null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:05:11 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: ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.ins Phases from ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.phi Native data from ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.hkl Listing output to ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.lst Phases output to ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.phs Poly-Ala trace output to ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 64556 Reflections read from file ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.phi 64556 Reflections read from file ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.hkl 64556 Unique data, highest resolution = 1.510 Angstroms Anisotropic scaling: intensities multiplied by 0.000043h^2 +0.000043k^2 -0.000077l^2 +0.000000kl +0.000000hl +0.000043hk 9 Reflections with d > 1.710 and 0 in range 1.710 > d > 1.510 added Density sharpening factor set to 1.49 Fourier grid = 512 x 512 x 37 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.567 ** -f missing ?? ** = 0.263, Contrast = 0.112, Connect. = 0.669 for dens.mod. cycle 1 = 0.297, Contrast = 0.343, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.571, Connect. = 0.804 for dens.mod. cycle 3 = 0.300, Contrast = 0.664, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 0.704, Connect. = 0.839 for dens.mod. cycle 5 = 0.300, Contrast = 0.724, Connect. = 0.845 for dens.mod. cycle 6 = 0.300, Contrast = 0.734, Connect. = 0.848 for dens.mod. cycle 7 = 0.300, Contrast = 0.741, Connect. = 0.850 for dens.mod. cycle 8 = 0.300, Contrast = 0.746, Connect. = 0.851 for dens.mod. cycle 9 = 0.300, Contrast = 0.750, Connect. = 0.852 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2519 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 554 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 39.612 2.277 1.050 0.922 1.000 0.941 CB 1.448 B: 18 47.310 2.278 0.999 0.915 1.000 0.765 CB 1.781 C: 26 58.859 2.347 1.446 0.934 0.960 0.760 CB 1.489 D: 18 34.215 2.273 0.809 0.924 1.000 0.941 CB 1.417 18 residues pruned to eliminate duplicates E: 18 49.862 2.276 1.136 0.931 1.000 0.882 CB 1.738 18 residues pruned to eliminate duplicates F: 18 35.464 2.272 0.903 0.913 1.000 0.882 CB 1.408 18 residues pruned to eliminate duplicates G: 26 62.334 2.391 1.068 0.926 1.000 0.920 CB 1.768 H: 18 37.335 2.256 0.900 0.919 1.000 0.882 CB 1.488 I: 17 42.983 2.289 1.013 0.929 1.000 0.812 CA 1.632 J: 8 19.037 2.393 0.429 0.919 1.000 1.000 CB 1.482 K: 26 56.437 2.296 1.286 0.934 0.960 0.880 CB 1.562 26 residues pruned to eliminate duplicates L: 19 44.574 2.158 1.080 0.930 1.000 0.778 CA 1.637 M: 18 41.770 2.186 1.146 0.900 1.000 0.588 CB 1.542 8 residues pruned to eliminate duplicates N: 27 48.307 2.291 0.959 0.910 1.000 0.923 CB 1.497 27 residues pruned to eliminate duplicates O: 16 40.680 2.323 0.957 0.939 1.000 1.000 CB 1.606 16 residues pruned to eliminate duplicates P: 26 72.042 2.399 1.369 0.931 1.000 0.840 CB 1.772 26 residues pruned to eliminate duplicates Q: 27 49.000 2.291 0.940 0.932 1.000 0.923 CB 1.510 27 residues pruned to eliminate duplicates R: 18 45.687 2.292 1.030 0.946 1.000 0.941 CB 1.648 18 residues pruned to eliminate duplicates S: 26 65.101 2.392 1.389 0.918 1.000 0.760 CB 1.606 26 residues pruned to eliminate duplicates T: 18 45.086 2.265 1.048 0.954 1.000 1.000 CB 1.621 18 residues pruned to eliminate duplicates U: 17 40.490 2.257 0.807 0.904 1.000 0.812 CA 1.769 17 residues pruned to eliminate duplicates V: 26 59.562 2.346 1.193 0.919 0.960 0.840 CB 1.700 26 residues pruned to eliminate duplicates W: 18 42.069 2.311 1.013 0.946 1.000 0.941 CB 1.517 18 residues pruned to eliminate duplicates X: 26 70.302 2.391 1.398 0.932 1.000 0.880 CB 1.713 26 residues pruned to eliminate duplicates Y: 17 40.612 2.312 1.074 0.926 1.000 1.000 CB 1.484 18 residues pruned to eliminate duplicates Z: 19 37.298 2.203 0.836 0.937 0.944 0.889 CB 1.602 20 residues pruned to eliminate duplicates Z: 18 44.412 2.290 0.928 0.932 1.000 0.882 CB 1.704 18 residues pruned to eliminate duplicates Z: 17 34.648 2.172 0.808 0.906 1.000 0.938 CB 1.569 Z: 18 45.563 2.175 1.124 0.936 1.000 0.882 CB 1.665 18 residues pruned to eliminate duplicates Z: 18 46.555 2.151 1.152 0.886 1.000 0.824 CB 1.760 18 residues pruned to eliminate duplicates Z: 18 44.017 2.374 1.045 0.936 1.000 0.941 CB 1.531 17 residues pruned to eliminate duplicates Z: 27 57.442 2.264 1.065 0.902 1.000 0.923 CB 1.719 27 residues pruned to eliminate duplicates Z: 18 41.019 2.241 1.065 0.908 0.941 0.824 CA 1.623 18 residues pruned to eliminate duplicates Z: 18 39.108 2.274 0.907 0.924 1.000 0.882 CB 1.536 18 residues pruned to eliminate duplicates Z: 16 41.436 2.219 1.100 0.937 0.933 0.800 CB 1.712 16 residues pruned to eliminate duplicates Z: 18 52.080 2.279 1.185 0.920 1.000 0.765 CB 1.786 17 residues pruned to eliminate duplicates Z: 18 45.486 2.271 1.079 0.929 1.000 0.765 CB 1.635 18 residues pruned to eliminate duplicates Z: 14 26.785 2.138 0.660 0.913 1.000 0.923 CB 1.482 Z: 18 50.807 2.259 1.257 0.936 1.000 0.882 CB 1.683 19 residues pruned to eliminate duplicates Z: 16 36.128 2.266 0.723 0.929 1.000 1.000 CB 1.672 Z: 18 43.761 2.257 0.952 0.949 1.000 0.941 CB 1.663 18 residues pruned to