 0.765 CB 1.359 18 residues pruned to eliminate duplicates Z: 26 23.967 1.999 0.427 0.919 1.000 0.880 CB 1.185 26 residues pruned to eliminate duplicates Z: 11 10.514 1.675 0.653 0.893 1.000 0.700 CB 0.862 11 residues pruned to eliminate duplicates Z: 15 29.083 2.029 1.325 0.876 0.929 0.571 CA 1.290 15 residues pruned to eliminate duplicates Z: 25 17.925 1.919 0.462 0.742 0.875 0.708 CB 1.200 25 residues pruned to eliminate duplicates Z: 9 8.110 1.592 0.124 0.905 1.000 1.000 CA 1.141 Z: 17 31.905 2.213 1.021 0.673 0.938 0.625 CB 1.622 17 residues pruned to eliminate duplicates Z: 36 23.229 1.939 0.496 0.741 0.914 0.771 CB 1.194 30 residues pruned to eliminate duplicates Z: 45 31.832 1.946 0.915 0.651 0.886 0.705 CB 1.262 46 residues pruned to eliminate duplicates Z: 8 8.179 1.573 0.590 0.849 0.857 0.714 CB 1.069 8 residues pruned to eliminate duplicates Z: 36 26.324 1.937 0.682 0.755 0.971 0.571 CB 1.120 36 residues pruned to eliminate duplicates Z: 12 6.474 1.600 0.242 0.598 0.909 0.727 CB 0.984 11 residues pruned to eliminate duplicates Z: 11 16.576 1.807 0.794 0.817 1.000 0.700 CB 1.228 11 residues pruned to eliminate duplicates Z: 8 17.577 1.968 0.959 0.896 1.000 0.571 CB 1.234 8 residues pruned to eliminate duplicates Z: 36 19.029 1.923 0.313 0.735 0.943 0.743 CB 1.095 33 residues pruned to eliminate duplicates Z: 20 47.229 2.086 1.441 0.916 1.000 0.737 CB 1.503 20 residues pruned to eliminate duplicates Z: 40 28.829 1.953 0.707 0.562 0.974 0.641 CA 1.337 28 residues pruned to eliminate duplicates Z: 10 13.031 1.824 0.519 0.904 1.000 0.889 CB 1.117 10 residues pruned to eliminate duplicates Z: 12 25.084 1.990 1.031 0.895 1.000 0.545 CB 1.341 12 residues pruned to eliminate duplicates Z: 14 25.843 1.982 1.291 0.907 1.000 0.692 CB 1.122 14 residues pruned to eliminate duplicates Z: 24 33.815 2.204 0.616 0.918 1.000 0.957 CA 1.396 24 residues pruned to eliminate duplicates Z: 10 16.046 1.909 0.312 0.917 1.000 0.778 CB 1.508 10 residues pruned to eliminate duplicates Z: 13 29.609 2.222 0.994 0.854 0.833 0.750 CB 1.709 13 residues pruned to eliminate duplicates Z: 13 21.872 1.839 0.952 0.916 0.917 0.750 CB 1.356 13 residues pruned to eliminate duplicates Z: 6 5.925 1.474 0.700 0.595 0.800 0.600 C 1.208 Z: 26 29.540 1.996 0.961 0.929 0.960 0.560 CB 1.100 26 residues pruned to eliminate duplicates Z: 13 20.254 1.841 0.756 0.920 0.917 0.750 CA 1.389 13 residues pruned to eliminate duplicates Z: 18 46.003 2.227 1.258 0.912 1.000 0.765 CB 1.571 18 residues pruned to eliminate duplicates Z: 29 27.969 2.041 0.606 0.828 0.929 0.821 CB 1.309 29 residues pruned to eliminate duplicates Z: 27 33.567 1.935 0.985 0.857 1.000 0.885 CA 1.263 27 residues pruned to eliminate duplicates Z: 13 20.718 1.797 0.856 0.903 1.000 0.417 CB 1.279 13 residues pruned to eliminate duplicates Z: 21 26.926 2.023 0.443 0.919 1.000 0.900 CA 1.453 21 residues pruned to eliminate duplicates Z: 7 8.807 1.725 0.914 0.641 0.833 0.667 CA 1.145 Z: 24 33.855 2.006 1.259 0.823 0.957 0.826 CB 1.230 24 residues pruned to eliminate duplicates Z: 52 32.948 1.929 0.890 0.627 0.902 0.588 CB 1.246 52 residues pruned to eliminate duplicates Z: 8 8.437 1.767 0.924 0.721 0.714 0.286 CA 1.076 8 residues pruned to eliminate duplicates Z: 26 28.631 1.990 0.667 0.892 1.000 0.680 CB 1.240 26 residues pruned to eliminate duplicates Z: 23 17.873 1.937 0.448 0.563 1.000 0.818 CA 1.277 23 residues pruned to eliminate duplicates Z: 11 14.239 1.794 0.429 0.896 1.000 0.700 CB 1.258 11 residues pruned to eliminate duplicates Z: 12 10.127 1.701 0.356 0.725 0.909 0.636 CB 1.188 12 residues pruned to eliminate duplicates Z: 10 12.691 1.762 0.874 0.913 1.000 0.556 CB 0.907 10 residues pruned to eliminate duplicates 6 1.710 1.521 0.026 0.244 0.800 0.400 CB 0.823 ? Z: 25 26.802 1.990 0.533 0.936 1.000 0.875 CB 1.248 25 residues pruned to eliminate duplicates Z: 11 20.996 1.951 0.715 0.871 1.000 0.700 CB 1.447 13 residues pruned to eliminate duplicates Z: 34 29.698 2.006 1.056 0.577 0.879 0.576 CB 1.323 34 residues pruned to eliminate duplicates Z: 6 4.379 1.545 0.079 0.630 1.000 0.600 O 1.039 6 residues pruned to eliminate duplicates Z: 22 16.636 1.773 0.716 0.547 0.857 0.476 CB 1.330 19 residues pruned to eliminate duplicates 6 1.623 1.048 0.012 0.362 1.000 0.400 N 0.795 ? Z: 27 23.184 1.853 0.702 0.758 0.962 0.692 CB 1.192 27 residues pruned to eliminate duplicates Z: 13 20.039 1.809 0.756 0.904 1.000 0.833 CA 1.298 13 residues pruned to eliminate duplicates Z: 15 6.864 1.412 0.597 0.564 0.857 0.500 CB 0.893 8 residues pruned to eliminate duplicates Z: 14 27.804 2.045 1.549 0.896 0.923 0.308 CA 1.148 14 residues pruned to eliminate duplicates Z: 16 26.664 1.874 1.291 0.888 1.000 0.533 CA 1.155 16 residues pruned to eliminate duplicates Z: 9 7.461 1.631 0.460 0.375 0.875 0.625 C 1.446 9 residues pruned to eliminate duplicates Z: 79 51.605 2.057 0.800 0.660 0.949 0.692 CA 1.434 79 residues pruned to eliminate duplicates Z: 26 20.540 1.946 0.275 0.922 1.000 0.920 CB 1.165 26 residues pruned to eliminate duplicates Z: 12 16.847 1.903 0.841 0.872 0.818 0.545 CB 1.292 12 residues pruned to eliminate duplicates Z: 17 25.836 2.145 0.633 0.925 1.000 1.000 CA 1.294 17 residues pruned to eliminate duplicates Z: 11 7.735 1.459 0.160 0.868 1.000 0.900 CB 1.056 9 residues pruned to eliminate duplicates Z: 13 17.491 1.824 0.561 0.902 1.000 0.667 CB 1.264 13 residues pruned to eliminate duplicates Z: 14 10.385 1.593 0.411 0.843 0.923 0.846 CB 1.034 14 residues pruned to eliminate duplicates Z: 23 31.524 1.870 0.825 0.931 1.000 0.818 CB 1.377 23 residues pruned to eliminate duplicates Z: 21 21.099 2.013 0.363 0.923 1.000 0.850 CB 1.208 21 residues pruned to eliminate duplicates Z: 11 14.236 1.742 0.721 0.866 0.900 0.600 CB 1.221 11 residues pruned to eliminate duplicates Z: 28 23.914 1.959 0.969 0.574 0.889 0.333 CB 1.250 28 residues pruned to eliminate duplicates Z: 12 11.868 1.712 0.459 0.826 1.000 0.727 CB 1.080 12 residues pruned to eliminate duplicates Z: 15 28.519 1.910 1.213 0.925 1.000 0.786 CA 1.266 15 residues pruned to eliminate duplicates Z: 51 46.363 2.089 0.782 0.783 0.980 0.860 CA 1.401 51 residues pruned to eliminate duplicates Z: 13 17.626 1.814 0.677 0.803 1.000 0.750 CB 1.283 13 residues pruned to eliminate duplicates Z: 25 26.134 1.999 1.148 0.684 0.917 0.458 CB 1.145 25 residues pruned to eliminate duplicates Z: 6 5.248 1.675 0.251 0.837 0.800 0.800 CB 1.047 6 residues pruned to eliminate duplicates Z: 14 10.904 1.630 0.351 0.907 1.000 0.846 CB 0.976 13 residues pruned to eliminate duplicates Z: 16 25.358 1.946 1.310 0.865 0.933 0.733 CA 1.143 16 residues pruned to eliminate duplicates Z: 44 41.282 2.083 0.876 0.621 0.977 0.744 CA 1.471 44 residues pruned to eliminate duplicates Z: 21 34.193 2.161 0.871 0.779 0.950 0.900 CA 1.556 21 residues pruned to eliminate duplicates Z: 11 11.808 1.782 0.503 0.849 0.900 0.900 CB 1.148 11 residues pruned to eliminate duplicates 6 1.216 1.684 0.479 0.162 0.800 0.400 CB 0.412 ? Z: 11 9.860 1.684 0.356 0.857 1.000 0.900 CB 1.006 11 residues pruned to eliminate duplicates Z: 12 26.516 1.994 0.997 0.919 1.000 1.000 CB 1.415 12 residues pruned to eliminate duplicates Z: 53 42.240 2.082 0.995 0.625 0.942 0.538 CB 1.330 53 residues pruned to eliminate duplicates Z: 12 6.525 1.720 0.302 0.175 1.000 0.636 CB 1.302 9 residues pruned to eliminate duplicates Z: 6 5.048 1.647 0.554 0.491 0.800 0.800 CB 1.112 Z: 15 26.827 1.868 1.242 0.925 1.000 0.571 CB 1.201 15 residues pruned to eliminate duplicates Z: 11 6.219 1.498 0.313 0.807 0.800 0.700 CB 0.956 10 residues pruned to eliminate duplicates Z: 16 18.719 1.910 0.442 0.864 0.933 0.800 CA 1.378 16 residues pruned to eliminate duplicates Z: 14 15.894 1.977 0.393 0.880 0.923 0.846 CA 1.256 14 residues pruned to eliminate duplicates Z: 16 13.597 1.851 0.554 0.761 0.933 0.533 CB 1.037 16 residues pruned to eliminate duplicates Z: 30 16.186 1.692 0.617 0.580 0.897 0.414 CB 1.134 31 residues pruned to eliminate duplicates Z: 72 57.493 2.068 0.987 0.683 0.958 0.606 CA 1.465 72 residues pruned to eliminate duplicates Z: 62 43.242 1.953 0.933 0.714 0.951 0.803 CB 1.270 65 residues pruned to eliminate duplicates Z: 26 33.431 2.084 0.972 0.874 0.920 0.600 CB 1.287 26 residues pruned to eliminate duplicates Z: 9 13.421 1.705 0.778 0.857 0.875 0.750 N 1.318 9 residues pruned to eliminate duplicates Z: 24 28.635 2.151 0.474 0.932 1.000 1.000 CA 1.315 24 residues pruned to eliminate duplicates Z: 12 19.827 1.893 0.810 0.897 1.000 0.909 CA 1.249 12 residues pruned to eliminate duplicates Z: 11 13.475 1.787 0.496 0.872 1.000 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 21 15.719 1.941 0.789 0.365 0.850 0.350 CB 1.377 21 residues pruned to eliminate duplicates Z: 9 8.974 1.897 0.888 0.475 0.875 0.875 CB 1.038 9 residues pruned to eliminate duplicates Z: 26 34.259 2.121 1.057 0.927 0.960 0.480 CB 1.146 26 residues pruned to eliminate duplicates Z: 14 36.059 2.131 1.374 0.936 1.000 0.923 CB 1.377 14 residues pruned to eliminate duplicates Z: 17 19.786 1.912 1.156 0.627 0.938 0.312 CB 1.136 17 residues pruned to eliminate duplicates Z: 9 4.860 1.496 0.659 0.519 0.750 0.375 CB 0.906 9 residues pruned to eliminate duplicates Z: 6 10.590 1.498 0.838 0.857 1.000 1.000 CA 1.268 Z: 13 12.152 1.811 0.712 0.453 0.917 0.583 CB 1.295 13 residues pruned to eliminate duplicates Z: 55 48.595 2.123 1.040 0.630 0.981 0.741 CB 1.376 55 residues pruned to eliminate duplicates Z: 7 5.571 1.610 -0.026 0.885 1.000 1.000 CB 1.047 7 residues pruned to eliminate duplicates Z: 9 10.211 1.634 0.368 0.905 1.000 1.000 CB 1.150 12 residues pruned to eliminate duplicates Z: 13 9.014 1.605 0.579 0.873 0.917 0.583 CB 0.816 13 residues pruned to eliminate duplicates Z: 19 21.969 2.016 0.588 0.830 0.944 0.778 CB 1.287 19 residues pruned to eliminate duplicates Z: 31 13.863 1.620 0.571 0.525 0.867 0.567 CB 1.120 31 residues pruned to eliminate duplicates Z: 50 47.594 2.111 1.008 0.647 0.980 0.633 CB 1.428 50 residues pruned to eliminate duplicates Z: 26 23.736 1.944 0.579 0.894 0.960 0.840 CB 1.155 26 residues pruned to eliminate duplicates Z: 13 8.370 1.587 0.346 0.870 0.917 0.833 CB 0.900 13 residues pruned to eliminate duplicates Z: 11 7.525 1.457 0.460 0.729 0.900 0.700 CB 1.012 11 residues pruned to eliminate duplicates Z: 66 55.377 2.113 1.054 0.646 0.969 0.585 CB 1.424 63 residues pruned to eliminate duplicates Z: 11 8.213 1.497 0.177 0.892 1.000 0.900 CB 1.059 11 residues pruned to eliminate duplicates Z: 27 23.992 1.917 0.525 0.901 1.000 0.769 CB 1.149 27 residues pruned to eliminate duplicates Z: 29 26.049 1.979 1.024 0.571 0.893 0.500 CB 1.286 29 residues pruned to eliminate duplicates Z: 9 6.353 1.603 0.717 0.259 0.875 0.375 CB 1.229 6 0.812 1.095 0.289 0.299 0.800 0.400 CB 0.402 ? Z: 23 12.165 1.664 0.605 0.638 0.909 0.636 CB 0.939 23 residues pruned to eliminate duplicates 6 1.429 1.286 0.472 0.465 0.800 0.600 CB 0.437 ? Z: 6 5.387 1.439 1.320 0.414 1.000 0.400 CB 0.790 Z: 9 5.596 1.529 0.154 0.896 0.875 0.875 CB 0.918 9 residues pruned to eliminate duplicates Z: 6 2.022 1.146 -0.041 0.495 1.000 0.800 N 0.826 Z: 11 8.384 1.416 0.835 0.912 0.800 0.300 CB 0.903 11 residues pruned to eliminate duplicates Z: 15 33.279 2.089 1.117 0.850 1.000 0.714 CB 1.490 15 residues pruned to eliminate duplicates Z: 35 18.296 1.883 0.395 0.635 0.971 0.676 CB 1.084 35 residues pruned to eliminate duplicates Z: 18 37.386 2.068 1.019 0.913 1.000 0.882 CB 1.537 18 residues pruned to eliminate duplicates Z: 17 21.705 1.940 0.650 0.693 0.938 0.625 CB 1.516 12 residues pruned to eliminate duplicates Z: 25 32.137 2.143 0.722 0.923 0.958 0.792 CB 1.304 25 residues pruned to eliminate duplicates Z: 34 27.883 2.047 0.716 0.731 0.909 0.727 CB 1.235 34 residues pruned to eliminate duplicates Z: 9 13.610 1.971 1.130 0.683 0.875 0.500 CB 1.107 9 residues pruned to eliminate duplicates Z: 10 13.357 1.830 0.988 0.868 0.889 0.556 CB 1.007 10 residues pruned to eliminate duplicates Z: 10 5.892 1.597 0.281 0.326 1.000 0.556 CA 1.163 8 residues pruned to eliminate duplicates Z: 13 17.400 1.843 0.711 0.808 0.917 0.667 CB 1.329 13 residues pruned to eliminate duplicates 7 1.904 1.301 0.293 0.338 0.667 0.333 C 0.826 ? Z: 7 7.714 1.605 0.545 0.672 1.000 0.833 CA 1.084 8 residues pruned to eliminate duplicates Z: 6 2.184 1.387 0.287 0.373 0.600 0.400 C 1.044 Z: 52 49.469 1.976 1.007 0.819 1.000 0.941 CB 1.324 53 residues pruned to eliminate duplicates Z: 14 20.159 1.723 0.941 0.899 0.923 0.692 CA 1.294 14 residues pruned to eliminate duplicates Z: 36 27.604 1.936 0.998 0.567 0.857 0.629 CB 1.320 36 residues pruned to eliminate duplicates Z: 9 7.575 1.865 0.580 0.283 0.875 0.500 CB 1.326 9 residues pruned to eliminate duplicates Z: 15 15.324 1.790 0.426 0.844 0.929 0.857 CB 1.286 15 residues pruned to eliminate duplicates Z: 25 25.890 1.996 0.761 0.908 0.958 0.625 CB 1.115 25 residues pruned to eliminate duplicates Z: 11 9.310 1.810 0.704 0.443 0.800 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 20 31.632 2.104 1.174 0.713 0.895 0.632 CA 1.461 20 residues pruned to eliminate duplicates Z: 22 25.672 2.076 0.579 0.881 0.905 0.762 CB 1.368 22 residues pruned to eliminate duplicates Z: 14 17.032 1.696 0.841 0.913 1.000 0.308 CB 1.071 14 residues pruned to eliminate duplicates 408 residues left after pruning, divided into chains as follows: A: 21 B: 50 C: 53 D: 10 E: 29 F: 9 G: 99 H: 17 I: 53 J: 67 CC for partial structure against native data = 39.48 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.469, Connect. = 0.740 for dens.mod. cycle 1 = 0.300, Contrast = 0.554, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.660, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.675, Connect. = 0.798 for dens.mod. cycle 4 = 0.300, Contrast = 0.689, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.695, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.702, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.705, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.708, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 0.709, Connect. = 0.805 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2835 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 560 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 57.456 2.301 1.321 0.924 0.955 0.409 CB 1.687 B: 22 57.780 2.431 1.110 0.934 1.000 0.714 CB 1.714 23 residues pruned to eliminate duplicates C: 23 58.378 2.358 1.347 0.919 1.000 0.545 CB 1.585 23 residues pruned to eliminate duplicates D: 22 51.126 2.329 1.189 0.897 0.952 0.714 CB 1.644 22 residues pruned to eliminate duplicates E: 23 39.131 2.302 0.774 0.903 0.955 0.682 CB 1.526 23 residues pruned to eliminate duplicates F: 27 37.216 2.192 0.758 0.883 0.923 0.654 CB 1.484 G: 24 37.100 2.284 0.807 0.898 0.913 0.522 CB 1.468 24 residues pruned to eliminate duplicates H: 19 42.460 2.173 1.166 0.875 1.000 0.611 CA 1.547 I: 18 49.081 2.311 1.185 0.911 1.000 0.647 CB 1.671 18 residues pruned to eliminate duplicates J: 25 53.184 2.303 1.166 0.932 1.000 0.625 CB 1.520 25 residues pruned to eliminate duplicates K: 14 26.827 2.249 0.757 0.865 0.923 0.923 CA 1.495 L: 14 30.048 2.213 0.909 0.863 0.923 0.846 CB 1.568 14 residues pruned to eliminate duplicates M: 16 28.740 1.947 1.106 0.876 1.000 0.733 CB 1.315 N: 9 13.410 2.234 0.519 0.744 1.000 0.500 CB 1.123 9 residues pruned to eliminate duplicates O: 21 30.617 2.109 0.958 0.768 0.850 0.450 CA 1.539 21 residues pruned to eliminate duplicates P: 14 24.768 2.215 1.024 0.840 0.846 0.538 CB 1.352 14 residues pruned to eliminate duplicates Q: 25 29.899 2.258 0.299 0.924 0.958 0.875 CB 1.525 25 residues pruned to eliminate duplicates R: 23 53.585 2.401 0.918 0.925 1.000 0.864 CB 1.741 23 residues pruned to eliminate duplicates S: 14 23.788 2.107 0.621 0.613 1.000 0.769 CB 1.735 T: 19 41.161 2.211 0.969 0.944 0.944 0.611 CA 1.634 U: 25 52.133 2.245 1.243 0.921 0.958 0.500 CB 1.552 25 residues pruned to eliminate duplicates V: 13 29.460 2.346 0.770 0.883 0.917 0.833 CB 1.616 13 residues pruned to eliminate duplicates W: 17 49.893 2.248 1.382 0.943 1.000 1.000 CB 1.614 X: 16 24.000 2.055 1.151 0.848 0.867 0.667 CA 1.200 Y: 19 43.827 2.260 1.134 0.890 1.000 0.611 CA 1.541 19 residues pruned to eliminate duplicates Z: 15 19.612 2.157 0.441 0.618 0.929 0.857 CB 1.623 15 residues pruned to eliminate duplicates Z: 56 51.639 2.198 0.786 0.653 0.964 0.691 CB 1.597 36 residues pruned to eliminate duplicates Z: 19 33.472 2.086 1.061 0.822 0.944 0.778 CB 1.470 19 residues pruned to eliminate duplicates Z: 19 39.733 2.115 1.083 0.926 0.944 0.778 CB 1.579 19 residues pruned to eliminate duplicates Z: 18 51.596 2.318 1.307 0.950 1.000 0.765 CB 1.614 18 residues pruned to eliminate duplicates Z: 26 36.214 2.200 0.829 0.885 0.920 0.520 CB 1.413 26 residues pruned to eliminate duplicates Z: 18 40.501 2.160 1.326 0.894 0.941 0.647 CB 1.491 17 residues pruned to eliminate duplicates Z: 26 39.985 2.240 0.668 0.929 1.000 0.880 CB 1.497 27 residues pruned to eliminate duplicates Z: 27 32.841 2.008 0.907 0.888 0.962 0.654 CB 1.261 Z: 22 61.823 2.396 1.361 0.951 1.000 0.381 CB 1.643 25 residues pruned to eliminate duplicates Z: 13 16.441 1.907 0.654 0.830 0.917 0.917 CB 1.234 Z: 19 46.452 2.221 1.378 0.837 1.000 0.556 CB 1.551 19 residues pruned to eliminate duplicates Z: 21 46.660 2.211 1.212 0.928 1.000 0.550 CB 1.494 19 residues pruned to eliminate duplicates Z: 15 43.907 2.446 1.190 0.905 0.929 0.500 CA 1.678 15 residues pruned to eliminate duplicates Z: 25 52.511 2.315 1.096 0.895 0.958 0.792 CB 1.653 25 residues pruned to eliminate duplicates Z: 12 14.771 1.967 0.405 0.839 1.000 0.545 CB 1.204 12 residues pruned to eliminate duplicates Z: 25 38.241 2.233 0.694 0.894 0.917 0.667 CA 1.615 25 residues pruned to eliminate duplicates Z: 15 19.771 2.075 0.776 0.541 0.857 0.643 CB 1.607 15 residues pruned to eliminate duplicates Z: 16 19.567 1.944 0.694 0.830 1.000 0.800 CA 1.154 16 residues pruned to eliminate duplicates Z: 20 45.783 2.196 1.235 0.901 0.947 0.368 CB 1.612 21 residues pruned to eliminate duplicates Z: 17 47.732 2.222 1.246 0.938 1.000 0.688 CB 1.662 18 residues pruned to eliminate duplicates Z: 18 46.647 2.203 1.206 0.908 1.000 0.529 CB 1.653 18 residues pruned to eliminate duplicates Z: 23 55.066 2.363 1.214 0.906 1.000 0.545 CB 1.597 23 residues pruned to eliminate duplicates Z: 23 30.246 2.162 0.686 0.889 0.909 0.682 CB 1.401 23 residues pruned to eliminate duplicates Z: 19 44.241 2.209 1.206 0.913 1.000 0.889 CA 1.514 19 residues pruned to eliminate duplicates Z: 21 44.016 2.204 0.998 0.933 1.000 0.650 CB 1.560 21 residues pruned to eliminate duplicates Z: 23 47.985 2.308 1.188 0.884 0.909 0.545 CB 1.610 23 residues pruned to eliminate duplicates Z: 13 21.217 1.965 1.170 0.804 0.833 0.667 CB 1.321 Z: 25 40.143 2.311 0.698 0.904 0.958 0.917 CA 1.552 25 residues pruned to eliminate duplicates Z: 19 44.136 2.260 1.005 0.920 1.000 0.611 CA 1.617 19 residues pruned to eliminate duplicates Z: 15 26.418 2.095 0.859 0.855 0.929 0.857 CA 1.440 15 residues pruned to eliminate duplicates Z: 10 14.953 2.146 0.345 0.921 1.000 1.000 CB 1.215 11 residues pruned to eliminate duplicates Z: 15 29.531 2.019 1.008 0.892 1.000 0.857 CA 1.399 16 residues pruned to eliminate duplicates Z: 14 30.312 2.201 1.212 0.845 0.923 0.692 CB 1.391 15 residues pruned to eliminate duplicates Z: 22 64.740 2.479 1.416 0.939 0.952 0.667 CB 1.722 22 residues pruned to eliminate duplicates Z: 15 31.994 2.312 0.591 0.956 1.000 0.929 CB 1.596 15 residues pruned to eliminate duplicates Z: 19 45.692 2.236 1.217 0.891 1.000 0.833 CB 1.561 19 residues pruned to eliminate duplicates Z: 15 29.122 2.074 0.890 0.909 1.000 0.786 CB 1.409 15 residues pruned to eliminate duplicates Z: 16 22.253 1.920 0.980 0.828 0.933 0.800 CA 1.220 16 residues pruned to eliminate duplicates Z: 17 47.281 2.295 1.056 0.936 1.000 1.000 CA 1.744 17 residues pruned to eliminate duplicates Z: 15 24.487 2.080 0.681 0.901 0.929 0.786 CA 1.438 15 residues pruned to eliminate duplicates Z: 14 26.640 2.190 1.170 0.903 0.923 0.846 CA 1.201 14 residues pruned to eliminate duplicates Z: 25 47.032 2.311 0.895 0.935 1.000 0.875 CB 1.528 25 residues pruned to eliminate duplicates Z: 27 28.963 2.008 0.667 0.888 0.923 0.731 CB 1.324 27 residues pruned to eliminate duplicates Z: 27 43.932 2.190 0.934 0.858 0.962 0.846 CB 1.557 16 residues pruned to eliminate duplicates Z: 17 46.193 2.253 1.177 0.940 1.000 0.938 CB 1.635 17 residues pruned to eliminate duplicates Z: 13 28.031 2.034 1.161 0.892 0.917 0.833 CB 1.442 12 residues pruned to eliminate duplicates Z: 21 40.649 2.119 1.045 0.927 0.950 0.500 CB 1.548 21 residues pruned to eliminate duplicates Z: 15 26.091 2.002 1.306 0.904 0.929 0.786 CA 1.159 15 residues pruned to eliminate duplicates Z: 10 19.501 2.216 0.679 0.912 1.000 1.000 CB 1.238 10 residues pruned to eliminate duplicates Z: 20 38.989 2.156 1.087 0.879 0.947 0.526 CB 1.522 19 residues pruned to eliminate duplicates Z: 26 47.343 2.214 1.122 0.945 0.960 0.560 CB 1.453 26 residues pruned to eliminate duplicates Z: 18 39.711 2.191 0.942 0.909 1.000 0.706 CB 1.606 18 residues pruned to eliminate duplicates Z: 14 27.430 2.130 1.504 0.899 0.769 0.692 CA 1.326 14 residues pruned to eliminate duplicates Z: 18 39.703 2.173 1.010 0.915 1.000 0.765 CA 1.558 18 residues pruned to eliminate duplicates Z: 17 38.647 2.244 0.852 0.904 1.000 0.938 CA 1.655 17 residues pruned to eliminate duplicates Z: 15 26.738 2.168 1.065 0.850 0.786 0.714 CB 1.504 15 residues pruned to eliminate duplicates Z: 25 44.568 2.273 0.983 0.930 0.958 0.625 CB 1.473 25 residues pruned to eliminate duplicates Z: 13 44.731 2.257 1.471 0.899 0.917 0.417 CB 1.806 13 residues pruned to eliminate duplicates Z: 20 34.706 2.183 0.736 0.939 0.947 0.842 CA 1.541 20 residues pruned to eliminate duplicates Z: 14 17.236 1.916 0.670 0.812 0.923 0.769 CB 1.234 13 residues pruned to eliminate duplicates Z: 14 21.690 2.139 0.557 0.908 0.923 0.692 CA 1.389 14 residues pruned to eliminate duplicates Z: 19 41.533 2.176 1.244 0.898 0.944 0.556 CB 1.519 19 residues pruned to eliminate duplicates Z: 15 24.942 2.028 0.728 0.887 1.000 0.786 CA 1.371 15 residues pruned to eliminate duplicates Z: 16 24.903 1.942 0.878 0.898 1.000 0.867 CA 1.262 16 residues pruned to eliminate duplicates Z: 27 40.322 2.103 1.198 0.823 0.962 0.731 CB 1.345 29 residues pruned to eliminate duplicates Z: 40 37.173 2.153 0.709 0.624 0.974 0.744 CB 1.476 40 residues pruned to eliminate duplicates Z: 13 24.317 2.174 0.582 0.876 1.000 0.917 CB 1.483 13 residues pruned to eliminate duplicates Z: 23 53.315 2.361 1.060 0.918 1.000 0.636 CB 1.648 23 residues pruned to eliminate duplicates Z: 26 29.484 2.020 0.686 0.864 0.960 0.600 CB 1.323 26 residues pruned to eliminate duplicates Z: 56 52.382 2.226 0.814 0.643 0.945 0.745 CB 1.618 56 residues pruned to eliminate duplicates Z: 19 43.330 2.240 1.190 0.878 0.944 0.667 CB 1.600 20 residues pruned to eliminate duplicates Z: 26 42.574 2.194 0.948 0.933 0.960 0.720 CB 1.448 26 residues pruned to eliminate duplicates Z: 20 39.813 2.216 1.038 0.798 1.000 0.737 CB 1.558 20 residues pruned to eliminate duplicates Z: 16 19.355 1.944 0.352 0.889 1.000 0.933 CA 1.369 Z: 21 40.481 2.129 1.036 0.885 0.950 0.500 CB 1.587 21 residues pruned to eliminate duplicates Z: 27 28.483 2.003 0.768 0.870 0.885 0.538 CB 1.302 27 residues pruned to eliminate duplicates Z: 17 26.776 2.000 0.855 0.844 0.875 0.562 CB 1.534 16 residues pruned to eliminate duplicates Z: 15 26.057 1.947 0.756 0.891 1.000 0.857 CB 1.464 15 residues pruned to eliminate duplicates Z: 27 22.999 1.964 0.193 0.923 1.000 0.923 CA 1.354 27 residues pruned to eliminate duplicates Z: 25 36.688 2.244 0.562 0.901 1.000 0.792 CB 1.525 25 residues pruned to eliminate duplicates Z: 25 31.120 2.216 0.401 0.918 0.958 0.875 CA 1.506 25 residues pruned to eliminate duplicates Z: 21 49.405 2.185 1.314 0.917 1.000 0.300 CB 1.542 22 residues pruned to eliminate duplicates Z: 25 37.767 2.256 0.803 0.906 0.917 0.833 CB 1.471 25 residues pruned to eliminate duplicates Z: 21 39.628 2.160 0.795 0.932 1.000 0.850 CA 1.596 21 residues pruned to eliminate duplicates Z: 15 24.307 2.197 0.835 0.861 0.857 0.786 CB 1.381 15 residues pruned to eliminate duplicates Z: 12 14.795 1.863 0.390 0.830 1.000 0.818 CB 1.295 Z: 11 15.126 1.905 0.318 0.910 1.000 0.800 CB 1.351 Z: 16 20.475 2.046 0.317 0.906 1.000 0.867 CA 1.395 16 residues pruned to eliminate duplicates Z: 20 39.638 2.114 1.251 0.873 0.947 0.579 CA 1.469 20 residues pruned to eliminate duplicates Z: 12 16.150 2.010 0.252 0.883 1.000 0.909 CB 1.398 12 residues pruned to eliminate duplicates Z: 20 32.488 2.164 0.965 0.806 0.895 0.579 CA 1.500 20 residues pruned to eliminate duplicates Z: 18 36.217 2.190 1.096 0.859 0.941 0.647 CB 1.496 18 residues pruned to eliminate duplicates Z: 25 38.723 2.266 0.749 0.899 0.958 0.625 CB 1.488 25 residues pruned to eliminate duplicates Z: 21 30.592 2.159 0.503 0.930 0.950 0.800 CA 1.552 21 residues pruned to eliminate duplicates Z: 14 20.611 1.817 1.027 0.837 0.923 0.769 CB 1.258 14 residues pruned to eliminate duplicates Z: 26 37.308 2.248 0.692 0.923 0.960 0.760 CB 1.437 26 residues pruned to eliminate duplicates Z: 21 32.701 2.116 0.565 0.921 1.000 0.850 CA 1.553 21 residues pruned to eliminate duplicates Z: 27 27.145 1.976 0.408 0.898 1.000 0.885 CA 1.369 27 residues pruned to eliminate duplicates Z: 6 5.448 1.849 -0.189 0.734 1.000 0.800 CB 1.318 Z: 6 8.840 2.161 -0.168 0.886 1.000 1.000 CB 1.586 6 residues pruned to eliminate duplicates Z: 16 28.011 2.047 0.864 0.879 0.933 0.867 CB 1.472 16 residues pruned to eliminate duplicates Z: 14 19.213 2.104 0.261 0.918 0.923 0.846 CB 1.534 14 residues pruned to eliminate duplicates Z: 16 30.990 2.043 1.265 0.894 0.933 0.467 CA 1.329 16 residues pruned to eliminate duplicates Z: 16 21.366 2.039 0.341 0.882 1.000 0.933 CA 1.459 16 residues pruned to eliminate duplicates Z: 26 33.505 2.155 0.502 0.909 1.000 0.840 CA 1.470 26 residues pruned to eliminate duplicates Z: 14 31.081 2.209 1.194 0.884 0.923 0.769 CB 1.393 14 residues pruned to eliminate duplicates Z: 14 22.797 1.977 0.855 0.896 0.923 0.923 CB 1.338 15 residues pruned to eliminate duplicates Z: 21 37.287 2.190 0.862 0.867 0.950 0.900 CA 1.574 18 residues pruned to eliminate duplicates Z: 27 29.522 2.010 0.767 0.849 0.923 0.654 CB 1.309 27 residues pruned to eliminate duplicates Z: 12 14.993 1.818 0.285 0.910 1.000 0.818 CB 1.372 11 residues pruned to eliminate duplicates Z: 20 31.780 2.093 0.911 0.872 1.000 0.684 CA 1.328 20 residues pruned to eliminate duplicates Z: 9 9.947 1.697 0.359 0.762 1.000 0.500 CB 1.208 9 residues pruned to eliminate duplicates Z: 11 16.610 1.913 0.739 0.883 0.900 0.800 CA 1.269 11 residues pruned to eliminate duplicates Z: 9 17.590 1.957 0.525 0.885 1.000 1.000 CB 1.505 11 residues pruned to eliminate duplicates Z: 8 16.218 2.088 0.615 0.717 1.000 1.000 CB 1.493 8 residues pruned to eliminate duplicates Z: 27 36.547 2.200 0.859 0.880 0.923 0.654 CB 1.375 27 residues pruned to eliminate duplicates Z: 26 28.979 1.970 0.815 0.878 0.920 0.760 CB 1.279 26 residues pruned to eliminate duplicates Z: 18 48.932 2.285 1.244 0.930 1.000 0.882 CA 1.619 21 residues pruned to eliminate duplicates Z: 14 6.615 1.981 0.558 0.221 0.692 0.231 CB 1.192 Z: 14 36.299 2.217 1.126 0.901 0.923 0.462 CB 1.653 14 residues pruned to eliminate duplicates Z: 13 31.280 2.196 1.339 0.918 0.917 0.833 CA 1.353 15 residues pruned to eliminate duplicates Z: 25 33.565 2.256 0.369 0.920 1.000 0.917 CA 1.563 25 residues pruned to eliminate duplicates Z: 14 23.566 2.136 0.696 0.886 0.923 0.923 CB 1.410 14 residues pruned to eliminate duplicates Z: 14 38.584 2.237 1.440 0.928 0.923 0.769 CA 1.487 14 residues pruned to eliminate duplicates Z: 17 17.302 1.883 0.267 0.874 0.938 0.875 CB 1.408 18 residues pruned to eliminate duplicates Z: 16 24.760 2.036 0.607 0.876 0.933 0.867 CB 1.522 16 residues pruned to eliminate duplicates Z: 11 14.078 2.030 0.689 0.433 1.000 0.500 CB 1.391 Z: 19 39.617 2.180 1.058 0.921 1.000 0.889 CA 1.464 19 residues pruned to eliminate duplicates Z: 16 26.301 2.052 0.637 0.896 0.933 0.933 CB 1.552 16 residues pruned to eliminate duplicates Z: 12 22.894 1.994 0.990 0.834 1.000 0.818 CB 1.304 11 residues pruned to eliminate duplicates Z: 12 16.407 1.961 0.682 0.819 1.000 0.909 CB 1.138 12 residues pruned to eliminate duplicates Z: 15 31.842 2.117 0.994 0.866 1.000 0.857 CA 1.475 15 residues pruned to eliminate duplicates Z: 17 40.583 2.247 0.902 0.938 1.000 1.000 CA 1.651 17 residues pruned to eliminate duplicates Z: 27 35.433 2.017 0.916 0.910 0.923 0.654 CB 1.381 27 residues pruned to eliminate duplicates Z: 16 31.742 2.029 0.877 0.886 1.000 0.733 CA 1.553 16 residues pruned to eliminate duplicates Z: 17 44.476 2.220 1.089 0.899 1.000 0.688 CB 1.714 17 residues pruned to eliminate duplicates Z: 15 23.123 1.966 0.702 0.919 1.000 0.857 CA 1.302 15 residues pruned to eliminate duplicates Z: 15 26.937 2.077 0.846 0.922 0.929 0.786 CB 1.423 15 residues pruned to eliminate duplicates Z: 16 25.204 1.998 0.515 0.897 1.000 1.000 CB 1.540 16 residues pruned to eliminate duplicates Z: 9 9.166 1.899 0.602 0.537 0.875 0.625 CB 1.174 Z: 15 26.915 2.072 0.796 0.909 0.929 0.643 CB 1.478 15 residues pruned to eliminate duplicates Z: 27 32.750 2.004 0.945 0.879 0.923 0.731 CB 1.294 27 residues pruned to eliminate duplicates Z: 56 59.364 2.238 1.026 0.680 0.964 0.691 CA 1.553 57 residues pruned to eliminate duplicates Z: 11 19.521 