eliminate duplicates Z: 27 61.395 2.306 1.422 0.893 0.962 0.731 CB 1.609 27 residues pruned to eliminate duplicates Z: 27 62.724 2.297 1.507 0.887 0.962 0.769 CB 1.601 27 residues pruned to eliminate duplicates Z: 10 25.496 2.238 0.610 0.907 1.000 0.889 CB 1.677 Z: 27 62.733 2.266 1.406 0.916 1.000 0.885 CB 1.593 27 residues pruned to eliminate duplicates Z: 18 30.997 2.279 0.609 0.913 0.941 0.941 CB 1.542 18 residues pruned to eliminate duplicates Z: 15 26.643 2.080 0.681 0.939 1.000 0.786 CB 1.415 14 residues pruned to eliminate duplicates Z: 19 39.102 2.229 1.228 0.941 0.944 0.778 CB 1.364 19 residues pruned to eliminate duplicates Z: 17 45.967 2.296 1.172 0.937 0.938 0.938 CB 1.710 18 residues pruned to eliminate duplicates Z: 17 38.292 2.210 0.812 0.937 1.000 1.000 CB 1.664 17 residues pruned to eliminate duplicates Z: 27 61.986 2.296 1.447 0.896 0.962 0.885 CB 1.612 27 residues pruned to eliminate duplicates Z: 18 43.861 2.275 0.874 0.948 1.000 0.882 CB 1.724 18 residues pruned to eliminate duplicates Z: 20 35.201 2.201 0.815 0.949 0.947 0.842 CB 1.473 20 residues pruned to eliminate duplicates Z: 21 39.783 2.303 0.687 0.824 1.000 0.750 CB 1.729 21 residues pruned to eliminate duplicates Z: 17 28.813 2.150 0.560 0.903 1.000 0.938 CB 1.530 17 residues pruned to eliminate duplicates Z: 19 32.517 2.194 0.804 0.832 0.944 0.833 CA 1.539 19 residues pruned to eliminate duplicates Z: 26 68.754 2.375 1.384 0.953 1.000 0.880 CB 1.672 26 residues pruned to eliminate duplicates Z: 6 7.545 1.951 0.051 0.775 1.000 0.600 CA 1.290 Z: 16 31.039 2.254 0.487 0.927 1.000 1.000 CB 1.676 16 residues pruned to eliminate duplicates Z: 27 52.741 2.288 1.161 0.930 0.962 0.769 CB 1.522 27 residues pruned to eliminate duplicates Z: 11 17.324 2.011 0.493 0.751 0.900 0.400 C 1.621 Z: 27 61.508 2.309 1.251 0.914 0.962 0.885 CB 1.708 27 residues pruned to eliminate duplicates Z: 17 32.635 2.325 0.711 0.897 1.000 0.875 CB 1.468 17 residues pruned to eliminate duplicates Z: 26 59.452 2.336 1.320 0.918 0.960 0.800 CB 1.612 26 residues pruned to eliminate duplicates Z: 7 6.469 1.648 0.135 0.831 0.833 0.833 C 1.272 7 residues pruned to eliminate duplicates Z: 16 43.320 2.352 1.040 0.940 1.000 0.867 CB 1.619 18 residues pruned to eliminate duplicates Z: 27 52.954 2.313 1.158 0.914 0.962 0.769 CB 1.530 27 residues pruned to eliminate duplicates Z: 18 43.155 2.240 1.088 0.942 1.000 0.882 CB 1.552 18 residues pruned to eliminate duplicates Z: 15 29.262 2.096 0.845 0.934 1.000 0.786 CB 1.410 15 residues pruned to eliminate duplicates Z: 8 14.039 2.090 0.853 0.791 0.857 0.714 CB 1.238 9 residues pruned to eliminate duplicates Z: 12 19.647 2.121 0.359 0.879 1.000 0.818 CB 1.491 Z: 18 38.927 2.245 1.039 0.922 1.000 0.882 CB 1.450 18 residues pruned to eliminate duplicates Z: 27 61.419 2.263 1.390 0.926 1.000 0.846 CB 1.562 27 residues pruned to eliminate duplicates Z: 16 33.496 2.337 0.663 0.949 1.000 1.000 CB 1.536 16 residues pruned to eliminate duplicates Z: 26 64.777 2.361 1.253 0.927 1.000 0.800 CB 1.707 26 residues pruned to eliminate duplicates Z: 17 36.069 2.217 0.937 0.917 0.938 0.688 CB 1.581 17 residues pruned to eliminate duplicates Z: 16 35.610 2.267 0.658 0.941 1.000 1.000 CB 1.697 16 residues pruned to eliminate duplicates Z: 18 49.090 2.259 1.116 0.922 1.000 0.882 CA 1.752 18 residues pruned to eliminate duplicates Z: 18 33.764 2.257 0.940 0.907 1.000 0.941 CB 1.329 18 residues pruned to eliminate duplicates Z: 17 34.112 2.292 0.863 0.914 0.938 0.812 CB 1.507 17 residues pruned to eliminate duplicates Z: 18 39.511 2.271 0.811 0.948 1.000 1.000 CB 1.609 18 residues pruned to eliminate duplicates Z: 13 17.269 2.031 0.349 0.893 0.917 0.750 CB 1.425 13 residues pruned to eliminate duplicates Z: 17 40.034 2.310 0.992 0.929 1.000 0.938 CB 1.522 17 residues pruned to eliminate duplicates Z: 6 10.944 1.840 0.474 0.776 1.000 1.000 CA 1.414 Z: 8 10.478 1.821 0.444 0.843 0.714 0.429 N 1.570 Z: 17 41.751 2.200 0.954 0.928 1.000 0.875 CA 1.700 17 residues pruned to eliminate duplicates Z: 18 42.971 2.272 0.951 0.952 1.000 1.000 CB 1.620 18 residues pruned to eliminate duplicates Z: 11 23.589 2.046 0.604 0.869 1.000 0.800 C 1.659 Z: 18 50.591 2.259 1.213 0.922 1.000 0.765 CB 1.726 18 residues pruned to eliminate duplicates Z: 12 23.240 1.965 0.600 0.862 1.000 0.727 CA 1.636 11 residues pruned to eliminate duplicates Z: 19 55.673 2.129 1.405 0.941 1.000 0.889 CB 1.779 18 residues pruned to eliminate duplicates Z: 17 30.920 2.308 0.549 0.944 1.000 0.938 CB 1.496 17 residues pruned to eliminate duplicates Z: 17 38.233 2.274 0.940 0.925 1.000 0.938 CB 1.521 17 residues pruned to eliminate duplicates Z: 21 30.460 1.989 0.928 0.843 0.900 0.800 CB 1.470 21 residues pruned to eliminate duplicates Z: 8 5.738 1.651 0.131 0.774 0.714 0.571 C 1.276 8 residues pruned to eliminate duplicates Z: 11 22.680 2.103 0.478 0.894 1.000 0.800 C 1.655 11 residues pruned to eliminate duplicates Z: 15 33.706 2.249 0.688 0.923 1.000 0.929 CB 1.669 15 residues pruned to eliminate duplicates Z: 16 34.730 2.267 0.733 0.948 1.000 0.867 CB 1.576 16 residues pruned to eliminate duplicates Z: 17 38.121 2.301 0.960 0.920 1.000 0.938 CB 1.488 17 residues pruned to eliminate duplicates Z: 11 24.655 2.129 0.656 0.855 1.000 0.400 C 1.633 11 residues pruned to eliminate duplicates Z: 17 42.363 2.218 1.088 0.942 1.000 0.875 CB 1.586 17 residues pruned to eliminate duplicates Z: 17 47.797 2.330 1.056 0.922 1.000 0.938 CB 1.754 17 residues pruned to eliminate duplicates Z: 18 44.607 2.233 1.044 0.937 1.000 0.941 CB 1.649 18 residues pruned to eliminate duplicates Z: 27 59.716 2.292 1.399 0.909 0.962 0.846 CB 1.571 27 residues pruned to eliminate duplicates Z: 18 33.278 2.248 0.865 0.896 1.000 0.941 CB 1.379 17 residues pruned to eliminate duplicates Z: 10 22.332 2.232 0.409 0.905 1.000 0.889 CB 1.684 10 residues pruned to eliminate duplicates Z: 9 10.908 1.986 0.486 0.692 0.875 0.500 CA 1.253 8 residues pruned to eliminate duplicates Z: 27 58.211 2.318 1.296 0.924 1.000 0.808 CB 1.506 26 residues pruned to eliminate duplicates Z: 15 32.654 2.104 0.974 0.938 1.000 1.000 CB 1.461 15 residues pruned to eliminate duplicates Z: 15 32.487 2.112 0.925 0.933 1.000 0.857 CB 1.490 15 residues pruned to eliminate duplicates Z: 17 35.543 2.202 0.874 0.932 1.000 0.938 CB 1.503 17 residues pruned to eliminate duplicates Z: 10 28.389 2.231 0.767 0.874 1.000 0.778 CB 1.746 11 residues pruned to eliminate duplicates Z: 18 39.714 2.263 1.106 0.888 1.000 0.765 CB 1.457 18 residues pruned to eliminate duplicates Z: 17 41.158 2.211 0.908 0.918 1.000 0.750 CB 1.720 16 residues pruned to eliminate duplicates Z: 26 71.686 2.379 1.418 0.939 1.000 0.920 CB 1.732 26 residues pruned to eliminate duplicates Z: 11 24.937 2.122 0.734 0.862 1.000 0.800 C 1.574 11 residues pruned to eliminate duplicates Z: 17 40.613 2.236 0.864 0.924 1.000 1.000 CB 1.711 17 residues pruned to eliminate duplicates Z: 26 68.488 2.362 1.418 0.929 1.000 0.880 CB 1.679 26 residues pruned to eliminate duplicates Z: 18 47.716 2.277 1.084 0.940 1.000 0.882 CB 1.693 18 residues pruned to eliminate duplicates Z: 16 34.628 2.241 0.860 0.906 1.000 1.000 CB 1.525 16 residues pruned to eliminate duplicates Z: 17 44.457 2.237 1.215 0.950 1.000 0.875 CB 1.547 17 residues pruned to eliminate duplicates Z: 12 26.096 2.198 0.640 0.898 1.000 0.909 CB 1.562 12 residues pruned to eliminate duplicates Z: 18 34.143 2.115 0.821 0.918 0.941 0.882 CB 1.611 18 residues pruned to eliminate duplicates Z: 18 44.779 2.261 1.027 0.939 1.000 0.824 CB 1.647 18 residues pruned to eliminate duplicates Z: 18 41.559 2.234 1.058 0.934 1.000 0.882 CB 1.529 18 residues pruned to eliminate duplicates Z: 16 40.203 2.335 0.911 0.934 1.000 0.867 CB 1.621 16 residues pruned to eliminate duplicates Z: 17 43.722 2.291 1.169 0.868 1.000 0.688 CB 1.608 17 residues pruned to eliminate duplicates Z: 18 33.288 2.244 0.771 0.939 1.000 0.941 CB 1.411 18 residues pruned to eliminate duplicates Z: 26 64.792 2.296 1.439 0.918 1.000 0.880 CB 1.631 26 residues pruned to eliminate duplicates Z: 11 20.980 2.021 0.631 0.872 0.900 0.500 CB 1.631 11 residues pruned to eliminate duplicates Z: 18 34.357 2.249 0.743 0.898 1.000 0.765 CB 1.521 18 residues pruned to eliminate duplicates Z: 18 42.766 2.283 1.209 0.922 1.000 0.824 CB 1.446 18 residues pruned to eliminate duplicates Z: 18 44.776 2.279 1.018 0.910 1.000 0.824 CB 1.675 17 residues pruned to eliminate duplicates Z: 25 53.714 2.343 1.087 0.927 1.000 0.875 CB 1.572 25 residues pruned to eliminate duplicates Z: 18 40.737 2.307 0.858 0.901 1.000 0.824 CA 1.646 18 residues pruned to eliminate duplicates Z: 18 42.384 2.270 0.912 0.912 1.000 0.824 CA 1.678 18 residues pruned to eliminate duplicates Z: 13 15.628 1.938 0.259 0.927 1.000 0.917 CB 1.296 Z: 11 19.989 2.129 0.517 0.843 0.900 0.500 C 1.620 11 residues pruned to eliminate duplicates Z: 18 41.816 2.259 1.090 0.938 1.000 0.941 CB 1.494 17 residues pruned to eliminate duplicates Z: 17 37.466 2.270 0.789 0.910 1.000 0.875 CB 1.636 17 residues pruned to eliminate duplicates Z: 144 104.241 2.280 0.994 0.744 0.972 0.692 CB 1.585 136 residues pruned to eliminate duplicates Z: 17 30.615 2.194 0.580 0.915 1.000 1.000 CB 1.560 17 residues pruned to eliminate duplicates Z: 18 45.882 2.183 1.108 0.941 1.000 0.941 CB 1.679 18 residues pruned to eliminate duplicates Z: 18 52.905 2.237 1.380 0.901 1.000 0.824 CB 1.720 18 residues pruned to eliminate duplicates Z: 17 35.522 2.240 0.801 0.924 1.000 0.875 CB 1.546 17 residues pruned to eliminate duplicates Z: 18 40.930 2.252 1.303 0.918 0.941 0.824 CB 1.434 18 residues pruned to eliminate duplicates Z: 17 37.376 2.244 0.859 0.923 1.000 0.875 CB 1.575 17 residues pruned to eliminate duplicates Z: 17 40.664 2.208 1.093 0.937 0.938 0.875 CA 1.632 18 residues pruned to eliminate duplicates Z: 11 26.404 2.304 0.481 0.882 1.000 0.800 CB 1.770 11 residues pruned to eliminate duplicates Z: 16 46.852 2.291 1.157 0.927 1.000 0.933 CA 1.715 16 residues pruned to eliminate duplicates Z: 11 12.559 1.852 0.386 0.824 0.800 0.800 CB 1.461 11 residues pruned to eliminate duplicates Z: 11 20.578 1.999 0.634 0.904 0.900 0.900 C 1.577 11 residues pruned to eliminate duplicates Z: 17 28.393 2.170 0.560 0.901 1.000 0.875 CB 1.497 17 residues pruned to eliminate duplicates Z: 15 24.393 2.050 0.625 0.936 1.000 0.786 CB 1.363 15 residues pruned to eliminate duplicates Z: 17 45.629 2.259 1.385 0.942 1.000 0.812 CB 1.468 18 residues pruned to eliminate duplicates Z: 17 35.534 2.292 0.829 0.917 1.000 0.875 CB 1.495 17 residues pruned to eliminate duplicates Z: 25 63.822 2.397 1.426 0.950 1.000 