1.905 0.656 0.918 1.000 0.900 CA 1.380 11 residues pruned to eliminate duplicates Z: 25 36.874 2.100 0.940 0.925 0.958 0.750 CB 1.353 25 residues pruned to eliminate duplicates Z: 27 19.834 1.980 0.215 0.859 0.923 0.885 CB 1.290 27 residues pruned to eliminate duplicates Z: 16 43.923 2.245 1.108 0.926 1.000 0.867 CA 1.680 16 residues pruned to eliminate duplicates Z: 18 23.872 2.217 0.270 0.908 0.941 0.824 CB 1.551 18 residues pruned to eliminate duplicates Z: 27 30.624 2.000 0.557 0.917 1.000 0.885 CB 1.361 27 residues pruned to eliminate duplicates Z: 13 19.812 2.013 0.566 0.930 0.917 0.833 CB 1.384 14 residues pruned to eliminate duplicates Z: 6 4.426 1.861 -0.402 0.797 1.000 1.000 CB 1.370 6 residues pruned to eliminate duplicates Z: 12 15.599 1.861 0.627 0.891 1.000 0.545 CB 1.117 Z: 6 2.958 1.520 -0.189 0.499 1.000 0.600 CB 1.074 Z: 16 29.726 2.008 1.075 0.888 0.933 0.533 CB 1.422 16 residues pruned to eliminate duplicates Z: 13 18.666 1.900 0.538 0.890 1.000 0.667 CB 1.327 13 residues pruned to eliminate duplicates Z: 40 37.814 2.136 0.843 0.577 0.949 0.718 CB 1.506 40 residues pruned to eliminate duplicates Z: 11 14.790 1.889 0.453 0.778 1.000 0.600 CB 1.334 11 residues pruned to eliminate duplicates Z: 18 46.976 2.290 1.223 0.885 1.000 0.941 CA 1.616 18 residues pruned to eliminate duplicates Z: 11 15.464 1.936 0.542 0.867 1.000 0.600 CB 1.198 11 residues pruned to eliminate duplicates Z: 44 33.693 2.087 0.795 0.603 0.884 0.581 CB 1.408 36 residues pruned to eliminate duplicates Z: 13 15.724 1.759 0.908 0.759 1.000 0.917 CA 1.074 13 residues pruned to eliminate duplicates Z: 8 11.114 1.992 0.456 0.705 0.857 0.714 CA 1.403 8 residues pruned to eliminate duplicates Z: 14 24.066 2.110 0.803 0.804 0.923 0.769 CB 1.458 14 residues pruned to eliminate duplicates Z: 26 25.089 2.024 0.314 0.900 1.000 0.880 CB 1.347 26 residues pruned to eliminate duplicates Z: 11 12.903 1.836 0.636 0.753 1.000 0.800 CB 1.084 11 residues pruned to eliminate duplicates Z: 12 16.046 1.874 0.511 0.880 1.000 0.636 CB 1.238 12 residues pruned to eliminate duplicates Z: 14 34.852 2.184 1.341 0.937 1.000 0.769 CB 1.315 14 residues pruned to eliminate duplicates Z: 8 4.722 1.737 0.061 0.379 0.714 0.571 CB 1.543 Z: 14 33.640 2.231 1.269 0.876 1.000 0.692 CB 1.339 14 residues pruned to eliminate duplicates Z: 13 15.960 2.047 0.462 0.886 1.000 0.917 CA 1.110 13 residues pruned to eliminate duplicates Z: 19 47.024 2.256 1.154 0.924 0.944 0.667 CB 1.695 19 residues pruned to eliminate duplicates Z: 15 9.968 1.916 0.587 0.360 0.643 0.500 CB 1.586 15 residues pruned to eliminate duplicates Z: 25 34.362 2.067 0.890 0.907 0.958 0.625 CB 1.332 25 residues pruned to eliminate duplicates Z: 15 32.163 2.032 1.134 0.909 1.000 0.714 CA 1.407 15 residues pruned to eliminate duplicates Z: 11 23.597 1.966 1.085 0.906 1.000 0.900 CB 1.294 12 residues pruned to eliminate duplicates Z: 18 19.421 2.008 0.137 0.867 1.000 0.588 CB 1.510 18 residues pruned to eliminate duplicates Z: 10 8.819 1.744 0.552 0.713 0.778 0.667 CB 1.151 10 residues pruned to eliminate duplicates Z: 19 40.070 2.213 1.143 0.911 0.944 0.667 CA 1.495 19 residues pruned to eliminate duplicates Z: 21 27.908 2.077 0.472 0.904 0.950 0.850 CA 1.530 21 residues pruned to eliminate duplicates Z: 16 30.743 1.999 1.245 0.871 0.933 0.733 CA 1.383 15 residues pruned to eliminate duplicates Z: 12 17.973 1.848 0.712 0.871 1.000 0.909 CB 1.249 12 residues pruned to eliminate duplicates Z: 12 39.435 2.403 1.002 0.880 1.000 0.727 CA 1.792 12 residues pruned to eliminate duplicates Z: 26 30.095 1.956 0.717 0.898 0.960 0.720 CB 1.336 26 residues pruned to eliminate duplicates Z: 28 40.385 2.289 0.891 0.602 1.000 0.704 CA 1.630 28 residues pruned to eliminate duplicates Z: 13 17.566 1.786 0.725 0.910 1.000 0.833 CB 1.168 12 residues pruned to eliminate duplicates Z: 12 31.191 2.207 1.020 0.895 1.000 0.909 CB 1.512 12 residues pruned to eliminate duplicates Z: 26 30.992 2.172 0.389 0.909 1.000 0.920 CB 1.457 26 residues pruned to eliminate duplicates Z: 13 30.813 2.258 0.841 0.933 0.917 0.833 CB 1.629 13 residues pruned to eliminate duplicates Z: 10 15.955 1.798 0.646 0.865 1.000 0.889 CA 1.316 10 residues pruned to eliminate duplicates Z: 14 27.756 2.187 0.954 0.888 0.923 0.769 CB 1.406 14 residues pruned to eliminate duplicates Z: 36 42.284 2.226 0.938 0.606 0.943 0.771 CA 1.588 36 residues pruned to eliminate duplicates Z: 11 16.765 1.933 0.426 0.890 1.000 0.800 CA 1.383 11 residues pruned to eliminate duplicates Z: 27 27.969 1.976 0.648 0.866 0.923 0.808 CB 1.335 27 residues pruned to eliminate duplicates Z: 19 36.587 2.204 1.033 0.868 0.944 0.778 CA 1.489 19 residues pruned to eliminate duplicates Z: 20 15.467 2.031 -0.083 0.922 1.000 0.947 CA 1.340 20 residues pruned to eliminate duplicates Z: 12 18.149 1.989 0.698 0.874 0.909 0.636 CB 1.296 12 residues pruned to eliminate duplicates Z: 11 13.408 1.857 0.359 0.893 1.000 1.000 CB 1.206 11 residues pruned to eliminate duplicates Z: 7 12.489 1.856 0.646 0.882 1.000 0.833 CB 1.208 7 residues pruned to eliminate duplicates Z: 12 4.718 1.754 -0.025 0.195 0.909 0.455 CB 1.316 Z: 26 29.049 2.041 0.672 0.885 0.920 0.680 CB 1.336 26 residues pruned to eliminate duplicates Z: 24 33.477 2.271 0.468 0.933 1.000 0.957 CA 1.460 24 residues pruned to eliminate duplicates Z: 16 33.030 2.102 1.228 0.892 1.000 0.800 CA 1.309 16 residues pruned to eliminate duplicates Z: 11 21.295 1.998 0.869 0.933 1.000 1.000 CB 1.258 11 residues pruned to eliminate duplicates Z: 27 29.336 1.995 0.565 0.888 1.000 0.808 CB 1.328 27 residues pruned to eliminate duplicates Z: 13 21.293 1.993 0.661 0.913 1.000 0.750 CB 1.313 13 residues pruned to eliminate duplicates Z: 11 13.891 1.979 0.285 0.917 1.000 0.900 CA 1.219 11 residues pruned to eliminate duplicates Z: 8 3.496 1.550 0.548 0.241 0.571 0.429 CA 1.299 Z: 14 30.116 2.329 1.000 0.854 0.923 0.615 CB 1.434 14 residues pruned to eliminate duplicates Z: 16 33.697 1.973 1.370 0.867 1.000 0.600 CB 1.361 15 residues pruned to eliminate duplicates Z: 53 38.661 2.059 0.731 0.656 0.962 0.712 CB 1.352 44 residues pruned to eliminate duplicates Z: 15 21.960 2.022 0.727 0.907 0.929 0.786 CB 1.287 15 residues pruned to eliminate duplicates Z: 10 9.645 1.720 0.157 0.917 1.000 1.000 CB 1.140 Z: 15 28.886 2.050 1.167 0.888 0.929 0.714 CB 1.348 15 residues pruned to eliminate duplicates Z: 15 18.146 1.782 0.837 0.868 0.929 0.857 CB 1.167 Z: 19 37.001 2.240 0.809 0.921 1.000 0.833 CA 1.516 19 residues pruned to eliminate duplicates Z: 14 36.553 2.248 1.164 0.912 1.000 0.615 CA 1.476 14 residues pruned to eliminate duplicates Z: 9 7.468 1.584 0.225 0.792 0.875 0.625 CB 1.203 9 residues pruned to eliminate duplicates Z: 6 7.315 1.508 0.971 0.794 0.800 0.600 CB 1.063 6 residues pruned to eliminate duplicates Z: 16 14.332 1.753 0.484 0.878 0.933 0.933 CB 1.106 16 residues pruned to eliminate duplicates Z: 12 14.082 1.809 0.373 0.851 0.909 0.727 CB 1.391 12 residues pruned to eliminate duplicates Z: 23 48.245 2.291 1.069 0.873 0.955 0.773 CB 1.656 23 residues pruned to eliminate duplicates Z: 27 25.962 1.986 0.462 0.859 0.962 0.808 CB 1.341 27 residues pruned to eliminate duplicates Z: 9 3.678 1.570 0.447 0.297 0.750 0.500 CB 0.957 9 residues pruned to eliminate duplicates Z: 50 59.718 2.271 1.021 0.723 0.959 0.776 CA 1.584 48 residues pruned to eliminate duplicates Z: 11 17.916 1.812 0.909 0.905 1.000 0.400 CB 1.166 11 residues pruned to eliminate duplicates Z: 23 41.684 2.307 0.727 0.930 1.000 0.864 CB 1.560 23 residues pruned to eliminate duplicates Z: 24 29.531 2.227 0.359 0.939 1.000 0.913 CA 1.415 24 residues pruned to eliminate duplicates Z: 16 16.471 1.728 0.584 0.862 1.000 0.867 CB 1.141 16 residues pruned to eliminate duplicates Z: 12 22.556 1.989 0.769 0.889 1.000 0.818 CB 1.391 12 residues pruned to eliminate duplicates Z: 27 45.681 2.163 1.167 0.929 0.962 0.615 CB 1.392 27 residues pruned to eliminate duplicates Z: 6 2.783 1.560 0.898 0.298 0.600 0.400 CB 0.878 Z: 13 17.394 1.826 0.745 0.901 0.917 0.833 CB 1.228 13 residues pruned to eliminate duplicates Z: 7 8.374 1.580 0.599 0.642 1.000 0.833 CB 1.185 Z: 24 39.409 2.290 1.023 0.810 0.913 0.435 CB 1.483 24 residues pruned to eliminate duplicates Z: 16 11.398 2.063 0.780 0.246 0.800 0.400 CB 1.343 17 residues pruned to eliminate duplicates Z: 11 5.706 1.701 0.482 0.270 0.900 0.200 CB 1.033 11 residues pruned to eliminate duplicates Z: 20 37.509 2.202 0.752 0.935 1.000 0.789 CA 1.555 20 residues pruned to eliminate duplicates Z: 14 37.236 2.226 1.420 0.931 0.923 0.769 CA 1.451 15 residues pruned to eliminate duplicates Z: 11 23.019 1.993 0.885 0.920 1.000 0.900 CB 1.365 11 residues pruned to eliminate duplicates Z: 6 10.076 1.962 0.989 0.474 1.000 0.400 CB 1.185 6 residues pruned to eliminate duplicates Z: 27 34.479 2.030 0.762 0.918 1.000 0.692 CB 1.334 27 residues pruned to eliminate duplicates Z: 103 75.357 2.195 0.957 0.696 0.951 0.569 CB 1.527 104 residues pruned to eliminate duplicates Z: 13 18.341 1.848 0.665 0.903 0.917 0.750 CB 1.338 13 residues pruned to eliminate duplicates Z: 16 23.967 1.942 0.794 0.931 1.000 0.933 CA 1.241 16 residues pruned to eliminate duplicates Z: 9 8.096 1.737 0.540 0.810 0.875 0.750 CB 0.934 9 residues pruned to eliminate duplicates Z: 21 20.309 2.084 0.729 0.564 0.850 0.750 CA 1.394 21 residues pruned to eliminate duplicates Z: 6 4.117 1.547 0.199 0.607 0.800 0.400 CA 1.121 4 residues pruned to eliminate duplicates Z: 11 19.739 1.961 0.753 0.890 0.900 0.800 CA 1.451 10 residues pruned to eliminate duplicates Z: 6 7.090 1.650 0.192 0.834 1.000 0.600 CA 1.208 6 residues pruned to eliminate duplicates Z: 42 34.271 2.178 0.652 0.533 0.927 0.634 CB 1.554 42 residues pruned to eliminate duplicates Z: 54 16.589 1.704 0.379 0.478 0.868 0.415 CB 1.142 35 residues pruned to eliminate duplicates Z: 23 12.944 1.736 0.460 0.589 0.773 0.409 CA 1.293 23 residues pruned to eliminate duplicates Z: 13 41.011 2.275 1.375 0.920 1.000 0.667 CB 1.543 13 residues pruned to eliminate duplicates Z: 30 19.824 1.792 0.537 0.724 0.862 0.517 CB 1.266 26 residues pruned to eliminate duplicates Z: 30 43.404 2.238 0.726 0.810 1.000 0.897 CA 1.593 30 residues pruned to eliminate duplicates Z: 15 16.163 1.802 0.629 0.866 0.929 0.714 CB 1.160 15 residues pruned to eliminate duplicates Z: 19 40.175 2.241 0.856 0.916 1.000 0.833 CA 1.608 19 residues pruned to eliminate duplicates Z: 26 31.828 2.022 0.848 0.863 0.920 0.720 CB 1.359 26 residues pruned to eliminate duplicates Z: 70 59.212 2.192 0.804 0.709 0.971 0.681 CB 1.536 70 residues pruned to eliminate duplicates Z: 13 15.168 1.799 0.588 0.915 1.000 0.833 CB 1.083 13 residues pruned to eliminate duplicates Z: 27 40.565 2.147 1.069 0.873 0.923 0.462 CB 1.413 27 residues pruned to eliminate duplicates Z: 9 21.140 1.929 0.871 0.909 1.000 0.500 CB 1.469 10 residues pruned to eliminate duplicates Z: 34 21.491 1.887 0.320 0.748 0.939 0.758 CB 1.282 34 residues pruned to eliminate duplicates Z: 15 25.583 1.950 1.039 0.901 0.929 0.857 CA 1.322 15 residues pruned to eliminate duplicates Z: 70 62.361 2.209 0.882 0.685 0.986 0.681 CB 1.546 70 residues pruned to eliminate duplicates Z: 46 32.820 2.016 0.806 0.620 0.889 0.489 CB 1.349 46 residues pruned to eliminate duplicates Z: 11 14.402 1.876 0.446 0.858 0.900 0.300 CB 1.374 11 residues pruned to eliminate duplicates Z: 26 30.740 2.069 0.653 0.922 0.960 0.760 CB 1.317 26 residues pruned to eliminate duplicates Z: 11 25.760 2.015 0.939 0.905 1.000 0.500 CB 1.484 13 residues pruned to eliminate duplicates Z: 47 12.688 1.709 0.342 0.432 0.804 0.370 CB 1.087 47 residues pruned to eliminate duplicates Z: 20 15.196 1.826 0.514 0.574 0.895 0.684 CA 1.312 15 residues pruned to eliminate duplicates Z: 15 17.538 1.767 0.811 0.851 0.929 0.643 CB 1.167 15 residues pruned to eliminate duplicates Z: 18 41.733 2.139 1.045 0.935 1.000 0.824 CA 1.613 26 residues pruned to eliminate duplicates Z: 79 50.045 2.032 0.802 0.651 0.897 0.628 CA 1.498 73 residues pruned to eliminate duplicates Z: 9 12.379 1.987 0.378 0.902 0.750 0.500 CB 1.520 9 residues pruned to eliminate duplicates Z: 7 2.182 1.532 0.418 0.142 0.667 0.167 CB 0.957 Z: 13 17.140 1.810 0.793 0.889 0.917 0.750 CA 1.197 13 residues pruned to eliminate duplicates Z: 13 25.815 1.994 1.037 0.875 1.000 0.417 CB 1.335 17 residues pruned to eliminate duplicates Z: 7 9.248 2.107 0.362 0.406 1.000 0.500 CB 1.452 Z: 16 12.939 1.644 0.371 0.855 0.933 0.800 CB 1.171 16 residues pruned to eliminate duplicates Z: 15 16.804 1.709 0.814 0.884 0.929 0.786 CB 1.127 15 residues pruned to eliminate duplicates Z: 11 16.088 1.917 0.488 0.897 0.900 0.700 CB 1.419 11 residues pruned to eliminate duplicates Z: 26 34.431 2.206 0.505 0.907 1.000 0.880 CA 1.475 26 residues pruned to eliminate duplicates Z: 10 9.046 1.710 0.135 0.913 1.000 0.667 CB 1.100 10 residues pruned to eliminate duplicates Z: 27 13.506 1.607 0.470 0.548 0.846 0.692 CB 1.264 27 residues pruned to eliminate duplicates Z: 16 16.475 1.747 0.830 0.837 0.933 0.733 CB 1.067 16 residues pruned to eliminate duplicates Z: 24 48.350 2.257 1.129 0.887 1.000 0.609 CB 1.512 24 residues pruned to eliminate duplicates Z: 17 50.282 2.355 1.258 0.920 1.000 0.938 CB 1.665 17 residues pruned to eliminate duplicates Z: 10 12.893 1.939 0.418 0.793 0.778 0.667 CB 1.554 10 residues pruned to eliminate duplicates Z: 9 11.314 1.744 0.372 0.905 1.000 0.500 CB 1.190 9 residues pruned to eliminate duplicates Z: 12 9.732 1.554 0.366 0.848 1.000 0.909 CB 1.025 12 residues pruned to eliminate duplicates Z: 6 5.509 1.390 0.319 0.877 1.000 0.800 CB 0.976 Z: 9 5.624 1.316 0.594 0.521 1.000 0.375 CB 0.929 9 residues pruned to eliminate duplicates Z: 34 36.830 2.184 0.899 0.730 0.848 0.515 CB 1.481 33 residues pruned to eliminate duplicates Z: 15 18.339 1.811 0.631 0.889 1.000 0.929 CB 1.195 15 residues pruned to eliminate duplicates Z: 13 16.067 1.833 0.668 0.870 0.833 0.750 CA 1.329 13 residues pruned to eliminate duplicates Z: 18 20.864 1.912 0.939 0.758 0.941 0.706 CB 1.153 18 residues pruned to eliminate duplicates Z: 15 18.367 1.819 0.703 0.896 0.929 0.786 CB 1.222 15 residues pruned to eliminate duplicates Z: 26 30.195 1.988 0.913 0.671 0.960 0.840 CB 1.412 26 residues pruned to eliminate duplicates Z: 9 9.125 1.913 0.395 0.793 0.750 0.500 CA 1.247 9 residues pruned to eliminate duplicates Z: 16 19.985 1.879 0.925 0.656 0.933 0.533 CB 1.322 16 residues pruned to eliminate duplicates Z: 64 67.937 2.233 0.956 0.744 0.984 0.778 CA 1.601 64 residues pruned to eliminate duplicates Z: 12 17.811 1.906 0.668 0.919 0.909 0.909 CB 1.310 12 residues pruned to eliminate duplicates Z: 9 8.802 1.711 0.062 0.893 1.000 0.875 CB 1.231 9 residues pruned to eliminate duplicates Z: 29 11.903 1.697 0.305 0.563 0.893 0.429 CB 1.070 29 residues pruned to eliminate duplicates Z: 35 22.961 1.966 0.370 0.739 0.912 0.765 CB 1.294 35 residues pruned to eliminate duplicates Z: 18 38.519 2.298 0.944 0.900 0.941 0.882 CA 1.587 18 residues pruned to eliminate duplicates Z: 36 26.574 1.993 0.463 0.741 0.943 0.771 CB 1.317 36 residues pruned to eliminate duplicates Z: 11 8.927 1.572 0.223 0.880 1.000 0.800 CB 1.064 11 residues pruned to eliminate duplicates Z: 14 20.144 1.966 0.747 0.785 0.846 0.385 CA 1.496 14 residues pruned to eliminate duplicates Z: 26 26.491 1.996 0.361 0.900 1.000 0.880 CA 1.393 26 residues pruned to eliminate duplicates Z: 11 11.781 1.805 0.444 0.841 0.800 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 41 18.768 1.698 0.575 0.653 0.825 0.575 CB 1.167 43 residues pruned to eliminate duplicates Z: 16 22.726 1.939 0.835 0.906 0.933 0.733 CA 1.257 16 residues pruned to eliminate duplicates Z: 26 32.462 2.072 0.661 0.909 1.000 0.800 CB 1.340 26 residues pruned to eliminate duplicates Z: 11 27.569 2.159 1.304 0.911 1.000 0.700 CB 1.242 11 residues pruned to eliminate duplicates Z: 6 2.439 1.149 -0.014 0.778 1.000 0.800 CB 0.754 Z: 51 58.099 2.255 0.974 0.692 1.000 0.760 CA 1.548 51 residues pruned to eliminate duplicates Z: 27 30.840 1.992 0.809 0.888 0.923 0.654 CB 1.311 27 residues pruned to eliminate duplicates Z: 15 34.167 2.099 1.167 0.868 1.000 0.786 CA 1.467 15 residues pruned to eliminate duplicates Z: 26 34.862 1.983 1.028 0.875 0.960 0.560 CB 1.314 26 residues pruned to eliminate duplicates Z: 27 33.929 2.178 0.508 0.860 1.000 0.769 CB 1.489 27 residues pruned to eliminate duplicates Z: 77 61.642 2.229 0.893 0.681 0.947 0.684 CB 1.499 77 residues pruned to eliminate duplicates Z: 13 32.703 2.151 1.230 0.942 1.000 0.917 CB 1.365 13 residues pruned to eliminate duplicates Z: 26 27.015 2.053 0.506 0.906 0.960 0.720 CB 1.294 26 residues pruned to eliminate duplicates Z: 10 8.390 1.646 0.414 0.857 0.889 0.667 CB 0.996 10 residues pruned to eliminate duplicates Z: 18 26.659 2.116 0.735 0.689 1.000 0.647 CB 1.481 18 residues pruned to eliminate duplicates Z: 37 14.352 1.730 0.322 0.486 0.944 0.528 CB 1.123 37 residues pruned to eliminate duplicates Z: 10 9.026 1.711 0.591 0.698 0.778 0.333 CA 1.187 10 residues pruned to eliminate duplicates Z: 15 24.001 2.010 0.606 0.888 1.000 0.929 CB 1.431 15 residues pruned to eliminate duplicates Z: 19 14.042 1.922 0.804 0.208 0.944 0.278 CB 1.427 19 residues pruned to eliminate duplicates Z: 48 44.697 2.059 0.871 0.738 0.936 0.681 CB 1.460 48 residues pruned to eliminate duplicates Z: 35 33.505 2.176 0.479 0.749 0.941 0.824 CA 1.518 35 residues pruned to eliminate duplicates Z: 21 34.789 2.133 0.660 0.923 1.000 0.800 CA 1.544 21 residues pruned to eliminate duplicates Z: 26 31.868 2.167 0.651 0.858 0.920 0.680 CB 1.426 26 residues pruned to eliminate duplicates Z: 75 45.166 1.957 0.858 0.648 0.919 0.703 CB 1.369 66 residues pruned to eliminate duplicates Z: 12 15.633 1.770 0.587 0.884 1.000 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 26 42.982 2.222 0.868 0.938 1.000 0.720 CB 1.440 26 residues pruned to eliminate duplicates Z: 15 19.468 2.059 0.801 0.811 0.786 0.571 CB 1.362 15 residues pruned to eliminate duplicates Z: 15 17.304 1.803 0.753 0.873 0.929 0.929 CB 1.148 15 residues pruned to eliminate duplicates Z: 67 69.323 2.221 1.047 0.721 0.970 0.712 CB 1.584 67 residues pruned to eliminate duplicates Z: 15 12.489 1.842 0.706 0.417 0.857 0.571 CB 1.351 14 residues pruned to eliminate duplicates Z: 25 26.427 2.012 0.457 0.916 1.000 0.917 CB 1.300 25 residues pruned to eliminate duplicates Z: 21 8.866 1.571 0.300 0.638 0.900 0.600 CB 0.948 21 residues pruned to eliminate duplicates Z: 8 3.279 1.505 0.606 0.210 0.714 0.571 CA 1.011 Z: 75 54.713 2.132 0.914 0.624 0.932 0.595 CB 1.488 75 residues pruned to eliminate duplicates Z: 48 32.706 1.860 0.884 0.703 0.915 0.745 CB 1.237 48 residues pruned to eliminate duplicates Z: 13 18.586 2.018 0.463 0.868 0.917 0.917 CA 1.449 13 residues pruned to eliminate duplicates Z: 27 24.986 2.142 0.267 0.871 0.923 0.885 CB 1.427 27 residues pruned to eliminate duplicates Z: 15 30.455 2.030 1.050 0.889 0.929 0.786 CA 1.517 15 residues pruned to eliminate duplicates Z: 7 2.998 1.491 0.211 0.394 0.667 0.500 CA 1.137 6 residues pruned to eliminate duplicates Z: 21 10.020 1.867 0.537 0.294 0.750 0.550 CB 1.312 22 residues pruned to eliminate duplicates Z: 36 23.032 1.981 0.374 0.726 0.914 0.743 CB 1.275 36 residues pruned to eliminate duplicates Z: 7 10.131 1.760 0.343 0.881 1.000 1.000 CB 1.267 7 residues pruned to eliminate duplicates Z: 36 38.278 2.100 0.844 0.753 0.943 0.600 CB 1.414 36 residues pruned to eliminate duplicates Z: 33 18.879 1.572 0.786 0.672 0.906 0.469 CB 1.120 45 residues pruned to eliminate duplicates Z: 26 34.649 2.227 0.571 0.916 0.960 0.920 CB 1.457 26 residues pruned to eliminate duplicates Z: 12 23.420 1.895 1.048 0.885 1.000 0.636 CB 1.314 12 residues pruned to eliminate duplicates Z: 35 23.383 2.060 0.489 0.684 0.824 0.647 CB 1.341 35 residues pruned to eliminate duplicates Z: 7 2.134 1.159 0.502 0.465 0.833 0.333 C 0.622 Z: 15 13.118 1.753 0.495 0.909 0.929 0.857 CB 1.023 15 residues pruned to eliminate duplicates Z: 45 40.325 2.192 0.772 0.600 0.932 0.636 CA 1.527 45 residues pruned to eliminate duplicates Z: 12 10.388 1.499 0.434 0.910 1.000 0.727 CB 1.034 12 residues pruned to eliminate duplicates Z: 19 14.204 1.842 0.711 0.434 0.833 0.667 CB 1.366 19 residues pruned to eliminate duplicates Z: 42 31.635 2.040 0.752 0.583 0.878 0.634 CB 1.454 42 residues pruned to eliminate duplicates Z: 13 35.851 2.293 1.310 0.886 1.000 0.667 CB 1.410 13 residues pruned to eliminate duplicates Z: 15 16.186 1.766 0.451 0.884 1.000 0.929 CB 1.219 15 residues pruned to eliminate duplicates Z: 11 9.001 1.629 0.319 0.838 1.000 0.900 CB 0.990 11 residues pruned to eliminate duplicates Z: 15 16.838 1.802 0.759 0.873 0.929 0.643 CB 1.113 15 residues pruned to eliminate duplicates Z: 26 32.955 2.207 0.486 0.901 1.000 0.800 CB 1.435 26 residues pruned to eliminate duplicates Z: 12 8.855 1.479 0.502 0.807 1.000 0.727 CB 0.920 12 residues pruned to eliminate duplicates Z: 7 2.617 1.411 0.434 0.314 0.833 0.667 CB 0.778 Using tripeptides from previous cycle as seeds Z: 24 31.233 2.113 0.662 0.839 0.913 0.696 CB 1.516 24 residues pruned to eliminate duplicates Z: 21 28.691 2.171 0.432 0.886 0.950 0.850 CA 1.567 21 residues pruned to eliminate duplicates Z: 22 41.030 2.204 0.937 0.879 0.952 0.762 CB 1.597 21 residues pruned to eliminate duplicates Z: 20 40.887 2.209 0.881 0.930 1.000 0.684 CA 1.578 21 residues pruned to eliminate duplicates Z: 21 41.246 2.146 0.917 0.908 1.000 0.600 CA 1.592 21 residues pruned to eliminate duplicates Z: 20 46.241 2.240 1.046 0.937 1.000 0.684 CA 1.611 20 residues pruned to eliminate duplicates Z: 23 42.966 2.149 1.123 0.831 0.955 0.545 CB 1.580 23 residues pruned to eliminate duplicates Z: 20 45.386 2.232 1.112 0.896 0.947 0.842 CB 1.670 20 residues pruned to eliminate duplicates Z: 21 52.848 2.234 1.305 0.893 1.000 0.700 CA 1.647 19 residues pruned to eliminate duplicates Z: 19 45.815 2.242 1.011 0.935 1.000 0.500 CA 1.669 19 residues pruned to eliminate duplicates Z: 22 47.653 2.218 1.284 0.871 0.905 0.476 CB 1.655 22 residues pruned to eliminate duplicates Z: 22 44.118 2.141 1.249 0.837 0.952 0.333 CB 1.570 22 residues pruned to eliminate duplicates Z: 22 48.041 2.124 1.301 0.834 1.000 0.476 CA 1.608 22 residues pruned to eliminate duplicates Z: 22 46.511 2.147 1.382 0.891 0.905 0.381 CB 1.577 22 residues pruned to eliminate duplicates Z: 22 42.483 2.140 1.255 0.841 0.952 0.476 CB 1.505 22 residues pruned to eliminate duplicates Z: 21 48.069 2.208 1.210 0.899 0.950 0.350 CB 1.658 21 residues pruned to eliminate duplicates Z: 22 41.685 2.162 1.347 0.821 0.857 0.381 CB 1.583 22 residues pruned to eliminate duplicates Z: 23 43.873 2.123 1.272 0.837 0.955 0.500 CB 1.519 23 residues pruned to eliminate duplicates Z: 22 44.766 2.132 1.381 0.830 0.952 0.190 CB 1.520 22 residues pruned to eliminate duplicates Z: 53 32.913 2.031 0.745 0.534 0.885 0.519 CB 1.408 53 residues pruned to eliminate duplicates Z: 11 13.168 2.084 0.684 0.406 0.800 0.700 CA 1.637 12 residues pruned to eliminate duplicates Z: 6 3.573 1.563 0.751 0.305 0.800 0.400 CB 0.907 6 residues pruned to eliminate duplicates Z: 45 35.063 2.037 0.917 0.611 0.864 0.591 CB 1.411 45 residues pruned to eliminate duplicates Z: 46 35.951 2.068 0.917 0.632 0.867 0.600 CB 1.378 46 residues pruned to eliminate duplicates Z: 28 29.594 2.163 0.920 0.573 0.852 0.556 CB 1.501 28 residues pruned to eliminate duplicates Z: 8 3.966 1.484 0.333 0.320 0.857 0.286 CB 1.077 8 residues pruned to eliminate duplicates Z: 45 38.127 2.101 0.837 0.631 0.932 0.636 CB 1.413 45 residues pruned to eliminate duplicates Z: 43 39.281 2.138 0.910 0.649 0.952 0.548 CB 1.356 43 residues pruned to eliminate duplicates Z: 16 24.519 2.259 0.809 0.698 0.867 0.467 CB 1.491 16 residues pruned to eliminate duplicates Z: 30 29.549 2.109 0.884 0.528 0.897 0.724 CB 1.499 30 residues pruned to eliminate duplicates Z: 44 39.235 2.111 0.804 0.645 0.977 0.628 CB 1.405 44 residues pruned to eliminate duplicates Z: 44 39.972 2.114 0.910 0.638 0.930 0.581 CB 1.426 44 residues pruned to eliminate duplicates Z: 45 37.123 2.057 0.967 0.617 0.909 0.659 CB 1.362 45 residues pruned to eliminate duplicates Z: 42 39.998 2.125 0.853 0.664 0.951 0.634 CB 1.432 42 residues pruned to eliminate duplicates Z: 45 37.256 2.087 0.898 0.614 0.932 0.545 CB 1.366 45 residues pruned to eliminate duplicates Z: 46 38.601 2.098 0.878 0.629 0.933 0.578 CB 1.385 46 residues pruned to eliminate duplicates Z: 44 34.339 2.107 0.807 0.629 0.907 0.628 CB 1.343 44 residues pruned to eliminate duplicates Z: 27 30.437 2.236 0.853 0.577 0.846 0.654 CB 1.582 27 residues pruned to eliminate duplicates Z: 45 39.627 2.112 0.928 0.632 0.909 0.545 CB 1.425 45 residues pruned to eliminate duplicates Z: 46 36.056 2.052 0.880 0.604 0.911 0.667 CB 1.385 46 residues pruned to eliminate duplicates Z: 45 31.198 2.052 0.770 0.610 0.864 0.500 CB 1.350 45 residues pruned to eliminate duplicates Z: 44 39.688 2.113 0.912 0.662 0.953 0.605 CB 1.352 44 residues pruned to eliminate duplicates Z: 44 34.903 2.098 0.812 0.618 0.907 0.651 CB 1.381 44 residues pruned to eliminate duplicates Z: 43 36.780 2.113 0.947 0.633 0.929 0.548 CB 1.312 43 residues pruned to eliminate duplicates Z: 44 39.916 2.122 0.905 0.656 0.930 0.651 CB 1.400 44 residues pruned to eliminate duplicates Z: 19 17.223 1.873 0.905 0.715 0.833 0.667 CB 1.124 19 residues pruned to eliminate duplicates Z: 43 29.968 2.021 0.686 0.616 0.881 0.500 CB 1.380 43 residues pruned to eliminate duplicates Z: 21 18.396 1.804 0.823 0.651 0.900 0.600 CB 1.207 21 residues pruned to eliminate duplicates Z: 17 18.234 1.928 0.829 0.795 1.000 0.750 CB 0.998 17 residues pruned to eliminate duplicates Z: 20 19.649 1.823 0.877 0.674 0.947 0.579 CB 1.185 19 residues pruned to eliminate duplicates Z: 12 16.582 1.877 0.517 0.814 1.000 0.818 CB 1.336 12 residues pruned to eliminate duplicates Z: 45 36.969 2.089 0.886 0.638 0.909 0.614 CB 1.367 45 residues pruned to eliminate duplicates Z: 18 19.316 1.933 0.865 0.781 0.941 0.353 CB 1.078 18 residues pruned to eliminate duplicates Z: 18 22.192 1.905 0.848 0.801 1.000 0.647 CB 1.175 19 residues pruned to eliminate duplicates Z: 10 15.723 1.949 0.846 0.875 1.000 0.333 CB 1.059 10 residues pruned to eliminate duplicates Z: 43 31.216 2.026 0.732 0.620 0.881 0.524 CB 1.391 43 residues pruned to eliminate duplicates Z: 43 32.454 2.074 0.817 0.621 0.905 0.429 CB 1.310 43 residues pruned to eliminate duplicates Z: 49 32.622 2.002 0.827 0.572 0.875 0.375 CB 1.372 49 residues pruned to eliminate duplicates Z: 29 22.320 1.875 0.645 0.570 0.964 0.571 CB 1.325 27 residues pruned to eliminate duplicates Z: 12 11.199 1.792 0.509 0.725 0.909 0.455 CB 1.121 12 residues pruned to eliminate duplicates Z: 27 20.686 1.834 0.742 0.614 0.885 0.500 CB 1.289 27 residues pruned to eliminate duplicates Z: 50 31.465 1.986 0.746 0.559 0.898 0.490 CB 1.363 50 residues pruned to eliminate duplicates Z: 52 29.114 1.952 0.688 0.517 0.902 0.451 CB 1.349 52 residues pruned to eliminate duplicates Z: 6 4.087 1.761 0.224 0.265 1.000 0.800 CB 1.108 6 residues pruned to eliminate duplicates Z: 25 22.312 1.945 0.681 0.680 0.917 0.583 CB 1.287 25 residues pruned to eliminate duplicates Z: 9 16.230 2.015 0.838 0.628 0.875 0.500 CB 1.570 9 residues pruned to eliminate duplicates Z: 57 49.373 2.184 0.780 0.647 0.946 0.786 CA 1.564 57 residues pruned to eliminate duplicates Z: 52 36.380 2.103 0.704 0.555 0.882 0.686 CA 1.527 52 residues pruned to eliminate duplicates Z: 30 23.708 2.028 0.536 0.500 0.931 0.690 CB 1.518 30 residues pruned to eliminate duplicates Z: 18 19.251 2.096 0.606 0.474 0.941 0.824 CA 1.514 18 residues pruned to eliminate duplicates Z: 16 23.510 2.097 0.748 0.541 0.933 0.667 CA 1.705 16 residues pruned to eliminate duplicates Z: 58 50.492 2.188 0.768 0.681 0.965 0.702 CA 1.517 63 residues pruned to eliminate duplicates Z: 6 8.020 1.865 0.704 0.323 1.000 0.400 CA 1.371 6 residues pruned to eliminate duplicates Z: 40 32.629 2.079 0.758 0.508 0.949 0.667 CA 1.495 40 residues pruned to eliminate duplicates Z: 13 22.135 2.046 0.983 0.716 0.917 0.583 CA 1.413 13 residues pruned to eliminate duplicates Z: 56 50.151 2.204 0.743 0.657 0.964 0.727 CA 1.578 56 residues pruned to eliminate duplicates Z: 12 16.278 2.047 0.816 0.640 0.909 0.727 CA 1.275 12 residues pruned to eliminate duplicates Z: 55 58.715 2.241 0.917 0.670 0.963 0.759 CA 1.650 55 residues pruned to eliminate duplicates Z: 16 19.276 1.955 0.762 0.850 0.867 0.733 CA 1.234 16 residues pruned to eliminate duplicates Z: 22 24.762 2.117 0.758 0.541 1.000 0.810 CB 1.395 22 residues pruned to eliminate duplicates Z: 45 51.734 2.252 0.811 0.736 0.977 0.841 CB 1.583 45 residues pruned to eliminate duplicates Z: 46 46.062 2.231 0.756 0.715 0.911 0.756 CB 1.584 46 residues pruned to eliminate duplicates Z: 26 20.455 1.998 0.825 0.518 0.880 0.600 CB 1.251 26 residues pruned to eliminate duplicates Z: 20 26.906 2.098 0.835 0.613 1.000 0.737 CB 1.441 20 residues pruned to eliminate duplicates Z: 35 43.784 2.251 0.796 0.705 1.000 0.794 CB 1.541 35 residues pruned to eliminate duplicates Z: 57 51.458 2.202 0.748 0.673 0.964 0.786 CB 1.579 57 residues pruned to eliminate duplicates Z: 21 25.681 2.154 0.738 0.575 0.950 0.600 CB 1.502 21 residues pruned to eliminate duplicates Z: 45 51.943 2.243 0.869 0.731 0.955 0.727 CA 1.589 45 residues pruned to eliminate duplicates Z: 44 56.833 2.285 0.923 0.739 1.000 0.721 CB 1.592 44 residues pruned to eliminate duplicates Z: 15 25.360 