0.875 CB 1.545 26 residues pruned to eliminate duplicates Z: 149 103.277 2.268 1.010 0.723 0.953 0.723 CB 1.598 118 residues pruned to eliminate duplicates Z: 15 29.304 2.074 0.835 0.918 1.000 0.714 CB 1.451 15 residues pruned to eliminate duplicates Z: 17 34.904 2.215 0.637 0.930 1.000 1.000 CB 1.683 17 residues pruned to eliminate duplicates Z: 14 19.012 1.929 0.510 0.930 1.000 0.846 CB 1.266 13 residues pruned to eliminate duplicates Z: 8 6.887 1.596 0.344 0.629 0.857 0.714 C 1.254 10 residues pruned to eliminate duplicates Z: 14 18.730 1.922 0.654 0.931 0.923 0.846 CB 1.237 14 residues pruned to eliminate duplicates Z: 12 21.995 2.104 0.496 0.902 1.000 0.727 CB 1.503 12 residues pruned to eliminate duplicates Z: 6 10.043 1.884 0.206 0.781 1.000 1.000 C 1.544 5 residues pruned to eliminate duplicates Z: 11 21.484 2.004 0.677 0.898 0.900 0.800 CA 1.606 11 residues pruned to eliminate duplicates Z: 16 28.006 2.176 0.554 0.928 1.000 0.933 CB 1.497 16 residues pruned to eliminate duplicates Z: 16 42.888 2.290 1.047 0.940 1.000 0.867 CB 1.640 16 residues pruned to eliminate duplicates Z: 18 29.760 2.204 0.632 0.939 1.000 0.941 CB 1.395 18 residues pruned to eliminate duplicates Z: 10 14.231 2.020 0.514 0.648 0.889 0.556 C 1.520 10 residues pruned to eliminate duplicates Z: 18 43.139 2.261 0.939 0.938 1.000 0.882 CB 1.660 18 residues pruned to eliminate duplicates Z: 16 33.034 2.244 0.773 0.918 1.000 1.000 CB 1.511 16 residues pruned to eliminate duplicates Z: 12 25.604 2.204 0.648 0.876 1.000 0.818 CB 1.544 12 residues pruned to eliminate duplicates Z: 12 23.797 2.149 0.677 0.882 0.909 0.636 CB 1.585 12 residues pruned to eliminate duplicates Z: 11 17.735 2.005 0.531 0.825 0.900 0.600 CA 1.533 11 residues pruned to eliminate duplicates Z: 11 19.392 2.022 0.499 0.899 1.000 0.800 CA 1.446 11 residues pruned to eliminate duplicates Z: 18 46.627 2.289 1.030 0.940 1.000 0.882 CB 1.690 18 residues pruned to eliminate duplicates Z: 15 16.822 1.797 0.416 0.919 1.000 0.857 CB 1.245 14 residues pruned to eliminate duplicates Z: 17 35.951 2.222 0.825 0.921 1.000 0.938 CA 1.560 17 residues pruned to eliminate duplicates Z: 17 47.456 2.256 1.230 0.926 1.000 0.688 CB 1.655 17 residues pruned to eliminate duplicates Z: 25 35.848 2.231 0.796 0.666 1.000 0.708 CB 1.566 24 residues pruned to eliminate duplicates Z: 11 20.524 1.988 0.670 0.901 0.900 0.700 CB 1.550 11 residues pruned to eliminate duplicates Z: 12 21.770 1.961 0.562 0.864 1.000 0.636 CA 1.571 12 residues pruned to eliminate duplicates Z: 17 28.465 2.159 0.630 0.883 1.000 0.812 CA 1.462 17 residues pruned to eliminate duplicates Z: 18 32.802 2.202 0.571 0.929 1.000 0.882 CB 1.609 18 residues pruned to eliminate duplicates Z: 11 19.407 2.024 0.289 0.878 1.000 0.800 C 1.708 11 residues pruned to eliminate duplicates Z: 18 36.849 2.255 0.837 0.931 1.000 0.941 CB 1.508 18 residues pruned to eliminate duplicates Z: 17 44.492 2.373 1.017 0.951 1.000 0.875 CB 1.601 17 residues pruned to eliminate duplicates Z: 6 9.136 2.023 0.400 0.736 1.000 0.400 CB 1.167 Z: 13 27.871 2.267 0.759 0.928 1.000 0.833 CB 1.413 13 residues pruned to eliminate duplicates Z: 10 25.997 2.165 0.735 0.895 1.000 0.778 CB 1.653 10 residues pruned to eliminate duplicates Z: 6 6.967 1.952 0.372 0.795 0.600 0.400 CA 1.498 6 residues pruned to eliminate duplicates Z: 7 11.746 2.015 0.325 0.854 1.000 0.833 CB 1.326 7 residues pruned to eliminate duplicates Z: 7 10.984 1.819 0.226 0.791 1.000 0.667 C 1.558 7 residues pruned to eliminate duplicates Z: 11 26.912 1.964 0.936 0.930 1.000 0.600 C 1.565 11 residues pruned to eliminate duplicates Z: 6 11.804 1.971 0.221 0.872 1.000 0.800 CA 1.599 6 residues pruned to eliminate duplicates Z: 16 32.673 2.232 0.707 0.911 1.000 0.867 CA 1.569 16 residues pruned to eliminate duplicates Z: 17 42.542 2.260 0.913 0.932 1.000 0.812 CB 1.718 17 residues pruned to eliminate duplicates Z: 8 9.413 1.632 0.162 0.854 1.000 0.857 CA 1.385 8 residues pruned to eliminate duplicates Z: 27 51.288 2.312 1.068 0.922 0.962 0.846 CB 1.539 27 residues pruned to eliminate duplicates Z: 26 45.113 2.250 0.911 0.901 1.000 0.920 CB 1.498 26 residues pruned to eliminate duplicates Z: 19 50.260 2.206 1.255 0.897 1.000 0.889 CB 1.704 19 residues pruned to eliminate duplicates Z: 30 38.285 2.239 0.650 0.708 0.862 0.759 CB 1.849 28 residues pruned to eliminate duplicates Z: 18 43.270 2.100 1.132 0.917 1.000 0.882 CB 1.654 17 residues pruned to eliminate duplicates Z: 7 5.198 1.541 0.091 0.738 1.000 0.667 C 1.020 7 residues pruned to eliminate duplicates Z: 144 83.656 2.214 0.822 0.665 0.930 0.699 CB 1.600 137 residues pruned to eliminate duplicates Z: 27 51.937 2.258 1.216 0.943 0.962 0.654 CB 1.468 27 residues pruned to eliminate duplicates Z: 18 40.302 2.268 1.102 0.900 1.000 0.941 CB 1.465 18 residues pruned to eliminate duplicates Z: 41 38.550 2.164 0.716 0.619 0.950 0.575 CB 1.544 41 residues pruned to eliminate duplicates Z: 8 9.066 1.910 0.506 0.670 0.714 0.714 CB 1.425 Z: 18 43.630 2.286 0.887 0.924 1.000 0.824 CB 1.722 18 residues pruned to eliminate duplicates Z: 143 105.339 2.284 0.992 0.752 0.986 0.789 CB 1.574 140 residues pruned to eliminate duplicates Z: 12 12.520 2.054 0.215 0.581 0.909 0.545 CB 1.540 12 residues pruned to eliminate duplicates Z: 17 42.631 2.326 0.917 0.940 1.000 1.000 CB 1.659 17 residues pruned to eliminate duplicates Z: 55 52.651 2.165 0.808 0.665 0.963 0.611 CB 1.632 55 residues pruned to eliminate duplicates Z: 29 34.629 2.106 0.872 0.669 0.964 0.750 CB 1.472 29 residues pruned to eliminate duplicates Z: 18 36.480 2.247 0.846 0.925 1.000 0.941 CB 1.497 18 residues pruned to eliminate duplicates Z: 14 21.383 1.916 0.725 0.938 1.000 0.923 CB 1.249 14 residues pruned to eliminate duplicates Z: 31 37.700 2.094 0.897 0.688 0.900 0.567 CB 1.621 31 residues pruned to eliminate duplicates Z: 18 32.431 2.243 0.844 0.915 1.000 0.941 CB 1.344 18 residues pruned to eliminate duplicates Z: 11 13.393 1.958 0.413 0.728 0.800 0.400 CA 1.559 11 residues pruned to eliminate duplicates Z: 27 42.683 2.268 0.842 0.905 0.923 0.885 CB 1.546 27 residues pruned to eliminate duplicates Z: 10 21.473 2.188 0.456 0.899 1.000 0.778 CA 1.607 10 residues pruned to eliminate duplicates Z: 14 35.631 2.120 1.132 0.946 1.000 0.846 CB 1.512 14 residues pruned to eliminate duplicates Z: 18 32.346 2.216 0.824 0.912 1.000 0.824 CB 1.375 18 residues pruned to eliminate duplicates Z: 38 58.482 2.311 1.040 0.790 0.973 0.838 CB 1.625 38 residues pruned to eliminate duplicates Z: 18 39.349 2.248 0.894 0.899 0.941 0.529 CA 1.703 18 residues pruned to eliminate duplicates Z: 15 32.507 2.106 1.016 0.944 1.000 0.857 CB 1.417 15 residues pruned to eliminate duplicates Z: 17 36.679 2.202 0.901 0.930 1.000 1.000 CB 1.533 17 residues pruned to eliminate duplicates Z: 27 54.835 2.245 1.174 0.916 0.962 0.769 CB 1.618 27 residues pruned to eliminate duplicates Z: 11 16.670 1.974 0.446 0.786 1.000 0.500 CA 1.436 11 residues pruned to eliminate duplicates Z: 25 69.898 2.411 1.469 0.939 1.000 0.792 CB 1.666 25 residues pruned to eliminate duplicates Z: 15 28.137 2.061 0.736 0.913 1.000 0.857 CB 1.488 15 residues pruned to eliminate duplicates Z: 15 34.649 2.110 1.097 0.923 1.000 0.786 CB 1.471 15 residues pruned to eliminate duplicates Z: 18 30.760 2.264 0.601 0.925 0.941 0.882 CB 1.535 18 residues pruned to eliminate duplicates Z: 11 14.519 2.086 0.219 0.906 1.000 0.900 CB 1.284 11 residues pruned to eliminate duplicates Z: 16 39.502 2.255 0.887 0.932 1.000 0.867 CB 1.674 16 residues pruned to eliminate duplicates Z: 27 57.442 2.237 1.368 0.928 1.000 0.846 CB 1.489 27 residues pruned to eliminate duplicates Z: 17 33.130 2.290 0.730 0.894 0.938 0.875 CA 1.600 17 residues pruned to eliminate duplicates Z: 27 65.593 2.298 1.335 0.926 1.000 0.885 CB 1.681 27 residues pruned to eliminate duplicates Z: 56 48.847 2.160 0.731 0.642 0.964 0.673 CB 1.600 55 residues pruned to eliminate duplicates Z: 26 49.006 2.351 0.881 0.928 0.960 0.880 CB 1.617 26 residues pruned to eliminate duplicates Z: 10 20.606 2.127 0.452 0.914 1.000 0.889 CB 1.573 10 residues pruned to eliminate duplicates Z: 12 26.783 2.177 0.749 0.882 1.000 0.909 CB 1.534 12 residues pruned to eliminate duplicates Z: 16 32.307 2.211 0.612 0.890 1.000 0.933 CB 1.685 16 residues pruned to eliminate duplicates Z: 18 49.667 2.268 1.133 0.947 1.000 0.882 CB 1.721 18 residues pruned to eliminate duplicates Z: 19 36.501 2.161 0.957 0.900 0.944 0.778 CA 1.539 19 residues pruned to eliminate duplicates Z: 16 43.424 2.311 1.060 0.946 1.000 0.867 CB 1.628 16 residues pruned to eliminate duplicates Z: 11 15.450 1.972 0.403 0.857 1.000 0.700 CB 1.302 11 residues pruned to eliminate duplicates Z: 18 38.490 2.295 0.867 0.871 1.000 0.824 CB 1.589 18 residues pruned to eliminate duplicates Z: 17 30.974 2.154 0.727 0.904 1.000 0.938 CB 1.483 17 residues pruned to eliminate duplicates Z: 16 50.181 2.370 1.312 0.935 1.000 0.933 CB 1.649 16 residues pruned to eliminate duplicates Z: 9 7.655 1.587 0.144 0.815 1.000 1.000 CA 1.135 9 residues pruned to eliminate duplicates Z: 16 35.101 2.225 0.777 0.924 1.000 0.867 CB 1.610 16 residues pruned to eliminate duplicates Z: 26 57.756 2.347 1.341 0.942 1.000 0.760 CB 1.457 26 residues pruned to eliminate duplicates Z: 12 22.341 2.181 0.413 0.903 1.000 0.818 CB 1.559 12 residues pruned to eliminate duplicates Z: 16 45.956 2.243 1.205 0.945 1.000 0.867 CB 1.660 16 residues pruned to eliminate duplicates Z: 12 15.013 1.987 0.334 0.886 1.000 0.727 CB 1.232 12 residues pruned to eliminate duplicates Z: 17 38.350 2.186 1.184 0.916 1.000 0.875 CB 1.418 17 residues pruned to eliminate duplicates Z: 18 30.880 2.249 0.798 0.885 1.000 0.765 CB 1.337 18 residues pruned to eliminate duplicates Z: 16 38.402 2.307 0.830 0.936 1.000 0.933 CB 1.635 16 residues pruned to eliminate duplicates Z: 90 75.839 2.230 0.942 0.723 0.978 0.708 CB 1.553 90 residues pruned to eliminate duplicates Z: 12 21.827 2.113 0.480 0.897 1.000 0.545 CB 1.507 12 residues pruned to eliminate duplicates Z: 7 7.996 1.591 0.757 0.775 1.000 0.667 N 0.916 7 residues pruned to eliminate duplicates Z: 75 64.478 2.198 0.881 0.716 0.959 0.743 CB 1.553 75 residues pruned to eliminate duplicates Z: 29 31.308 2.094 0.726 0.640 0.964 0.786 CB 1.489 29 residues pruned to eliminate duplicates Z: 57 45.597 2.092 0.710 0.693 0.946 0.696 CB 1.508 43 residues pruned to eliminate duplicates Z: 38 64.920 2.311 1.231 0.799 0.973 0.892 CB 1.637 39 residues pruned to eliminate duplicates Z: 17 32.356 2.293 0.657 0.895 0.938 0.938 CA 1.628 17 residues pruned to eliminate duplicates Z: 11 21.264 1.963 0.836 0.831 0.900 0.500 