2.275 0.526 0.807 1.000 1.000 CB 1.494 15 residues pruned to eliminate duplicates Z: 46 49.760 2.241 0.772 0.725 0.956 0.689 CB 1.595 46 residues pruned to eliminate duplicates Z: 45 48.871 2.248 0.773 0.720 0.955 0.727 CB 1.587 45 residues pruned to eliminate duplicates Z: 44 55.457 2.291 0.874 0.734 0.977 0.791 CB 1.634 44 residues pruned to eliminate duplicates Z: 25 33.729 2.272 0.446 0.937 1.000 1.000 CA 1.458 25 residues pruned to eliminate duplicates Z: 57 52.362 2.222 0.777 0.663 0.964 0.839 CA 1.580 57 residues pruned to eliminate duplicates Z: 47 40.973 2.194 0.689 0.637 0.913 0.674 CB 1.571 47 residues pruned to eliminate duplicates Z: 46 49.482 2.204 0.801 0.727 0.978 0.778 CB 1.549 46 residues pruned to eliminate duplicates Z: 45 39.242 2.183 0.720 0.628 0.909 0.750 CB 1.537 45 residues pruned to eliminate duplicates Z: 47 44.285 2.178 0.843 0.625 0.957 0.652 CB 1.512 47 residues pruned to eliminate duplicates Z: 45 51.473 2.245 0.913 0.731 0.955 0.636 CB 1.538 45 residues pruned to eliminate duplicates Z: 45 52.726 2.237 1.012 0.725 0.955 0.795 CB 1.510 45 residues pruned to eliminate duplicates Z: 45 60.035 2.282 1.062 0.726 1.000 0.636 CB 1.569 45 residues pruned to eliminate duplicates Z: 24 45.283 2.308 1.096 0.844 0.913 0.783 CB 1.591 24 residues pruned to eliminate duplicates Z: 25 49.049 2.310 1.047 0.839 0.958 0.792 CB 1.650 25 residues pruned to eliminate duplicates Z: 24 60.859 2.412 1.293 0.895 0.957 0.696 CB 1.719 24 residues pruned to eliminate duplicates Z: 45 52.159 2.239 1.039 0.747 0.932 0.614 CB 1.482 45 residues pruned to eliminate duplicates Z: 58 54.352 2.171 0.970 0.679 0.947 0.526 CB 1.507 58 residues pruned to eliminate duplicates Z: 45 60.894 2.249 1.085 0.734 1.000 0.659 CB 1.586 45 residues pruned to eliminate duplicates Z: 27 55.842 2.241 1.439 0.809 0.962 0.500 CB 1.592 27 residues pruned to eliminate duplicates Z: 24 63.570 2.396 1.403 0.882 1.000 0.652 CB 1.666 24 residues pruned to eliminate duplicates Z: 26 58.370 2.330 1.347 0.865 1.000 0.480 CB 1.564 26 residues pruned to eliminate duplicates Z: 23 59.664 2.351 1.504 0.934 0.955 0.545 CB 1.579 23 residues pruned to eliminate duplicates Z: 12 14.414 1.830 0.520 0.728 0.909 0.273 CB 1.399 12 residues pruned to eliminate duplicates Z: 12 14.564 1.855 0.449 0.753 0.909 0.727 CA 1.435 12 residues pruned to eliminate duplicates Z: 12 15.041 1.843 0.471 0.754 0.909 0.636 CA 1.468 12 residues pruned to eliminate duplicates Z: 12 15.387 1.841 0.407 0.834 1.000 0.545 CA 1.343 12 residues pruned to eliminate duplicates Z: 12 15.356 1.808 0.422 0.751 1.000 0.727 CA 1.439 12 residues pruned to eliminate duplicates Z: 12 11.081 1.795 0.236 0.747 1.000 0.727 CA 1.208 12 residues pruned to eliminate duplicates Z: 13 10.238 1.710 0.350 0.683 0.917 0.833 CA 1.180 13 residues pruned to eliminate duplicates Z: 55 42.245 2.037 0.846 0.721 0.926 0.593 CB 1.352 55 residues pruned to eliminate duplicates Z: 36 24.692 1.950 0.414 0.740 0.914 0.800 CB 1.335 36 residues pruned to eliminate duplicates Z: 29 24.732 1.961 0.391 0.823 1.000 0.786 CB 1.295 29 residues pruned to eliminate duplicates Z: 39 25.037 1.936 0.434 0.705 0.947 0.684 CB 1.281 39 residues pruned to eliminate duplicates Z: 36 26.921 1.975 0.349 0.745 1.000 0.771 CB 1.372 36 residues pruned to eliminate duplicates Z: 25 28.958 2.102 0.504 0.903 0.958 0.833 CB 1.391 25 residues pruned to eliminate duplicates Z: 35 29.512 1.983 0.582 0.770 0.941 0.853 CB 1.349 35 residues pruned to eliminate duplicates Z: 36 26.443 1.914 0.612 0.732 0.943 0.657 CB 1.246 36 residues pruned to eliminate duplicates Z: 43 24.719 1.888 0.428 0.651 1.000 0.690 CB 1.228 43 residues pruned to eliminate duplicates Z: 26 36.525 2.047 0.791 0.902 1.000 0.760 CB 1.421 26 residues pruned to eliminate duplicates Z: 36 28.712 1.961 0.489 0.751 1.000 0.686 CB 1.329 36 residues pruned to eliminate duplicates Z: 35 28.606 1.954 0.620 0.749 0.912 0.706 CB 1.362 35 residues pruned to eliminate duplicates Z: 26 27.767 2.013 0.513 0.928 0.960 0.760 CB 1.330 26 residues pruned to eliminate duplicates Z: 38 27.537 1.932 0.580 0.729 0.973 0.757 CB 1.239 38 residues pruned to eliminate duplicates Z: 31 30.731 1.993 0.716 0.835 0.933 0.633 CB 1.317 31 residues pruned to eliminate duplicates Z: 36 30.364 1.943 0.711 0.752 0.971 0.714 CB 1.269 36 residues pruned to eliminate duplicates Z: 42 23.067 1.853 0.607 0.637 0.927 0.610 CB 1.147 42 residues pruned to eliminate duplicates Z: 39 23.540 1.975 0.573 0.680 0.868 0.579 CB 1.200 39 residues pruned to eliminate duplicates Z: 33 29.465 1.931 0.808 0.781 0.938 0.594 CB 1.242 33 residues pruned to eliminate duplicates Z: 38 29.404 1.901 0.800 0.714 0.946 0.595 CB 1.230 38 residues pruned to eliminate duplicates Z: 40 25.587 1.896 0.753 0.689 0.897 0.615 CB 1.155 40 residues pruned to eliminate duplicates Z: 37 29.168 1.955 0.705 0.740 0.944 0.528 CB 1.245 37 residues pruned to eliminate duplicates Z: 35 31.079 1.970 0.816 0.765 0.941 0.500 CB 1.252 35 residues pruned to eliminate duplicates Z: 36 32.288 1.975 0.678 0.744 1.000 0.629 CB 1.324 36 residues pruned to eliminate duplicates Z: 38 27.796 1.934 0.694 0.719 0.919 0.649 CB 1.245 38 residues pruned to eliminate duplicates Z: 39 26.604 1.904 0.621 0.723 0.947 0.579 CB 1.207 39 residues pruned to eliminate duplicates Z: 34 32.042 1.996 0.716 0.784 0.970 0.667 CB 1.308 34 residues pruned to eliminate duplicates Z: 36 28.608 1.952 0.760 0.714 0.943 0.571 CB 1.230 36 residues pruned to eliminate duplicates Z: 11 10.029 1.694 0.490 0.801 0.900 0.600 CB 1.073 11 residues pruned to eliminate duplicates Z: 9 10.129 1.733 0.187 0.901 1.000 0.875 CB 1.242 9 residues pruned to eliminate duplicates Z: 10 13.158 1.742 0.502 0.894 1.000 0.778 CB 1.203 10 residues pruned to eliminate duplicates Z: 10 10.399 1.687 0.294 0.916 1.000 0.778 CB 1.121 10 residues pruned to eliminate duplicates Z: 10 10.997 1.718 0.333 0.893 1.000 0.667 CB 1.149 10 residues pruned to eliminate duplicates Z: 9 11.069 1.739 0.355 0.889 1.000 0.500 CB 1.196 9 residues pruned to eliminate duplicates Z: 9 11.318 1.727 0.322 0.906 1.000 0.500 CB 1.247 9 residues pruned to eliminate duplicates Z: 31 26.224 2.018 0.249 0.802 1.000 0.833 CB 1.458 27 residues pruned to eliminate duplicates Z: 27 37.575 2.208 0.623 0.862 1.000 0.692 CB 1.510 27 residues pruned to eliminate duplicates Z: 36 32.483 2.109 0.460 0.736 0.971 0.743 CB 1.486 36 residues pruned to eliminate duplicates Z: 37 31.488 2.094 0.528 0.693 0.944 0.722 CB 1.456 37 residues pruned to eliminate duplicates Z: 29 27.304 2.114 0.384 0.821 0.964 0.786 CB 1.385 29 residues pruned to eliminate duplicates Z: 107 72.136 2.179 0.856 0.679 0.972 0.670 CB 1.512 111 residues pruned to eliminate duplicates Z: 25 35.891 2.232 0.627 0.906 0.958 0.875 CB 1.498 25 residues pruned to eliminate duplicates Z: 34 31.352 2.203 0.496 0.710 0.909 0.727 CB 1.504 34 residues pruned to eliminate duplicates Z: 27 35.294 2.221 0.594 0.852 0.962 0.808 CB 1.504 27 residues pruned to eliminate duplicates Z: 32 30.603 2.158 0.656 0.749 0.871 0.806 CB 1.414 32 residues pruned to eliminate duplicates Z: 34 33.787 2.182 0.602 0.728 0.939 0.727 CB 1.458 34 residues pruned to eliminate duplicates Z: 35 35.494 2.190 0.675 0.711 0.941 0.618 CB 1.455 35 residues pruned to eliminate duplicates Z: 26 35.628 2.254 0.616 0.906 0.960 0.720 CB 1.450 26 residues pruned to eliminate duplicates Z: 36 33.527 2.154 0.713 0.693 0.914 0.686 CB 1.408 36 residues pruned to eliminate duplicates Z: 38 30.322 1.964 0.696 0.685 0.946 0.595 CB 1.334 34 residues pruned to eliminate duplicates Z: 26 41.898 2.217 0.865 0.904 0.960 0.520 CB 1.504 32 residues pruned to eliminate duplicates Z: 25 41.080 2.297 0.885 0.914 0.917 0.667 CB 1.494 25 residues pruned to eliminate duplicates Z: 99 77.160 2.242 0.922 0.725 0.959 0.673 CB 1.539 97 residues pruned to eliminate duplicates Z: 26 46.231 2.260 1.025 0.921 0.960 0.680 CB 1.481 26 residues pruned to eliminate duplicates Z: 35 35.429 2.084 0.924 0.752 0.912 0.618 CB 1.327 33 residues pruned to eliminate duplicates Z: 25 50.676 2.285 1.219 0.931 0.958 0.583 CB 1.488 25 residues pruned to eliminate duplicates Z: 38 35.516 2.197 0.892 0.656 0.892 0.595 CB 1.363 40 residues pruned to eliminate duplicates Z: 25 47.840 2.283 1.032 0.928 1.000 0.667 CB 1.474 25 residues pruned to eliminate duplicates Z: 35 38.700 2.183 0.816 0.752 0.912 0.588 CB 1.466 35 residues pruned to eliminate duplicates Z: 35 40.400 2.152 0.886 0.728 0.971 0.618 CB 1.432 35 residues pruned to eliminate duplicates Z: 33 40.680 2.211 0.949 0.746 0.938 0.438 CB 1.429 33 residues pruned to eliminate duplicates Z: 34 43.181 2.210 1.026 0.729 0.970 0.515 CB 1.409 34 residues pruned to eliminate duplicates Z: 35 42.595 2.161 0.986 0.742 0.941 0.618 CB 1.456 35 residues pruned to eliminate duplicates Z: 34 43.535 2.193 0.929 0.720 0.970 0.485 CB 1.514 34 residues pruned to eliminate duplicates Z: 6 4.648 1.859 0.111 0.473 0.800 0.600 CA 1.292 6 residues pruned to eliminate duplicates Z: 34 42.462 2.177 0.906 0.731 0.939 0.606 CB 1.539 34 residues pruned to eliminate duplicates 6 1.305 1.574 0.699 0.100 0.400 0.000 N 0.909 ? Z: 103 75.261 2.228 0.855 0.696 0.961 0.637 CB 1.569 103 residues pruned to eliminate duplicates Z: 6 4.648 1.470 0.416 0.546 1.000 0.200 CA 0.955 6 residues pruned to eliminate duplicates Z: 104 72.859 2.194 0.949 0.696 0.942 0.573 CB 1.490 104 residues pruned to eliminate duplicates Z: 70 63.608 2.234 0.897 0.692 0.957 0.638 CB 1.585 70 residues pruned to eliminate duplicates Z: 66 68.631 2.258 0.934 0.729 0.985 0.738 CA 1.612 66 residues pruned to eliminate duplicates Z: 45 51.268 2.260 1.077 0.649 0.909 0.636 CB 1.576 45 residues pruned to eliminate duplicates Z: 104 79.374 2.215 1.059 0.691 0.951 0.641 CB 1.513 102 residues pruned to eliminate duplicates Z: 22 36.524 2.161 1.004 0.731 0.952 0.381 CA 1.571 22 residues pruned to eliminate duplicates Z: 67 67.142 2.239 0.961 0.717 0.985 0.712 CB 1.571 67 residues pruned to eliminate duplicates Z: 70 62.387 2.230 0.986 0.665 0.928 0.696 CA 1.570 70 residues pruned to eliminate duplicates Z: 69 67.199 2.227 0.994 0.699 0.971 0.691 CB 1.577 69 residues pruned to eliminate duplicates Z: 63 60.369 2.225 0.818 0.747 0.968 0.758 CB 1.571 63 residues pruned to eliminate duplicates Z: 71 63.034 2.207 0.940 0.682 0.957 0.700 CA 1.555 71 residues pruned to eliminate duplicates Z: 44 47.006 2.244 0.937 0.610 0.953 0.651 CA 1.558 44 residues pruned to eliminate duplicates Z: 71 61.526 2.222 0.882 0.681 0.957 0.729 CA 1.556 71 residues pruned to eliminate duplicates Z: 67 64.684 2.244 0.865 0.726 0.970 0.788 CA 1.599 67 residues pruned to eliminate duplicates Z: 102 72.903 2.225 0.928 0.693 0.960 0.693 CB 1.477 102 residues pruned to eliminate duplicates Z: 70 61.667 2.229 0.868 0.683 0.957 0.754 CB 1.576 70 residues pruned to eliminate duplicates Z: 73 54.102 2.181 0.816 0.669 0.944 0.681 CA 1.459 73 residues pruned to eliminate duplicates Z: 71 60.832 2.229 0.855 0.678 0.957 0.757 CA 1.560 71 residues pruned to eliminate duplicates Z: 66 66.458 2.251 0.909 0.728 0.985 0.785 CA 1.586 66 residues pruned to eliminate duplicates Z: 70 59.126 2.196 0.852 0.681 0.971 0.667 CA 1.527 70 residues pruned to eliminate duplicates Z: 66 66.169 2.249 0.898 0.722 0.985 0.723 CA 1.598 66 residues pruned to eliminate duplicates Z: 68 58.030 2.199 0.818 0.697 0.985 0.687 CA 1.505 68 residues pruned to eliminate duplicates Z: 71 61.757 2.222 0.866 0.685 0.957 0.771 CA 1.569 71 residues pruned to eliminate duplicates Z: 97 72.732 2.219 0.936 0.688 0.938 0.646 CB 1.552 97 residues pruned to eliminate duplicates Z: 77 63.670 2.187 1.009 0.654 0.947 0.711 CA 1.521 77 residues pruned to eliminate duplicates Z: 76 59.063 2.222 0.813 0.642 0.947 0.747 CA 1.566 76 residues pruned to eliminate duplicates Z: 71 62.683 2.231 0.820 0.697 0.986 0.714 CA 1.564 71 residues pruned to eliminate duplicates Z: 72 54.365 2.190 0.726 0.677 0.958 0.775 CA 1.514 72 residues pruned to eliminate duplicates Z: 38 53.061 2.204 1.025 0.816 0.973 0.865 CB 1.526 38 residues pruned to eliminate duplicates Z: 41 43.430 2.162 0.778 0.748 0.950 0.775 CB 1.506 41 residues pruned to eliminate duplicates Z: 78 64.000 2.194 0.971 0.645 0.948 0.714 CB 1.554 78 residues pruned to eliminate duplicates Z: 66 68.866 2.253 1.040 0.708 0.985 0.754 CA 1.562 66 residues pruned to eliminate duplicates Z: 66 66.555 2.244 0.941 0.717 0.985 0.769 CA 1.582 66 residues pruned to eliminate duplicates Z: 71 68.255 2.235 1.010 0.672 0.971 0.771 CA 1.595 71 residues pruned to eliminate duplicates Z: 99 74.095 2.241 0.940 0.711 0.929 0.724 CB 1.530 99 residues pruned to eliminate duplicates Z: 67 67.912 2.238 0.962 0.711 1.000 0.788 CB 1.573 67 residues pruned to eliminate duplicates Z: 98 78.075 2.258 0.933 0.723 0.959 0.701 CB 1.549 98 residues pruned to eliminate duplicates Z: 106 76.144 2.199 0.994 0.678 0.943 0.638 CB 1.525 106 residues pruned to eliminate duplicates Z: 98 73.848 2.217 0.906 0.722 0.928 0.649 CB 1.565 98 residues pruned to eliminate duplicates Z: 70 63.438 2.236 0.896 0.701 0.957 0.739 CB 1.568 70 residues pruned to eliminate duplicates Z: 67 66.030 2.243 0.922 0.723 0.985 0.727 CB 1.565 67 residues pruned to eliminate duplicates Z: 67 63.114 2.220 0.925 0.716 0.970 0.697 CA 1.541 67 residues pruned to eliminate duplicates Z: 103 74.667 2.224 0.903 0.695 0.941 0.598 CB 1.553 103 residues pruned to eliminate duplicates Z: 44 47.475 2.123 1.021 0.718 0.953 0.628 CB 1.453 44 residues pruned to eliminate duplicates Z: 67 68.738 2.232 0.989 0.715 1.000 0.727 CB 1.568 67 residues pruned to eliminate duplicates Z: 64 70.813 2.237 1.075 0.728 0.984 0.698 CA 1.590 64 residues pruned to eliminate duplicates Z: 66 67.206 2.243 1.021 0.717 0.954 0.662 CB 1.585 66 residues pruned to eliminate duplicates Z: 69 61.112 2.224 0.930 0.697 0.941 0.735 CB 1.532 69 residues pruned to eliminate duplicates Z: 18 19.673 2.060 0.323 0.724 0.941 0.765 CA 1.520 18 residues pruned to eliminate duplicates Z: 55 70.710 2.297 1.053 0.768 1.000 0.870 CA 1.609 55 residues pruned to eliminate duplicates Z: 66 68.768 2.259 0.966 0.719 0.985 0.723 CA 1.600 66 residues pruned to eliminate duplicates Z: 38 47.456 2.180 1.067 0.790 0.946 0.676 CB 1.419 38 residues pruned to eliminate duplicates Z: 98 82.460 2.241 1.069 0.719 0.969 0.526 CB 1.529 98 residues pruned to eliminate duplicates Z: 70 63.455 2.235 0.911 0.693 0.957 0.710 CB 1.568 70 residues pruned to eliminate duplicates Z: 73 61.787 2.220 0.925 0.656 0.958 0.681 CB 1.538 73 residues pruned to eliminate duplicates Z: 63 70.896 2.230 1.076 0.740 0.984 0.758 CA 1.594 63 residues pruned to eliminate duplicates Z: 71 63.012 2.200 0.899 0.692 0.986 0.686 CA 1.534 71 residues pruned to eliminate duplicates Z: 72 66.670 2.199 1.043 0.675 0.972 0.634 CB 1.542 72 residues pruned to eliminate duplicates Z: 101 74.370 2.221 0.985 0.704 0.940 0.650 CB 1.490 101 residues pruned to eliminate duplicates Z: 66 68.063 2.250 0.979 0.734 0.969 0.785 CA 1.584 66 residues pruned to eliminate duplicates Z: 71 63.046 2.187 0.951 0.680 0.971 0.657 CB 1.540 71 residues pruned to eliminate duplicates Z: 17 21.131 2.001 0.580 0.685 0.938 0.625 CB 1.504 17 residues pruned to eliminate duplicates Z: 18 19.781 1.914 0.717 0.631 0.882 0.706 CB 1.463 18 residues pruned to eliminate duplicates Z: 20 22.514 1.867 0.781 0.586 1.000 0.632 CB 1.430 17 residues pruned to eliminate duplicates Z: 15 15.889 1.830 0.770 0.712 0.857 0.571 CB 1.262 15 residues pruned to eliminate duplicates Z: 16 22.238 1.942 0.794 0.717 0.933 0.667 CB 1.451 16 residues pruned to eliminate duplicates Z: 18 18.573 1.902 0.682 0.630 0.882 0.588 CB 1.412 18 residues pruned to eliminate duplicates Z: 18 25.773 1.938 0.803 0.672 1.000 0.471 CB 1.526 14 residues pruned to eliminate duplicates Z: 14 22.816 1.966 0.740 0.851 0.923 0.769 CB 1.483 14 residues pruned to eliminate duplicates Z: 22 18.416 1.862 0.713 0.564 0.810 0.476 CB 1.462 22 residues pruned to eliminate duplicates Z: 22 20.422 1.828 0.826 0.542 0.952 0.476 CB 1.345 19 residues pruned to eliminate duplicates Z: 12 27.427 2.030 1.132 0.907 1.000 0.455 CB 1.358 12 residues pruned to eliminate duplicates Z: 19 17.905 1.864 0.647 0.616 0.889 0.556 CB 1.385 19 residues pruned to eliminate duplicates Z: 23 15.770 1.836 0.597 0.503 0.864 0.591 CB 1.324 23 residues pruned to eliminate duplicates Z: 22 18.087 1.823 0.477 0.658 0.905 0.714 CB 1.400 22 residues pruned to eliminate duplicates Z: 20 14.753 1.849 0.618 0.588 0.789 0.526 CB 1.317 20 residues pruned to eliminate duplicates Z: 25 15.757 1.799 0.558 0.535 0.833 0.625 CB 1.331 25 residues pruned to eliminate duplicates Z: 42 18.035 1.720 0.535 0.601 0.854 0.585 CB 1.135 41 residues pruned to eliminate duplicates Z: 16 12.845 1.764 0.688 0.690 0.800 0.467 CA 1.169 16 residues pruned to eliminate duplicates Z: 41 19.841 1.733 0.567 0.633 0.925 0.650 CB 1.103 42 residues pruned to eliminate duplicates Z: 13 17.828 1.821 0.815 0.894 0.917 0.667 CB 1.218 13 residues pruned to eliminate duplicates Z: 23 16.040 1.813 0.578 0.580 0.864 0.500 CB 1.281 23 residues pruned to eliminate duplicates Z: 24 15.956 1.787 0.551 0.553 0.870 0.609 CA 1.311 24 residues pruned to eliminate duplicates Z: 43 18.660 1.692 0.510 0.626 0.881 0.643 CB 1.137 43 residues pruned to eliminate duplicates Z: 14 16.093 1.817 0.839 0.783 0.846 0.769 CB 1.230 14 residues pruned to eliminate duplicates Z: 17 15.677 1.779 0.767 0.627 0.875 0.438 CA 1.264 17 residues pruned to eliminate duplicates Z: 23 18.077 1.804 0.708 0.616 0.818 0.364 CB 1.370 22 residues pruned to eliminate duplicates Z: 11 11.418 1.875 0.517 0.741 0.900 0.400 CB 1.137 11 residues pruned to eliminate duplicates Z: 35 16.240 1.746 0.481 0.621 0.882 0.588 CB 1.089 35 residues pruned to eliminate duplicates 6 1.865 1.189 0.448 0.426 1.000 0.400 CB 0.523 ? Z: 15 9.956 1.485 0.316 0.719 1.000 0.857 CB 1.117 15 residues pruned to eliminate duplicates Z: 19 10.010 1.551 0.350 0.666 0.944 0.667 CB 1.024 19 residues pruned to eliminate duplicates Z: 21 8.829 1.574 0.301 0.640 0.850 0.600 CB 0.996 21 residues pruned to eliminate duplicates Z: 19 11.930 1.603 0.447 0.700 0.944 0.667 CB 1.069 19 residues pruned to eliminate duplicates Z: 20 9.185 1.602 0.293 0.639 0.895 0.579 CB 0.998 20 residues pruned to eliminate duplicates Z: 18 10.433 1.620 0.475 0.663 0.941 0.588 CB 0.968 18 residues pruned to eliminate duplicates Z: 39 17.963 1.749 0.539 0.562 0.895 0.421 CB 1.139 39 residues pruned to eliminate duplicates Z: 20 9.872 1.603 0.352 0.634 0.947 0.579 CB 0.973 20 residues pruned to eliminate duplicates Z: 19 10.933 1.619 0.491 0.681 0.889 0.500 CB 1.017 19 residues pruned to eliminate duplicates Z: 19 11.442 1.616 0.483 0.687 1.000 0.611 CB 0.948 19 residues pruned to eliminate duplicates Z: 6 4.081 1.626 0.361 0.569 0.800 0.400 CB 0.964 6 residues pruned to eliminate duplicates Z: 42 17.285 1.754 0.422 0.597 0.902 0.561 CB 1.093 42 residues pruned to eliminate duplicates Z: 21 11.135 1.601 0.437 0.641 0.950 0.650 CB 0.998 21 residues pruned to eliminate duplicates Z: 41 16.491 1.710 0.543 0.547 0.875 0.650 CB 1.078 17 residues pruned to eliminate duplicates Z: 7 2.985 1.361 0.065 0.424 1.000 0.500 CB 0.910 7 residues pruned to eliminate duplicates Z: 54 13.157 1.635 0.341 0.414 0.906 0.528 CB 0.996 54 residues pruned to eliminate duplicates Z: 10 5.545 1.797 0.268 0.229 1.000 0.556 CB 1.113 10 residues pruned to eliminate duplicates Z: 30 11.158 1.677 0.432 0.433 0.931 0.586 CB 0.994 30 residues pruned to eliminate duplicates Z: 9 5.100 1.720 0.029 0.327 1.000 0.875 CB 1.232 9 residues pruned to eliminate duplicates Z: 20 6.580 1.666 0.228 0.302 0.842 0.632 CB 1.092 20 residues pruned to eliminate duplicates Z: 25 11.521 1.743 0.371 0.430 0.875 0.667 CB 1.209 25 residues pruned to eliminate duplicates Z: 23 12.471 1.776 0.610 0.429 0.864 0.591 CB 1.159 23 residues pruned to eliminate duplicates Z: 20 7.373 1.684 0.116 0.388 1.000 0.526 CB 1.014 20 residues pruned to eliminate duplicates Z: 43 34.295 2.070 0.842 0.587 0.929 0.595 CB 1.375 43 residues pruned to eliminate duplicates Z: 71 48.782 2.014 0.875 0.684 0.957 0.657 CB 1.363 71 residues pruned to eliminate duplicates Z: 65 50.179 2.035 0.803 0.723 1.000 0.812 CB 1.398 65 residues pruned to eliminate duplicates Z: 72 50.201 1.999 0.950 0.658 0.972 0.704 CB 1.358 72 residues pruned to eliminate duplicates Z: 87 45.745 2.005 0.946 0.656 0.907 0.605 CB 1.206 87 residues pruned to eliminate duplicates Z: 65 52.436 2.026 0.920 0.730 0.969 0.703 CB 1.415 65 residues pruned to eliminate duplicates Z: 27 33.924 2.095 1.085 0.577 0.962 0.500 CB 1.471 27 residues pruned to eliminate duplicates Z: 101 57.171 2.004 0.855 0.722 0.970 0.680 CB 1.298 101 residues pruned to eliminate duplicates Z: 66 51.419 2.041 0.887 0.716 0.969 0.723 CB 1.405 66 residues pruned to eliminate duplicates Z: 62 53.745 2.036 0.947 0.759 1.000 0.820 CB 1.379 62 residues pruned to eliminate duplicates Z: 65 40.341 2.050 0.747 0.644 0.938 0.547 CB 1.313 65 residues pruned to eliminate duplicates Z: 64 52.376 2.063 0.917 0.726 0.984 0.746 CB 1.383 64 residues pruned to eliminate duplicates Z: 72 46.003 1.996 0.794 0.669 0.958 0.704 CB 1.362 72 residues pruned to eliminate duplicates Z: 67 47.903 2.026 0.800 0.717 0.970 0.742 CB 1.370 67 residues pruned to eliminate duplicates Z: 71 47.708 1.994 0.857 0.688 0.943 0.743 CB 1.375 71 residues pruned to eliminate duplicates Z: 65 53.766 2.013 0.941 0.732 1.000 0.812 CB 1.396 65 residues pruned to eliminate duplicates Z: 104 54.827 1.970 0.821 0.704 0.971 0.660 CB 1.288 103 residues pruned to eliminate duplicates Z: 18 43.776 2.168 1.266 0.936 1.000 0.882 CB 1.505 18 residues pruned to eliminate duplicates Z: 67 47.898 2.016 0.830 0.719 0.970 0.773 CB 1.352 67 residues pruned to eliminate duplicates Z: 61 52.521 2.064 0.835 0.770 0.983 0.750 CB 1.434 61 residues pruned to eliminate duplicates Z: 69 45.606 2.027 0.724 0.686 0.971 0.721 CB 1.375 69 residues pruned to eliminate duplicates Z: 66 49.452 2.039 0.812 0.707 0.969 0.754 CB 1.420 66 residues pruned to eliminate duplicates Z: 63 50.480 2.068 0.828 0.741 0.968 0.790 CB 1.412 63 residues pruned to eliminate duplicates Z: 64 52.349 2.069 0.860 0.727 0.984 0.825 CB 1.419 64 residues pruned to eliminate duplicates Z: 64 46.005 2.013 0.756 0.741 0.968 0.778 CB 1.364 64 residues pruned to eliminate duplicates Z: 66 49.016 2.009 0.824 0.718 0.985 0.769 CB 1.384 66 residues pruned to eliminate duplicates Z: 65 51.282 2.034 0.898 0.731 0.984 0.750 CB 1.371 65 residues pruned to eliminate duplicates Z: 65 47.880 2.037 0.730 0.725 1.000 0.828 CB 1.387 65 residues pruned to eliminate duplicates Z: 67 46.448 2.007 0.768 0.715 0.985 0.773 CB 1.347 67 residues pruned to eliminate duplicates Z: 66 47.753 2.038 0.830 0.715 0.969 0.769 CB 1.348 66 residues pruned to eliminate duplicates Z: 66 49.245 2.029 0.828 0.722 0.985 0.800 CB 1.368 66 residues pruned to eliminate duplicates Z: 62 49.255 2.036 0.793 0.740 0.984 0.803 CB 1.417 62 residues pruned to eliminate duplicates Z: 67 48.094 2.025 0.796 0.725 0.985 0.773 CB 1.349 67 residues pruned to eliminate duplicates Z: 102 55.013 2.005 0.827 0.713 0.941 0.663 CB 1.310 102 residues pruned to eliminate duplicates Z: 63 46.354 2.008 0.767 0.742 0.968 0.726 CB 1.381 63 residues pruned to eliminate duplicates Z: 65 48.168 2.044 0.814 0.719 0.969 0.734 CB 1.376 65 residues pruned to eliminate duplicates Z: 70 47.477 2.011 0.927 0.674 0.928 0.754 CB 1.354 70 residues pruned to eliminate duplicates Z: 107 50.993 1.974 0.756 0.676 0.934 0.632 CB 1.302 107 residues pruned to eliminate duplicates Z: 65 52.346 2.054 0.849 0.719 1.000 0.828 CB 1.413 65 residues pruned to eliminate duplicates Z: 71 45.302 1.994 0.738 0.689 0.929 0.743 CB 1.416 71 residues pruned to eliminate duplicates Z: 66 48.166 2.033 0.820 0.703 0.969 0.723 CB 1.385 66 residues pruned to eliminate duplicates Z: 60 48.588 2.057 0.787 0.760 0.966 0.729 CB 1.413 60 residues pruned to eliminate duplicates Z: 75 46.639 2.000 0.856 0.640 0.959 0.743 CB 1.336 75 residues pruned to eliminate duplicates Z: 65 48.532 2.047 0.798 0.721 0.984 0.734 CB 1.372 65 residues pruned to eliminate duplicates Z: 101 55.661 2.019 0.784 0.712 0.950 0.690 CB 1.342 102 residues pruned to eliminate duplicates Z: 15 31.722 2.011 1.382 0.905 0.929 0.500 CA 1.357 15 residues pruned to eliminate duplicates Z: 66 50.503 2.029 0.801 0.720 1.000 0.662 CB 1.405 66 residues pruned to eliminate duplicates Z: 66 50.254 2.047 0.870 0.705 0.969 0.754 CB 1.394 66 residues pruned to eliminate duplicates Z: 70 46.167 2.007 0.800 0.687 0.986 0.652 CB 1.316 70 residues pruned to eliminate duplicates Z: 65 53.933 2.060 0.982 0.718 0.969 0.672 CB 1.400 65 residues pruned to eliminate duplicates Z: 72 49.316 1.998 0.877 0.676 0.972 0.704 CB 1.366 72 residues pruned to eliminate duplicates Z: 79 47.213 1.954 0.803 0.680 0.974 0.731 CB 1.319 74 residues pruned to eliminate duplicates Z: 15 16.111 1.756 0.494 0.859 1.000 0.786 CB 1.208 15 residues pruned to eliminate duplicates Z: 65 47.724 2.035 0.748 0.717 0.984 0.734 CB 1.400 65 residues pruned to eliminate duplicates Z: 89 48.880 2.015 0.793 0.699 0.943 0.614 CB 1.276 89 residues pruned to eliminate duplicates Z: 67 49.262 1.991 0.900 0.718 0.985 0.636 CB 1.337 67 residues pruned to eliminate duplicates Z: 31 30.599 1.898 0.964 0.777 0.933 0.700 CB 1.257 31 residues pruned to eliminate duplicates Z: 32 27.295 1.882 1.055 0.735 0.903 0.548 CB 1.136 32 residues pruned to eliminate duplicates Z: 65 53.935 2.049 0.966 0.720 0.984 0.672 CB 1.394 65 residues pruned to eliminate duplicates Z: 70 48.334 2.033 0.823 0.678 0.971 0.696 CB 1.373 70 residues pruned to eliminate duplicates Z: 71 48.115 1.997 0.901 0.675 0.957 0.743 CB 1.348 71 residues pruned to eliminate duplicates Z: 66 47.565 2.023 0.882 0.710 0.954 0.738 CB 1.342 66 residues pruned to eliminate duplicates Z: 62 51.695 2.032 0.876 0.746 0.984 0.738 CB 1.417 62 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 22 B: 54 C: 55 D: 116 E: 22 F: 53 G: 115 CC for partial structure against native data = 42.63 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.471, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.550, Connect. = 0.770 for dens.mod. cycle 2 = 0.300, Contrast = 0.660, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 0.673, Connect. = 0.798 for dens.mod. cycle 4 = 0.300, Contrast = 0.686, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.691, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.697, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 0.700, Connect. = 0.803 for dens.mod. cycle 8 = 0.300, Contrast = 0.703, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 0.704, Connect. = 0.804 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2972 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 599 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 58.505 2.466 1.080 0.933 1.000 0.714 CB 1.737 B: 22 66.559 2.454 1.366 0.932 1.000 0.714 CB 1.746 22 residues pruned to eliminate duplicates C: 23 50.003 2.382 1.021 0.894 0.955 0.682 CB 1.664 23 residues pruned to eliminate duplicates D: 20 48.731 2.457 1.146 0.938 0.895 0.684 CB 1.648 20 residues pruned to eliminate duplicates E: 22 64.566 2.440 1.317 0.945 1.000 0.381 CB 1.724 22 residues pruned to eliminate duplicates F: 24 44.194 2.323 0.950 0.894 0.957 0.609 CB 1.525 24 residues pruned to eliminate duplicates G: 13 36.672 2.397 1.073 0.937 1.000 0.667 CB 1.482 13 residues pruned to eliminate duplicates H: 19 46.041 2.232 1.194 0.884 1.000 0.722 CA 1.602 I: 27 38.180 2.179 0.720 0.908 0.962 0.577 CB 1.476 J: 14 27.444 2.220 1.000 0.845 0.923 0.769 CB 1.381 K: 27 37.432 2.161 0.788 0.882 1.000 0.577 CB 1.374 27 residues pruned to eliminate duplicates L: 14 21.787 1.977 0.753 0.909 0.923 0.923 CB 1.341 M: 27 38.167 2.068 0.905 0.860 1.000 0.846 CA 1.398 N: 19 47.869 2.249 1.229 0.864 1.000 0.722 CA 1.650 19 residues pruned to eliminate duplicates O: 14 31.784 2.194 1.185 0.849 0.923 0.846 CB 1.476 14 residues pruned to eliminate duplicates P: 19 40.630 2.237 1.178 0.877 0.889 0.500 CB 1.606 19 residues pruned to eliminate duplicates Q: 18 32.815 2.252 0.878 0.842 0.882 0.529 CA 1.590 18 residues pruned to eliminate duplicates R: 18 40.252 2.253 1.178 0.893 0.882 0.588 CA 1.619 18 residues pruned to eliminate duplicates S: 21 39.374 2.111 0.943 0.922 1.000 0.700 CB 1.510 T: 26 25.738 2.158 0.222 0.918 0.960 0.800 CA 1.434 26 residues pruned to eliminate duplicates U: 25 17.787 1.899 0.668 0.393 0.917 0.500 CB 1.401 V: 16 46.338 2.261 1.200 0.940 1.000 0.600 CB 1.670 W: 22 72.473 2.475 1.532 0.945 1.000 0.619 CB 1.746 22 residues pruned to eliminate duplicates X: 17 42.519 2.202 1.200 0.919 1.000 0.875 CB 1.547 16 residues pruned to eliminate duplicates Y: 13 36.741 2.281 1.115 0.928 1.000 0.917 CA 1.540 14 residues pruned to eliminate duplicates Z: 19 35.921 2.161 1.085 0.826 0.889 0.444 CB 1.594 19 residues pruned to eliminate duplicates Z: 16 35.202 2.311 1.158 0.855 0.867 0.733 CA 1.551 16 residues pruned to eliminate duplicates Z: 17 46.274 2.229 1.247 0.941 1.000 0.688 CB 1.603 17 residues pruned to eliminate duplicates Z: 24 59.190 2.360 1.273 0.938 1.000 0.522 CB 1.600 24 residues pruned to eliminate duplicates Z: 15 24.424 2.152 1.027 0.786 0.929 0.643 CB 1.253 15 residues pruned to eliminate duplicates Z: 18 47.365 2.292 1.359 0.917 0.941 0.706 CA 1.593 18 residues pruned to eliminate