CA 1.558 11 residues pruned to eliminate duplicates Z: 58 54.419 2.197 0.799 0.700 0.965 0.719 CB 1.575 58 residues pruned to eliminate duplicates Z: 16 34.227 2.155 0.955 0.887 1.000 0.600 CB 1.513 16 residues pruned to eliminate duplicates Z: 8 13.091 1.781 0.326 0.873 1.000 0.857 CA 1.526 8 residues pruned to eliminate duplicates Z: 57 44.811 2.106 0.734 0.674 0.929 0.661 CB 1.505 57 residues pruned to eliminate duplicates Z: 13 17.969 1.904 0.646 0.931 0.917 0.833 CB 1.262 13 residues pruned to eliminate duplicates Z: 18 36.458 2.228 0.743 0.941 1.000 1.000 CB 1.580 18 residues pruned to eliminate duplicates Z: 26 46.473 2.305 0.885 0.910 0.960 0.920 CB 1.580 26 residues pruned to eliminate duplicates Z: 6 16.630 1.897 1.021 0.770 1.000 0.800 CA 1.526 6 residues pruned to eliminate duplicates Z: 37 33.439 2.166 0.703 0.581 0.944 0.583 CB 1.480 37 residues pruned to eliminate duplicates Z: 92 67.314 2.200 0.848 0.661 0.934 0.659 CB 1.600 92 residues pruned to eliminate duplicates Z: 15 35.374 2.386 0.711 0.922 1.000 1.000 CB 1.629 15 residues pruned to eliminate duplicates Z: 22 35.062 2.238 0.615 0.819 0.952 0.762 CB 1.686 22 residues pruned to eliminate duplicates Z: 17 36.658 2.321 0.932 0.875 0.875 0.875 CB 1.698 17 residues pruned to eliminate duplicates Z: 15 42.795 2.323 1.461 0.921 1.000 0.714 CB 1.408 15 residues pruned to eliminate duplicates Z: 27 56.774 2.239 1.272 0.924 0.962 0.923 CB 1.598 27 residues pruned to eliminate duplicates Z: 6 9.280 1.902 0.133 0.868 1.000 0.800 CA 1.408 6 residues pruned to eliminate duplicates Z: 16 39.917 2.281 0.887 0.932 1.000 1.000 CB 1.672 16 residues pruned to eliminate duplicates Z: 11 8.585 1.819 0.766 0.292 1.000 0.600 CB 1.068 11 residues pruned to eliminate duplicates Z: 17 36.363 2.282 0.992 0.916 1.000 0.938 CB 1.412 17 residues pruned to eliminate duplicates Z: 10 18.564 1.973 0.634 0.724 1.000 0.556 CA 1.567 10 residues pruned to eliminate duplicates Z: 9 18.979 2.109 0.392 0.923 1.000 0.750 CB 1.607 9 residues pruned to eliminate duplicates Z: 13 18.412 1.907 0.520 0.929 1.000 0.750 CB 1.284 13 residues pruned to eliminate duplicates Z: 27 46.318 2.249 0.918 0.908 1.000 0.769 CB 1.495 27 residues pruned to eliminate duplicates Z: 13 16.726 1.880 0.451 0.886 1.000 0.750 CB 1.277 13 residues pruned to eliminate duplicates Z: 16 39.233 2.219 0.892 0.929 1.000 0.933 CB 1.688 16 residues pruned to eliminate duplicates Z: 8 5.046 1.852 0.546 0.314 0.857 0.429 CA 0.955 8 residues pruned to eliminate duplicates Z: 23 36.606 2.132 0.924 0.864 0.909 0.818 CB 1.535 23 residues pruned to eliminate duplicates Z: 15 25.077 2.052 0.752 0.923 0.929 0.429 CB 1.410 15 residues pruned to eliminate duplicates Z: 28 21.622 1.923 0.512 0.682 1.000 0.704 CB 1.211 28 residues pruned to eliminate duplicates Z: 12 15.267 1.938 0.358 0.900 1.000 0.818 CB 1.249 12 residues pruned to eliminate duplicates Z: 10 11.805 1.683 0.682 0.802 1.000 0.778 CA 1.068 10 residues pruned to eliminate duplicates Z: 17 32.047 2.314 0.682 0.932 1.000 1.000 CB 1.437 17 residues pruned to eliminate duplicates Z: 18 33.925 2.099 1.027 0.894 0.882 0.824 CA 1.572 18 residues pruned to eliminate duplicates Z: 17 44.208 2.269 0.989 0.926 1.000 0.938 CA 1.718 17 residues pruned to eliminate duplicates Z: 82 74.285 2.225 1.121 0.652 0.951 0.605 CB 1.597 82 residues pruned to eliminate duplicates Z: 20 42.269 2.306 0.806 0.830 1.000 0.789 CB 1.751 20 residues pruned to eliminate duplicates Z: 11 16.122 2.009 0.513 0.785 0.800 0.600 CA 1.632 11 residues pruned to eliminate duplicates Z: 17 34.948 2.178 0.697 0.914 1.000 0.875 CA 1.672 17 residues pruned to eliminate duplicates Z: 17 36.927 2.153 0.846 0.928 1.000 0.812 CB 1.626 17 residues pruned to eliminate duplicates Z: 43 58.830 2.240 1.278 0.716 0.929 0.762 CB 1.576 43 residues pruned to eliminate duplicates Z: 11 15.621 2.075 0.347 0.854 1.000 0.900 CB 1.305 11 residues pruned to eliminate duplicates Z: 144 98.319 2.278 0.862 0.738 0.972 0.755 CB 1.611 144 residues pruned to eliminate duplicates Z: 25 22.229 1.900 0.460 0.773 1.000 0.750 CB 1.284 25 residues pruned to eliminate duplicates Z: 15 30.283 2.037 0.967 0.929 1.000 0.714 CB 1.414 15 residues pruned to eliminate duplicates Z: 16 37.370 2.277 0.670 0.926 1.000 1.000 CB 1.780 16 residues pruned to eliminate duplicates Z: 18 46.088 2.290 1.182 0.933 1.000 0.882 CB 1.561 18 residues pruned to eliminate duplicates Z: 142 102.904 2.288 0.965 0.750 0.957 0.773 CB 1.610 142 residues pruned to eliminate duplicates Z: 45 42.638 2.093 0.834 0.645 0.909 0.591 CB 1.608 45 residues pruned to eliminate duplicates Z: 19 34.123 2.188 0.990 0.899 0.944 0.722 CB 1.398 19 residues pruned to eliminate duplicates Z: 129 80.975 2.235 0.889 0.711 0.945 0.766 CB 1.481 129 residues pruned to eliminate duplicates Z: 10 20.597 2.069 0.706 0.730 1.000 0.556 C 1.581 10 residues pruned to eliminate duplicates Z: 17 37.985 2.240 0.933 0.909 1.000 0.812 CB 1.557 17 residues pruned to eliminate duplicates Z: 16 37.528 2.241 0.966 0.929 1.000 0.933 CB 1.539 16 residues pruned to eliminate duplicates Z: 11 21.056 2.114 0.337 0.887 1.000 0.900 C 1.699 11 residues pruned to eliminate duplicates Z: 11 14.731 2.024 0.321 0.815 1.000 0.800 CB 1.325 11 residues pruned to eliminate duplicates Z: 40 56.968 2.256 0.996 0.759 1.000 0.821 CB 1.609 40 residues pruned to eliminate duplicates Z: 11 15.761 2.019 0.237 0.674 1.000 0.700 CB 1.701 11 residues pruned to eliminate duplicates Z: 14 20.972 1.923 0.655 0.931 1.000 0.846 CB 1.277 14 residues pruned to eliminate duplicates Z: 10 22.080 2.141 0.795 0.898 1.000 0.444 CB 1.370 10 residues pruned to eliminate duplicates Z: 17 29.882 2.169 0.663 0.902 1.000 0.938 CA 1.477 17 residues pruned to eliminate duplicates Z: 43 28.432 1.988 0.558 0.607 0.929 0.643 CB 1.378 43 residues pruned to eliminate duplicates Z: 40 53.903 2.213 0.957 0.797 0.974 0.846 CB 1.578 39 residues pruned to eliminate duplicates Z: 139 104.753 2.275 1.068 0.746 0.964 0.783 CB 1.578 139 residues pruned to eliminate duplicates Z: 73 62.448 2.246 0.839 0.667 0.944 0.667 CB 1.616 74 residues pruned to eliminate duplicates Z: 18 35.434 2.203 0.839 0.908 0.941 0.765 CB 1.600 18 residues pruned to eliminate duplicates Z: 9 17.867 2.040 0.532 0.787 1.000 0.500 CA 1.571 9 residues pruned to eliminate duplicates Z: 13 9.691 1.988 0.280 0.402 0.750 0.333 C 1.624 13 residues pruned to eliminate duplicates Z: 17 29.668 2.161 0.719 0.908 1.000 0.938 CA 1.417 17 residues pruned to eliminate duplicates Z: 12 16.801 2.055 0.297 0.879 1.000 0.636 CB 1.378 12 residues pruned to eliminate duplicates Z: 14 16.552 2.210 0.538 0.537 0.769 0.538 CA 1.694 14 residues pruned to eliminate duplicates Z: 27 50.366 2.264 1.420 0.915 0.923 0.731 CB 1.380 27 residues pruned to eliminate duplicates Z: 18 33.453 2.020 0.788 0.930 1.000 0.824 CB 1.571 18 residues pruned to eliminate duplicates Z: 15 20.006 2.082 0.516 0.612 0.929 0.571 CB 1.639 15 residues pruned to eliminate duplicates Z: 14 19.165 1.871 0.473 0.921 1.000 0.923 CB 1.357 14 residues pruned to eliminate duplicates Z: 15 37.316 2.310 1.261 0.925 0.929 0.786 CB 1.443 15 residues pruned to eliminate duplicates Z: 88 78.975 2.255 0.963 0.744 0.989 0.713 CB 1.555 88 residues pruned to eliminate duplicates Z: 16 47.440 2.310 1.269 0.950 1.000 0.933 CB 1.611 16 residues pruned to eliminate duplicates Z: 12 17.463 1.929 0.485 0.905 1.000 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 17 15.183 1.799 0.465 0.522 0.938 0.562 CB 1.503 17 residues pruned to eliminate duplicates Z: 10 20.878 2.177 0.334 0.911 1.000 0.889 CB 1.699 10 residues pruned to eliminate duplicates Z: 10 15.478 1.981 0.530 0.690 0.889 0.667 CA 1.610 10 residues pruned to eliminate duplicates Z: 27 52.312 2.303 1.278 0.930 0.923 0.808 CB 1.481 27 residues pruned to eliminate duplicates Z: 78 73.287 2.250 1.003 0.727 0.961 0.753 CB 1.571 78 residues pruned to eliminate duplicates Z: 16 36.272 2.226 0.964 0.937 1.000 0.800 CB 1.491 16 residues pruned to eliminate duplicates Z: 29 31.528 2.088 0.721 0.673 1.000 0.750 CB 1.414 29 residues pruned to eliminate duplicates Z: 12 16.819 1.949 0.422 0.883 1.000 0.909 CB 1.323 12 residues pruned to eliminate duplicates Z: 16 29.423 2.193 0.834 0.897 1.000 0.867 CB 1.353 16 residues pruned to eliminate duplicates Z: 29 22.396 1.885 0.706 0.620 0.929 0.750 CB 1.265 29 residues pruned to eliminate duplicates Z: 6 7.082 1.772 0.000 0.874 1.000 0.800 CA 1.301 6 residues pruned to eliminate duplicates Z: 26 54.962 2.335 0.925 0.952 1.000 1.000 CB 1.684 26 residues pruned to eliminate duplicates Z: 6 7.270 1.833 0.134 0.877 0.800 0.600 N 1.421 6 residues pruned to eliminate duplicates Z: 6 12.752 2.073 0.489 0.778 1.000 0.600 CB 1.445 6 residues pruned to eliminate duplicates Z: 17 35.882 2.149 0.925 0.916 1.000 0.625 CB 1.531 17 residues pruned to eliminate duplicates Z: 7 4.670 1.518 0.210 0.780 1.000 0.500 CB 0.811 7 residues pruned to eliminate duplicates Z: 8 7.527 1.826 0.772 0.481 0.714 0.714 CB 1.255 8 residues pruned to eliminate duplicates Z: 18 41.586 2.279 1.254 0.945 0.941 0.941 CB 1.443 18 residues pruned to eliminate duplicates Z: 18 38.752 2.236 1.251 0.942 1.000 0.941 CB 1.295 18 residues pruned to eliminate duplicates Z: 19 31.265 2.226 0.676 0.856 0.944 0.833 CB 1.541 19 residues pruned to eliminate duplicates Z: 25 55.607 2.291 1.563 0.765 0.917 0.750 CB 1.667 25 residues pruned to eliminate duplicates Z: 17 31.960 2.209 0.670 0.914 1.000 0.938 CB 1.531 17 residues pruned to eliminate duplicates Z: 49 49.241 2.232 0.666 0.747 0.979 0.833 CB 1.566 49 residues pruned to eliminate duplicates Z: 26 61.485 2.355 1.072 0.935 1.000 0.920 CB 1.756 26 residues pruned to eliminate duplicates Z: 56 59.868 2.271 0.943 0.728 0.982 0.745 CB 1.517 56 residues pruned to eliminate duplicates Z: 18 40.666 2.224 1.032 0.916 1.000 0.824 CB 1.542 18 residues pruned to eliminate duplicates Z: 18 43.848 2.211 1.019 0.944 1.000 0.824 CB 1.649 18 residues pruned to eliminate duplicates Z: 9 10.329 1.983 0.293 0.885 1.000 0.625 CB 1.028 9 residues pruned to eliminate duplicates Z: 67 63.489 2.223 0.842 0.721 0.955 0.636 CB 1.637 67 residues pruned to eliminate duplicates Z: 15 32.142 2.094 0.914 0.929 1.000 0.929 CB 1.499 15 residues pruned to eliminate duplicates Z: 18 35.695 2.260 0.830 0.851 1.000 0.706 CB 1.550 18 residues pruned to eliminate duplicates Z: 17 29.705 2.237 0.637 0.924 1.000 0.938 CB 1.425 17 residues pruned to eliminate duplicates Z: 37 24.596 1.918 0.683 0.570 0.972 0.667 CB 1.221 37 residues pruned to eliminate duplicates Z: 11 19.987 2.127 0.224 0.892 1.000 1.000 CB 1.745 11 