duplicates Z: 19 37.908 2.149 1.143 0.930 0.944 0.722 CB 1.437 19 residues pruned to eliminate duplicates Z: 23 46.631 2.396 0.916 0.879 0.955 0.864 CB 1.646 23 residues pruned to eliminate duplicates Z: 14 19.467 2.135 0.398 0.629 1.000 0.769 CB 1.602 14 residues pruned to eliminate duplicates Z: 19 37.640 2.200 0.861 0.946 0.944 0.667 CA 1.586 19 residues pruned to eliminate duplicates Z: 18 43.150 2.176 1.184 0.896 1.000 0.529 CB 1.577 17 residues pruned to eliminate duplicates Z: 13 17.676 1.977 0.369 0.828 1.000 0.667 CB 1.420 Z: 14 32.163 2.233 0.990 0.919 1.000 0.692 CB 1.414 14 residues pruned to eliminate duplicates Z: 18 44.974 2.176 1.135 0.944 1.000 0.882 CB 1.626 18 residues pruned to eliminate duplicates Z: 17 47.893 2.235 1.190 0.931 1.000 0.938 CB 1.709 17 residues pruned to eliminate duplicates Z: 15 23.023 2.022 0.958 0.844 0.857 0.714 CB 1.349 15 residues pruned to eliminate duplicates Z: 17 46.475 2.269 1.139 0.942 1.000 0.812 CB 1.660 18 residues pruned to eliminate duplicates Z: 12 22.057 2.183 0.765 0.877 0.909 0.818 CB 1.379 Z: 26 34.747 2.212 0.509 0.908 1.000 0.800 CB 1.479 26 residues pruned to eliminate duplicates Z: 19 33.286 2.119 0.949 0.922 0.889 0.611 CB 1.503 18 residues pruned to eliminate duplicates Z: 27 36.352 2.168 0.820 0.865 0.923 0.385 CB 1.433 27 residues pruned to eliminate duplicates Z: 13 33.842 2.360 1.331 0.879 0.917 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 25 44.104 2.311 0.771 0.896 1.000 0.792 CB 1.576 23 residues pruned to eliminate duplicates Z: 12 20.452 1.979 0.494 0.889 1.000 1.000 CB 1.502 13 residues pruned to eliminate duplicates Z: 15 19.479 2.065 0.517 0.594 0.929 0.929 CB 1.635 15 residues pruned to eliminate duplicates Z: 18 40.904 2.154 1.097 0.939 1.000 0.824 CB 1.526 18 residues pruned to eliminate duplicates Z: 11 18.476 1.915 0.465 0.917 1.000 1.000 CA 1.470 11 residues pruned to eliminate duplicates Z: 21 43.679 2.133 1.210 0.928 0.950 0.500 CB 1.527 21 residues pruned to eliminate duplicates Z: 19 29.204 2.060 0.813 0.856 0.944 0.944 CA 1.439 19 residues pruned to eliminate duplicates Z: 26 31.996 2.238 0.436 0.906 0.920 0.760 CB 1.539 27 residues pruned to eliminate duplicates Z: 27 28.732 1.962 0.647 0.896 0.962 0.577 CB 1.299 Z: 18 43.563 2.268 1.112 0.848 1.000 0.588 CA 1.636 18 residues pruned to eliminate duplicates Z: 20 45.879 2.189 1.070 0.933 1.000 0.737 CA 1.620 20 residues pruned to eliminate duplicates Z: 18 36.881 2.150 0.958 0.929 0.941 0.882 CB 1.580 18 residues pruned to eliminate duplicates Z: 14 33.426 2.179 1.127 0.873 1.000 0.615 CB 1.457 Z: 15 23.062 2.101 0.688 0.840 0.929 0.929 CA 1.397 15 residues pruned to eliminate duplicates Z: 23 49.041 2.392 0.840 0.915 1.000 0.864 CB 1.679 23 residues pruned to eliminate duplicates Z: 15 20.950 2.056 0.745 0.544 0.929 0.714 CB 1.609 15 residues pruned to eliminate duplicates Z: 12 19.331 2.110 0.655 0.862 0.909 0.727 CB 1.348 12 residues pruned to eliminate duplicates Z: 23 50.244 2.333 1.090 0.927 1.000 0.500 CB 1.539 22 residues pruned to eliminate duplicates Z: 20 43.270 2.210 0.929 0.913 1.000 0.842 CA 1.648 20 residues pruned to eliminate duplicates Z: 18 42.167 2.186 1.121 0.894 0.941 0.941 CA 1.682 19 residues pruned to eliminate duplicates Z: 15 21.844 2.088 0.703 0.863 1.000 0.786 CA 1.204 14 residues pruned to eliminate duplicates Z: 19 45.573 2.236 1.354 0.935 0.944 0.611 CA 1.506 19 residues pruned to eliminate duplicates Z: 17 25.157 1.909 0.817 0.838 1.000 0.688 CA 1.355 17 residues pruned to eliminate duplicates Z: 14 30.641 2.189 1.181 0.907 1.000 0.846 CA 1.265 14 residues pruned to eliminate duplicates Z: 14 28.055 2.263 0.934 0.834 0.923 0.692 CB 1.444 14 residues pruned to eliminate duplicates Z: 9 13.482 2.066 0.293 0.820 1.000 0.750 CA 1.352 9 residues pruned to eliminate duplicates Z: 23 58.960 2.362 1.301 0.912 1.000 0.636 CB 1.638 23 residues pruned to eliminate duplicates Z: 24 57.794 2.323 1.260 0.944 1.000 0.609 CB 1.589 24 residues pruned to eliminate duplicates Z: 45 32.260 2.060 0.817 0.613 0.909 0.523 CB 1.285 14 residues pruned to eliminate duplicates Z: 23 60.741 2.389 1.263 0.932 1.000 0.545 CB 1.672 25 residues pruned to eliminate duplicates Z: 45 34.971 2.086 0.741 0.624 0.932 0.614 CB 1.386 45 residues pruned to eliminate duplicates Z: 27 24.642 1.981 0.590 0.858 0.923 0.615 CB 1.224 27 residues pruned to eliminate duplicates Z: 25 36.859 2.266 0.681 0.902 0.958 0.917 CA 1.469 25 residues pruned to eliminate duplicates Z: 17 16.568 1.823 0.491 0.846 0.938 0.688 CA 1.207 17 residues pruned to eliminate duplicates Z: 16 22.052 1.944 0.386 0.902 1.000 0.933 CA 1.507 16 residues pruned to eliminate duplicates Z: 16 24.916 2.020 0.494 0.898 1.000 0.867 CA 1.525 16 residues pruned to eliminate duplicates Z: 14 25.460 2.121 1.230 0.875 0.846 0.538 CB 1.283 14 residues pruned to eliminate duplicates Z: 26 33.490 2.181 0.801 0.910 0.880 0.640 CB 1.375 26 residues pruned to eliminate duplicates Z: 11 23.575 2.081 0.850 0.914 1.000 0.700 CB 1.370 11 residues pruned to eliminate duplicates Z: 15 28.034 2.011 0.988 0.893 1.000 0.857 CA 1.345 14 residues pruned to eliminate duplicates Z: 20 37.736 2.188 0.678 0.934 1.000 0.737 CB 1.644 20 residues pruned to eliminate duplicates Z: 22 30.388 2.036 0.717 0.858 0.952 0.524 CB 1.466 22 residues pruned to eliminate duplicates Z: 25 44.795 2.284 0.854 0.906 1.000 0.792 CA 1.536 23 residues pruned to eliminate duplicates Z: 26 35.914 2.139 0.881 0.857 0.960 0.800 CA 1.370 27 residues pruned to eliminate duplicates Z: 26 40.444 2.223 0.924 0.905 0.960 0.680 CB 1.402 26 residues pruned to eliminate duplicates Z: 20 49.548 2.232 1.189 0.932 1.000 0.684 CA 1.624 21 residues pruned to eliminate duplicates Z: 16 33.100 2.038 0.912 0.899 1.000 0.800 CB 1.567 16 residues pruned to eliminate duplicates Z: 21 26.006 2.056 0.537 0.873 0.900 0.800 CA 1.489 21 residues pruned to eliminate duplicates Z: 26 32.966 2.211 0.424 0.926 1.000 0.800 CB 1.469 26 residues pruned to eliminate duplicates Z: 27 34.029 2.005 0.838 0.912 0.962 0.577 CB 1.334 27 residues pruned to eliminate duplicates Z: 27 37.571 2.166 0.739 0.902 0.962 0.692 CB 1.451 27 residues pruned to eliminate duplicates Z: 29 46.281 2.232 1.001 0.853 0.929 0.643 CB 1.559 29 residues pruned to eliminate duplicates Z: 25 36.776 2.291 0.455 0.924 1.000 0.792 CB 1.581 25 residues pruned to eliminate duplicates Z: 30 55.475 2.200 1.208 0.866 0.966 0.862 CB 1.608 30 residues pruned to eliminate duplicates Z: 6 13.024 1.997 0.702 0.872 0.800 0.800 CB 1.561 6 residues pruned to eliminate duplicates Z: 13 33.338 2.272 1.175 0.926 0.917 0.667 CB 1.489 13 residues pruned to eliminate duplicates Z: 14 34.954 2.181 1.350 0.940 0.923 0.846 CA 1.423 14 residues pruned to eliminate duplicates Z: 13 17.287 1.948 0.690 0.780 1.000 0.667 CB 1.185 13 residues pruned to eliminate duplicates Z: 13 26.498 2.255 0.586 0.880 1.000 0.750 CA 1.550 13 residues pruned to eliminate duplicates Z: 14 27.352 2.151 1.371 0.881 0.846 0.538 CA 1.273 14 residues pruned to eliminate duplicates Z: 14 16.476 2.013 0.178 0.885 1.000 0.846 CA 1.391 14 residues pruned to eliminate duplicates Z: 15 28.358 2.111 0.867 0.900 0.929 0.786 CB 1.479 15 residues pruned to eliminate duplicates Z: 21 20.033 1.914 0.432 0.795 0.950 0.700 CB 1.327 21 residues pruned to eliminate duplicates Z: 16 21.229 1.906 0.865 0.759 1.000 0.600 CA 1.225 16 residues pruned to eliminate duplicates Z: 19 46.683 2.304 1.275 0.855 0.944 0.556 CA 1.641 19 residues pruned to eliminate duplicates Z: 12 12.554 1.810 0.325 0.834 0.909 0.636 CA 1.302 Z: 22 55.983 2.421 1.286 0.932 0.952 0.619 CB 1.618 22 residues pruned to eliminate duplicates Z: 16 26.195 2.062 0.546 0.884 1.000 0.933 CA 1.533 16 residues pruned to eliminate duplicates Z: 13 30.960 2.388 0.754 0.932 1.000 0.917 CB 1.490 13 residues pruned to eliminate duplicates Z: 30 38.910 2.188 0.934 0.807 0.931 0.759 CB 1.403 30 residues pruned to eliminate duplicates Z: 111 65.939 2.160 0.960 0.626 0.882 0.636 CB 1.496 101 residues pruned to eliminate duplicates Z: 7 8.952 1.976 0.112 0.764 1.000 0.833 CA 1.316 7 residues pruned to eliminate duplicates Z: 26 27.207 2.061 0.361 0.917 1.000 0.920 CB 1.369 26 residues pruned to eliminate duplicates Z: 6 11.849 1.950 0.678 0.673 1.000 1.000 CB 1.380 6 residues pruned to eliminate duplicates Z: 15 24.094 2.046 0.688 0.901 0.929 0.714 CB 1.434 15 residues pruned to eliminate duplicates Z: 12 12.063 1.809 0.208 0.817 1.000 0.909 CB 1.265 12 residues pruned to eliminate duplicates Z: 26 36.036 2.232 0.647 0.905 0.960 0.640 CB 1.453 26 residues pruned to eliminate duplicates Z: 8 9.404 1.968 0.672 0.548 0.714 0.714 CB 1.443 8 residues pruned to eliminate duplicates Z: 24 47.752 2.217 1.312 0.853 0.957 0.391 CB 1.501 24 residues pruned to eliminate duplicates Z: 12 11.389 1.790 0.255 0.775 0.909 0.818 CA 1.319 12 residues pruned to eliminate duplicates Z: 20 31.484 2.071 0.949 0.888 0.842 0.421 CA 1.532 20 residues pruned to eliminate duplicates Z: 15 24.263 2.126 0.978 0.848 0.857 0.429 CB 1.334 15 residues pruned to eliminate duplicates Z: 26 30.761 2.053 0.772 0.892 0.960 0.560 CB 1.265 26 residues pruned to eliminate duplicates Z: 27 37.271 2.165 0.793 0.890 0.962 0.538 CB 1.408 27 residues pruned to eliminate duplicates Z: 27 32.754 2.008 0.785 0.903 0.962 0.615 CB 1.329 27 residues pruned to eliminate duplicates Z: 26 30.997 2.025 0.749 0.891 0.920 0.640 CB 1.368 26 residues pruned to eliminate duplicates Z: 11 15.938 1.917 0.254 0.884 1.000 0.900 CB 1.515 12 residues pruned to eliminate duplicates Z: 19 30.315 2.198 0.471 0.929 1.000 0.889 CA 1.546 19 residues pruned to eliminate duplicates Z: 13 20.301 1.883 1.219 0.837 0.917 0.667 CB 1.145 13 residues pruned to eliminate duplicates Z: 25 34.362 2.098 0.640 0.916 1.000 0.750 CB 1.439 25 residues pruned to eliminate duplicates Z: 18 38.799 2.172 0.949 0.907 1.000 0.941 CA 1.580 18 residues pruned to eliminate duplicates Z: 21 32.415 2.123 0.544 0.918 1.000 0.700 CA 1.559 20 residues pruned to eliminate duplicates Z: 20 28.250 2.165 0.391 0.936 1.000 0.947 CA 1.498 20 residues pruned to eliminate duplicates Z: 10 13.013 1.843 0.217 0.855 1.000 0.667 CB 1.427 10 residues pruned to eliminate duplicates Z: 20 51.613 2.193 1.336 0.918 1.000 0.368 CB 1.630 21 residues pruned to eliminate duplicates Z: 15 23.684 2.111 1.086 0.889 0.786 0.286 CB 1.317 15 residues pruned to eliminate duplicates Z: 24 47.139 2.335 0.912 0.934 1.000 0.957 CB 1.535 24 residues pruned to eliminate duplicates Z: 20 45.967 2.224 1.020 0.934 1.000 0.632 CA 1.637 20 residues pruned to eliminate duplicates Z: 19 21.298 2.112 0.175 0.918 1.000 0.833 CA 1.426 19 residues pruned to eliminate duplicates Z: 16 26.440 1.965 0.673 0.902 1.000 0.600 CA 1.481 16 residues pruned to eliminate duplicates Z: 16 28.395 1.957 0.999 0.888 0.933 0.800 CA 1.447 16 residues pruned to eliminate duplicates Z: 15 19.662 1.856 0.589 0.821 1.000 0.857 CA 1.349 12 residues pruned to eliminate duplicates Z: 13 17.992 1.886 0.446 0.899 1.000 0.917 CA 1.362 12 residues pruned to eliminate duplicates Z: 15 31.431 2.098 1.031 0.906 0.929 0.714 CB 1.509 15 residues pruned to eliminate duplicates Z: 15 21.264 2.122 0.677 0.579 0.929 0.643 CB 1.595 15 residues pruned to eliminate duplicates Z: 26 35.011 2.243 0.429 0.918 1.000 0.840 CB 1.541 26 residues pruned to eliminate duplicates Z: 45 42.015 2.208 0.659 0.664 0.977 0.727 CB 1.520 54 residues pruned to eliminate duplicates Z: 58 64.377 2.250 1.132 0.654 0.982 0.632 CA 1.568 62 residues pruned to eliminate duplicates Z: 27 25.474 1.964 0.415 0.896 0.962 0.846 CA 1.340 27 residues pruned to eliminate duplicates Z: 11 14.999 1.980 0.373 0.882 1.000 0.800 CA 1.263 11 residues pruned to eliminate duplicates Z: 18 46.853 2.271 1.265 0.912 1.000 0.882 CA 1.564 18 residues pruned to eliminate duplicates Z: 15 25.102 2.049 0.640 0.882 0.929 0.786 CA 1.556 15 residues pruned to eliminate duplicates Z: 26 30.865 2.069 0.646 0.902 0.960 0.600 CB 1.346 26 residues pruned to eliminate duplicates Z: 27 27.345 1.978 0.543 0.837 0.962 0.731 CA 1.367 27 residues pruned to eliminate duplicates Z: 16 27.957 1.998 1.049 0.876 0.867 0.733 CB 1.478 16 residues pruned to eliminate duplicates Z: 15 26.577 2.055 0.865 0.881 0.929 0.929 CB 1.445 15 residues pruned to eliminate duplicates Z: 15 24.573 2.039 0.621 0.902 0.929 0.857 CB 1.527 15 residues pruned to eliminate duplicates Z: 27 25.593 1.956 0.392 0.875 1.000 0.769 CA 1.340 27 residues pruned to eliminate duplicates Z: 14 29.400 2.157 0.738 0.896 1.000 0.923 CA 1.559 14 residues pruned to eliminate duplicates Z: 22 45.482 2.366 0.784 0.927 1.000 0.762 CB 1.648 22 residues pruned to eliminate duplicates Z: 16 25.938 1.974 0.830 0.884 0.933 0.867 CB 1.435 16 residues pruned to eliminate duplicates Z: 38 43.426 2.187 0.843 0.617 1.000 0.703 CB 1.586 38 residues pruned to eliminate duplicates Z: 10 12.126 1.932 0.323 0.869 1.000 0.778 CB 1.155 10 residues pruned to eliminate duplicates Z: 18 44.070 2.270 1.297 0.892 0.941 0.765 CA 1.565 18 residues pruned to eliminate duplicates Z: 20 43.113 2.167 1.054 0.915 0.947 0.421 CB 1.657 20 residues pruned to eliminate duplicates Z: 13 18.323 1.902 0.770 0.875 0.917 0.750 CB 1.246 Z: 15 28.003 1.971 1.269 0.867 0.929 0.714 CB 1.318 15 residues pruned to eliminate duplicates Z: 10 17.687 2.165 0.407 0.893 1.000 1.000 CB 1.390 10 residues pruned to eliminate duplicates Z: 25 35.128 2.208 0.857 0.855 0.958 0.583 CB 1.347 25 residues pruned to eliminate duplicates Z: 15 34.476 2.193 0.895 0.896 1.000 0.786 CB 1.588 15 residues pruned to eliminate duplicates Z: 19 21.583 2.091 0.211 0.905 0.944 0.889 CA 1.514 19 residues pruned to eliminate duplicates Z: 12 21.182 2.041 0.567 0.906 1.000 0.909 CB 1.420 12 residues pruned to eliminate duplicates Z: 12 17.176 1.942 0.584 0.907 1.000 0.909 CA 1.196 Z: 26 30.366 1.999 0.860 0.881 0.920 0.600 CB 1.286 26 residues pruned to eliminate duplicates Z: 26 27.151 2.056 0.505 0.905 0.920 0.840 CB 1.357 26 residues pruned to eliminate duplicates Z: 26 26.809 1.996 0.452 0.911 0.960 0.760 CA 1.366 27 residues pruned to eliminate duplicates Z: 13 8.743 1.944 0.717 0.259 0.750 0.250 CA 1.328 13 residues pruned to eliminate duplicates Z: 12 28.460 2.350 0.821 0.890 0.909 0.909 CB 1.587 12 residues pruned to eliminate duplicates Z: 17 42.007 2.219 1.330 0.915 0.938 0.812 CB 1.531 17 residues pruned to eliminate duplicates Z: 15 25.299 2.075 0.642 0.866 1.000 0.786 CB 1.453 15 residues pruned to eliminate duplicates Z: 14 16.630 1.736 0.691 0.849 0.923 0.769 CA 1.262 14 residues pruned to eliminate duplicates Z: 12 17.326 1.961 0.530 0.846 1.000 0.909 CB 1.294 12 residues pruned to eliminate duplicates Z: 26 35.892 2.038 0.840 0.915 1.000 0.680 CB 1.352 25 residues pruned to eliminate duplicates Z: 12 14.252 1.826 0.444 0.872 1.000 0.818 CB 1.187 12 residues pruned to eliminate duplicates Z: 58 55.588 2.167 1.096 0.650 0.930 0.596 CB 1.516 58 residues pruned to eliminate duplicates Z: 16 43.074 2.237 1.044 0.922 1.000 0.933 CB 1.711 16 residues pruned to eliminate duplicates Z: 27 32.998 1.994 0.663 0.915 1.000 0.769 CB 1.379 27 residues pruned to eliminate duplicates Z: 15 32.621 2.136 1.129 0.924 1.000 0.714 CA 1.346 15 residues pruned to eliminate duplicates Z: 11 16.263 1.917 0.668 0.868 1.000 0.600 CB 1.176 11 residues pruned to eliminate duplicates Z: 9 13.817 1.845 0.489 0.897 1.000 0.875 CB 1.273 9 residues pruned to eliminate duplicates Z: 27 28.614 2.006 0.825 0.868 0.885 0.654 CB 1.267 27 residues pruned to eliminate duplicates 6 1.942 1.711 0.660 0.300 0.800 0.400 CB 0.478 ? Z: 15 28.235 2.018 1.048 0.891 0.929 0.857 CB 1.413 15 residues pruned to eliminate duplicates Z: 13 25.396 2.208 0.948 0.894 0.917 0.417 CB 1.334 13 residues pruned to eliminate duplicates Z: 12 17.089 1.985 0.531 0.853 1.000 0.909 CA 1.254 12 residues pruned to eliminate duplicates Z: 10 14.259 1.865 0.267 0.912 1.000 0.889 CA 1.424 10 residues pruned to eliminate duplicates Z: 16 31.546 2.023 0.981 0.842 1.000 0.733 CB 1.515 16 residues pruned to eliminate duplicates Z: 15 29.701 2.054 1.363 0.922 0.929 0.714 CA 1.238 15 residues pruned to eliminate duplicates Z: 12 20.447 1.949 0.898 0.867 1.000 0.818 CA 1.219 12 residues pruned to eliminate duplicates Z: 12 15.309 1.983 0.543 0.820 1.000 0.909 CA 1.144 12 residues pruned to eliminate duplicates Z: 13 18.599 1.968 0.873 0.739 0.917 0.833 CA 1.283 13 residues pruned to eliminate duplicates Z: 15 26.797 2.003 1.030 0.844 0.929 0.714 CB 1.411 15 residues pruned to eliminate duplicates Z: 21 11.284 1.806 0.265 0.419 0.900 0.650 CA 1.335 21 residues pruned to eliminate duplicates Z: 25 32.310 2.202 0.507 0.903 0.958 0.792 CB 1.478 25 residues pruned to eliminate duplicates Z: 13 17.352 1.864 0.521 0.907 1.000 0.917 CB 1.256 13 residues pruned to eliminate duplicates Z: 13 23.302 1.947 0.776 0.913 1.000 0.667 CA 1.377 13 residues pruned to eliminate duplicates Z: 13 31.937 2.247 1.150 0.915 0.917 0.750 CB 1.471 13 residues pruned to eliminate duplicates Z: 19 26.613 2.104 0.473 0.935 1.000 0.889 CA 1.411 19 residues pruned to eliminate duplicates Z: 15 25.560 1.927 1.221 0.911 0.857 0.643 CA 1.320 15 residues pruned to eliminate duplicates Z: 14 19.721 2.191 0.776 0.834 0.846 0.692 CB 1.245 14 residues pruned to eliminate duplicates Z: 6 3.463 1.427 0.568 0.506 1.000 0.600 CB 0.688 Z: 6 8.393 1.696 0.354 0.818 1.000 0.800 CA 1.241 Z: 10 15.313 1.803 0.464 0.886 1.000 0.778 CB 1.395 10 residues pruned to eliminate duplicates Z: 20 39.511 2.190 1.090 0.893 0.947 0.789 CA 1.501 20 residues pruned to eliminate duplicates Z: 26 19.431 1.893 0.585 0.595 0.880 0.400 CB 1.345 36 residues pruned to eliminate duplicates Z: 25 17.305 1.928 0.666 0.480 0.833 0.667 CB 1.346 25 residues pruned to eliminate duplicates Z: 72 43.383 2.072 0.610 0.641 0.901 0.690 CB 1.501 98 residues pruned to eliminate duplicates Z: 14 16.645 1.770 0.557 0.884 1.000 0.923 CA 1.210 14 residues pruned to eliminate duplicates Z: 18 48.753 2.267 1.391 0.888 1.000 0.706 CA 1.571 18 residues pruned to eliminate duplicates Z: 9 17.792 2.227 0.699 0.828 0.875 0.375 CA 1.430 9 residues pruned to eliminate duplicates Z: 15 25.570 1.918 1.160 0.897 0.929 0.643 CB 1.272 15 residues pruned to eliminate duplicates Z: 7 5.516 1.974 0.543 0.244 0.667 0.500 CA 1.491 7 residues pruned to eliminate duplicates Z: 15 28.706 2.062 1.443 0.887 0.857 0.714 CA 1.281 15 residues pruned to eliminate duplicates Z: 13 18.190 1.890 0.742 0.903 0.833 0.750 CB 1.364 13 residues pruned to eliminate duplicates Z: 12 20.928 2.080 0.826 0.818 0.909 0.727 CB 1.386 12 residues pruned to eliminate duplicates Z: 18 17.818 1.996 0.343 0.640 0.882 0.706 CA 1.603 18 residues pruned to eliminate duplicates Z: 16 14.097 1.767 0.550 0.850 0.933 0.733 CB 1.055 Z: 30 35.254 2.213 0.925 0.580 0.931 0.655 CA 1.529 30 residues pruned to eliminate duplicates Z: 8 17.809 1.830 1.213 0.879 1.000 0.714 CA 1.206 8 residues pruned to eliminate duplicates Z: 19 30.708 2.170 0.491 0.941 1.000 0.889 CA 1.553 19 residues pruned to eliminate duplicates Z: 15 30.892 2.037 1.310 0.871 0.929 0.786 CA 1.378 15 residues pruned to eliminate duplicates Z: 14 13.888 1.935 0.547 0.816 0.923 0.846 CB 1.060 14 residues pruned to eliminate duplicates Z: 18 4.882 1.590 0.120 0.202 0.882 0.588 CB 1.074 Z: 13 14.890 2.059 0.150 0.923 1.000 1.000 CA 1.276 13 residues pruned to eliminate duplicates Z: 11 15.977 1.884 0.753 0.815 0.800 0.500 CB 1.454 11 residues pruned to eliminate duplicates Z: 45 54.800 2.205 1.026 0.823 0.977 0.773 CA 1.430 45 residues pruned to eliminate duplicates Z: 16 13.471 1.694 0.419 0.862 1.000 0.867 CB 1.063 17 residues pruned to eliminate duplicates Z: 16 20.336 1.966 0.457 0.878 0.933 0.733 CA 1.425 16 residues pruned to eliminate duplicates Z: 25 10.332 1.601 0.306 0.620 0.917 0.625 CB 0.983 11 residues pruned to eliminate duplicates 6 0.985 1.584 -0.215 0.300 0.600 0.600 CB 0.738 ? Z: 12 16.111 1.851 0.575 0.837 1.000 0.727 CB 1.246 12 residues pruned to eliminate duplicates Z: 27 26.762 2.131 0.271 0.886 0.962 0.692 CA 1.453 Z: 73 59.851 2.183 0.839 0.681 0.958 0.694 CA 1.553 73 residues pruned to eliminate duplicates Z: 27 31.994 1.990 0.948 0.926 0.923 0.462 CB 1.229 27 residues pruned to eliminate duplicates Z: 10 11.685 1.852 0.208 0.891 0.889 0.778 CB 1.408 10 residues pruned to eliminate duplicates Z: 37 38.952 2.230 0.709 0.634 0.972 0.778 CA 1.546 37 residues pruned to eliminate duplicates Z: 14 22.141 2.010 1.080 0.889 0.923 0.538 CB 1.146 14 residues pruned to eliminate duplicates Z: 21 16.889 2.009 0.717 0.484 0.900 0.400 CB 1.236 15 residues pruned to eliminate duplicates Z: 18 13.209 1.849 0.419 0.770 0.882 0.765 CB 1.090 18 residues pruned to eliminate duplicates Z: 32 32.810 2.114 0.652 0.724 0.871 0.516 CB 1.583 33 residues pruned to eliminate duplicates Z: 32 33.738 2.205 0.499 0.780 0.935 0.839 CA 1.531 32 residues pruned to eliminate duplicates Z: 69 63.160 2.244 0.872 0.706 0.926 0.691 CA 1.632 69 residues pruned to eliminate duplicates Z: 17 16.313 1.686 0.710 0.858 1.000 0.812 CB 1.041 15 residues pruned to eliminate duplicates Z: 6 4.739 1.557 0.300 0.627 0.800 0.400 N 1.162 Z: 25 34.541 2.309 0.476 0.939 1.000 1.000 CA 1.438 25 residues pruned to eliminate duplicates Z: 27 27.649 1.988 0.473 0.891 1.000 0.769 CB 1.331 27 residues pruned to eliminate duplicates Z: 14 14.759 1.744 0.687 0.882 1.000 0.769 CB 1.007 14 residues pruned to eliminate duplicates Z: 6 7.387 2.017 0.252 0.621 0.800 0.600 CA 1.459 6 residues pruned to eliminate duplicates Z: 9 16.741 1.935 0.415 0.908 1.000 0.875 CB 1.535 9 residues pruned to eliminate duplicates Z: 27 21.890 1.944 0.247 0.891 1.000 0.923 CA 1.272 27 residues pruned to eliminate duplicates Z: 15 23.058 1.849 0.694 0.914 1.000 0.429 CB 1.391 15 residues pruned to eliminate duplicates Z: 15 24.377 2.096 0.592 0.866 1.000 0.786 CA 1.430 15 residues pruned to eliminate duplicates Z: 16 17.615 1.871 0.490 0.912 1.000 0.800 CA 1.155 16 residues pruned to eliminate duplicates Z: 43 28.685 2.006 0.756 0.609 0.857 0.595 CB 1.321 43 residues pruned to eliminate duplicates Z: 15 26.884 2.000 1.241 0.873 0.929 0.571 CB 1.257 15 residues pruned to eliminate duplicates Z: 25 32.067 2.222 0.443 0.904 1.000 0.792 CA 1.455 25 residues pruned to eliminate duplicates Z: 15 29.849 1.975 1.353 0.871 1.000 0.357 CB 1.252 15 residues pruned to eliminate duplicates Z: 15 12.339 1.771 0.350 0.873 0.929 0.714 CB 1.082 15 residues pruned to eliminate duplicates Z: 14 23.516 1.982 0.828 0.834 0.923 0.692 CB 1.462 15 residues pruned to eliminate duplicates Z: 15 31.664 2.009 1.183 0.905 1.000 0.857 CA 1.373 15 residues pruned to eliminate duplicates Z: 12 21.733 1.951 0.977 0.888 1.000 0.909 CA 1.224 12 residues pruned to eliminate duplicates Z: 26 32.180 2.032 0.797 0.901 0.920 0.640 CB 1.368 26 residues pruned to eliminate duplicates Z: 19 31.886 2.079 0.943 0.875 1.000 0.833 CA 1.353 19 residues pruned to eliminate duplicates Z: 9 2.746 1.499 0.479 0.243 0.750 0.500 CB 0.785 Z: 27 24.694 1.980 0.362 0.873 0.962 0.846 CB 1.360 27 residues pruned to eliminate duplicates Z: 13 15.164 1.871 0.538 0.908 0.833 0.500 CA 1.297 13 residues pruned to eliminate duplicates Z: 14 29.196 2.154 0.836 0.881 0.923 0.538 CB 1.607 14 residues pruned to eliminate duplicates Z: 7 3.553 1.679 0.339 0.496 0.667 0.500 N 0.972 Z: 11 16.794 1.905 0.766 0.881 0.900 0.400 CB 1.270 11 residues pruned to eliminate duplicates Z: 17 19.514 1.831 0.840 0.857 0.938 0.688 CA 1.138 17 residues pruned to eliminate duplicates Z: 13 38.007 2.299 1.238 0.916 1.000 0.917 CA 1.505 13 residues pruned to eliminate duplicates Z: 25 24.623 2.046 0.291 0.897 1.000 0.875 CA 1.362 25 residues pruned to eliminate duplicates Z: 14 14.666 1.769 0.652 0.883 1.000 0.615 CB 1.007 14 residues pruned to eliminate duplicates Z: 12 15.690 1.805 0.590 0.821 1.000 0.727 CB 1.248 12 residues pruned to eliminate duplicates Z: 14 36.288 2.246 1.305 0.913 0.923 0.538 CA 1.491 14 residues pruned to eliminate duplicates Z: 9 9.339 1.646 0.347 0.862 1.000 0.750 CB 1.094 Z: 6 5.746 1.580 0.213 0.776 1.000 0.800 CB 1.051 6 residues pruned to eliminate duplicates Z: 27 40.211 2.137 0.985 0.915 0.962 0.423 CB 1.366 31 residues pruned to eliminate duplicates Z: 21 38.647 2.147 1.081 0.883 0.950 0.400 CB 1.473 21 residues pruned to eliminate duplicates Z: 13 26.578 2.171 0.922 0.933 1.000 0.833 CA 1.283 13 residues pruned to eliminate duplicates Z: 9 2.520 1.665 0.514 0.086 0.625 0.375 CB 0.965 Z: 9 10.688 1.621 0.452 0.911 1.000 0.625 CB 1.138 8 residues pruned to eliminate duplicates Z: 9 9.858 1.643 0.348 0.886 1.000 0.875 CB 1.135 9 residues pruned to eliminate duplicates Z: 15 18.430 1.812 0.689 0.891 0.929 0.929 CB 1.246 16 residues pruned to eliminate duplicates Z: 19 11.970 1.881 -0.027 0.795 0.944 0.833 CB 1.261 19 residues pruned to eliminate duplicates Z: 15 14.724 1.870 0.631 0.857 0.929 0.500 CB 1.024 15 residues pruned to eliminate duplicates Z: 17 37.931 2.315 1.233 0.923 1.000 0.500 CB 1.289 17 residues pruned to eliminate duplicates Z: 19 37.892 2.102 1.090 0.903 0.944 0.889 CA 1.534 19 residues pruned to eliminate duplicates Z: 25 30.889 2.233 0.297 0.934 1.000 0.917 CB 1.518 25 residues pruned to eliminate duplicates Z: 12 11.639 1.681 0.251 0.873 1.000 0.818 CA 1.215 12 residues pruned to eliminate duplicates Z: 16 11.504 1.749 0.244 0.816 0.933 0.800 CB 1.111 16 residues pruned to eliminate duplicates Z: 16 25.918 2.342 0.751 0.887 0.867 0.533 CB 1.358 16 residues pruned to eliminate duplicates Z: 18 51.305 2.318 1.331 0.933 1.000 0.765 CA 1.608 18 residues pruned to eliminate duplicates Z: 10 21.214 1.980 0.839 0.800 1.000 0.889 CA 1.494 10 residues pruned to eliminate duplicates Z: 12 11.948 1.766 0.394 0.839 1.000 0.818 CB 1.093 12 residues pruned to eliminate duplicates Z: 18 13.128 1.858 0.788 0.375 0.882 0.471 CB 1.241 18 residues pruned to eliminate duplicates Z: 14 12.629 1.941 0.933 0.665 0.846 0.769 CB 0.947 14 residues pruned to eliminate duplicates Z: 11 3.449 1.262 0.291 0.303 0.900 0.500 C 0.926 Z: 10 20.571 1.948 0.676 0.899 1.000 0.889 CA 1.502 11 residues pruned to eliminate duplicates Z: 12 9.450 1.557 0.351 0.877 0.909 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 13 9.234 2.012 0.393 0.337 0.750 0.667 CA 1.516 13 residues pruned to eliminate duplicates Z: 13 26.756 2.091 0.919 0.875 0.917 0.417 CA 1.527 13 residues pruned to eliminate duplicates Z: 23 27.045 2.307 0.140 0.962 1.000 1.000 CA 1.500 23 residues pruned to eliminate duplicates Z: 26 32.285 2.018 0.967 0.919 0.920 0.640 CB 1.246 26 residues pruned to eliminate duplicates Z: 11 19.167 1.880 0.604 0.914 1.000 0.700 CB 1.422 11 residues pruned to eliminate duplicates Z: 27 25.392 2.149 0.802 0.550 0.808 0.615 CB 1.516 27 residues pruned to eliminate duplicates Z: 12 21.019 1.856 0.873 0.906 1.000 0.636 CA 1.296 12 residues pruned to eliminate duplicates Z: 9 9.987 1.605 0.419 0.893 1.000 0.750 CB 1.113 9 residues pruned to eliminate duplicates Z: 18 34.817 2.123 1.042 0.899 0.941 0.882 CA 1.479 18 residues pruned to eliminate duplicates Z: 25 38.441 2.310 0.628 0.904 1.000 0.917 CA 1.486 25 residues pruned to eliminate duplicates Z: 16 13.494 1.710 0.299 0.894 1.000 0.867 CB 1.125 16 residues pruned to eliminate duplicates Z: 13 33.650 2.249 1.398 0.905 0.917 0.500 CA 1.399 13 residues pruned to eliminate duplicates Z: 14 28.972 2.230 0.793 0.856 1.000 0.692 CB 1.483 14 residues pruned to eliminate duplicates Z: 44 42.685 2.189 0.876 0.584 0.930 0.558 CA 1.572 44 residues pruned to eliminate duplicates Z: 14 15.963 2.072 0.302 0.842 1.000 0.846 CA 1.223 14 residues pruned to eliminate duplicates Z: 13 20.177 1.835 1.249 0.854 0.917 0.750 CA 1.137 13 residues pruned to eliminate duplicates Z: 16 17.159 1.738 0.830 0.877 0.933 0.667 CB 1.084 16 residues pruned to eliminate duplicates Z: 9 9.568 1.582 0.377 0.873 1.000 0.625 CB 1.132 9 residues pruned to eliminate duplicates Z: 9 2.988 1.547 0.561 0.293 0.625 0.375 CB 0.882 9 residues pruned to eliminate duplicates Z: 31 28.290 2.023 0.714 0.738 1.000 0.567 CB 1.204 31 residues pruned to eliminate duplicates Z: 36 24.609 1.979 0.331 0.739 0.943 0.800 CB 1.352 36 residues pruned to eliminate duplicates Z: 27 32.063 1.997 0.669 0.894 1.000 0.769 CB 1.353 27 residues pruned to eliminate duplicates Z: 41 19.659 1.738 0.506 0.673 0.850 0.625 CB 1.191 31 residues pruned to eliminate duplicates Z: 39 52.402 2.225 1.084 0.619 1.000 0.632 CA 1.638 39 residues pruned to eliminate duplicates Z: 18 27.699 2.148 0.732 0.696 1.000 0.765 CB 1.510 18 residues pruned to eliminate duplicates Z: 16 35.279 2.248 1.228 0.739 0.933 0.533 CB 1.573 16 residues pruned to eliminate duplicates Z: 10 7.524 1.636 0.137 0.865 0.889 0.667 CB 1.111 10 residues pruned to eliminate duplicates Z: 72 55.475 2.131 0.917 0.669 0.887 0.704 CA 1.554 72 residues pruned to eliminate duplicates Z: 26 28.783 2.177 0.408 0.910 0.960 0.680 CB 1.388 26 residues pruned to eliminate duplicates Z: 70 46.376 2.013 0.817 0.684 0.957 0.681 CB 1.349 75 residues pruned to eliminate duplicates Z: 13 34.884 2.270 1.142 0.928 1.000 0.833 CA 1.450 13 residues pruned to eliminate duplicates Z: 104 49.509 1.954 0.765 0.658 0.922 0.670 CB 1.324 101 residues pruned to eliminate duplicates Z: 13 19.923 1.898 0.740 0.910 0.917 0.833 CB 1.347 13 residues pruned to eliminate duplicates Z: 23 55.094 2.357 1.278 0.936 0.955 0.682 CB 1.596 23 residues pruned to eliminate duplicates Z: 14 30.284 1.994 1.025 0.943 1.000 0.308 CB 1.441 14 residues pruned to eliminate duplicates Z: 26 23.308 2.012 0.549 0.872 0.880 0.680 CB 1.239 26 residues pruned to eliminate duplicates Z: 14 26.749 2.096 0.921 0.863 0.923 0.462 CA 1.464 14 residues pruned to eliminate duplicates Z: 14 15.894 1.812 0.755 0.922 0.923 0.846 CB 1.056 14 residues pruned to eliminate duplicates Z: 11 5.866 1.721 0.546 0.246 0.800 0.600 CB 1.169 Z: 10 6.979 1.620 0.143 0.861 1.000 0.667 CB 0.923 10 residues pruned to eliminate duplicates Z: 16 32.731 2.018 1.052 0.900 0.933 0.867 CA 1.561 16 residues pruned to eliminate duplicates Z: 6 8.885 1.804 0.930 0.786 0.800 0.400 CB 1.110 6 residues pruned to eliminate duplicates Z: 7 2.145 1.293 0.555 0.395 0.667 0.500 CB 0.731 Z: 9 10.191 1.645 0.342 0.919 1.000 0.875 CB 1.150 9 residues pruned to eliminate duplicates Z: 15 36.826 2.102 1.362 0.858 1.000 0.714 CA 1.460 15 residues pruned to eliminate duplicates Z: 12 11.775 1.573 0.489 0.897 1.000 0.818 CB 1.086 12 residues pruned to eliminate duplicates Z: 10 9.252 1.667 0.340 0.907 1.000 0.778 CB 0.981 10 residues pruned to eliminate duplicates Z: 10 8.978 1.571 0.415 0.848 1.000 0.444 CB 0.999 10 residues pruned to eliminate duplicates Z: 51 62.876 2.277 1.102 0.683 1.000 0.760 CA 1.570 51 residues pruned to eliminate duplicates Z: 30 25.570 1.986 0.924 0.520 0.897 0.483 CB 1.358 30 residues pruned to eliminate duplicates Z: 9 9.866 1.650 0.319 0.901 1.000 1.000 CB 1.144 9 residues pruned to eliminate duplicates Z: 14 8.513 1.747 0.453 0.571 0.846 0.538 CB 1.026 14 residues pruned to eliminate duplicates Z: 30 35.514 2.120 0.768 0.790 0.966 0.621 CB 1.413 30 residues pruned to eliminate duplicates Z: 11 16.982 1.887 0.474 0.876 1.000 0.600 CB 1.403 10 residues pruned to eliminate duplicates Z: 15 24.138 1.955 0.755 0.920 1.000 0.929 CA 1.324 15 residues pruned to eliminate duplicates Z: 13 13.165 1.966 0.486 0.463 0.917 0.500 CA 1.473 13 residues pruned to eliminate duplicates Z: 9 6.524 1.737 0.428 0.859 1.000 0.625 CB 0.684 9 residues pruned to eliminate duplicates Z: 26 38.490 2.199 0.942 0.910 0.920 0.400 CB 1.390 26 residues pruned to eliminate duplicates Z: 12 5.324 1.500 0.089 0.829 0.818 0.727 CB 0.904 12 residues pruned to eliminate duplicates Z: 21 17.470 2.024 0.484 0.594 0.900 0.700 CA 1.321 26 residues pruned to eliminate duplicates Z: 26 31.551 2.220 0.342 0.896 1.000 0.880 CB 1.516 26 residues pruned to eliminate duplicates Z: 6 8.531 1.846 0.371 0.828 1.000 0.600 CB 1.134 6 residues pruned to eliminate duplicates Z: 14 16.225 1.772 0.709 0.886 0.846 0.846 CA 1.266 14 residues pruned to eliminate duplicates Z: 26 21.140 2.132 0.054 0.876 0.960 0.800 CA 1.424 26 residues pruned to eliminate duplicates Z: 23 29.923 2.000 0.937 0.702 0.955 0.500 CB 1.436 23 residues pruned to eliminate duplicates Z: 7 5.323 1.439 0.651 0.508 1.000 0.667 CB 0.908 7 residues pruned to eliminate duplicates Z: 16 11.730 1.635 0.472 0.830 0.933 0.733 CB 1.014 16 residues pruned to eliminate duplicates Z: 39 16.047 1.699 0.346 0.529 0.921 0.500 CB 1.200 39 residues pruned to eliminate duplicates Z: 15 15.472 1.944 0.683 0.742 0.786 0.500 CB 1.296 15 residues pruned to eliminate duplicates Z: 27 27.592 1.961 0.758 0.898 0.923 0.615 CB 1.216 27 residues pruned to eliminate duplicates Z: 22 34.136 2.012 0.851 0.918 0.952 0.571 CA 1.481 22 residues pruned to eliminate duplicates Z: 36 26.853 1.958 0.635 0.757 0.886 0.400 CB 1.273 32 residues pruned to eliminate duplicates Z: 71 64.493 2.201 0.921 0.683 0.957 0.743 CB 1.611 71 residues pruned to eliminate duplicates Z: 35 14.734 1.710 0.352 0.578 0.882 0.500 CB 1.149 35 residues pruned to eliminate duplicates Z: 77 42.498 1.897 0.845 0.692 0.921 0.737 CB 1.268 77 residues pruned to eliminate duplicates Z: 6 8.478 1.741 0.289 0.688 1.000 0.600 CA 1.423 6 residues pruned to eliminate duplicates Z: 22 25.726 2.020 0.905 0.643 0.905 0.667 CB 1.411 22 residues pruned to eliminate duplicates Z: 47 14.335 1.722 0.300 0.509 0.848 0.565 CB 1.104 47 residues pruned to eliminate duplicates Z: 10 20.921 2.044 1.114 0.915 1.000 0.444 CB 1.141 10 residues pruned to eliminate duplicates Z: 6 2.755 1.290 0.729 0.290 1.000 0.400 CB 0.700 Z: 32 33.102 2.051 0.846 0.694 0.935 0.839 CB 1.406 32 residues pruned to eliminate duplicates Z: 33 28.868 2.123 0.449 0.757 0.938 0.719 CA 1.408 33 residues pruned to eliminate duplicates Z: 6 5.942 1.818 0.008 0.887 1.000 1.000 CB 1.046 6 residues pruned to eliminate duplicates Z: 67 47.588 1.955 0.841 0.732 0.985 0.697 CB 1.341 67 residues pruned to eliminate duplicates Z: 29 42.181 2.260 0.997 0.611 1.000 0.750 CA 1.590 29 residues pruned to eliminate duplicates Z: 25 46.937 2.353 0.801 0.915 1.000 0.875 CA 1.598 25 residues pruned to eliminate duplicates Z: 26 25.920 2.001 0.604 0.864 0.960 0.760 CB 1.234 26 residues pruned to eliminate duplicates Z: 13 16.860 1.857 0.396 0.906 1.000 0.750 CA 1.335 13 residues pruned to eliminate duplicates Z: 14 18.096 2.026 0.863 0.535 0.923 0.692 CA 1.392 16 residues pruned to eliminate duplicates Z: 14 8.416 1.566 0.375 0.731 1.000 0.692 CB 0.881 14 residues pruned to eliminate duplicates Z: 8 2.697 1.227 0.690 0.217 0.714 0.571 CB 0.960 Z: 14 17.496 1.878 0.598 0.868 0.923 0.769 CB 1.280 14 residues pruned to eliminate duplicates Z: 16 50.970 2.284 1.273 0.916 1.000 0.533 CB 1.790 16 residues pruned to eliminate duplicates Z: 11 4.488 1.867 0.064 0.143 0.900 0.500 CB 1.235 11 residues pruned to eliminate duplicates Z: 14 5.059 1.417 0.681 0.257 0.846 0.462 CB 0.919 Z: 40 14.543 1.679 0.330 0.502 0.949 0.487 CB 1.097 40 residues pruned to eliminate duplicates Z: 25 27.002 2.148 1.063 0.411 0.917 0.542 CA 1.490 20 residues pruned to eliminate duplicates Z: 10 14.227 1.932 0.554 0.817 0.778 0.667 CB 1.542 10 residues pruned to eliminate duplicates Z: 22 32.935 2.213 0.678 0.834 0.905 0.524 CB 1.604 22 residues pruned to eliminate duplicates Z: 46 39.995 2.113 0.656 0.726 0.956 0.711 CA 1.454 46 residues pruned to eliminate duplicates Z: 15 9.157 1.842 0.493 0.321 0.929 0.571 CB 1.168 15 residues pruned to eliminate duplicates Z: 10 9.914 1.598 0.486 0.886 1.000 0.889 CB 1.004 10 residues pruned to eliminate duplicates Z: 10 16.063 1.934 0.764 0.904 1.000 0.556 CB 1.118 10 residues pruned to eliminate duplicates Z: 16 15.392 1.737 0.715 0.839 0.867 0.800 CB 1.150 16 residues pruned to eliminate duplicates Z: 6 7.271 1.667 0.805 0.817 0.800 0.400 CA 1.026 Z: 27 29.791 1.972 0.860 0.888 0.923 0.615 CB 1.243 27 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 22 31.976 2.172 0.795 0.890 0.857 0.714 CA 1.502 22 residues pruned to eliminate duplicates Z: 22 33.863 2.213 0.704 0.854 0.905 0.667 CA 1.599 22 residues pruned to eliminate duplicates Z: 22 38.159 2.167 0.895 0.820 0.952 0.619 CA 1.614 22 residues pruned to eliminate duplicates Z: 22 36.963 2.218 0.836 0.879 0.905 0.714 CA 1.588 22 residues pruned to eliminate duplicates Z: 22 39.000 2.201 0.893 0.889 0.905 0.667 CA 1.625 22 residues pruned to eliminate duplicates Z: 22 45.024 2.200 0.967 0.898 1.000 0.762 CA 1.625 22 residues pruned to eliminate duplicates Z: 22 44.693 2.207 1.033 0.874 0.952 0.571 CA 1.660 20 residues pruned to eliminate duplicates Z: 21 42.198 2.150 1.010 0.930 0.950 0.650 CB 1.607 21 residues pruned to eliminate duplicates Z: 31 31.915 2.003 0.814 0.651 0.933 0.400 CB 1.493 31 residues pruned to eliminate duplicates Z: 20 48.006 2.218 1.149 0.898 1.000 0.474 CB 1.652 20 residues pruned to eliminate duplicates Z: 20 48.465 2.224 1.142 0.919 1.000 0.474 CA 1.645 20 residues pruned to eliminate duplicates Z: 24 42.825 2.158 0.950 0.771 1.000 0.348 CB 1.669 24 residues pruned to eliminate duplicates Z: 22 39.989 2.190 0.995 0.878 0.905 0.333 CA 1.603 22 residues pruned to eliminate duplicates Z: 22 47.257 2.178 1.196 0.835 1.000 0.286 CA 1.614 22 residues pruned to eliminate duplicates Z: 21 44.475 2.146 1.169 0.915 0.950 0.450 CA 1.589 21 residues pruned to eliminate duplicates Z: 24 37.451 2.108 1.100 0.844 0.870 0.478 CB 1.509 24 residues pruned to eliminate duplicates Z: 22 42.445 2.185 0.977 0.884 0.952 0.476 CA 1.626 22 residues pruned to eliminate duplicates Z: 22 46.075 2.208 1.128 0.876 0.952 0.571 CA 1.633 22 residues pruned to eliminate duplicates Z: 22 44.718 2.190 1.163 0.873 0.905 0.381 CB 1.658 22 residues pruned to eliminate duplicates Z: 23 38.830 2.130 1.211 0.830 0.864 0.364 CB 1.530 23 residues pruned to eliminate duplicates Z: 30 24.647 2.144 0.743 0.517 0.793 0.483 CB 1.518 30 residues pruned to eliminate duplicates Z: 14 11.076 2.094 0.619 0.345 0.692 0.538 CA 1.548 14 residues pruned to eliminate duplicates Z: 28 28.991 2.158 0.828 0.557 0.852 0.556 CA 1.570 28 residues pruned to eliminate duplicates Z: 29 22.684 2.072 0.881 0.522 0.750 0.536 CB 1.435 29 residues pruned to eliminate duplicates Z: 27 30.395 2.186 0.783 0.595 0.885 0.615 CB 1.579 27 residues pruned to eliminate duplicates Z: 12 11.661 2.136 0.528 0.355 0.818 0.727 CB 1.541 12 residues pruned to eliminate duplicates Z: 45 33.456 2.053 0.845 0.623 0.886 0.568 CB 1.337 45 residues pruned to eliminate duplicates Z: 27 29.055 2.206 0.838 0.560 0.846 0.577 CB 1.566 27 residues pruned to eliminate duplicates Z: 43 32.774 2.095 0.728 0.638 0.905 0.595 CB 1.357 43 residues pruned to eliminate duplicates Z: 43 36.488 2.122 0.846 0.659 0.929 0.619 CB 1.335 43 residues pruned to eliminate duplicates Z: 32 29.003 2.113 0.744 0.559 0.968 0.484 CB 1.379 32 residues pruned to eliminate duplicates Z: 44 36.045 2.079 0.841 0.631 0.977 0.488 CB 1.299 44 residues pruned to eliminate duplicates Z: 43 30.510 2.090 0.776 0.635 0.881 0.571 CB 1.269 43 residues pruned to eliminate duplicates Z: 19 22.995 2.198 0.907 0.633 0.722 0.500 CB 1.580 19 residues pruned to eliminate duplicates Z: 45 33.715 2.072 0.807 0.614 0.909 0.591 CB 1.340 45 residues pruned to eliminate duplicates Z: 26 29.987 2.222 0.811 0.564 0.880 0.600 CB 1.593 26 residues pruned to eliminate duplicates Z: 44 33.772 2.095 0.708 0.654 0.930 0.558 CB 1.341 44 residues pruned to eliminate duplicates Z: 43 27.572 2.047 0.752 0.551 0.857 0.571 CB 1.317 43 residues pruned to eliminate duplicates Z: 42 34.554 2.124 0.813 0.641 0.927 0.585 CB 1.325 42 residues pruned to eliminate duplicates Z: 45 39.022 2.076 0.926 0.640 0.932 0.523 CB 1.386 45 residues pruned to eliminate duplicates Z: 29 30.553 2.190 0.851 0.550 0.929 0.500 CB 1.460 29 residues pruned to eliminate duplicates Z: 28 27.924 2.129 0.819 0.561 0.852 0.630 CB 1.536 28 residues pruned to eliminate duplicates Z: 41 36.682 2.130 0.844 0.657 0.925 0.550 CB 1.380 41 residues pruned to eliminate duplicates Z: 44 35.692 2.101 0.781 0.618 0.977 0.488 CB 1.332 44 residues pruned to eliminate duplicates Z: 46 32.108 2.053 0.802 0.608 0.867 0.600 CB 1.347 46 residues pruned to eliminate duplicates Z: 45 35.233 2.092 0.806 0.626 0.909 0.568 CB 1.374 45 residues pruned to eliminate duplicates Z: 42 35.730 2.134 0.870 0.645 0.902 0.561 CB 1.354 42 residues pruned to eliminate duplicates Z: 19 19.960 1.869 0.820 0.745 1.000 0.500 CB 1.111 19 residues pruned to eliminate duplicates Z: 16 15.871 1.846 0.733 0.777 0.933 0.600 CB 1.075 16 residues pruned to eliminate duplicates Z: 16 19.805 1.937 0.715 0.793 1.000 0.600 CB 1.190 16 residues pruned to eliminate duplicates Z: 17 20.140 1.930 0.865 0.814 1.000 0.812 CB 1.064 17 residues pruned to eliminate duplicates Z: 18 18.786 1.908 0.758 0.788 0.941 0.706 CB 1.120 18 residues pruned to eliminate duplicates Z: 17 17.008 1.921 0.714 0.786 1.000 0.500 CB 1.004 17 residues pruned to eliminate duplicates Z: 42 29.102 2.052 0.708 0.574 0.878 0.488 CB 1.376 42 residues pruned to eliminate duplicates Z: 16 19.152 1.946 0.680 0.788 1.000 0.533 CB 1.175 16 residues pruned to eliminate duplicates Z: 26 20.634 1.804 0.883 0.590 1.000 0.400 CB 1.115 26 residues pruned to eliminate duplicates Z: 16 20.450 1.953 0.780 0.751 1.000 0.467 CB 1.214 16 residues pruned to eliminate duplicates Z: 19 19.470 1.844 0.891 0.732 0.944 0.389 CB 1.132 19 residues pruned to eliminate duplicates Z: 19 17.311 1.842 0.868 0.683 0.944 0.333 CB 1.062 19 residues pruned to eliminate duplicates Z: 17 16.159 1.853 0.820 0.765 0.938 0.375 CB 1.010 17 residues pruned to eliminate duplicates Z: 28 15.321 1.788 0.571 0.527 0.889 0.333 CB 1.150 28 residues pruned to eliminate duplicates Z: 22 20.902 1.889 0.676 0.658 1.000 0.571 CB 1.245 22 residues pruned to eliminate duplicates Z: 27 21.623 1.934 0.669 0.538 1.000 0.423 CB 1.266 27 residues pruned to eliminate duplicates Z: 54 30.939 2.016 0.654 0.530 0.943 0.396 CB 1.312 54 residues pruned to eliminate duplicates Z: 54 28.556 1.982 0.654 0.526 0.906 0.434 CB 1.288 54 residues pruned to eliminate duplicates Z: 49 29.133 2.011 0.665 0.542 0.896 0.458 CB 1.346 49 residues pruned to eliminate duplicates Z: 33 20.774 2.010 0.453 0.534 1.000 0.625 CB 1.216 33 residues pruned to eliminate duplicates Z: 27 15.947 1.851 0.615 0.575 0.885 0.423 CB 1.099 27 residues pruned to eliminate duplicates Z: 26 17.028 1.950 0.526 0.530 0.880 0.440 CB 1.262 26 residues pruned to eliminate duplicates Z: 13 6.804 1.983 0.365 0.194 0.917 0.417 CB 1.140 13 residues pruned to eliminate duplicates Z: 31 18.791 1.907 0.559 0.538 0.967 0.433 CB 1.150 31 residues pruned to eliminate duplicates Z: 9 7.546 2.079 0.236 0.243 1.000 0.750 CA 1.397 9 residues pruned to eliminate duplicates Z: 11 10.571 1.883 0.475 0.532 0.800 0.500 CA 1.458 Z: 6 3.612 1.579 0.726 0.291 0.800 0.600 CB 0.936 6 residues pruned to eliminate duplicates Z: 17 20.768 2.109 0.616 0.529 0.938 0.750 CA 1.580 28 residues pruned to eliminate duplicates Z: 58 54.730 2.227 0.813 0.686 0.930 0.754 CB 1.629 58 residues pruned to eliminate duplicates Z: 14 22.961 2.136 0.605 0.597 1.000 0.692 CB 1.692 14 residues pruned to eliminate duplicates Z: 8 19.524 2.080 0.805 0.705 1.000 1.000 CB 1.630 Z: 6 3.515 1.716 0.290 0.145 1.000 0.400 CA 1.100 2 residues pruned to eliminate duplicates Z: 7 6.646 1.587 0.838 0.401 0.833 0.500 N 1.239 7 residues pruned to eliminate duplicates Z: 22 18.248 1.882 0.710 0.422 0.905 0.571 CA 1.483 34 residues pruned to eliminate duplicates Z: 17 22.710 2.066 0.710 0.519 0.938 0.625 CB 1.684 17 residues pruned to eliminate duplicates Z: 54 46.033 2.160 0.910 0.582 0.925 0.717 CA 1.532 54 residues pruned to eliminate duplicates Z: 56 49.768 2.217 0.735 0.651 0.945 0.764 CA 1.603 56 residues pruned to eliminate duplicates Z: 50 45.170 2.228 0.625 0.686 0.939 0.776 CB 1.600 50 residues pruned to eliminate duplicates Z: 21 25.641 2.103 0.789 0.562 0.950 0.650 CB 1.511 21 residues pruned to eliminate duplicates Z: 58 51.225 2.228 0.795 0.668 0.895 0.719 CA 1.624 58 residues pruned to eliminate duplicates Z: 45 52.122 2.308 0.858 0.730 0.909 0.773 CA 1.638 45 residues pruned to eliminate duplicates Z: 29 28.310 2.131 0.631 0.597 0.964 0.786 CB 1.455 29 residues pruned to eliminate duplicates Z: 58 56.582 2.243 0.866 0.700 0.930 0.789 CB 1.605 58 residues pruned to eliminate duplicates Z: 58 52.949 2.242 0.715 0.672 0.965 0.737 CA 1.613 58 residues pruned to eliminate duplicates Z: 45 49.785 2.295 0.726 0.733 0.932 0.727 CA 1.649 45 residues pruned to eliminate duplicates Z: 24 22.614 2.073 0.819 0.541 0.913 0.565 CB 1.316 24 residues pruned to eliminate duplicates Z: 44 55.699 2.294 0.860 0.750 0.977 0.814 CB 1.630 44 residues pruned to eliminate duplicates Z: 23 23.711 2.089 0.976 0.546 0.864 0.682 CB 1.355 23 residues pruned to eliminate duplicates Z: 45 45.509 2.243 0.750 0.731 0.932 0.795 CA 1.523 45 residues pruned to eliminate duplicates Z: 35 40.240 2.247 0.726 0.696 0.971 0.824 CB 1.533 35 residues pruned to eliminate duplicates Z: 46 52.159 2.274 0.775 0.714 0.978 0.756 CB 1.622 46 residues pruned to eliminate duplicates Z: 32 41.934 2.266 0.774 0.706 1.000 0.774 CB 1.553 32 residues pruned to eliminate duplicates Z: 29 26.036 2.073 0.806 0.550 0.964 0.571 CB 1.298 29 residues pruned to eliminate duplicates Z: 25 25.162 2.155 0.777 0.612 0.875 0.750 CB 1.378 25 residues pruned to eliminate duplicates Z: 48 48.308 2.252 0.702 0.687 1.000 0.787 CA 1.549 48 residues pruned to eliminate duplicates Z: 25 37.697 2.287 0.648 0.928 1.000 0.917 CA 1.429 25 residues pruned to eliminate duplicates Z: 58 52.475 2.225 0.776 0.677 0.965 0.789 CB 1.549 58 residues pruned to eliminate duplicates Z: 45 50.086 2.251 0.861 0.719 0.932 0.682 CA 1.587 45 residues pruned to eliminate duplicates Z: 58 50.569 2.188 0.709 0.691 0.982 0.754 CB 1.531 58 residues pruned to eliminate duplicates Z: 52 56.353 2.259 1.075 0.667 0.882 0.725 CB 1.636 52 residues pruned to eliminate duplicates Z: 45 50.977 2.254 0.847 0.717 0.955 0.682 CB 1.590 45 residues pruned to eliminate duplicates Z: 46 51.597 2.268 0.902 0.722 0.933 0.711 CB 1.564 46 residues pruned to eliminate duplicates Z: 58 54.299 2.228 0.888 0.684 0.930 0.596 CB 1.553 56 residues pruned to eliminate duplicates Z: 25 48.573 2.314 0.945 0.905 1.000 0.542 CB 1.567 25 residues pruned to eliminate duplicates Z: 45 57.613 2.265 1.132 0.731 0.932 0.523 CB 1.568 45 residues pruned to eliminate duplicates Z: 22 63.790 2.473 1.216 0.939 1.000 0.619 CB 1.765 22 residues pruned to eliminate duplicates Z: 45 57.050 2.271 1.024 0.732 0.955 0.614 CB 1.591 45 residues pruned to eliminate duplicates Z: 15 40.705 2.520 0.922 0.874 0.929 0.857 CA 1.761 15 residues pruned to eliminate duplicates Z: 46 51.687 2.200 1.240 0.693 0.844 0.467 CB 1.552 46 residues pruned to eliminate duplicates Z: 25 47.567 2.323 1.096 0.897 0.917 0.667 CB 1.557 25 residues pruned to eliminate duplicates Z: 46 55.370 2.224 1.147 0.721 0.933 0.489 CB 1.517 46 residues pruned to eliminate duplicates Z: 45 54.929 2.251 1.188 0.723 0.909 0.659 CB 1.512 45 residues pruned to eliminate duplicates Z: 48 49.442 2.216 1.002 0.687 0.915 0.468 CB 1.496 48 residues pruned to eliminate duplicates Z: 47 59.205 2.281 1.095 0.710 0.957 0.500 CB 1.578 47 residues pruned to eliminate duplicates Z: 28 30.596 2.166 0.392 0.867 1.000 0.852 CB 1.429 28 residues pruned to eliminate duplicates Z: 33 38.192 2.209 0.706 0.746 0.969 0.812 CB 1.484 32 residues pruned to eliminate duplicates Z: 35 31.560 2.153 0.591 0.705 0.882 0.765 CB 1.486 35 residues pruned to eliminate duplicates Z: 102 68.671 2.181 0.820 0.705 0.931 0.693 CB 1.535 107 residues pruned to eliminate duplicates Z: 26 36.750 2.218 0.540 0.933 1.000 0.880 CB 1.502 26 residues pruned to eliminate duplicates Z: 98 74.117 2.234 0.783 0.729 0.969 0.711 CB 1.587 98 residues pruned to eliminate duplicates Z: 28 33.764 2.172 0.622 0.852 0.926 0.704 CB 1.473 28 residues pruned to eliminate duplicates Z: 29 33.449 2.171 0.588 0.836 0.964 0.786 CB 1.423 29 residues pruned to eliminate duplicates Z: 27 31.286 2.144 0.516 0.894 0.962 0.577 CB 1.409 27 residues pruned to eliminate duplicates Z: 30 33.044 2.138 0.587 0.817 0.966 0.759 CB 1.422 30 residues pruned to eliminate duplicates Z: 34 34.303 2.152 0.528 0.764 0.970 0.636 CB 1.481 34 residues pruned to eliminate duplicates Z: 25 40.146 2.234 0.817 0.869 0.958 0.625 CB 1.538 26 residues pruned to eliminate duplicates Z: 27 38.753 2.189 0.693 0.890 0.962 0.692 CB 1.535 27 residues pruned to eliminate duplicates Z: 38 29.599 2.095 0.587 0.675 0.919 0.622 CB 1.355 38 residues pruned to eliminate duplicates Z: 33 37.768 2.205 0.754 0.741 0.938 0.594 CB 1.483 33 residues pruned to eliminate duplicates Z: 26 33.619 2.203 0.877 0.671 0.960 0.480 CB 1.446 26 residues pruned to eliminate duplicates Z: 47 46.070 2.134 0.908 0.724 0.913 0.500 CB 1.493 16 residues pruned to eliminate duplicates Z: 26 41.426 2.240 0.943 0.924 0.920 0.520 CB 1.454 26 residues pruned to eliminate duplicates Z: 35 38.398 2.141 0.886 0.751 0.912 0.529 CB 1.430 35 residues pruned to eliminate duplicates Z: 29 35.926 2.175 0.884 0.819 0.857 0.536 CB 1.466 29 residues pruned to eliminate duplicates Z: 34 40.029 2.170 0.849 0.739 1.000 0.515 CB 1.401 35 residues pruned to eliminate duplicates Z: 27 38.519 2.161 0.927 0.888 0.962 0.423 CB 1.359 27 residues pruned to eliminate duplicates Z: 35 39.391 2.154 0.919 0.738 0.941 0.471 CB 1.402 34 residues pruned to eliminate duplicates Z: 27 45.401 2.183 0.989 0.906 1.000 0.423 CB 1.458 27 residues pruned to eliminate duplicates Z: 35 37.928 2.129 0.860 0.739 0.941 0.500 CB 1.409 35 residues pruned to eliminate duplicates Z: 34 38.568 2.156 0.906 0.762 0.909 0.485 CB 1.424 34 residues pruned to eliminate duplicates Z: 37 37.027 2.079 0.803 0.723 1.000 0.556 CB 1.346 37 residues pruned to eliminate duplicates Z: 33 42.762 2.207 0.899 0.742 0.969 0.438 CB 1.499 33 residues pruned to eliminate duplicates Z: 7 7.816 1.745 0.372 0.409 1.000 0.500 N 1.466 7 residues pruned to eliminate duplicates Z: 34 37.645 2.172 0.850 0.722 0.939 0.455 CB 1.421 34 residues pruned to eliminate duplicates Z: 34 38.873 2.172 0.923 0.737 0.939 0.424 CB 1.395 34 residues pruned to eliminate duplicates Z: 8 2.748 1.574 0.642 0.173 0.571 0.286 N 1.045 8 residues pruned to eliminate duplicates Z: 100 77.868 2.218 0.914 0.720 0.970 0.667 CB 1.558 33 residues pruned to eliminate duplicates Z: 6 11.616 2.112 1.009 0.337 1.000 0.600 CA 1.464 6 residues pruned to eliminate duplicates Z: 71 64.661 2.246 0.896 0.686 0.971 0.643 CA 1.575 71 residues pruned to eliminate duplicates Z: 73 60.102 2.214 0.875 0.673 0.944 0.681 CA 1.541 69 residues pruned to eliminate duplicates Z: 6 4.835 1.570 0.884 0.459 1.000 0.600 CA 0.762 6 residues pruned to eliminate duplicates Z: 63 69.730 2.271 1.013 0.738 0.968 0.710 CA 1.618 68 residues pruned to eliminate duplicates Z: 21 44.461 2.219 1.341 0.798 0.950 0.600 CA 1.552 21 residues pruned to eliminate duplicates Z: 67 69.691 2.240 1.002 0.712 0.985 0.758 CB 1.603 67 residues pruned to eliminate duplicates Z: 72 64.608 2.214 0.918 0.685 0.944 0.606 CA 1.616 67 residues pruned to eliminate duplicates Z: 18 41.287 2.291 1.163 0.898 0.941 0.588 CB 1.535 18 residues pruned to eliminate duplicates Z: 71 61.459 2.216 0.872 0.672 0.957 0.629 CA 1.579 71 residues pruned to eliminate duplicates Z: 65 57.708 2.201 0.807 0.700 0.984 0.688 CA 1.535 65 residues pruned to eliminate duplicates Z: 67 68.295 2.251 0.946 0.714 0.985 0.697 CA 1.605 67 residues pruned to eliminate duplicates Z: 69 69.473 2.245 1.008 0.684 0.971 0.706 CB 1.626 69 residues pruned to eliminate duplicates Z: 67 62.505 2.224 0.820 0.716 0.970 0.652 CA 1.612 67 residues pruned to eliminate duplicates Z: 63 66.127 2.228 0.950 0.755 0.968 0.710 CA 1.592 63 residues pruned to eliminate duplicates Z: 77 61.678 2.206 0.936 0.649 0.908 0.711 CB 1.588 77 residues pruned to eliminate duplicates Z: 68 61.297 2.238 0.858 0.712 0.955 0.701 CA 1.555 68 residues pruned to eliminate duplicates Z: 68 57.749 2.213 0.821 0.705 0.910 0.657 CA 1.596 68 residues pruned to eliminate duplicates Z: 24 35.826 2.208 1.089 0.621 0.870 0.348 CB 1.661 24 residues pruned to eliminate duplicates Z: 67 65.964 2.244 0.921 0.717 0.970 0.652 CA 1.596 67 residues pruned to eliminate duplicates Z: 79 66.664 2.175 0.969 0.706 0.936 0.705 CB 1.561 79 residues pruned to eliminate duplicates Z: 19 41.075 2.187 1.299 0.879 0.944 0.667 CA 1.478 19 residues pruned to eliminate duplicates Z: 72 65.379 2.245 0.904 0.672 0.958 0.676 CB 1.618 72 residues pruned to eliminate duplicates Z: 71 61.581 2.237 0.826 0.686 0.971 0.743 CA 1.563 71 residues pruned to eliminate duplicates Z: 68 59.707 2.189 0.903 0.700 0.955 0.791 CA 1.528 68 residues pruned to eliminate duplicates Z: 79 55.833 2.131 0.714 0.692 0.936 0.718 CA 1.552 79 residues pruned to eliminate duplicates Z: 71 59.243 2.231 0.850 0.669 0.957 0.771 CA 1.533 71 residues pruned to eliminate duplicates Z: 71 59.438 2.193 0.846 0.685 0.971 0.743 CA 1.525 71 residues pruned to eliminate duplicates Z: 72 63.481 2.227 0.900 0.682 0.972 0.746 CA 1.550 72 residues pruned to eliminate duplicates Z: 92 75.967 2.269 0.947 0.679 0.956 0.648 CB 1.600 92 residues pruned to eliminate duplicates Z: 76 62.858 2.224 0.881 0.654 0.960 0.707 CA 1.566 76 residues pruned to eliminate duplicates Z: 74 54.935 2.199 0.747 0.664 0.945 0.699 CA 1.522 74 residues pruned to eliminate duplicates Z: 102 70.527 2.174 0.858 0.692 0.950 0.693 CA 1.533 102 residues pruned to eliminate duplicates Z: 68 57.096 2.199 0.824 0.696 0.940 0.746 CA 1.547 68 residues pruned to eliminate duplicates Z: 72 59.330 2.235 0.884 0.664 0.930 0.704 CA 1.546 72 residues pruned to eliminate duplicates Z: 67 65.676 2.226 0.922 0.715 0.985 0.788 CA 1.579 67 residues pruned to eliminate duplicates Z: 67 64.383 2.244 0.864 0.729 0.985 0.773 CA 1.565 67 residues pruned to eliminate duplicates Z: 73 56.446 2.181 0.791 0.662 0.944 0.722 CA 1.552 73 residues pruned to eliminate duplicates Z: 73 57.987 2.189 0.821 0.670 0.958 0.736 CA 1.529 73 residues pruned to eliminate duplicates Z: 72 62.745 2.216 0.876 0.679 0.958 0.746 CA 1.587 72 residues pruned to eliminate duplicates Z: 72 62.031 2.221 0.916 0.673 0.944 0.732 CA 1.563 72 residues pruned to eliminate duplicates Z: 73 65.102 2.211 0.911 0.683 0.972 0.722 CB 1.579 73 residues pruned to eliminate duplicates Z: 72 60.227 2.223 0.880 0.674 0.930 0.704 CA 1.567 72 residues pruned to eliminate duplicates Z: 70 69.154 2.253 0.934 0.704 0.986 0.725 CA 1.610 70 residues pruned to eliminate duplicates Z: 71 63.617 2.232 0.936 0.677 0.957 0.671 CA 1.563 71 residues pruned to eliminate duplicates Z: 103 75.223 2.210 0.966 0.701 0.931 0.637 CB 1.532 103 residues pruned to eliminate duplicates Z: 65 64.434 2.243 0.910 0.730 0.953 0.797 CA 1.604 65 residues pruned to eliminate duplicates Z: 72 66.330 2.200 0.977 0.684 0.972 0.606 CB 1.573 72 residues pruned to eliminate duplicates Z: 99 75.629 2.205 0.960 0.725 0.949 0.592 CB 1.521 99 residues pruned to eliminate duplicates Z: 67 63.171 2.227 0.919 0.705 0.970 0.652 CB 1.557 67 residues pruned to eliminate duplicates Z: 72 64.189 2.233 0.911 0.663 0.972 0.718 CB 1.579 72 residues pruned to eliminate duplicates Z: 73 64.046 2.214 0.928 0.670 0.958 0.667 CB 1.578 73 residues pruned to eliminate duplicates Z: 104 78.236 2.225 0.946 0.698 0.961 0.670 CB 1.547 104 residues pruned to eliminate duplicates Z: 61 72.784 2.246 1.029 0.765 1.000 0.767 CA 1.630 61 residues pruned to eliminate duplicates Z: 72 65.360 2.223 0.948 0.684 0.958 0.704 CA 1.580 72 residues pruned to eliminate duplicates Z: 77 58.280 2.175 0.903 0.626 0.934 0.645 CB 1.535 77 residues pruned to eliminate duplicates Z: 67 67.898 2.243 1.018 0.722 0.955 0.727 CA 1.583 67 residues pruned to eliminate duplicates Z: 68 67.633 2.252 1.030 0.704 0.955 0.627 CA 1.572 68 residues pruned to eliminate duplicates Z: 71 68.268 2.231 0.967 0.692 0.986 0.743 CA 1.583 71 residues pruned to eliminate duplicates Z: 78 65.158 2.207 0.987 0.630 0.935 0.701 CA 1.603 78 residues pruned to eliminate duplicates Z: 70 70.549 2.259 1.009 0.697 0.971 0.739 CA 1.609 70 residues pruned to eliminate duplicates Z: 75 61.228 2.213 0.940 0.663 0.919 0.730 CB 1.552 75 residues pruned to eliminate duplicates Z: 71 69.993 2.241 1.007 0.699 0.971 0.629 CB 1.598 71 residues pruned to eliminate duplicates Z: 68 64.611 2.189 0.985 0.695 0.985 0.701 CA 1.543 68 residues pruned to eliminate duplicates Z: 71 67.028 2.249 0.970 0.677 0.971 0.757 CA 1.582 71 residues pruned to eliminate duplicates Z: 71 63.366 2.226 0.920 0.680 0.943 0.700 CA 1.593 71 residues pruned to eliminate duplicates Z: 71 66.556 2.243 0.985 0.683 0.957 0.714 CB 1.579 71 residues pruned to eliminate duplicates 6 1.504 1.666 0.704 0.145 0.400 0.200 CB 0.918 ? Z: 15 10.275 1.766 0.277 0.657 0.857 0.571 CA 1.227 15 residues pruned to eliminate duplicates Z: 10 16.568 1.973 0.377 0.874 1.000 0.778 CA 1.480 10 residues pruned to eliminate duplicates Z: 10 19.589 1.969 0.610 0.861 1.000 0.556 CA 1.514 10 residues pruned to eliminate duplicates Z: 12 5.682 1.574 0.359 0.339 0.818 0.273 CB 1.167 12 residues pruned to eliminate duplicates Z: 10 20.386 1.999 0.555 0.900 1.000 0.667 CA 1.562 11 residues pruned to eliminate duplicates Z: 10 18.453 1.977 0.424 0.888 1.000 0.667 CA 1.573 10 residues pruned to eliminate duplicates Z: 12 14.616 1.705 0.693 0.671 1.000 0.636 CB 1.304 11 residues pruned to eliminate duplicates Z: 11 16.347 1.852 0.701 0.881 0.900 0.300 CB 1.320 11 residues pruned to eliminate duplicates Z: 11 13.530 1.831 0.516 0.813 0.900 0.500 CB 1.304 11 residues pruned to eliminate duplicates Z: 22 18.089 1.823 0.464 0.509 1.000 0.381 CB 1.465 19 residues pruned to eliminate duplicates Z: 15 24.926 2.006 0.791 0.780 1.000 0.714 CB 1.449 15 residues pruned to eliminate duplicates Z: 19 22.578 1.919 0.634 0.604 1.000 0.611 CB 1.537 19 residues pruned to eliminate duplicates Z: 19 21.020 1.943 0.548 0.575 1.000 0.389 CB 1.533 19 residues pruned to eliminate duplicates Z: 22 19.323 1.866 0.559 0.530 0.952 0.429 CB 1.478 22 residues pruned to eliminate duplicates Z: 22 17.822 1.889 0.479 0.568 0.905 0.476 CB 1.441 22 residues pruned to eliminate duplicates Z: 17 24.644 2.016 0.705 0.692 0.938 0.562 CB 1.605 14 residues pruned to eliminate duplicates Z: 13 24.599 1.987 0.731 0.898 1.000 0.583 CB 1.477 13 residues pruned to eliminate duplicates Z: 12 20.748 2.082 0.555 0.743 1.000 0.545 CB 1.555 15 residues pruned to eliminate duplicates Z: 12 25.952 2.074 0.870 0.885 1.000 0.545 CB 1.456 12 residues pruned to eliminate duplicates Z: 22 15.014 1.746 0.563 0.483 0.905 0.429 CB 1.350 22 residues pruned to eliminate duplicates Z: 20 20.076 1.862 0.776 0.562 0.895 0.421 CB 1.465 20 residues pruned to eliminate duplicates Z: 18 20.632 1.915 0.728 0.640 0.941 0.588 CB 1.409 18 residues pruned to eliminate duplicates Z: 20 19.567 1.843 0.766 0.602 0.842 0.474 CB 1.487 20 residues pruned to eliminate duplicates Z: 18 23.211 1.971 0.695 0.637 0.941 0.588 CB 1.574 18 residues pruned to eliminate duplicates Z: 15 23.486 2.029 0.726 0.759 0.929 0.714 CB 1.533 15 residues pruned to eliminate duplicates Z: 24 17.982 1.802 0.636 0.518 0.913 0.348 CB 1.369 20 residues pruned to eliminate duplicates Z: 6 4.746 1.407 0.664 0.289 1.000 0.000 CA 1.149 4 residues pruned to eliminate duplicates Z: 14 19.387 1.888 0.650 0.868 0.923 0.538 CA 1.366 14 residues pruned to eliminate duplicates Z: 24 15.196 1.791 0.573 0.556 0.870 0.478 CB 1.225 24 residues pruned to eliminate duplicates Z: 30 16.908 1.747 0.544 0.660 0.862 0.552 CB 1.164 30 residues pruned to eliminate duplicates Z: 23 16.058 1.848 0.593 0.563 0.864 0.455 CA 1.267 23 residues pruned to eliminate duplicates Z: 13 21.911 1.914 0.696 0.919 1.000 0.833 CB 1.373 13 residues pruned to eliminate duplicates Z: 32 19.157 1.725 0.635 0.732 0.903 0.677 CB 1.096 32 residues pruned to eliminate duplicates Z: 37 20.018 1.762 0.516 0.669 0.917 0.639 CB 1.165 37 residues pruned to eliminate duplicates Z: 42 19.680 1.743 0.512 0.658 0.878 0.683 CB 1.147 42 residues pruned to eliminate duplicates Z: 36 18.193 1.749 0.593 0.607 0.886 0.571 CB 1.125 36 residues pruned to eliminate duplicates Z: 26 13.715 1.740 0.653 0.467 0.840 0.320 CB 1.173 26 residues pruned to eliminate duplicates Z: 22 16.190 1.862 0.655 0.586 0.810 0.571 CB 1.305 22 residues pruned to eliminate duplicates Z: 36 17.565 1.755 0.537 0.562 0.914 0.571 CB 1.133 36 residues pruned to eliminate duplicates Z: 32 18.464 1.700 0.633 0.699 0.903 0.516 CB 1.104 32 residues pruned to eliminate duplicates Z: 33 17.167 1.718 0.569 0.605 0.875 0.562 CB 1.165 33 residues pruned to eliminate duplicates Z: 49 16.710 1.766 0.338 0.509 0.896 0.542 CB 1.129 49 residues pruned to eliminate duplicates Z: 13 9.842 1.647 0.329 0.778 1.000 0.750 CB 1.015 13 residues pruned to eliminate duplicates Z: 19 9.757 1.649 0.386 0.674 0.889 0.500 CB 0.964 19 residues pruned to eliminate duplicates Z: 39 21.720 1.756 0.601 0.655 0.947 0.579 CB 1.145 53 residues pruned to eliminate duplicates Z: 12 10.031 1.582 0.221 0.880 1.000 0.727 CB 1.134 12 residues pruned to eliminate duplicates Z: 40 15.674 1.712 0.362 0.550 0.923 0.564 CB 1.110 40 residues pruned to eliminate duplicates Z: 41 16.545 1.718 0.408 0.548 0.900 0.525 CB 1.146 41 residues pruned to eliminate duplicates Z: 20 11.694 1.613 0.461 0.677 0.947 0.737 CB 1.021 20 residues pruned to eliminate duplicates Z: 19 10.617 1.614 0.419 0.686 0.889 0.667 CB 1.037 19 residues pruned to eliminate duplicates Z: 20 10.996 1.581 0.409 0.680 0.947 0.632 CB 1.012 20 residues pruned to eliminate duplicates Z: 18 11.172 1.573 0.594 0.688 0.882 0.588 CB 1.031 18 residues pruned to eliminate duplicates Z: 42 15.997 1.737 0.327 0.604 0.878 0.512 CB 1.117 42 residues pruned to eliminate duplicates Z: 32 11.986 1.623 0.454 0.456 0.871 0.516 CB 1.096 18 residues pruned to eliminate duplicates Z: 6 4.073 1.756 0.005 0.389 1.000 0.400 CB 1.161 6 residues pruned to eliminate duplicates Z: 36 14.122 1.709 0.402 0.485 0.971 0.543 CB 1.041 38 residues pruned to eliminate duplicates 6 1.906 1.523 0.034 0.296 0.800 0.200 CA 0.850 ? Z: 29 18.130 1.883 0.002 0.870 1.000 0.964 CB 1.325 29 residues pruned to eliminate duplicates Z: 61 41.058 1.994 0.619 0.726 0.967 0.633 CB 1.386 61 residues pruned to eliminate duplicates Z: 27 25.356 1.993 0.402 0.869 0.962 0.731 CA 1.352 27 residues pruned to eliminate duplicates Z: 37 21.911 1.912 0.249 0.707 0.972 0.778 CB 1.302 37 residues pruned to eliminate duplicates Z: 38 25.450 1.954 0.416 0.729 0.973 0.811 CB 1.265 38 residues pruned to eliminate duplicates Z: 36 24.704 1.946 0.322 0.763 0.971 0.771 CB 1.323 36 residues pruned to eliminate duplicates Z: 32 24.510 2.025 0.423 0.742 0.935 0.742 CB 1.315 32 residues pruned to eliminate duplicates Z: 37 26.205 1.952 0.431 0.700 0.972 0.806 CB 1.340 37 residues pruned to eliminate duplicates Z: 103 50.886 1.989 0.728 0.708 0.941 0.735 CB 1.290 103 residues pruned to eliminate duplicates Z: 43 23.239 1.926 0.359 0.627 0.952 0.786 CB 1.275 43 residues pruned to eliminate duplicates Z: 53 36.381 1.975 0.594 0.711 0.962 0.731 CB 1.376 53 residues pruned to eliminate duplicates Z: 44 23.251 1.849 0.411 0.628 0.930 0.674 CB 1.295 44 residues pruned to eliminate duplicates Z: 102 54.606 1.991 0.841 0.715 0.931 0.634 CB 1.312 102 residues pruned to eliminate duplicates Z: 61 40.990 2.047 0.687 0.679 0.950 0.667 CB 1.368 61 residues pruned to eliminate duplicates Z: 46 25.877 1.903 0.577 0.627 0.956 0.600 CB 1.194 46 residues pruned to eliminate duplicates Z: 38 25.919 1.927 0.569 0.694 0.946 0.595 CB 1.248 38 residues pruned to eliminate duplicates Z: 36 25.600 1.959 0.556 0.743 0.914 0.514 CB 1.250 36 residues pruned to eliminate duplicates Z: 37 28.613 1.951 0.727 0.737 0.917 0.611 CB 1.249 37 residues pruned to eliminate duplicates Z: 35 31.476 2.002 0.609 0.785 1.000 0.676 CB 1.304 35 residues pruned to eliminate duplicates Z: 55 37.368 1.973 0.852 0.699 0.907 0.519 CB 1.279 55 residues pruned to eliminate duplicates Z: 38 27.744 1.936 0.630 0.741 0.973 0.649 CB 1.197 38 residues pruned to eliminate duplicates Z: 37 28.124 1.995 0.659 0.724 0.917 0.556 CB 1.262 37 residues pruned to eliminate duplicates Z: 107 52.221 1.958 0.787 0.683 0.953 0.566 CB 1.286 99 residues pruned to eliminate duplicates Z: 26 35.021 2.059 0.894 0.909 1.000 0.400 CB 1.275 26 residues pruned to eliminate duplicates Z: 37 26.755 1.959 0.648 0.709 0.917 0.583 CB 1.247 37 residues pruned to eliminate duplicates Z: 36 28.506 1.973 0.651 0.721 0.943 0.571 CB 1.286 36 residues pruned to eliminate duplicates Z: 45 21.500 1.899 0.556 0.579 0.864 0.432 CB 1.177 45 residues pruned to eliminate duplicates Z: 37 28.083 1.979 0.678 0.735 0.944 0.556 CB 1.208 37 residues pruned to eliminate duplicates Z: 37 26.171 1.981 0.691 0.727 0.889 0.556 CB 1.194 37 residues pruned to eliminate duplicates Z: 9 4.443 1.856 0.605 0.153 0.750 0.250 CB 1.076 9 residues pruned to eliminate duplicates Z: 10 4.370 1.476 0.789 0.159 0.778 0.111 CA 1.076 10 residues pruned to eliminate duplicates Z: 35 25.406 1.975 0.575 0.748 0.912 0.647 CB 1.231 35 residues pruned to eliminate duplicates Z: 10 6.331 1.903 0.717 0.157 0.778 0.222 CB 1.264 10 residues pruned to eliminate duplicates Z: 76 47.466 2.020 0.917 0.645 0.933 0.720 CB 1.324 75 residues pruned to eliminate duplicates Z: 6 6.022 1.679 0.476 0.343 1.000 0.600 CA 1.289 6 residues pruned to eliminate duplicates Z: 61 46.630 2.048 0.818 0.697 0.983 0.750 CB 1.374 61 residues pruned to eliminate duplicates Z: 71 46.985 1.969 0.848 0.670 0.986 0.757 CB 1.338 71 residues pruned to eliminate duplicates Z: 27 35.539 2.064 1.012 0.583 1.000 0.615 CB 1.550 27 residues pruned to eliminate duplicates Z: 27 28.836 2.073 0.929 0.565 0.885 0.577 CB 1.501 27 residues pruned to eliminate duplicates Z: 71 43.910 1.982 0.776 0.663 0.957 0.714 CB 1.340 71 residues pruned to eliminate duplicates Z: 63 41.993 2.026 0.788 0.657 0.952 0.484 CB 1.336 63 residues pruned to eliminate duplicates Z: 74 36.695 1.934 0.729 0.560 0.904 0.658 CB 1.341 74 residues pruned to eliminate duplicates Z: 102 51.622 1.999 0.742 0.714 0.931 0.653 CB 1.306 102 residues pruned to eliminate duplicates Z: 25 31.704 2.075 1.088 0.658 0.875 0.542 CB 1.474 25 residues pruned to eliminate duplicates Z: 61 53.174 2.051 0.871 0.773 1.000 0.800 CB 1.405 68 residues pruned to eliminate duplicates Z: 30 43.928 2.067 0.994 0.854 1.000 0.828 CB 1.462 30 residues pruned to eliminate duplicates Z: 27 31.995 2.069 0.994 0.593 0.962 0.654 CB 1.447 27 residues pruned to eliminate duplicates Z: 66 45.741 1.998 0.747 0.714 0.985 0.769 CB 1.359 66 residues pruned to eliminate duplicates Z: 71 40.204 1.973 0.861 0.638 0.914 0.643 CB 1.258 71 residues pruned to eliminate duplicates Z: 23 36.088 2.140 0.986 0.675 0.955 0.682 CA 1.613 23 residues pruned to eliminate duplicates Z: 27 31.807 2.081 0.858 0.595 0.962 0.577 CB 1.531 27 residues pruned to eliminate duplicates Z: 30 33.479 2.117 0.924 0.555 0.966 0.759 CB 1.498 30 residues pruned to eliminate duplicates Z: 71 44.592 1.994 0.814 0.688 0.986 0.771 CB 1.259 71 residues pruned to eliminate duplicates Z: 62 48.352 2.009 0.804 0.754 0.984 0.770 CB 1.384 62 residues pruned to eliminate duplicates Z: 67 46.038 2.003 0.750 0.713 0.985 0.758 CB 1.354 67 residues pruned to eliminate duplicates Z: 73 43.162 1.986 0.793 0.650 0.931 0.722 CB 1.334 73 residues pruned to eliminate duplicates Z: 68 47.193 1.965 0.764 0.706 1.000 0.776 CB 1.379 68 residues pruned to eliminate duplicates Z: 64 50.663 2.038 0.815 0.736 0.984 0.825 CB 1.419 64 residues pruned to eliminate duplicates Z: 75 41.519 1.998 0.633 0.637 0.959 0.811 CB 1.356 69 residues pruned to eliminate duplicates Z: 12 12.702 1.940 0.269 0.815 1.000 0.727 CA 1.182 12 residues pruned to eliminate duplicates Z: 35 31.621 2.058 0.672 0.725 0.941 0.824 CA 1.367 35 residues pruned to eliminate duplicates Z: 70 46.373 2.016 0.718 0.687 0.971 0.826 CB 1.398 70 residues pruned to eliminate duplicates Z: 71 40.953 1.998 0.654 0.677 0.929 0.757 CB 1.355 71 residues pruned to eliminate duplicates Z: 66 49.174 2.024 0.824 0.717 0.969 0.831 CB 1.400 66 residues pruned to eliminate duplicates Z: 66 43.740 2.029 0.675 0.710 0.969 0.800 CB 1.362 66 residues pruned to eliminate duplicates Z: 72 45.541 2.002 0.780 0.671 0.944 0.704 CB 1.373 71 residues pruned to eliminate duplicates Z: 12 16.833 2.007 0.505 0.795 1.000 0.727 CA 1.298 12 residues pruned to eliminate duplicates Z: 66 47.828 2.012 0.778 0.716 0.985 0.769 CB 1.385 66 residues pruned to eliminate duplicates Z: 60 51.326 2.038 0.826 0.769 1.000 0.881 CA 1.414 60 residues pruned to eliminate duplicates Z: 67 46.672 2.014 0.800 0.717 0.970 0.788 CB 1.342 67 residues pruned to eliminate duplicates Z: 88 41.793 1.933 0.709 0.640 0.908 0.632 CB 1.310 90 residues pruned to eliminate duplicates Z: 15 22.709 1.944 0.931 0.833 0.929 0.643 CA 1.307 15 residues pruned to eliminate duplicates Z: 68 45.983 1.982 0.826 0.696 0.970 0.746 CB 1.338 68 residues pruned to eliminate duplicates Z: 64 48.160 2.051 0.741 0.721 1.000 0.778 CB 1.392 64 residues pruned to eliminate duplicates Z: 66 42.680 1.987 0.758 0.693 0.938 0.723 CB 1.354 66 residues pruned to eliminate duplicates Z: 78 46.750 1.991 0.833 0.638 0.935 0.675 CB 1.372 78 residues pruned to eliminate duplicates Z: 67 45.355 2.023 0.812 0.692 0.955 0.636 CB 1.338 67 residues pruned to eliminate duplicates Z: 80 46.176 1.958 0.763 0.668 0.962 0.658 CB 1.339 80 residues pruned to eliminate duplicates Z: 32 26.451 1.895 0.997 0.738 0.903 0.645 CB 1.122 32 residues pruned to eliminate duplicates Z: 60 50.428 2.064 0.793 0.761 0.983 0.847 CB 1.432 60 residues pruned to eliminate duplicates Z: 65 48.248 2.022 0.792 0.720 1.000 0.766 CB 1.364 65 residues pruned to eliminate duplicates Z: 69 49.031 2.052 0.788 0.694 0.985 0.735 CB 1.377 69 residues pruned to eliminate duplicates Z: 72 45.694 2.008 0.792 0.649 0.958 0.662 CB 1.369 72 residues pruned to eliminate duplicates Z: 107 49.694 1.998 0.730 0.684 0.906 0.651 CB 1.303 107 residues pruned to eliminate duplicates Z: 61 48.495 2.043 0.835 0.764 0.967 0.800 CB 1.368 61 residues pruned to eliminate duplicates Z: 73 44.927 1.983 0.754 0.666 0.958 0.736 CB 1.363 73 residues pruned to eliminate duplicates Z: 65 49.370 2.040 0.868 0.719 0.969 0.812 CB 1.371 65 residues pruned to eliminate duplicates Z: 71 45.849 2.007 0.779 0.679 0.957 0.714 CB 1.360 71 residues pruned to eliminate duplicates Z: 66 48.292 2.019 0.819 0.711 0.985 0.800 CB 1.368 66 residues pruned to eliminate duplicates Z: 76 46.366 2.020 0.765 0.647 0.960 0.773 CB 1.364 76 residues pruned to eliminate duplicates Z: 71 46.132 2.006 0.860 0.663 0.943 0.729 CB 1.348 71 residues pruned to eliminate duplicates Z: 71 46.269 2.012 0.786 0.680 0.943 0.743 CB 1.383 71 residues pruned to eliminate duplicates Z: 45 33.727 1.884 0.862 0.719 0.909 0.727 CB 1.308 45 residues pruned to eliminate duplicates Z: 66 45.270 2.015 0.782 0.710 0.954 0.662 CB 1.354 66 residues pruned to eliminate duplicates Z: 71 45.007 1.990 0.747 0.659 0.957 0.671 CB 1.395 71 residues pruned to eliminate duplicates Z: 71 45.002 1.990 0.771 0.656 0.957 0.686 CB 1.380 71 residues pruned to eliminate duplicates Z: 67 49.887 2.020 0.872 0.704 0.970 0.742 CB 1.391 67 residues pruned to eliminate duplicates Z: 72 45.459 1.998 0.745 0.669 0.972 0.690 CB 1.362 72 residues pruned to eliminate duplicates Z: 66 47.436 2.032 0.842 0.710 0.954 0.677 CB 1.361 66 residues pruned to eliminate duplicates Z: 80 41.642 1.943 0.678 0.672 0.949 0.671 CB 1.292 80 residues pruned to eliminate duplicates Z: 72 48.182 2.002 0.878 0.660 0.958 0.704 CB 1.369 72 residues pruned to eliminate duplicates Z: 72 42.661 1.990 0.731 0.662 0.944 0.704 CB 1.341 72 residues pruned to eliminate duplicates Z: 9 5.070 1.341 0.307 0.703 1.000 0.750 CB 0.850 9 residues pruned to eliminate duplicates Z: 53 31.158 1.840 0.784 0.684 0.942 0.750 CB 1.180 53 residues pruned to eliminate duplicates Z: 11 8.352 1.602 0.391 0.767 1.000 0.500 CB 0.936 11 residues pruned to eliminate duplicates Z: 10 10.722 1.627 0.479 0.846 1.000 0.556 CB 1.103 10 residues pruned to eliminate duplicates Z: 10 10.441 1.642 0.581 0.873 0.889 0.556 CB 1.098 10 residues pruned to eliminate duplicates Z: 11 8.814 1.563 0.363 0.788 0.900 0.300 CB 1.129 11 residues pruned to eliminate duplicates Z: 10 9.821 1.623 0.480 0.875 0.889 0.556 CB 1.115 10 residues pruned to eliminate duplicates 420 residues left after pruning, divided into chains as follows: A: 190 B: 16 C: 24 D: 53 E: 137 CC for partial structure against native data = 39.81 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.472, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.553, Connect. = 0.767 for dens.mod. cycle 2 = 0.300, Contrast = 0.659, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.670, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.683, Connect. = 0.799 for dens.mod. cycle 5 = 0.300, Contrast = 0.688, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.694, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.697, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.700, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.702, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2969 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 574 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 32.925 2.275 0.833 0.879 1.000 0.923 CA 1.587 B: 24 37.343 2.216 0.964 0.839 0.913 0.435 CB 1.464 C: 16 21.921 1.956 0.627 0.907 0.933 0.867 CA 1.354 15 residues pruned to eliminate duplicates D: 18 41.242 2.327 1.121 0.885 0.941 0.647 CA 1.555 E: 15 27.227 1.974 0.983 0.912 1.000 0.929 CA 1.317 F: 24 50.526 2.250 1.076 0.881 1.000 0.739 CB 1.632 24 residues pruned to eliminate duplicates G: 14 32.552 2.223 1.087 0.930 1.000 0.923 CA 1.361 H: 24 48.479 2.259 1.217 0.901 0.957 0.565 CB 1.507 25 residues pruned to eliminate duplicates I: 23 42.695 2.312 0.902 0.893 0.955 0.636 CB 1.558 23 residues pruned to eliminate duplicates J: 26 37.663 2.171 0.807 0.906 0.960 0.640 CB 1.423 K: 14 28.302 2.314 0.830 0.842 0.923 0.615 CB 1.496 L: 27 37.914 2.158 0.854 0.889 0.962 0.538 CB 1.391 26 residues pruned to eliminate duplicates M: 27 34.141 2.174 0.605 0.884 0.923 0.808 CA 1.503 27 residues pruned to eliminate duplicates N: 19 49.467 2.263 1.229 0.898 1.000 0.722 CA 1.654 18 residues pruned to eliminate duplicates O: 18 50.799 2.317 1.246 0.932 1.000 0.765 CA 1.654 18 residues pruned to eliminate duplicates P: 15 24.001 2.103 1.096 0.920 0.929 0.786 CB 1.103 15 residues pruned to eliminate duplicates Q: 14 22.704 2.204 0.486 0.900 1.000 0.769 CB 1.373 15 residues pruned to eliminate duplicates R: 18 49.455 2.315 1.143 0.916 1.000 0.765 CB 1.707 18 residues pruned to eliminate duplicates S: 30 53.998 2.177 1.169 0.862 1.000 0.724 CA 1.559 18 residues pruned to eliminate duplicates T: 19 39.039 2.237 0.928 0.867 0.944 0.667 CA 1.652 19 residues pruned to eliminate duplicates U: 23 52.261 2.315 1.140 0.895 1.000 0.636 CB 1.613 23 residues pruned to eliminate duplicates V: 17 50.478 2.420 1.186 0.905 0.938 0.438 CA 1.811 18 residues pruned to eliminate duplicates W: 27 29.183 2.145 0.457 0.876 0.923 0.731 CB 1.442 27 residues pruned to eliminate duplicates X: 23 49.639 2.334 0.948 0.913 1.000 0.636 CB 1.647 23 residues pruned to eliminate duplicates Y: 18 48.394 2.311 1.254 0.901 0.941 0.529 CA 1.708 18 residues pruned to eliminate duplicates Z: 15 28.227 2.137 0.875 0.848 1.000 0.929 CA 1.396 15 residues pruned to eliminate duplicates Z: 15 30.254 2.184 1.024 0.915 0.929 0.857 CA 1.392 15 residues pruned to eliminate duplicates Z: 17 47.313 2.280 1.243 0.920 1.000 0.875 CB 1.629 Z: 25 50.271 2.223 1.179 0.905 0.958 0.500 CA 1.573 25 residues pruned to eliminate duplicates Z: 12 24.340 2.054 0.731 0.900 1.000 1.000 CB 1.473 Z: 16 44.764 2.241 1.269 0.926 1.000 0.533 CB 1.593 16 residues pruned to eliminate duplicates Z: 22 31.726 2.065 0.654 0.877 0.952 0.714 CB 1.546 Z: 17 45.377 2.287 1.172 0.944 1.000 0.875 CB 1.581 17 residues pruned to eliminate duplicates Z: 15 25.493 2.069 0.906 0.852 1.000 0.857 CA 1.278 15 residues pruned to eliminate duplicates Z: 18 43.251 2.236 1.055 0.918 0.941 0.588 CB 1.711 18 residues pruned to eliminate duplicates Z: 19 47.699 2.260 1.162 0.895 1.000 0.667 CA 1.649 19 residues pruned to eliminate duplicates Z: 14 24.817 1.948 0.908 0.915 1.000 1.000 CA 1.308 14 residues pruned to eliminate duplicates Z: 20 42.486 2.142 1.182 0.897 1.000 0.842 CA 1.492 20 residues pruned to eliminate duplicates Z: 20 48.133 2.198 1.205 0.925 1.000 0.684 CB 1.599 22 residues pruned to eliminate duplicates Z: 13 11.746 1.864 0.232 0.913 1.000 0.833 CA 1.045 13 residues pruned to eliminate duplicates Z: 23 50.153 2.285 1.133 0.927 1.000 0.727 CB 1.538 23 residues pruned to eliminate duplicates Z: 26 38.387 2.214 0.858 0.924 0.920 0.720 CB 1.425 26 residues pruned to eliminate duplicates Z: 18 36.904 2.168 0.856 0.946 1.000 1.000 CA 1.539 18 residues pruned to eliminate duplicates Z: 14 22.436 2.258 0.628 0.810 0.923 0.692 CB 1.400 14 residues pruned to eliminate duplicates Z: 16 46.007 2.314 1.115 0.917 1.000 1.000 CA 1.713 16 residues pruned to eliminate duplicates Z: 21 38.255 2.119 1.058 0.888 0.950 0.550 CB 1.488 21 residues pruned to eliminate duplicates Z: 25 29.295 2.235 0.348 0.920 0.958 0.875 CB 1.458 25 residues pruned to eliminate duplicates Z: 24 31.225 2.226 0.559 0.908 0.957 0.652 CB 1.393 24 residues pruned to eliminate duplicates Z: 15 31.283 2.237 0.740 0.944 1.000 0.929 CA 1.488 13 residues pruned to eliminate duplicates Z: 19 42.701 2.192 1.225 0.922 1.000 0.667 CA 1.451 19 residues pruned to eliminate duplicates Z: 15 25.725 2.128 0.880 0.851 0.929 0.714 CA 1.369 16 residues pruned to eliminate duplicates Z: 15 17.182 1.953 0.736 0.531 0.929 0.714 CA 1.414 Z: 21 45.268 2.134 1.267 0.901 1.000 0.500 CB 1.493 20 residues pruned to eliminate duplicates Z: 17 43.293 2.239 1.149 0.937 1.000 0.812 CB 1.565 17 residues pruned to eliminate duplicates Z: 14 38.061 2.283 1.129 0.942 1.000 0.769 CA 1.506 14 residues pruned to eliminate duplicates Z: 18 41.569 2.174 0.972 0.874 1.000 0.941 CB 1.711 18 residues pruned to eliminate duplicates Z: 25 28.959 2.067 0.575 0.915 0.958 0.708 CB 1.339 Z: 26 30.389 2.246 0.756 0.603 0.880 0.640 CB 1.587 13 residues pruned to eliminate duplicates Z: 27 34.001 2.136 0.542 0.885 1.000 0.885 CB 1.462 27 residues pruned to eliminate duplicates Z: 18 37.343 2.136 0.965 0.920 1.000 1.000 CB 1.520 18 residues pruned to eliminate duplicates Z: 25 31.929 2.058 0.787 0.922 0.958 0.667 CB 1.300 25 residues pruned to eliminate duplicates Z: 10 18.975 2.170 0.835 0.918 1.000 0.889 CB 1.121 10 residues pruned to eliminate duplicates Z: 17 46.242 2.388 0.960 0.939 0.938 0.562 CA 1.831 17 residues pruned to eliminate duplicates Z: 14 28.506 2.293 0.661 0.841 0.923 0.846 CB 1.677 14 residues pruned to eliminate duplicates Z: 18 45.450 2.218 1.044 0.920 1.000 0.882 CA 1.712 18 residues pruned to eliminate duplicates Z: 16 17.399 1.921 0.676 0.529 0.933 0.733 CA 1.453 15 residues pruned to eliminate duplicates Z: 25 46.675 2.242 0.998 0.904 1.000 0.500 CB 1.515 25 residues pruned to eliminate duplicates Z: 20 49.983 2.191 1.224 0.932 1.000 0.579 CB 1.644 21 residues pruned to eliminate duplicates Z: 46 32.586 2.069 0.829 0.591 0.889 0.578 CB 1.324 28 residues pruned to eliminate duplicates Z: 17 43.248 2.219 1.232 0.929 1.000 0.625 CB 1.527 17 residues pruned to eliminate duplicates Z: 19 43.183 2.272 1.082 0.879 1.000 0.833 CA 1.560 19 residues pruned to eliminate duplicates Z: 21 34.940 2.131 1.019 0.907 0.850 0.550 CB 1.519 21 residues pruned to eliminate duplicates Z: 14 20.928 1.998 0.423 0.848 1.000 0.846 CA 1.515 14 residues pruned to eliminate duplicates Z: 9 8.572 1.948 0.291 0.439 0.875 0.500 CB 1.467 8 residues pruned to eliminate duplicates Z: 11 13.367 2.085 0.528 0.810 0.900 0.700 CB 1.125 11 residues pruned to eliminate duplicates Z: 12 18.706 1.947 0.512 0.883 1.000 0.818 CB 1.386 12 residues pruned to eliminate duplicates Z: 14 18.492 2.089 0.554 0.804 0.923 0.692 CB 1.312 14 residues pruned to eliminate duplicates Z: 13 37.505 2.309 1.138 0.906 1.000 0.500 CB 1.561 13 residues pruned to eliminate duplicates Z: 15 21.476 2.007 0.495 0.911 0.929 0.929 CB 1.459 Z: 25 27.463 2.068 0.496 0.913 0.958 0.667 CB 1.338 25 residues pruned to eliminate duplicates Z: 15 25.679 2.189 0.945 0.774 0.929 0.500 CB 1.362 15 residues pruned to eliminate duplicates Z: 27 36.743 2.142 0.825 0.878 0.962 0.500 CB 1.391 27 residues pruned to eliminate duplicates Z: 16 17.369 1.928 0.254 0.902 1.000 0.933 CA 1.323 16 residues pruned to eliminate duplicates Z: 8 10.549 1.754 0.890 0.633 0.857 0.571 CA 1.238 8 residues pruned to eliminate duplicates Z: 11 22.211 2.168 0.998 0.845 0.900 0.800 CB 1.339 12 residues pruned to eliminate duplicates Z: 28 44.610 2.127 0.953 0.867 1.000 0.815 CA 1.512 17 residues pruned to eliminate duplicates Z: 11 16.657 1.889 0.605 0.847 1.000 0.900 CB 1.290 11 residues pruned to eliminate duplicates Z: 15 36.485 2.148 1.318 0.816 1.000 0.500 CB 1.488 15 residues pruned to eliminate duplicates Z: 14 35.360 2.343 0.940 0.890 0.923 0.692 CA 1.682 14 residues pruned to eliminate duplicates Z: 15 35.724 2.254 0.976 0.885 1.000 0.500 CA 1.547 15 residues pruned to eliminate duplicates Z: 10 18.303 2.156 0.788 0.907 1.000 1.000 CB 1.125 10 residues pruned to eliminate duplicates Z: 20 40.665 2.200 0.850 0.932 1.000 0.684 CA 1.601 20 residues pruned to eliminate duplicates Z: 27 28.842 1.989 0.639 0.901 0.962 0.692 CB 1.287 26 residues pruned to eliminate duplicates Z: 10 17.298 1.976 0.735 0.818 1.000 0.778 CB 1.277 10 residues pruned to eliminate duplicates Z: 8 13.272 1.654 0.603 0.831 1.000 0.714 CA 1.421 8 residues pruned to eliminate duplicates Z: 26 25.879 2.053 0.315 0.921 0.960 0.960 CB 1.405 26 residues pruned to eliminate duplicates Z: 22 43.944 2.336 0.921 0.935 1.000 0.857 CA 1.489 24 residues pruned to eliminate duplicates Z: 24 25.921 2.194 0.155 0.926 1.000 0.913 CB 1.496 24 residues pruned to eliminate duplicates Z: 14 37.946 2.247 1.475 0.926 0.923 0.615 CA 1.438 14 residues pruned to eliminate duplicates Z: 19 42.909 2.253 1.012 0.860 1.000 0.778 CB 1.640 19 residues pruned to eliminate duplicates Z: 7 13.172 1.857 0.661 0.872 0.833 0.833 CA 1.525 7 residues pruned to eliminate duplicates Z: 16 16.215 1.910 0.254 0.851 0.933 0.933 CA 1.386 16 residues pruned to eliminate duplicates Z: 8 9.024 1.793 0.423 0.519 1.000 0.714 CA 1.312 8 residues pruned to eliminate duplicates Z: 19 42.692 2.268 1.137 0.924 0.944 0.778 CA 1.544 19 residues pruned to eliminate duplicates Z: 16 20.006 1.895 0.569 0.915 0.933 0.800 CB 1.315 15 residues pruned to eliminate duplicates Z: 17 18.250 1.871 0.389 0.886 0.938 0.875 CA 1.351 17 residues pruned to eliminate duplicates Z: 15 15.151 2.000 0.250 0.882 0.929 0.857 CB 1.262 15 residues pruned to eliminate duplicates Z: 19 33.314 2.134 0.957 0.877 0.944 0.389 CA 1.445 19 residues pruned to eliminate duplicates Z: 11 18.820 1.924 0.697 0.852 1.000 0.600 CB 1.348 11 residues pruned to eliminate duplicates Z: 25 39.753 2.258 0.954 0.908 0.958 0.667 CB 1.363 25 residues pruned to eliminate duplicates Z: 18 41.331 2.192 0.938 0.902 1.000 0.824 CB 1.683 18 residues pruned to eliminate duplicates Z: 12 21.648 2.065 0.493 0.886 1.000 1.000 CB 1.527 12 residues pruned to eliminate duplicates Z: 17 42.829 2.238 1.088 0.944 1.000 1.000 CB 1.586 17 residues pruned to eliminate duplicates Z: 19 36.534 2.211 1.157 0.875 0.944 0.833 CA 1.390 19 residues pruned to eliminate duplicates Z: 25 29.251 2.063 0.559 0.924 1.000 0.625 CB 1.304 25 residues pruned to eliminate duplicates Z: 21 34.815 2.129 0.834 0.931 1.000 0.650 CB 1.394 21 residues pruned to eliminate duplicates Z: 25 22.203 2.007 0.173 0.927 1.000 0.958 CA 1.349 25 residues pruned to eliminate duplicates Z: 20 21.569 1.986 0.421 0.901 0.947 0.842 CA 1.322 20 residues pruned to eliminate duplicates Z: 16 15.091 1.894 0.173 0.883 1.000 0.933 CA 1.269 16 residues pruned to eliminate duplicates Z: 12 19.116 1.948 0.922 0.909 1.000 1.000 CA 1.093 11 residues pruned to eliminate duplicates Z: 26 33.085 2.129 0.526 0.933 0.960 0.920 CB 1.482 26 residues pruned to eliminate duplicates Z: 25 36.159 2.238 0.526 0.936 1.000 0.958 CA 1.505 25 residues pruned to eliminate duplicates Z: 21 37.267 2.098 1.073 0.887 0.950 0.500 CB 1.454 21 residues pruned to eliminate duplicates Z: 15 33.630 2.119 1.247 0.926 0.929 0.714 CA 1.426 15 residues pruned to eliminate duplicates Z: 27 36.244 2.162 0.738 0.894 0.962 0.731 CB 1.410 27 residues pruned to eliminate duplicates Z: 10 4.910 1.705 0.655 0.280 0.778 0.556 CB 0.956 Z: 18 51.199 2.352 1.277 0.929 1.000 0.941 CA 1.623 18 residues pruned to eliminate duplicates Z: 14 24.613 2.156 0.705 0.880 0.923 0.846 CB 1.458 14 residues pruned to eliminate duplicates Z: 13 13.893 1.727 0.336 0.762 1.000 0.750 CB 1.378 13 residues pruned to eliminate duplicates Z: 16 24.106 2.005 0.931 0.869 0.933 0.800 CA 1.259 16 residues pruned to eliminate duplicates Z: 12 12.303 1.822 0.278 0.873 1.000 0.727 CA 1.160 12 residues pruned to eliminate duplicates Z: 20 47.362 2.205 1.132 0.930 1.000 0.474 CB 1.616 20 residues pruned to eliminate duplicates Z: 15 17.857 1.845 0.330 0.901 1.000 0.857 CA 1.388 15 residues pruned to eliminate duplicates Z: 19 27.174 2.118 0.461 0.921 1.000 0.944 CA 1.456 19 residues pruned to eliminate duplicates Z: 15 27.254 2.185 0.690 0.853 0.929 0.786 CB 1.570 15 residues pruned to eliminate duplicates Z: 24 48.812 2.284 1.016 0.938 1.000 0.478 CB 1.537 24 residues pruned to eliminate duplicates Z: 10 15.468 1.870 0.415 0.888 1.000 1.000 CB 1.403 Z: 13 19.786 1.977 0.504 0.874 1.000 0.750 CB 1.398 12 residues pruned to eliminate duplicates Z: 53 56.823 2.251 0.992 0.689 0.942 0.712 CA 1.568 53 residues pruned to eliminate duplicates 6 1.745 1.582 -0.184 0.490 0.800 0.400 CB 0.763 ? Z: 9 12.023 1.896 0.167 0.851 1.000 0.500 CB 1.422 9 residues pruned to eliminate duplicates Z: 14 29.841 2.185 1.235 0.908 0.923 0.538 CA 1.303 14 residues pruned to eliminate duplicates Z: 16 21.367 1.941 0.597 0.881 0.933 0.800 CA 1.380 16 residues pruned to eliminate duplicates Z: 11 19.649 2.134 0.900 0.777 0.900 0.700 CB 1.333 11 residues pruned to eliminate duplicates Z: 16 26.918 1.962 0.931 0.864 0.933 0.867 CA 1.441 16 residues pruned to eliminate duplicates Z: 25 25.704 1.996 0.313 0.939 1.000 0.792 CA 1.391 25 residues pruned to eliminate duplicates Z: 9 14.817 2.014 0.295 0.914 1.000 1.000 CB 1.421 9 residues pruned to eliminate duplicates Z: 20 31.194 2.168 0.523 0.926 1.000 0.895 CA 1.520 20 residues pruned to eliminate duplicates Z: 25 25.952 2.048 0.470 0.881 0.958 0.750 CB 1.329 25 residues pruned to eliminate duplicates Z: 25 30.336 2.135 0.619 0.897 0.917 0.583 CB 1.398 25 residues pruned to eliminate duplicates Z: 14 14.882 2.148 -0.074 0.895 1.000 0.923 CB 1.489 14 residues pruned to eliminate duplicates Z: 15 33.294 2.218 1.203 0.911 1.000 0.786 CA 1.291 15 residues pruned to eliminate duplicates Z: 13 42.266 2.319 1.264 0.944 1.000 0.917 CB 1.609 13 residues pruned to eliminate duplicates Z: 6 3.853 1.629 0.458 0.384 1.000 0.400 CB 0.821 Z: 14 13.067 1.808 0.545 0.854 0.846 0.692 CA 1.133 Z: 11 15.412 2.067 0.689 0.857 1.000 0.900 CB 1.028 11 residues pruned to eliminate duplicates Z: 21 36.175 2.122 1.062 0.833 0.900 0.700 CA 1.541 21 residues pruned to eliminate duplicates Z: 26 33.072 2.079 0.848 0.820 0.960 0.760 CB 1.358 26 residues pruned to eliminate duplicates Z: 16 25.764 2.272 0.485 0.839 1.000 0.733 CB 1.472 16 residues pruned to eliminate duplicates Z: 16 15.558 1.780 0.570 0.843 0.933 0.800 CA 1.147 16 residues pruned to eliminate duplicates Z: 14 17.619 1.932 0.477 0.646 1.000 0.846 CB 1.494 14 residues pruned to eliminate duplicates Z: 14 25.251 2.164 1.057 0.879 1.000 0.615 CB 1.141 14 residues pruned to eliminate duplicates Z: 15 30.940 2.180 0.871 0.859 1.000 0.857 CA 1.492 15 residues pruned to eliminate duplicates Z: 6 10.456 1.926 0.157 0.851 1.000 0.600 CB 1.553 6 residues pruned to eliminate duplicates Z: 14 36.703 2.188 1.185 0.931 1.000 0.615 CA 1.488 14 residues pruned to eliminate duplicates Z: 9 12.396 1.861 0.302 0.919 1.000 0.750 CB 1.275 9 residues pruned to eliminate duplicates Z: 26 35.762 2.234 0.634 0.918 0.960 0.720 CB 1.440 26 residues pruned to eliminate duplicates Z: 14 33.530 2.103 1.101 0.912 1.000 0.769 CB 1.490 15 residues pruned to eliminate duplicates Z: 9 12.947 1.879 0.283 0.908 1.000 1.000 CA 1.349 9 residues pruned to eliminate duplicates Z: 15 25.536 2.075 0.802 0.917 1.000 0.786 CB 1.288 15 residues pruned to eliminate duplicates Z: 25 25.894 2.001 0.361 0.918 1.000 0.833 CA 1.369 25 residues pruned to eliminate duplicates Z: 6 9.363 1.722 0.330 0.836 1.000 0.800 CA 1.368 6 0.251 1.608 0.504 0.350 0.600 0.400 CB 0.091 ? Z: 25 30.627 2.064 0.672 0.910 0.958 0.625 CB 1.340 26 residues pruned to eliminate duplicates Z: 15 23.603 2.006 0.774 0.890 0.929 0.857 CB 1.373 15 residues pruned to eliminate duplicates Z: 15 11.430 1.587 0.470 0.884 0.929 0.714 CB 1.019 14 residues pruned to eliminate duplicates Z: 26 26.441 2.126 0.279 0.906 1.000 0.760 CB 1.383 26 residues pruned to eliminate duplicates Z: 25 26.936 2.010 0.367 0.919 1.000 0.667 CA 1.410 24 residues pruned to eliminate duplicates Z: 12 20.197 1.997 0.700 0.846 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 12 14.898 1.994 0.220 0.900 1.000 0.909 CA 1.319 12 residues pruned to eliminate duplicates Z: 26 28.754 2.155 0.319 0.922 0.960 0.880 CB 1.483 26 residues pruned to eliminate duplicates Z: 13 23.212 1.874 0.901 0.915 1.000 0.750 CA 1.330 15 residues pruned to eliminate duplicates Z: 10 18.396 1.990 0.685 0.881 1.000 0.889 CB 1.323 10 residues pruned to eliminate duplicates Z: 18 10.505 1.962 0.445 0.343 0.706 0.471 CB 1.511 18 residues pruned to eliminate duplicates Z: 16 21.031 1.899 0.729 0.855 1.000 0.733 CA 1.221 16 residues pruned to eliminate duplicates Z: 14 25.982 2.229 0.679 0.857 0.923 0.923 CA 1.538 14 residues pruned to eliminate duplicates Z: 15 16.801 1.938 0.394 0.856 0.929 0.857 CB 1.320 15 residues pruned to eliminate duplicates Z: 20 42.345 2.223 1.029 0.914 0.947 0.579 CA 1.607 20 residues pruned to eliminate duplicates Z: 36 21.716 1.844 0.658 0.745 0.857 0.343 CB 1.125 31 residues pruned to eliminate duplicates Z: 14 17.263 1.916 0.540 0.578 1.000 0.769 CB 1.506 17 residues pruned to eliminate duplicates Z: 15 24.173 1.990 0.832 0.928 0.929 0.643 CB 1.336 15 residues pruned to eliminate duplicates Z: 26 28.010 2.043 0.603 0.906 0.960 0.640 CB 1.267 31 residues pruned to eliminate duplicates Z: 69 60.191 2.217 0.875 0.707 0.941 0.676 CB 1.547 70 residues pruned to eliminate duplicates Z: 22 52.498 2.371 1.066 0.918 1.000 0.429 CB 1.649 22 residues pruned to eliminate duplicates Z: 15 27.816 2.053 1.053 0.856 0.929 0.714 CA 1.401 15 residues pruned to eliminate duplicates Z: 16 24.711 1.971 0.546 0.904 1.000 0.733 CA 1.491 16 residues pruned to eliminate duplicates Z: 26 40.884 2.163 0.879 0.900 0.960 0.680 CB 1.497 26 residues pruned to eliminate duplicates Z: 11 18.615 1.886 0.681 0.914 1.000 0.800 CB 1.313 12 residues pruned to eliminate duplicates Z: 6 4.097 1.505 0.179 0.551 1.000 1.000 CB 0.983 6 residues pruned to eliminate duplicates Z: 12 18.659 1.848 0.690 0.849 1.000 0.636 CB 1.336 11 residues pruned to eliminate duplicates Z: 72 56.736 2.170 0.860 0.688 0.930 0.662 CA 1.511 72 residues pruned to eliminate duplicates Z: 25 33.282 2.216 0.477 0.933 1.000 0.875 CB 1.449 25 residues pruned to eliminate duplicates Z: 13 35.783 2.219 1.386 0.933 0.917 0.750 CA 1.486 13 residues pruned to eliminate duplicates Z: 14 34.588 2.095 1.136 0.898 1.000 0.538 CB 1.533 14 residues pruned to eliminate duplicates Z: 13 24.311 1.956 0.914 0.893 1.000 0.500 CB 1.346 13 residues pruned to eliminate duplicates Z: 16 14.930 1.772 0.643 0.857 0.933 0.800 CB 1.045 Z: 58 55.805 2.177 0.854 0.717 0.947 0.684 CB 1.589 54 residues pruned to eliminate duplicates Z: 9 15.544 1.930 0.751 0.875 1.000 0.875 CA 1.183 9 residues pruned to eliminate duplicates Z: 15 27.293 1.936 1.138 0.901 0.929 0.643 CA 1.355 15 residues pruned to eliminate duplicates Z: 6 3.825 1.529 0.733 0.409 0.600 0.400 O 1.183 Z: 22 50.528 2.391 0.908 0.925 1.000 0.857 CA 1.696 22 residues pruned to eliminate duplicates Z: 14 17.496 1.761 0.730 0.888 1.000 0.615 CB 1.148 13 residues pruned to eliminate duplicates Z: 9 5.825 1.878 0.194 0.433 0.750 0.500 CA 1.313 9 residues pruned to eliminate duplicates Z: 19 41.458 2.226 1.046 0.900 1.000 0.889 CA 1.533 19 residues pruned to eliminate duplicates Z: 25 32.351 2.216 0.653 0.911 0.917 0.917 CB 1.394 26 residues pruned to eliminate duplicates Z: 11 13.506 1.845 0.302 0.876 1.000 0.900 CB 1.292 10 residues pruned to eliminate duplicates Z: 26 23.410 1.972 0.362 0.891 0.960 0.680 CB 1.306 26 residues pruned to eliminate duplicates Z: 24 24.977 2.063 0.333 0.868 1.000 0.783 CB 1.384 24 residues pruned to eliminate duplicates Z: 16 22.655 1.967 0.668 0.870 0.933 0.867 CB 1.394 16 residues pruned to eliminate duplicates Z: 24 28.055 2.097 0.679 0.907 0.913 0.696 CB 1.294 24 residues pruned to eliminate duplicates Z: 10 16.007 1.943 0.733 0.876 1.000 0.444 CB 1.151 10 residues pruned to eliminate duplicates Z: 26 27.370 2.045 0.406 0.912 1.000 0.880 CB 1.349 26 residues pruned to eliminate duplicates Z: 25 31.681 2.071 0.730 0.924 0.958 0.583 CB 1.323 25 residues pruned to eliminate duplicates Z: 11 14.739 1.875 0.677 0.894 0.900 0.400 CB 1.182 11 residues pruned to eliminate duplicates Z: 25 29.987 2.045 0.681 0.908 0.958 0.583 CB 1.319 25 residues pruned to eliminate duplicates Z: 12 20.751 1.979 1.202 0.849 0.909 0.636 CB 1.171 12 residues pruned to eliminate duplicates Z: 11 19.179 1.846 0.843 0.870 1.000 0.700 CA 1.301 11 residues pruned to eliminate duplicates Z: 33 41.519 2.288 0.963 0.549 0.969 0.750 CA 1.608 31 residues pruned to eliminate duplicates Z: 42 36.147 2.077 0.857 0.658 0.902 0.634 CB 1.401 44 residues pruned to eliminate duplicates Z: 6 3.394 1.607 -0.006 0.520 0.800 0.600 CB 1.165 Z: 37 31.540 1.871 0.780 0.829 0.972 0.806 CB 1.222 42 residues pruned to eliminate duplicates Z: 26 23.475 2.004 0.208 0.874 1.000 0.720 CB 1.412 25 residues pruned to eliminate duplicates Z: 27 17.937 1.914 0.298 0.654 0.923 0.769 CB 1.330 27 residues pruned to eliminate duplicates Z: 27 33.932 2.150 0.574 0.900 0.962 0.808 CA 1.461 26 residues pruned to eliminate duplicates Z: 14 33.201 2.220 1.240 0.918 0.923 0.615 CA 1.414 14 residues pruned to eliminate duplicates Z: 68 60.978 2.190 0.906 0.671 0.970 0.746 CA 1.571 68 residues pruned to eliminate duplicates Z: 25 43.090 2.230 1.032 0.922 1.000 0.458 CB 1.365 26 residues pruned to eliminate duplicates Z: 15 21.127 1.975 0.652 0.913 0.929 0.643 CB 1.319 15 residues pruned to eliminate duplicates Z: 10 8.462 1.663 0.201 0.891 0.889 0.778 CB 1.142 Z: 9 14.942 1.622 1.038 0.888 1.000 0.625 CA 1.151 9 residues pruned to eliminate duplicates Z: 26 30.914 2.055 0.648 0.932 0.960 0.800 CB 1.327 27 residues pruned to eliminate duplicates Z: 17 48.810 2.298 1.121 0.935 1.000 0.938 CB 1.746 17 residues pruned to eliminate duplicates Z: 14 16.208 1.967 0.600 0.870 0.769 0.615 CB 1.355 14 residues pruned to eliminate duplicates Z: 14 23.423 1.980 0.704 0.837 0.923 0.692 CA 1.560 15 residues pruned to eliminate duplicates Z: 14 5.889 1.602 0.782 0.233 0.692 0.231 CB 1.127 Z: 16 14.131 1.709 0.629 0.866 0.933 0.600 CB 1.028 16 residues pruned to eliminate duplicates Z: 15 31.560 2.167 1.027 0.814 1.000 0.786 CB 1.462 15 residues pruned to eliminate duplicates Z: 21 33.603 2.114 0.726 0.919 0.950 0.800 CB 1.528 21 residues pruned to eliminate duplicates Z: 15 26.126 1.980 1.141 0.881 0.929 0.643 CA 1.284 15 residues pruned to eliminate duplicates Z: 15 16.669 1.827 0.557 0.880 0.929 0.786 CB 1.222 15 residues pruned to eliminate duplicates Z: 16 15.853 1.802 0.390 0.835 1.000 0.800 CA 1.224 16 residues pruned to eliminate duplicates Z: 9 12.446 2.014 0.375 0.921 1.000 1.000 CB 1.118 9 residues pruned to eliminate duplicates Z: 9 10.346 1.656 0.340 0.900 1.000 0.875 CB 1.177 10 residues pruned to eliminate duplicates Z: 64 37.392 1.928 0.636 0.697 0.968 0.730 CB 1.289 56 residues pruned to eliminate duplicates Z: 27 29.754 2.013 0.788 0.916 0.885 0.577 CB 1.295 27 residues pruned to eliminate duplicates Z: 9 10.520 1.686 0.377 0.906 1.000 0.750 CB 1.139 9 residues pruned to eliminate duplicates Z: 25 35.232 2.243 0.625 0.931 0.958 0.833 CB 1.438 25 residues pruned to eliminate duplicates Z: 12 9.056 1.857 0.324 0.282 1.000 0.818 CB 1.421 6 residues pruned to eliminate duplicates Z: 11 18.459 1.878 0.648 0.899 1.000 0.700 CB 1.348 11 residues pruned to eliminate duplicates Z: 17 15.469 1.693 0.683 0.877 0.938 0.875 CB 1.051 23 residues pruned to eliminate duplicates Z: 11 23.259 2.022 0.922 0.914 1.000 0.900 CA 1.339 11 residues pruned to eliminate duplicates Z: 6 3.894 1.501 0.326 0.443 1.000 0.600 CA 0.928 Z: 16 14.744 1.747 0.656 0.841 0.933 0.533 CB 1.051 16 residues pruned to eliminate duplicates Z: 10 8.276 1.608 0.442 0.805 0.889 0.778 CB 1.025 9 residues pruned to eliminate duplicates Z: 13 30.414 2.269 0.728 0.888 0.917 0.833 CA 1.760 13 residues pruned to eliminate duplicates Z: 23 52.636 2.307 1.254 0.918 0.955 0.409 CB 1.594 23 residues pruned to eliminate duplicates Z: 19 43.969 2.240 1.225 0.936 1.000 0.944 CA 1.448 19 residues pruned to eliminate duplicates Z: 25 33.323 2.228 0.489 0.913 1.000 0.750 CB 1.450 25 residues pruned to eliminate duplicates Z: 26 20.888 2.005 0.141 0.899 1.000 0.800 CA 1.306 26 residues pruned to eliminate duplicates Z: 31 28.593 2.038 0.681 0.771 0.933 0.500 CB 1.285 25 residues pruned to eliminate duplicates Z: 14 35.041 2.248 1.094 0.914 1.000 0.615 CA 1.461 14 residues pruned to eliminate duplicates Z: 13 12.351 1.855 0.668 0.714 0.917 0.667 CA 1.036 13 residues pruned to eliminate duplicates Z: 12 20.391 1.959 0.818 0.849 0.909 0.727 CB 1.407 11 residues pruned to eliminate duplicates Z: 14 34.320 2.226 1.009 0.908 1.000 0.692 CA 1.512 14 residues pruned to eliminate duplicates Z: 16 12.201 1.712 0.216 0.860 1.000 0.933 CB 1.112 16 residues pruned to eliminate duplicates Z: 67 65.768 2.208 0.906 0.729 1.000 0.742 CA 1.565 71 residues pruned to eliminate duplicates Z: 25 29.536 2.080 0.642 0.922 0.958 0.792 CB 1.295 25 residues pruned to eliminate duplicates Z: 14 7.043 1.568 0.319 0.640 0.846 0.692 CB 0.979 Z: 6 9.492 1.812 0.922 0.674 0.800 0.800 CB 1.298 Z: 26 25.147 2.023 0.288 0.901 1.000 0.720 CB 1.377 26 residues pruned to eliminate duplicates Z: 39 17.939 1.726 0.490 0.560 0.921 0.553 CB 1.158 28 residues pruned to eliminate duplicates Z: 16 14.943 1.999 0.758 0.436 0.867 0.600 CA 1.354 24 residues pruned to eliminate duplicates Z: 11 11.561 1.864 0.135 0.907 0.900 0.600 CA 1.364 11 residues pruned to eliminate duplicates Z: 13 7.553 1.551 0.384 0.795 0.917 0.750 CB 0.856 8 residues pruned to eliminate duplicates Z: 18 9.576 1.726 0.400 0.664 0.824 0.588 CB 1.003 18 residues pruned to eliminate duplicates Z: 12 17.076 1.879 0.575 0.874 1.000 0.909 CA 1.266 12 residues pruned to eliminate duplicates Z: 7 3.049 1.676 0.150 0.251 0.833 0.333 CB 1.033 Z: 16 16.281 1.776 0.609 0.893 0.933 0.867 CB 1.132 16 residues pruned to eliminate duplicates Z: 25 35.344 2.233 0.747 0.886 0.958 0.625 CB 1.392 25 residues pruned to eliminate duplicates Z: 10 11.357 1.592 0.625 0.791 1.000 0.444 CA 1.133 10 residues pruned to eliminate duplicates Z: 37 20.138 1.959 0.132 0.710 0.917 0.750 CB 1.365 37 residues pruned to eliminate duplicates Z: 10 16.593 1.954 0.372 0.924 1.000 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 12 11.910 1.882 0.666 0.525 0.909 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 22 33.562 2.025 1.177 0.898 0.952 0.286 CB 1.248 22 residues pruned to eliminate duplicates Z: 14 24.211 2.040 1.141 0.885 0.846 0.692 CB 1.312 14 residues pruned to eliminate duplicates Z: 14 36.281 2.224 1.417 0.871 0.923 0.615 CA 1.479 14 residues pruned to eliminate duplicates Z: 35 31.863 2.048 0.608 0.653 1.000 0.676 CB 1.440 35 residues pruned to eliminate duplicates Z: 15 14.616 1.917 0.378 0.593 0.929 0.786 CB 1.456 15 residues pruned to eliminate duplicates Z: 34 29.974 2.036 0.903 0.681 0.909 0.636 CB 1.254 34 residues pruned to eliminate duplicates Z: 12 10.308 1.563 0.290 0.897 1.000 0.727 CB 1.103 13 residues pruned to eliminate duplicates Z: 9 9.589 1.705 0.258 0.870 1.000 0.625 CB 1.154 10 residues pruned to eliminate duplicates Z: 21 41.797 2.047 1.218 0.911 1.000 0.400 CB 1.459 21 residues pruned to eliminate duplicates Z: 6 9.747 1.952 0.713 0.785 0.800 0.600 CA 1.267 6 residues pruned to eliminate duplicates Z: 13 15.759 1.756 0.731 0.928 1.000 1.000 CB 1.048 13 residues pruned to eliminate duplicates Z: 11 11.680 1.773 0.684 0.779 0.800 0.300 CA 1.209 11 residues pruned to eliminate duplicates Z: 14 28.341 2.050 1.024 0.896 1.000 0.615 CB 1.357 14 residues pruned to eliminate duplicates Z: 17 13.861 1.920 0.034 0.907 1.000 0.938 CA 1.241 17 residues pruned to eliminate duplicates Z: 9 10.177 1.819 0.451 0.843 1.000 0.625 CA 1.015 9 residues pruned to eliminate duplicates Z: 32 22.009 1.938 0.304 0.798 0.935 0.742 CB 1.288 28 residues pruned to eliminate duplicates Z: 16 14.821 1.768 0.297 0.854 1.000 0.933 CA 1.233 16 residues pruned to eliminate duplicates Z: 9 5.537 1.679 0.562 0.506 1.000 0.500 CB 0.742 9 residues pruned to eliminate duplicates Z: 12 11.202 1.582 0.450 0.888 1.000 0.727 CB 1.061 12 residues pruned to eliminate duplicates Z: 15 16.866 1.829 0.453 0.860 1.000 0.857 CB 1.247 15 residues pruned to eliminate duplicates Z: 16 14.560 1.718 0.508 0.877 1.000 0.867 CB 1.054 16 residues pruned to eliminate duplicates Z: 14 30.529 2.210 1.158 0.889 0.923 0.692 CA 1.385 14 residues pruned to eliminate duplicates Z: 10 9.358 1.642 0.236 0.839 1.000 0.778 CB 1.149 9 residues pruned to eliminate duplicates 6 1.849 1.566 0.510 0.243 0.800 0.600 CB 0.588 ? Z: 13 30.746 2.244 1.181 0.887 0.917 0.583 CA 1.426 13 residues pruned to eliminate duplicates Z: 11 7.353 1.593 0.289 0.883 0.900 0.900 CB 0.910 11 residues pruned to eliminate duplicates Z: 45 33.520 2.060 0.758 0.610 0.909 0.591 CB 1.384 45 residues pruned to eliminate duplicates Z: 16 15.809 1.725 0.683 0.870 0.933 0.733 CB 1.100 16 residues pruned to eliminate duplicates Z: 15 12.354 1.683 0.813 0.774 0.786 0.643 CB 1.081 15 residues pruned to eliminate duplicates Z: 54 49.504 2.197 0.838 0.670 0.925 0.623 CB 1.556 54 residues pruned to eliminate duplicates Z: 15 18.179 1.833 0.506 0.895 1.000 0.857 CB 1.261 15 residues pruned to eliminate duplicates Z: 14 20.764 1.918 1.072 0.901 0.846 0.462 CB 1.223 14 residues pruned to eliminate duplicates Z: 15 23.474 1.932 1.145 0.867 0.857 0.429 CA 1.292 15 residues pruned to eliminate duplicates Z: 15 19.484 2.141 0.339 0.933 1.000 0.929 CA 1.267 15 residues pruned to eliminate duplicates Z: 17 13.070 1.619 0.475 0.840 0.938 0.562 CB 1.090 17 residues pruned to eliminate duplicates Z: 42 20.784 1.892 0.299 0.647 0.902 0.683 CB 1.275 42 residues pruned to eliminate duplicates Z: 7 9.085 1.723 0.223 0.903 1.000 1.000 CB 1.255 7 residues pruned to eliminate duplicates Z: 66 62.827 2.207 0.917 0.725 0.954 0.723 CB 1.576 66 residues pruned to eliminate duplicates Z: 48 44.970 2.108 0.796 0.751 0.957 0.766 CA 1.446 48 residues pruned to eliminate duplicates Z: 11 17.398 1.876 0.732 0.863 1.000 0.600 CB 1.243 11 residues pruned to eliminate duplicates Z: 14 27.683 2.057 1.201 0.915 0.923 0.769 CB 1.298 14 residues pruned to eliminate duplicates Z: 7 5.035 1.490 0.709 0.432 0.833 0.500 CB 1.040 Z: 29 18.656 2.056 0.326 0.657 0.786 0.679 CA 1.423 29 residues pruned to eliminate duplicates Z: 14 15.587 1.904 0.461 0.889 0.846 0.692 CB 1.322 14 residues pruned to eliminate duplicates Z: 25 26.136 2.034 0.360 0.916 1.000 0.917 CB 1.361 25 residues pruned to eliminate duplicates Z: 71 56.122 2.180 0.843 0.681 0.900 0.557 CA 1.570 71 residues pruned to eliminate duplicates Z: 10 17.138 2.105 0.696 0.831 0.889 0.889 CB 1.352 10 residues pruned to eliminate duplicates Z: 65 46.156 2.034 0.698 0.725 0.969 0.766 CB 1.408 63 residues pruned to eliminate duplicates Z: 24 27.982 2.232 0.341 0.944 1.000 1.000 CA 1.350 24 residues pruned to eliminate duplicates Z: 13 13.300 1.823 0.795 0.651 0.917 0.917 CB 1.112 13 residues pruned to eliminate duplicates Z: 15 44.611 2.332 1.220 0.937 0.929 0.357 CA 1.726 15 residues pruned to eliminate duplicates Z: 24 40.918 2.268 0.745 0.924 1.000 0.826 CA 1.514 24 residues pruned to eliminate duplicates Z: 11 17.657 1.835 0.613 0.871 1.000 0.800 CA 1.376 11 residues pruned to eliminate duplicates Z: 14 29.126 2.167 1.016 0.825 1.000 0.538 CB 1.396 14 residues pruned to eliminate duplicates Z: 11 10.624 1.611 0.409 0.903 1.000 0.700 CB 1.055 11 residues pruned to eliminate duplicates Z: 51 56.092 2.131 0.942 0.769 1.000 0.800 CA 1.511 51 residues pruned to eliminate duplicates Z: 16 8.376 1.516 0.377 0.482 1.000 0.600 CB 1.054 16 residues pruned to eliminate duplicates Z: 13 30.355 2.141 0.919 0.871 0.917 0.250 N 1.697 13 residues pruned to eliminate duplicates Z: 13 18.621 1.910 0.671 0.911 0.917 0.583 CB 1.302 13 residues pruned to eliminate duplicates Z: 24 15.402 1.812 0.403 0.610 0.870 0.565 CA 1.309 26 residues pruned to eliminate duplicates Z: 9 8.135 1.668 0.543 0.474 0.875 0.500 CB 1.312 9 residues pruned to eliminate duplicates Z: 9 3.676 1.554 0.667 0.364 0.750 0.500 CB 0.775 9 residues pruned to eliminate duplicates Z: 12 15.354 1.820 0.961 0.770 1.000 0.818 CB 1.021 12 residues pruned to eliminate duplicates Z: 15 9.750 1.912 0.481 0.386 0.786 0.571 CA 1.321 15 residues pruned to eliminate duplicates Z: 35 29.793 2.101 0.369 0.752 1.000 0.794 CB 1.420 35 residues pruned to eliminate duplicates Z: 26 30.164 2.188 0.480 0.888 0.920 0.840 CB 1.459 26 residues pruned to eliminate duplicates Z: 6 3.146 1.690 0.674 0.321 0.600 0.400 CB 1.009 Z: 26 42.522 2.174 0.914 0.914 1.000 0.600 CB 1.446 26 residues pruned to eliminate duplicates Z: 7 3.744 1.411 0.411 0.681 0.667 0.500 CA 0.975 Z: 16 12.784 1.727 0.294 0.893 1.000 0.933 CB 1.060 16 residues pruned to eliminate duplicates Z: 15 16.367 1.784 0.582 0.862 0.929 0.929 CB 1.226 15 residues pruned to eliminate duplicates Z: 6 2.132 1.292 0.354 0.175 0.800 0.200 CA 1.009 6 1.866 1.583 -0.242 0.656 0.800 0.800 CB 0.752 ? Z: 37 22.311 1.978 0.147 0.733 0.972 0.833 CB 1.368 37 residues pruned to eliminate duplicates Z: 10 20.030 2.080 0.855 0.906 1.000 0.889 CB 1.231 10 residues pruned to eliminate duplicates Z: 10 3.418 1.544 0.021 0.329 0.778 0.556 CA 1.121 10 residues pruned to eliminate duplicates Z: 17 16.735 1.677 0.600 0.883 1.000 0.812 CB 1.127 17 residues pruned to eliminate duplicates Z: 9 8.663 1.736 0.739 0.779 0.875 0.750 CA 0.907 9 residues pruned to eliminate duplicates Z: 6 7.175 1.633 0.433 0.783 1.000 0.400 CB 1.069 6 residues pruned to eliminate duplicates Z: 11 9.465 2.018 0.172 0.502 0.900 0.600 CB 1.404 11 residues pruned to eliminate duplicates Z: 70 39.386 1.966 0.853 0.638 0.870 0.681 CB 1.315 70 residues pruned to eliminate duplicates Z: 9 9.168 1.834 0.232 0.735 1.000 0.875 CB 1.162 9 residues pruned to eliminate duplicates Z: 24 28.863 2.045 0.686 0.880 0.957 0.696 CB 1.323 24 residues pruned to eliminate duplicates Z: 29 35.614 2.136 0.816 0.633 1.000 0.679 CA 1.530 29 residues pruned to eliminate duplicates Z: 8 5.373 1.819 0.397 0.416 0.714 0.571 CB 1.222 8 residues pruned to eliminate duplicates Z: 15 23.527 2.015 1.018 0.847 0.857 0.643 CA 1.339 15 residues pruned to eliminate duplicates Z: 71 60.930 2.211 0.889 0.670 0.971 0.700 CB 1.534 71 residues pruned to eliminate duplicates Z: 7 2.261 1.353 0.694 0.239 0.667 0.333 CA 0.817 Z: 14 24.676 2.025 0.870 0.908 0.923 0.692 CA 1.390 14 residues pruned to eliminate duplicates Z: 33 46.036 2.248 1.097 0.678 0.938 0.469 CB 1.563 33 residues pruned to eliminate duplicates Z: 15 30.143 2.092 1.043 0.885 0.929 0.643 CA 1.465 15 residues pruned to eliminate duplicates Z: 11 11.333 1.601 0.504 0.832 1.000 0.700 CB 1.118 11 residues pruned to eliminate duplicates Z: 48 29.905 1.974 0.791 0.588 0.894 0.638 CB 1.270 48 residues pruned to eliminate duplicates Z: 32 23.004 2.018 0.456 0.518 0.968 0.806 CB 1.427 33 residues pruned to eliminate duplicates Z: 15 23.488 2.133 0.613 0.819 0.929 0.714 CB 1.490 15 residues pruned to eliminate duplicates Z: 9 4.107 1.404 0.250 0.415 0.875 0.375 CB 1.034 Z: 55 59.244 2.203 1.079 0.678 0.981 0.648 CB 1.522 55 residues pruned to eliminate duplicates Z: 62 45.161 1.995 0.653 0.767 0.984 0.787 CB 1.407 65 residues pruned to eliminate duplicates Z: 16 19.094 2.060 0.723 0.500 1.000 0.600 CB 1.389 16 residues pruned to eliminate duplicates Z: 16 42.723 2.254 1.016 0.918 1.000 0.867 CA 1.712 21 residues pruned to eliminate duplicates Z: 13 7.384 1.586 0.352 0.596 0.917 0.500 CB 0.989 13 residues pruned to eliminate duplicates 6 1.907 1.258 0.070 0.421 0.800 0.600 N 0.860 ? Z: 13 3.142 1.596 0.233 0.170 0.667 0.333 CB 1.032 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 31 42.984 2.158 0.921 0.823 0.967 0.833 CA 1.480 31 residues pruned to eliminate duplicates Z: 69 60.318 2.182 0.897 0.688 0.985 0.750 CA 1.510 69 residues pruned to eliminate duplicates Z: 66 59.937 2.213 0.865 0.728 0.969 0.800 CA 1.514 66 residues pruned to eliminate duplicates Z: 72 62.677 2.202 0.968 0.681 0.958 0.718 CA 1.518 72 residues pruned to eliminate duplicates Z: 65 63.649 2.244 0.918 0.731 0.953 0.766 CA 1.575 65 residues pruned to eliminate duplicates Z: 71 65.334 2.228 0.956 0.690 0.957 0.729 CA 1.573 71 residues pruned to eliminate duplicates Z: 149 88.810 2.174 0.992 0.702 0.932 0.554 CB 1.503 153 residues pruned to eliminate duplicates Z: 27 36.422 2.085 1.192 0.798 0.885 0.500 CA 1.361 27 residues pruned to eliminate duplicates Z: 72 60.653 2.186 0.904 0.675 0.944 0.732 CA 1.560 72 residues pruned to eliminate duplicates Z: 71 63.880 2.232 0.902 0.695 0.957 0.729 CA 1.573 71 residues pruned to eliminate duplicates Z: 93 71.950 2.223 0.910 0.702 0.946 0.630 CB 1.555 93 residues pruned to eliminate duplicates Z: 74 61.881 2.152 0.947 0.657 0.973 0.658 CA 1.536 74 residues pruned to eliminate duplicates Z: 81 60.975 2.153 0.875 0.680 0.950 0.637 CB 1.507 81 residues pruned to eliminate duplicates Z: 65 69.755 2.250 1.033 0.716 1.000 0.750 CA 1.568 65 residues pruned to eliminate duplicates Z: 14 35.071 2.264 1.331 0.907 0.923 0.769 CA 1.419 14 residues pruned to eliminate duplicates Z: 71 64.071 2.211 0.949 0.669 0.986 0.671 CB 1.541 71 residues pruned to eliminate duplicates Z: 70 65.540 2.229 0.963 0.690 0.957 0.710 CA 1.585 70 residues pruned to eliminate duplicates Z: 75 57.563 2.174 0.865 0.660 0.932 0.689 CB 1.526 75 residues pruned to eliminate duplicates Z: 66 66.462 2.237 0.959 0.719 0.985 0.723 CA 1.568 66 residues pruned to eliminate duplicates Z: 63 64.359 2.206 0.924 0.745 0.984 0.742 CA 1.572 63 residues pruned to eliminate duplicates Z: 74 63.060 2.200 0.988 0.657 0.945 0.671 CA 1.543 70 residues pruned to eliminate duplicates Z: 15 29.514 2.173 1.175 0.902 1.000 0.786 CA 1.191 15 residues pruned to eliminate duplicates Z: 74 61.792 2.212 0.927 0.664 0.959 0.644 CB 1.521 74 residues pruned to eliminate duplicates Z: 67 68.499 2.220 1.094 0.705 0.970 0.667 CB 1.552 71 residues pruned to eliminate duplicates Z: 31 35.993 2.013 0.896 0.773 0.967 0.700 CA 1.398 31 residues pruned to eliminate duplicates Z: 72 58.183 2.183 0.881 0.664 0.930 0.648 CA 1.554 72 residues pruned to eliminate duplicates Z: 66 68.890 2.219 1.006 0.720 1.000 0.692 CB 1.574 65 residues pruned to eliminate duplicates Z: 15 25.665 2.011 0.826 0.895 0.929 0.786 CA 1.442 17 residues pruned to eliminate duplicates Z: 15 20.280 1.970 0.682 0.882 0.929 0.786 CB 1.275 15 residues pruned to eliminate duplicates Z: 73 65.861 2.183 1.044 0.667 0.958 0.653 CB 1.555 73 residues pruned to eliminate duplicates Z: 68 60.528 2.172 0.974 0.699 0.940 0.582 CA 1.529 68 residues pruned to eliminate duplicates Z: 88 72.765 2.228 1.059 0.708 0.931 0.563 CB 1.511 88 residues pruned to eliminate duplicates Z: 59 65.841 2.265 1.082 0.701 0.966 0.569 CB 1.581 59 residues pruned to eliminate duplicates Z: 64 56.628 2.209 1.030 0.665 0.905 0.571 CA 1.510 64 residues pruned to eliminate duplicates Z: 33 48.348 2.189 1.217 0.760 0.938 0.531 CB 1.492 33 residues pruned to eliminate duplicates Z: 48 27.517 2.013 0.761 0.573 0.809 0.447 CB 1.305 48 residues pruned to eliminate duplicates Z: 30 23.204 2.133 0.612 0.533 0.793 0.517 CB 1.529 30 residues pruned to eliminate duplicates Z: 43 30.794 2.071 0.789 0.541 0.929 0.500 CB 1.327 43 residues pruned to eliminate duplicates Z: 44 34.733 2.111 0.788 0.608 0.907 0.605 CB 1.396 44 residues pruned to eliminate duplicates Z: 39 36.389 2.158 0.880 0.617 0.895 0.579 CB 1.457 39 residues pruned to eliminate duplicates Z: 27 29.900 2.212 0.890 0.563 0.885 0.615 CB 1.492 27 residues pruned to eliminate duplicates Z: 38 24.931 2.017 0.724 0.527 0.865 0.568 CB 1.327 38 residues pruned to eliminate duplicates Z: 14 10.282 2.037 0.435 0.348 0.769 0.538 CA 1.496 14 residues pruned to eliminate duplicates Z: 24 19.236 2.138 0.504 0.421 0.870 0.522 CA 1.558 20 residues pruned to eliminate duplicates Z: 6 4.051 1.597 0.225 0.354 0.800 0.400 C 1.355 6 residues pruned to eliminate duplicates Z: 45 32.241 2.063 0.825 0.615 0.909 0.545 CB 1.274 45 residues pruned to eliminate duplicates Z: 48 32.009 2.024 0.755 0.605 0.936 0.574 CB 1.271 48 residues pruned to eliminate duplicates Z: 44 36.255 2.102 0.766 0.645 0.977 0.628 CB 1.332 44 residues pruned to eliminate duplicates Z: 47 31.432 2.064 0.776 0.607 0.870 0.587 CB 1.313 47 residues pruned to eliminate duplicates Z: 42 31.562 2.109 0.778 0.639 0.878 0.585 CB 1.314 42 residues pruned to eliminate duplicates Z: 39 31.235 2.125 0.822 0.600 0.895 0.658 CB 1.329 39 residues pruned to eliminate duplicates Z: 46 33.138 2.069 0.787 0.616 0.867 0.622 CB 1.381 46 residues pruned to eliminate duplicates Z: 43 35.236 2.129 0.773 0.642 0.929 0.667 CB 1.357 43 residues pruned to eliminate duplicates Z: 14 27.907 2.271 1.024 0.889 1.000 0.769 CB 1.212 14 residues pruned to eliminate duplicates Z: 29 27.157 2.177 0.878 0.550 0.821 0.571 CB 1.455 29 residues pruned to eliminate duplicates Z: 46 29.287 2.016 0.820 0.539 0.889 0.511 CB 1.288 46 residues pruned to eliminate duplicates Z: 98 66.572 2.175 0.973 0.641 0.938 0.639 CB 1.472 103 residues pruned to eliminate duplicates Z: 14 29.596 2.262 1.092 0.839 0.923 0.615 CB 1.403 14 residues pruned to eliminate duplicates Z: 46 32.776 2.060 0.856 0.597 0.933 0.689 CB 1.249 46 residues pruned to eliminate duplicates Z: 14 30.717 2.326 1.062 0.849 0.923 0.769 CB 1.426 14 residues pruned to eliminate duplicates Z: 41 30.064 2.103 0.745 0.592 0.900 0.550 CB 1.318 41 residues pruned to eliminate duplicates Z: 45 33.007 2.096 0.675 0.628 0.932 0.614 CB 1.349 45 residues pruned to eliminate duplicates Z: 44 36.044 2.117 0.815 0.638 0.953 0.605 CB 1.318 45 residues pruned to eliminate duplicates Z: 14 14.699 1.758 0.668 0.703 0.923 0.846 CB 1.252 14 residues pruned to eliminate duplicates Z: 46 29.810 2.066 0.721 0.599 0.867 0.600 CB 1.313 46 residues pruned to eliminate duplicates Z: 16 15.821 1.896 0.847 0.695 1.000 0.467 CB 0.976 15 residues pruned to eliminate duplicates Z: 12 16.589 1.881 0.487 0.862 1.000 0.636 CB 1.313 12 residues pruned to eliminate duplicates Z: 12 17.933 1.866 0.610 0.817 1.000 0.182 CB 1.366 12 residues pruned to eliminate duplicates Z: 11 17.063 1.887 0.699 0.858 1.000 0.400 CB 1.239 11 residues pruned to eliminate duplicates Z: 12 12.914 1.842 0.443 0.832 0.909 0.364 CB 1.209 12 residues pruned to eliminate duplicates Z: 16 18.910 1.971 0.762 0.802 1.000 0.533 CB 1.080 16 residues pruned to eliminate duplicates Z: 20 16.601 1.858 0.717 0.655 0.895 0.421 CB 1.155 20 residues pruned to eliminate duplicates Z: 10 18.247 1.952 0.902 0.890 1.000 0.222 CB 1.179 10 residues pruned to eliminate duplicates Z: 23 17.997 1.869 0.752 0.694 0.909 0.500 CB 1.079 23 residues pruned to eliminate duplicates Z: 17 17.118 1.832 0.537 0.759 0.938 0.625 CB 1.288 17 residues pruned to eliminate duplicates Z: 23 19.371 1.895 0.615 0.673 0.955 0.545 CB 1.204 23 residues pruned to eliminate duplicates Z: 24 19.886 1.863 0.676 0.617 0.957 0.478 CB 1.244 24 residues pruned to eliminate duplicates Z: 30 17.599 1.904 0.635 0.536 0.897 0.414 CB 1.131 24 residues pruned to eliminate duplicates Z: 6 5.381 1.874 0.210 0.471 1.000 0.600 CA 1.093 6 residues pruned to eliminate duplicates Z: 72 46.414 2.073 0.671 0.656 0.901 0.690 CB 1.527 72 residues pruned to eliminate duplicates Z: 53 29.470 2.034 0.579 0.563 0.865 0.442 CB 1.384 14 residues pruned to eliminate duplicates Z: 6 3.646 1.529 0.256 0.383 0.800 0.600 N 1.201 6 residues pruned to eliminate duplicates Z: 58 52.080 2.182 0.827 0.688 0.912 0.684 CB 1.596 58 residues pruned to eliminate duplicates Z: 57 50.822 2.174 0.834 0.668 0.929 0.732 CA 1.570 57 residues pruned to eliminate duplicates Z: 46 47.897 2.196 0.837 0.711 0.933 0.778 CA 1.566 46 residues pruned to eliminate duplicates Z: 22 27.200 2.183 0.824 0.572 0.952 0.714 CB 1.459 22 residues pruned to eliminate duplicates Z: 49 49.428 2.172 0.843 0.664 0.938 0.667 CB 1.633 49 residues pruned to eliminate duplicates Z: 38 25.538 2.039 0.850 0.533 0.784 0.649 CB 1.375 38 residues pruned to eliminate duplicates Z: 28 23.552 2.097 0.834 0.534 0.852 0.481 CB 1.338 28 residues pruned to eliminate duplicates Z: 47 51.628 2.196 0.887 0.698 0.957 0.652 CA 1.603 47 residues pruned to eliminate duplicates Z: 46 48.809 2.201 0.864 0.709 0.933 0.733 CA 1.572 46 residues pruned to eliminate duplicates Z: 25 24.012 2.098 0.717 0.567 0.917 0.542 CB 1.390 25 residues pruned to eliminate duplicates Z: 45 52.645 2.241 0.876 0.730 0.955 0.659 CA 1.608 45 residues pruned to eliminate duplicates Z: 31 32.547 2.122 0.826 0.609 0.867 0.600 CB 1.596 31 residues pruned to eliminate duplicates Z: 50 55.222 2.199 1.017 0.706 0.939 0.755 CB 1.571 50 residues pruned to eliminate duplicates Z: 45 47.284 2.257 0.756 0.733 0.932 0.750 CA 1.565 45 residues pruned to eliminate duplicates Z: 29 27.825 2.081 0.791 0.578 0.893 0.643 CB 1.466 29 residues pruned to eliminate duplicates Z: 58 52.724 2.154 0.834 0.687 0.965 0.719 CB 1.543 58 residues pruned to eliminate duplicates Z: 44 53.953 2.283 0.828 0.746 0.977 0.814 CA 1.620 44 residues pruned to eliminate duplicates Z: 24 23.191 2.097 0.942 0.610 0.826 0.478 CB 1.295 24 residues pruned to eliminate duplicates Z: 40 31.108 2.134 0.577 0.587 0.821 0.538 CA 1.660 40 residues pruned to eliminate duplicates Z: 32 40.211 2.230 0.914 0.690 0.871 0.645 CA 1.633 32 residues pruned to eliminate duplicates Z: 45 52.165 2.223 0.904 0.743 0.955 0.545 CA 1.567 45 residues pruned to eliminate duplicates Z: 72 53.544 2.085 0.915 0.680 0.944 0.620 CB 1.429 72 residues pruned to eliminate duplicates Z: 58 49.319 2.141 0.835 0.625 0.930 0.544 CB 1.589 58 residues pruned to eliminate duplicates Z: 45 50.225 2.249 0.859 0.719 0.909 0.636 CB 1.635 45 residues pruned to eliminate duplicates Z: 45 56.275 2.242 0.940 0.736 0.977 0.614 CA 1.615 45 residues pruned to eliminate duplicates Z: 45 57.860 2.252 1.023 0.721 0.955 0.568 CB 1.643 45 residues pruned to eliminate duplicates Z: 47 55.702 2.239 0.929 0.708 0.957 0.587 CB 1.646 47 residues pruned to eliminate duplicates Z: 45 54.252 2.240 1.026 0.736 0.932 0.545 CB 1.565 45 residues pruned to eliminate duplicates Z: 45 51.629 2.232 0.951 0.724 0.909 0.614 CB 1.606 45 residues pruned to eliminate duplicates Z: 21 50.058 2.360 1.052 0.876 0.950 0.450 CB 1.768 21 residues pruned to eliminate duplicates Z: 46 55.564 2.192 1.123 0.736 0.911 0.511 CB 1.580 46 residues pruned to eliminate duplicates Z: 46 59.497 2.230 1.147 0.714 0.933 0.489 CB 1.635 46 residues pruned to eliminate duplicates Z: 45 53.508 2.222 1.061 0.724 0.886 0.523 CB 1.624 45 residues pruned to eliminate duplicates Z: 18 29.571 2.351 0.859 0.866 0.706 0.412 CA 1.702 18 residues pruned to eliminate duplicates Z: 16 47.563 2.360 1.361 0.856 0.867 0.467 CA 1.876 16 residues pruned to eliminate duplicates Z: 13 26.115 2.284 1.179 0.674 0.750 0.083 CB 1.720 13 residues pruned to eliminate duplicates Z: 11 27.096 2.331 1.332 0.721 0.700 0.100 CB 1.844 11 residues pruned to eliminate duplicates Z: 17 28.274 2.139 1.202 0.680 0.812 0.188 CB 1.565 17 residues pruned to eliminate duplicates Z: 41 26.039 2.016 0.356 0.671 0.925 0.675 CB 1.391 41 residues pruned to eliminate duplicates Z: 55 45.826 2.082 0.828 0.643 0.963 0.611 CB 1.488 55 residues pruned to eliminate duplicates Z: 11 6.654 1.545 0.627 0.407 0.800 0.400 N 1.154 11 residues pruned to eliminate duplicates Z: 28 18.889 1.914 0.327 0.673 0.963 0.741 CA 1.268 28 residues pruned to eliminate duplicates Z: 79 54.859 2.166 0.704 0.693 0.923 0.577 CB 1.529 79 residues pruned to eliminate duplicates Z: 30 28.023 2.121 0.392 0.807 0.966 0.759 CB 1.396 30 residues pruned to eliminate duplicates Z: 35 29.905 2.122 0.433 0.736 0.941 0.824 CA 1.450 35 residues pruned to eliminate duplicates Z: 76 58.577 2.141 0.791 0.746 0.920 0.613 CB 1.539 76 residues pruned to eliminate duplicates Z: 55 52.086 2.211 0.708 0.780 0.926 0.630 CB 1.583 55 residues pruned to eliminate duplicates Z: 74 64.178 2.180 0.930 0.743 0.932 0.616 CB 1.542 74 residues pruned to eliminate duplicates Z: 37 35.948 2.122 0.689 0.736 0.944 0.778 CB 1.432 37 residues pruned to eliminate duplicates Z: 37 27.145 2.005 0.434 0.733 0.944 0.750 CB 1.351 37 residues pruned to eliminate duplicates Z: 101 66.517 2.206 0.736 0.704 0.940 0.730 CB 1.535 101 residues pruned to eliminate duplicates Z: 106 65.097 2.168 0.770 0.682 0.924 0.657 CB 1.516 106 residues pruned to eliminate duplicates Z: 30 32.594 2.124 0.765 0.794 0.931 0.724 CB 1.341 30 residues pruned to eliminate duplicates Z: 52 46.605 2.226 0.658 0.757 0.882 0.647 CB 1.594 52 residues pruned to eliminate duplicates Z: 31 31.460 2.124 0.555 0.798 0.967 0.633 CB 1.387 31 residues pruned to eliminate duplicates Z: 36 31.452 2.084 0.604 0.702 0.943 0.571 CB 1.404 36 residues pruned to eliminate duplicates Z: 105 63.218 2.191 0.775 0.676 0.913 0.663 CB 1.484 105 residues pruned to eliminate duplicates Z: 35 34.734 2.151 0.729 0.723 0.912 0.559 CB 1.436 35 residues pruned to eliminate duplicates Z: 35 34.535 2.128 0.722 0.737 0.971 0.588 CB 1.346 35 residues pruned to eliminate duplicates Z: 34 32.169 2.006 0.934 0.726 0.909 0.455 CB 1.295 34 residues pruned to eliminate duplicates Z: 34 34.601 2.147 0.707 0.731 0.939 0.576 CB 1.421 34 residues pruned to eliminate duplicates Z: 29 33.950 2.118 0.930 0.834 0.893 0.464 CB 1.317 29 residues pruned to eliminate duplicates Z: 33 38.434 2.173 0.842 0.749 0.969 0.406 CB 1.404 33 residues pruned to eliminate duplicates Z: 101 71.056 2.192 0.941 0.715 0.930 0.640 CB 1.479 101 residues pruned to eliminate duplicates Z: 35 40.884 2.130 0.910 0.736 0.971 0.618 CB 1.437 35 residues pruned to eliminate duplicates Z: 33 40.582 2.181 0.949 0.750 0.969 0.469 CB 1.395 33 residues pruned to eliminate duplicates Z: 29 34.784 2.118 0.997 0.811 0.893 0.500 CB 1.327 29 residues pruned to eliminate duplicates Z: 36 35.948 2.112 0.936 0.744 0.943 0.429 CB 1.268 36 residues pruned to eliminate duplicates Z: 37 34.875 2.109 0.760 0.721 0.944 0.444 CB 1.359 37 residues pruned to eliminate duplicates Z: 78 60.481 2.175 0.915 0.721 0.909 0.455 CB 1.491 78 residues pruned to eliminate duplicates Z: 35 36.030 2.147 0.884 0.744 0.941 0.529 CB 1.305 35 residues pruned to eliminate duplicates Z: 36 30.085 2.080 0.703 0.723 0.914 0.543 CB 1.284 36 residues pruned to eliminate duplicates Z: 37 34.668 2.062 0.865 0.732 0.917 0.472 CB 1.331 37 residues pruned to eliminate duplicates 6 1.418 1.356 0.591 0.100 0.600 0.400 N 0.817 ? Z: 7 3.026 1.585 0.626 0.083 0.667 0.333 N 1.233 Z: 7 6.129 2.035 0.633 0.356 0.833 0.500 CB 1.056 6 residues pruned to eliminate duplicates Z: 7 6.148 1.644 0.474 0.468 1.000 0.500 CB 1.070 7 residues pruned to eliminate duplicates Z: 46 38.520 2.186 0.976 0.571 0.889 0.444 CB 1.396 46 residues pruned to eliminate duplicates Z: 27 41.031 2.276 0.978 0.626 0.962 0.423 CB 1.651 27 residues pruned to eliminate duplicates Z: 66 68.814 2.227 1.041 0.723 0.985 0.615 CA 1.559 66 residues pruned to eliminate duplicates Z: 62 61.486 2.224 0.871 0.740 0.984 0.705 CB 1.551 62 residues pruned to eliminate duplicates Z: 67 59.951 2.196 0.852 0.716 0.970 0.636 CA 1.539 67 residues pruned to eliminate duplicates Z: 72 60.608 2.208 0.886 0.692 0.944 0.704 CA 1.536 72 residues pruned to eliminate duplicates Z: 67 58.356 2.150 0.890 0.696 0.939 0.652 CB 1.574 67 residues pruned to eliminate duplicates Z: 70 56.158 2.207 0.754 0.692 0.942 0.710 CB 1.555 70 residues pruned to eliminate duplicates Z: 71 61.199 2.221 0.968 0.663 0.929 0.686 CB 1.549 71 residues pruned to eliminate duplicates Z: 27 33.335 2.293 0.942 0.536 0.885 0.500 CB 1.602 27 residues pruned to eliminate duplicates Z: 71 62.072 2.182 0.903 0.673 0.971 0.714 CA 1.568 71 residues pruned to eliminate duplicates Z: 66 67.555 2.224 0.944 0.734 0.985 0.723 CB 1.596 66 residues pruned to eliminate duplicates Z: 66 60.914 2.201 0.885 0.715 0.969 0.615 CA 1.547 66 residues pruned to eliminate duplicates Z: 68 65.345 2.218 0.936 0.689 0.970 0.746 CB 1.612 68 residues pruned to eliminate duplicates Z: 71 58.076 2.144 0.847 0.687 0.943 0.671 CA 1.566 71 residues pruned to eliminate duplicates Z: 67 61.612 2.189 0.976 0.703 0.955 0.712 CA 1.526 67 residues pruned to eliminate duplicates Z: 23 45.380 2.285 1.161 0.672 0.955 0.500 CA 1.752 23 residues pruned to eliminate duplicates Z: 64 66.502 2.189 0.964 0.736 1.000 0.714 CA 1.577 64 residues pruned to eliminate duplicates Z: 66 65.978 2.230 0.936 0.706 0.985 0.738 CB 1.596 66 residues pruned to eliminate duplicates Z: 82 60.115 2.101 0.861 0.655 0.963 0.691 CA 1.536 82 residues pruned to eliminate duplicates Z: 70 66.408 2.227 0.968 0.691 0.957 0.739 CB 1.601 70 residues pruned to eliminate duplicates Z: 43 44.815 2.125 0.958 0.716 0.952 0.524 CB 1.435 43 residues pruned to eliminate duplicates Z: 7 5.278 1.739 0.891 0.207 0.833 0.333 CA 1.111 6 residues pruned to eliminate duplicates Z: 11 11.853 1.810 0.430 0.774 0.900 0.600 CB 1.262 11 residues pruned to eliminate duplicates Z: 12 12.077 1.756 0.541 0.736 0.909 0.727 CB 1.198 12 residues pruned to eliminate duplicates Z: 13 9.702 1.715 0.557 0.670 0.750 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 13 12.686 1.683 0.615 0.709 0.833 0.500 CB 1.338 13 residues pruned to eliminate duplicates Z: 11 11.699 1.797 0.393 0.727 0.900 0.600 CB 1.338 11 residues pruned to eliminate duplicates Z: 10 21.012 1.941 0.702 0.918 1.000 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 14 12.138 1.654 0.514 0.679 0.923 0.615 CB 1.235 14 residues pruned to eliminate duplicates Z: 12 11.537 1.700 0.500 0.745 0.909 0.455 CB 1.205 12 residues pruned to eliminate duplicates Z: 11 12.561 1.701 0.805 0.733 0.800 0.500 CB 1.312 11 residues pruned to eliminate duplicates Z: 13 11.068 1.672 0.592 0.611 0.833 0.500 CB 1.297 13 residues pruned to eliminate duplicates Z: 10 13.436 1.803 0.513 0.694 1.000 0.778 CB 1.374 10 residues pruned to eliminate duplicates Z: 20 19.848 1.875 0.690 0.635 0.947 0.526 CB 1.337 14 residues pruned to eliminate duplicates Z: 15 22.607 2.025 0.580 0.794 1.000 0.857 CB 1.459 18 residues pruned to eliminate duplicates Z: 16 18.728 1.930 0.493 0.789 0.933 0.733 CB 1.395 16 residues pruned to eliminate duplicates Z: 19 17.057 1.897 0.317 0.646 0.889 0.500 CB 1.579 19 residues pruned to eliminate duplicates Z: 20 18.449 1.957 0.430 0.615 0.895 0.526 CB 1.517 17 residues pruned to eliminate duplicates Z: 12 24.902 2.127 0.623 0.899 1.000 0.727 CB 1.554 12 residues pruned to eliminate duplicates Z: 19 21.028 1.952 0.714 0.618 0.889 0.444 CB 1.491 19 residues pruned to eliminate duplicates Z: 15 23.171 1.879 0.852 0.843 0.929 0.571 CB 1.427 15 residues pruned to eliminate duplicates Z: 44 31.073 1.980 0.590 0.627 0.907 0.698 CB 1.473 41 residues pruned to eliminate duplicates Z: 13 28.674 1.927 1.054 0.920 1.000 0.583 CB 1.473 19 residues pruned to eliminate duplicates Z: 12 26.569 2.098 0.817 0.905 1.000 0.636 CB 1.495 12 residues pruned to eliminate duplicates Z: 23 21.716 1.825 0.855 0.544 0.955 0.364 CB 1.372 23 residues pruned to eliminate duplicates Z: 23 19.460 1.809 0.704 0.556 0.909 0.455 CB 1.402 17 residues pruned to eliminate duplicates Z: 13 26.751 1.994 0.828 0.919 1.000 0.833 CB 1.493 13 residues pruned to eliminate duplicates Z: 19 26.098 1.949 0.942 0.657 0.944 0.389 CB 1.488 19 residues pruned to eliminate duplicates Z: 20 22.667 1.976 0.702 0.619 0.947 0.632 CB 1.458 21 residues pruned to eliminate duplicates Z: 6 5.381 1.503 0.642 0.290 1.000 0.400 CA 1.235 6 residues pruned to eliminate duplicates Z: 23 18.270 1.822 0.682 0.525 0.955 0.273 CB 1.298 23 residues pruned to eliminate duplicates Z: 40 17.503 1.724 0.512 0.586 0.846 0.487 CB 1.169 40 residues pruned to eliminate duplicates Z: 23 17.229 1.851 0.563 0.598 0.864 0.500 CA 1.339 23 residues pruned to eliminate duplicates Z: 6 3.290 1.604 0.334 0.279 0.800 0.400 CA 1.104 6 residues pruned to eliminate duplicates Z: 12 5.888 1.838 0.478 0.296 0.727 0.455 CB 1.128 12 residues pruned to eliminate duplicates Z: 35 15.892 1.765 0.477 0.550 0.912 0.529 CB 1.091 35 residues pruned to eliminate duplicates Z: 34 14.872 1.721 0.383 0.611 0.848 0.485 CB 1.154 34 residues pruned to eliminate duplicates Z: 35 15.279 1.771 0.434 0.579 0.853 0.559 CB 1.121 35 residues pruned to eliminate duplicates Z: 34 15.327 1.785 0.470 0.584 0.848 0.545 CB 1.105 34 residues pruned to eliminate duplicates Z: 18 14.321 1.846 0.534 0.627 0.824 0.529 CB 1.322 18 residues pruned to eliminate duplicates Z: 30 16.115 1.773 0.455 0.629 0.897 0.586 CB 1.146 30 residues pruned to eliminate duplicates Z: 34 16.449 1.788 0.513 0.609 0.848 0.545 CB 1.125 34 residues pruned to eliminate duplicates Z: 35 16.581 1.778 0.489 0.580 0.882 0.471 CB 1.127 35 residues pruned to eliminate duplicates Z: 23 15.816 1.838 0.506 0.601 0.864 0.364 CB 1.282 23 residues pruned to eliminate duplicates Z: 35 18.682 1.755 0.628 0.574 0.912 0.500 CB 1.146 35 residues pruned to eliminate duplicates Z: 22 13.636 1.650 0.755 0.638 0.905 0.476 CB 0.997 22 residues pruned to eliminate duplicates Z: 21 12.580 1.622 0.771 0.662 0.850 0.450 CB 0.991 21 residues pruned to eliminate duplicates Z: 37 17.122 1.727 0.469 0.582 0.917 0.556 CB 1.134 37 residues pruned to eliminate duplicates Z: 35 17.820 1.766 0.561 0.610 0.853 0.382 CB 1.171 35 residues pruned to eliminate duplicates Z: 33 12.282 1.683 0.447 0.566 0.812 0.469 CB 1.029 33 residues pruned to eliminate duplicates Z: 36 13.877 1.751 0.447 0.578 0.771 0.514 CB 1.113 36 residues pruned to eliminate duplicates Z: 16 6.311 1.526 0.427 0.520 0.800 0.467 CB 0.918 16 residues pruned to eliminate duplicates Z: 19 14.299 1.694 0.754 0.683 0.889 0.556 CB 1.079 19 residues pruned to eliminate duplicates Z: 33 13.892 1.748 0.343 0.554 0.844 0.531 CB 1.176 33 residues pruned to eliminate duplicates Z: 22 9.133 1.643 0.244 0.458 1.000 0.571 CB 1.018 22 residues pruned to eliminate duplicates Z: 34 12.770 1.743 0.359 0.536 0.818 0.515 CB 1.107 34 residues pruned to eliminate duplicates Z: 15 8.064 1.534 0.433 0.593 0.929 0.571 CB 0.966 15 residues pruned to eliminate duplicates Z: 22 14.603 1.688 0.703 0.668 0.905 0.714 CB 1.048 22 residues pruned to eliminate duplicates Z: 12 8.006 1.645 0.347 0.653 0.909 0.455 CB 1.039 12 residues pruned to eliminate duplicates Z: 13 8.083 1.594 0.369 0.553 0.917 0.500 CB 1.108 13 residues pruned to eliminate duplicates Z: 15 7.968 1.585 0.297 0.492 1.000 0.500 CB 1.044 15 residues pruned to eliminate duplicates Z: 15 7.435 1.548 0.483 0.471 0.929 0.500 CB 0.960 15 residues pruned to eliminate duplicates Z: 19 11.124 1.606 0.428 0.653 0.944 0.667 CB 1.051 19 residues pruned to eliminate duplicates Z: 26 17.858 1.672 0.773 0.709 0.920 0.560 CB 1.083 26 residues pruned to eliminate duplicates Z: 11 10.404 1.638 0.574 0.798 0.900 0.700 CB 1.093 11 residues pruned to eliminate duplicates Z: 19 9.520 1.575 0.370 0.626 0.889 0.611 CB 1.039 19 residues pruned to eliminate duplicates Z: 43 16.499 1.705 0.486 0.567 0.857 0.405 CB 1.099 43 residues pruned to eliminate duplicates Z: 11 6.813 1.652 0.078 0.508 1.000 0.500 CB 1.201 10 residues pruned to eliminate duplicates Z: 6 5.589 1.532 0.008 0.776 1.000 0.800 CA 1.269 6 residues pruned to eliminate duplicates Z: 23 13.024 1.683 0.428 0.635 0.955 0.545 CB 1.067 23 residues pruned to eliminate duplicates Z: 51 13.685 1.706 0.360 0.433 0.840 0.540 CB 1.064 51 residues pruned to eliminate duplicates Z: 31 11.235 1.657 0.302 0.398 0.900 0.400 CB 1.177 31 residues pruned to eliminate duplicates Z: 18 8.501 1.810 0.323 0.295 0.882 0.529 CB 1.228 18 residues pruned to eliminate duplicates Z: 18 9.276 1.725 0.230 0.352 0.941 0.529 CB 1.321 18 residues pruned to eliminate duplicates Z: 50 18.496 1.758 0.400 0.487 0.918 0.510 CB 1.184 50 residues pruned to eliminate duplicates Z: 32 15.136 1.702 0.469 0.468 0.968 0.645 CB 1.160 31 residues pruned to eliminate duplicates Z: 19 30.775 2.189 0.477 0.929 1.000 0.722 CA 1.570 19 residues pruned to eliminate duplicates Z: 21 42.004 2.218 0.954 0.877 1.000 0.550 CA 1.574 21 residues pruned to eliminate duplicates Z: 24 36.219 2.109 0.906 0.842 0.957 0.609 CB 1.463 24 residues pruned to eliminate duplicates Z: 23 40.693 2.148 0.953 0.877 1.000 0.591 CB 1.502 23 residues pruned to eliminate duplicates Z: 24 38.304 2.086 0.991 0.863 0.957 0.435 CB 1.475 24 residues pruned to eliminate duplicates Z: 24 33.555 2.068 0.857 0.887 0.957 0.522 CB 1.373 24 residues pruned to eliminate duplicates Z: 24 35.594 2.096 1.117 0.830 0.870 0.391 CB 1.446 24 residues pruned to eliminate duplicates Z: 27 29.631 1.945 0.915 0.698 0.923 0.462 CB 1.411 27 residues pruned to eliminate duplicates Z: 15 29.150 2.236 0.934 0.790 0.929 0.786 CA 1.503 15 residues pruned to eliminate duplicates Z: 18 33.286 2.184 1.044 0.830 0.882 0.588 CB 1.541 18 residues pruned to eliminate duplicates Z: 22 45.459 2.177 1.167 0.892 0.952 0.571 CB 1.586 22 residues pruned to eliminate duplicates Z: 23 42.327 2.144 1.117 0.895 0.955 0.409 CB 1.493 23 residues pruned to eliminate duplicates Z: 23 48.576 2.156 1.286 0.898 1.000 0.364 CB 1.504 21 residues pruned to eliminate duplicates Z: 21 34.305 2.080 1.241 0.927 0.800 0.550 CB 1.441 21 residues pruned to eliminate duplicates Z: 25 39.392 2.025 1.200 0.817 0.958 0.333 CB 1.430 25 residues pruned to eliminate duplicates Z: 23 46.480 2.135 1.296 0.889 1.000 0.364 CB 1.455 23 residues pruned to eliminate duplicates Z: 24 37.213 2.048 1.236 0.843 0.957 0.304 CB 1.319 24 residues pruned to eliminate duplicates Z: 22 36.021 2.085 1.093 0.845 0.952 0.476 CA 1.406 22 residues pruned to eliminate duplicates Z: 21 36.735 2.138 1.116 0.850 0.900 0.350 CA 1.494 21 residues pruned to eliminate duplicates Z: 21 39.252 2.111 1.068 0.852 1.000 0.300 CA 1.488 21 residues pruned to eliminate duplicates Z: 31 20.025 1.909 0.224 0.784 0.967 0.733 CB 1.261 31 residues pruned to eliminate duplicates Z: 34 18.705 1.886 0.227 0.689 1.000 0.606 CB 1.184 33 residues pruned to eliminate duplicates Z: 30 21.852 1.885 0.344 0.788 0.966 0.793 CB 1.289 30 residues pruned to eliminate duplicates Z: 31 25.613 1.956 0.427 0.820 0.967 0.800 CB 1.313 31 residues pruned to eliminate duplicates Z: 40 22.222 1.926 0.262 0.678 0.949 0.744 CB 1.311 40 residues pruned to eliminate duplicates Z: 39 19.426 1.890 0.195 0.713 0.947 0.789 CB 1.213 39 residues pruned to eliminate duplicates Z: 31 23.919 2.040 0.230 0.766 0.967 0.767 CB 1.423 31 residues pruned to eliminate duplicates Z: 93 50.041 2.037 0.665 0.700 0.946 0.674 CB 1.355 86 residues pruned to eliminate duplicates Z: 27 22.326 1.946 0.221 0.849 1.000 0.808 CB 1.366 27 residues pruned to eliminate duplicates Z: 24 17.207 1.937 0.056 0.801 1.000 0.783 CB 1.348 24 residues pruned to eliminate duplicates Z: 31 21.652 1.923 0.155 0.819 1.000 0.800 CA 1.350 31 residues pruned to eliminate duplicates Z: 38 19.901 1.929 0.054 0.716 1.000 0.838 CB 1.322 38 residues pruned to eliminate duplicates Z: 32 23.382 2.036 0.284 0.736 0.935 0.677 CB 1.389 32 residues pruned to eliminate duplicates Z: 35 20.219 1.932 0.087 0.781 0.971 0.824 CB 1.328 35 residues pruned to eliminate duplicates Z: 66 35.996 1.954 0.612 0.635 0.938 0.692 CB 1.331 66 residues pruned to eliminate duplicates Z: 25 24.019 2.060 0.214 0.907 0.958 0.708 CA 1.454 25 residues pruned to eliminate duplicates Z: 32 27.922 2.060 0.434 0.751 0.968 0.742 CB 1.403 32 residues pruned to eliminate duplicates Z: 39 24.814 1.913 0.342 0.736 0.974 0.816 CB 1.303 38 residues pruned to eliminate duplicates Z: 27 26.850 2.015 0.425 0.894 0.962 0.808 CB 1.369 27 residues pruned to eliminate duplicates Z: 36 22.789 1.961 0.329 0.734 0.943 0.629 CB 1.271 36 residues pruned to eliminate duplicates Z: 25 31.136 2.079 0.634 0.897 1.000 0.750 CB 1.338 25 residues pruned to eliminate duplicates Z: 32 26.396 1.988 0.452 0.778 0.968 0.742 CB 1.327 32 residues pruned to eliminate duplicates Z: 30 28.006 1.973 0.494 0.860 0.966 0.690 CB 1.344 30 residues pruned to eliminate duplicates Z: 37 24.643 1.946 0.465 0.731 0.944 0.694 CB 1.239 37 residues pruned to eliminate duplicates Z: 31 27.820 2.051 0.519 0.764 0.933 0.700 CB 1.382 38 residues pruned to eliminate duplicates Z: 26 31.608 2.072 0.633 0.917 1.000 0.560 CB 1.319 25 residues pruned to eliminate duplicates Z: 27 35.028 2.002 0.798 0.910 1.000 0.538 CB 1.354 27 residues pruned to eliminate duplicates Z: 26 30.399 2.056 0.730 0.906 0.960 0.520 CB 1.265 26 residues pruned to eliminate duplicates Z: 32 31.579 2.055 0.746 0.755 0.935 0.516 CB 1.347 32 residues pruned to eliminate duplicates Z: 107 48.452 1.965 0.759 0.651 0.925 0.632 CB 1.280 107 residues pruned to eliminate duplicates Z: 32 26.698 2.023 0.719 0.757 0.903 0.484 CB 1.215 32 residues pruned to eliminate duplicates Z: 6 3.310 1.819 -0.120 0.292 1.000 0.800 CA 1.167 6 residues pruned to eliminate duplicates Z: 37 28.966 1.961 0.637 0.746 0.944 0.528 CB 1.277 33 residues pruned to eliminate duplicates Z: 6 3.751 1.600 0.437 0.246 0.800 0.200 CA 1.223 6 residues pruned to eliminate duplicates Z: 62 41.069 1.994 0.721 0.686 0.951 0.721 CB 1.359 62 residues pruned to eliminate duplicates Z: 66 47.687 2.010 0.899 0.717 0.969 0.646 CB 1.314 63 residues pruned to eliminate duplicates Z: 6 2.374 1.313 0.409 0.288 1.000 0.600 CA 0.729 6 residues pruned to eliminate duplicates Z: 27 30.332 2.063 1.079 0.574 0.885 0.500 CB 1.460 27 residues pruned to eliminate duplicates Z: 26 33.984 2.134 0.998 0.601 0.920 0.520 CB 1.574 26 residues pruned to eliminate duplicates Z: 67 41.310 1.968 0.813 0.655 0.924 0.697 CB 1.335 67 residues pruned to eliminate duplicates Z: 24 28.844 2.125 0.882 0.639 0.870 0.565 CB 1.519 24 residues pruned to eliminate duplicates Z: 28 28.094 2.043 0.920 0.603 0.852 0.593 CB 1.467 28 residues pruned to eliminate duplicates Z: 59 50.164 2.033 0.909 0.743 0.966 0.793 CB 1.414 60 residues pruned to eliminate duplicates Z: 17 40.987 2.266 1.100 0.888 0.938 0.750 CB 1.655 17 residues pruned to eliminate duplicates Z: 28 25.022 2.002 0.984 0.522 0.852 0.519 CB 1.392 28 residues pruned to eliminate duplicates Z: 33 24.339 2.016 0.869 0.520 0.812 0.594 CB 1.379 33 residues pruned to eliminate duplicates Z: 26 34.669 2.133 0.974 0.626 0.960 0.680 CB 1.524 26 residues pruned to eliminate duplicates Z: 73 47.240 2.000 0.850 0.653 0.944 0.722 CB 1.382 65 residues pruned to eliminate duplicates Z: 17 39.577 2.255 0.882 0.900 1.000 0.688 CB 1.666 17 residues pruned to eliminate duplicates Z: 26 32.104 2.083 0.955 0.627 0.960 0.680 CB 1.457 26 residues pruned to eliminate duplicates Z: 65 51.123 2.028 0.858 0.732 0.984 0.734 CB 1.399 65 residues pruned to eliminate duplicates Z: 73 44.540 1.986 0.833 0.657 0.931 0.667 CB 1.339 73 residues pruned to eliminate duplicates Z: 24 28.816 2.095 1.024 0.630 0.870 0.435 CB 1.442 24 residues pruned to eliminate duplicates Z: 73 43.373 1.990 0.794 0.655 0.958 0.736 CB 1.294 73 residues pruned to eliminate duplicates Z: 67 44.326 1.998 0.733 0.703 0.939 0.818 CB 1.395 67 residues pruned to eliminate duplicates Z: 65 49.548 2.019 0.772 0.737 0.984 0.828 CA 1.422 65 residues pruned to eliminate duplicates Z: 68 48.092 2.017 0.789 0.708 0.970 0.776 CB 1.389 68 residues pruned to eliminate duplicates Z: 62 51.277 2.035 0.870 0.752 0.984 0.820 CB 1.400 62 residues pruned to eliminate duplicates Z: 64 47.139 2.056 0.702 0.719 0.984 0.810 CB 1.415 64 residues pruned to eliminate duplicates Z: 71 46.060 2.022 0.704 0.672 0.971 0.714 CB 1.404 71 residues pruned to eliminate duplicates Z: 71 47.148 2.027 0.751 0.670 0.957 0.800 CB 1.418 71 residues pruned to eliminate duplicates Z: 64 43.731 2.040 0.530 0.732 1.000 0.794 CA 1.433 64 residues pruned to eliminate duplicates Z: 62 49.785 2.037 0.750 0.760 1.000 0.852 CA 1.419 71 residues pruned to eliminate duplicates Z: 12 19.318 1.962 0.956 0.921 1.000 1.000 CA 1.068 12 residues pruned to eliminate duplicates Z: 73 41.732 1.991 0.685 0.665 0.944 0.764 CB 1.332 73 residues pruned to eliminate duplicates Z: 65 43.954 2.029 0.696 0.714 0.953 0.750 CB 1.379 65 residues pruned to eliminate duplicates Z: 71 43.949 2.014 0.686 0.661 0.943 0.714 CB 1.413 64 residues pruned to eliminate duplicates Z: 25 32.161 2.048 0.811 0.831 0.958 0.833 CA 1.388 25 residues pruned to eliminate duplicates Z: 71 44.278 2.023 0.613 0.680 0.971 0.757 CB 1.415 71 residues pruned to eliminate duplicates Z: 15 18.579 1.946 0.871 0.839 0.786 0.500 CA 1.296 15 residues pruned to eliminate duplicates Z: 67 43.822 2.005 0.732 0.694 0.955 0.788 CB 1.362 67 residues pruned to eliminate duplicates Z: 66 45.639 2.033 0.713 0.710 0.969 0.754 CB 1.387 66 residues pruned to eliminate duplicates Z: 64 46.720 2.050 0.688 0.720 0.984 0.857 CB 1.417 64 residues pruned to eliminate duplicates Z: 76 43.140 1.974 0.683 0.617 0.960 0.613 CA 1.398 76 residues pruned to eliminate duplicates Z: 65 48.454 2.038 0.815 0.712 0.969 0.766 CB 1.395 65 residues pruned to eliminate duplicates Z: 71 44.586 2.012 0.772 0.674 0.957 0.743 CB 1.330 71 residues pruned to eliminate duplicates Z: 72 43.002 2.002 0.687 0.667 0.930 0.676 CB 1.393 72 residues pruned to eliminate duplicates Z: 63 53.615 2.073 0.884 0.752 0.984 0.806 CB 1.417 70 residues pruned to eliminate duplicates Z: 15 27.578 1.985 1.193 0.902 0.929 0.571 CA 1.301 15 residues pruned to eliminate duplicates Z: 66 43.984 2.009 0.709 0.704 0.969 0.677 CB 1.363 66 residues pruned to eliminate duplicates Z: 67 44.615 1.970 0.803 0.691 0.955 0.667 CB 1.360 67 residues pruned to eliminate duplicates Z: 65 54.530 2.045 0.910 0.732 0.984 0.797 CB 1.439 65 residues pruned to eliminate duplicates Z: 65 47.579 2.033 0.778 0.713 0.969 0.719 CB 1.400 65 residues pruned to eliminate duplicates Z: 70 45.232 1.984 0.705 0.685 0.986 0.754 CB 1.379 64 residues pruned to eliminate duplicates Z: 16 13.323 1.756 0.546 0.880 0.867 0.800 CB 1.059 16 residues pruned to eliminate duplicates Z: 64 54.417 2.050 0.915 0.732 0.984 0.778 CB 1.441 64 residues pruned to eliminate duplicates Z: 62 51.399 2.060 0.720 0.751 1.000 0.852 CB 1.485 62 residues pruned to eliminate duplicates Z: 72 42.395 1.988 0.722 0.662 0.958 0.718 CB 1.321 72 residues pruned to eliminate duplicates Z: 75 40.801 1.956 0.721 0.648 0.932 0.662 CB 1.316 75 residues pruned to eliminate duplicates Z: 68 47.158 1.993 0.755 0.700 0.955 0.716 CB 1.436 68 residues pruned to eliminate duplicates Z: 69 48.554 2.012 0.847 0.701 0.941 0.721 CB 1.401 67 residues pruned to eliminate duplicates Z: 16 15.256 1.746 0.590 0.885 0.867 0.800 CA 1.182 16 residues pruned to eliminate duplicates Z: 81 46.725 1.949 0.844 0.667 0.963 0.738 CB 1.294 84 residues pruned to eliminate duplicates Z: 17 15.732 1.701 0.624 0.849 1.000 0.750 CB 1.055 17 residues pruned to eliminate duplicates Z: 70 45.965 2.024 0.759 0.670 0.971 0.725 CB 1.368 70 residues pruned to eliminate duplicates Z: 71 45.654 1.988 0.852 0.681 0.943 0.686 CB 1.331 71 residues pruned to eliminate duplicates Z: 71 45.132 1.983 0.745 0.684 0.929 0.729 CB 1.418 71 residues pruned to eliminate duplicates Z: 54 30.997 1.822 0.647 0.705 0.943 0.755 CB 1.248 54 residues pruned to eliminate duplicates Z: 80 44.229 1.962 0.699 0.674 0.949 0.595 CB 1.340 80 residues pruned to eliminate duplicates Z: 104 55.232 2.015 0.760 0.692 0.961 0.583 CB 1.340 104 residues pruned to eliminate duplicates Z: 70 47.079 2.026 0.738 0.677 0.971 0.681 CB 1.407 70 residues pruned to eliminate duplicates Z: 11 5.431 1.577 0.113 0.638 0.900 0.500 CB 0.956 10 residues pruned to eliminate duplicates Z: 7 8.268 1.641 0.184 0.833 1.000 0.833 CB 1.303 7 residues pruned to eliminate duplicates Z: 11 8.295 1.637 0.160 0.785 1.000 0.800 CB 1.075 11 residues pruned to eliminate duplicates Z: 9 11.241 1.701 0.410 0.860 1.000 0.875 CB 1.218 9 residues pruned to eliminate duplicates Z: 9 11.526 1.688 0.407 0.865 1.000 0.625 CB 1.257 10 residues pruned to eliminate duplicates Z: 9 10.564 1.721 0.260 0.869 1.000 0.875 CB 1.258 9 residues pruned to eliminate duplicates Z: 10 7.960 1.648 0.238 0.749 0.889 0.444 CB 1.171 10 residues pruned to eliminate duplicates 412 residues left after pruning, divided into chains as follows: A: 11 B: 190 C: 53 D: 43 E: 115 CC for partial structure against native data = 39.15 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.468, Connect. = 0.739 for dens.mod. cycle 1 = 0.301, Contrast = 0.549, Connect. = 0.767 for dens.mod. cycle 2 = 0.302, Contrast = 0.664, Connect. = 0.797 for dens.mod. cycle 3 = 0.302, Contrast = 0.675, Connect. = 0.798 for dens.mod. cycle 4 = 0.302, Contrast = 0.691, Connect. = 0.800 for dens.mod. cycle 5 = 0.302, Contrast = 0.694, Connect. = 0.801 for dens.mod. cycle 6 = 0.302, Contrast = 0.702, Connect. = 0.803 for dens.mod. cycle 7 = 0.302, Contrast = 0.704, Connect. = 0.803 for dens.mod. cycle 8 = 0.302, Contrast = 0.708, Connect. = 0.804 for dens.mod. cycle 9 = 0.302, Contrast = 0.709, Connect. = 0.805 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 0.738 0.747 0.721 0.713 0.702 0.715 0.751 0.718 0.690 0.611 0.893 0.885 0.894 0.891 0.888 0.904 0.931 0.920 0.893 0.849 N 3896 3925 3902 3940 3958 3934 3869 3786 3944 3740 Estimated mean FOM = 0.711 Pseudo-free CC = 73.35 % Best trace (cycle 2 with CC 42.63%) was saved as ./2fno-1.9-parrot-mrncs/2fno-1.9-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 6.0 - FFTs and peak-searches 22.7 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 1164.2 - Tripeptide search 6512.3 - Chain tracing 0.0 - NCS analysis 20.0 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 22:01:13 Total time: 7726.43 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 129.45 Used memory is bytes: 13120160