residues pruned to eliminate duplicates Z: 112 73.276 2.227 0.773 0.660 0.946 0.703 CB 1.605 112 residues pruned to eliminate duplicates Z: 19 38.670 2.132 1.143 0.921 1.000 0.944 CB 1.404 19 residues pruned to eliminate duplicates Z: 11 19.125 2.035 0.532 0.788 1.000 0.800 CB 1.505 12 residues pruned to eliminate duplicates Z: 15 21.639 1.870 0.779 0.917 0.929 0.929 CB 1.322 15 residues pruned to eliminate duplicates Z: 16 39.207 2.329 0.710 0.937 1.000 1.000 CA 1.769 16 residues pruned to eliminate duplicates Z: 14 21.972 1.922 0.774 0.946 1.000 0.846 CB 1.236 14 residues pruned to eliminate duplicates Z: 18 46.745 2.234 1.399 0.951 1.000 0.941 CB 1.458 18 residues pruned to eliminate duplicates Z: 26 48.487 2.288 1.087 0.918 1.000 0.840 CB 1.431 26 residues pruned to eliminate duplicates Z: 23 55.472 2.235 1.559 0.794 1.000 0.864 CB 1.599 23 residues pruned to eliminate duplicates Z: 26 49.736 2.278 1.014 0.900 1.000 0.880 CB 1.549 26 residues pruned to eliminate duplicates Z: 22 34.074 2.102 0.995 0.650 0.905 0.762 CB 1.705 22 residues pruned to eliminate duplicates Z: 6 11.205 1.865 0.435 0.779 1.000 0.800 C 1.464 6 residues pruned to eliminate duplicates Z: 11 14.783 2.072 0.344 0.879 1.000 0.800 CB 1.218 11 residues pruned to eliminate duplicates Z: 92 69.311 2.185 0.957 0.688 0.956 0.758 CB 1.496 92 residues pruned to eliminate duplicates Z: 11 26.849 2.040 0.891 0.930 1.000 0.600 CB 1.539 11 residues pruned to eliminate duplicates Z: 91 76.414 2.239 0.925 0.729 0.967 0.733 CB 1.573 91 residues pruned to eliminate duplicates Z: 19 43.989 2.213 1.381 0.941 0.944 0.833 CB 1.445 19 residues pruned to eliminate duplicates Z: 122 89.811 2.243 1.029 0.733 0.975 0.769 CB 1.492 122 residues pruned to eliminate duplicates Z: 31 29.573 2.112 0.721 0.602 0.900 0.667 CB 1.498 31 residues pruned to eliminate duplicates Z: 14 19.509 1.904 0.607 0.921 1.000 0.692 CB 1.245 14 residues pruned to eliminate duplicates Z: 12 17.364 1.954 0.595 0.867 0.818 0.727 CA 1.503 12 residues pruned to eliminate duplicates Z: 22 31.873 2.107 1.112 0.619 0.905 0.571 CB 1.543 22 residues pruned to eliminate duplicates Z: 20 13.731 1.783 0.434 0.761 0.947 0.789 CB 1.031 20 residues pruned to eliminate duplicates Z: 28 52.262 2.197 1.405 0.780 0.926 0.667 CB 1.605 28 residues pruned to eliminate duplicates Z: 96 77.349 2.228 0.925 0.739 0.958 0.758 CB 1.560 96 residues pruned to eliminate duplicates Z: 49 44.401 2.133 1.058 0.601 0.896 0.688 CB 1.479 49 residues pruned to eliminate duplicates Z: 11 14.951 2.121 0.283 0.827 1.000 0.600 CB 1.309 11 residues pruned to eliminate duplicates Z: 39 47.523 2.120 1.221 0.699 0.947 0.684 CB 1.441 39 residues pruned to eliminate duplicates Z: 20 40.944 2.159 1.205 0.766 1.000 0.789 CB 1.558 20 residues pruned to eliminate duplicates Z: 81 65.344 2.214 0.821 0.724 0.975 0.663 CB 1.519 81 residues pruned to eliminate duplicates Z: 16 15.953 1.922 0.697 0.462 1.000 0.600 CA 1.312 16 residues pruned to eliminate duplicates Z: 12 17.630 1.945 0.495 0.900 1.000 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 6 6.992 1.797 0.344 0.761 1.000 0.600 CB 1.027 6 residues pruned to eliminate duplicates Z: 8 12.005 1.781 0.268 0.888 1.000 0.571 CA 1.448 8 residues pruned to eliminate duplicates Z: 6 9.072 1.932 0.753 0.746 0.800 0.800 CB 1.202 6 residues pruned to eliminate duplicates Z: 74 54.488 2.204 0.724 0.691 0.932 0.740 CB 1.513 74 residues pruned to eliminate duplicates Z: 79 68.615 2.244 0.915 0.709 0.949 0.744 CB 1.577 79 residues pruned to eliminate duplicates Z: 30 34.958 2.054 0.884 0.655 0.931 0.655 CB 1.561 30 residues pruned to eliminate duplicates Z: 8 3.763 1.416 0.598 0.443 0.714 0.571 N 0.933 8 residues pruned to eliminate duplicates Z: 16 23.112 1.822 0.850 0.903 1.000 0.800 CB 1.262 16 residues pruned to eliminate duplicates Z: 17 23.883 2.121 0.872 0.544 0.938 0.625 CB 1.536 17 residues pruned to eliminate duplicates Z: 90 73.595 2.210 1.045 0.641 0.966 0.596 CB 1.565 90 residues pruned to eliminate duplicates Z: 12 17.178 2.096 0.717 0.665 0.727 0.455 CA 1.699 12 residues pruned to eliminate duplicates Z: 10 8.806 1.989 0.157 0.549 0.889 0.667 CB 1.369 10 residues pruned to eliminate duplicates Z: 73 69.658 2.288 0.850 0.746 0.972 0.750 CB 1.601 73 residues pruned to eliminate duplicates Z: 16 35.347 2.231 1.142 0.816 1.000 0.800 CA 1.451 16 residues pruned to eliminate duplicates Z: 19 31.766 2.100 0.885 0.890 0.944 0.944 CB 1.441 19 residues pruned to eliminate duplicates Z: 15 20.684 2.012 0.481 0.906 1.000 0.929 CB 1.319 15 residues pruned to eliminate duplicates Z: 16 38.395 2.198 0.975 0.929 1.000 0.733 CB 1.598 16 residues pruned to eliminate duplicates Z: 37 33.429 2.098 0.744 0.586 0.972 0.556 CB 1.442 37 residues pruned to eliminate duplicates Z: 16 27.254 2.184 0.451 0.892 1.000 0.933 CB 1.595 16 residues pruned to eliminate duplicates Z: 18 21.444 2.009 0.812 0.648 0.882 0.765 CB 1.410 18 residues pruned to eliminate duplicates Z: 18 28.824 2.251 0.686 0.862 0.941 0.824 CB 1.437 18 residues pruned to eliminate duplicates Z: 122 95.421 2.260 1.034 0.738 0.975 0.711 CB 1.563 122 residues pruned to eliminate duplicates Z: 16 18.748 1.947 0.567 0.619 1.000 0.867 CA 1.418 16 residues pruned to eliminate duplicates Z: 92 64.036 2.191 0.741 0.724 0.978 0.780 CB 1.470 92 residues pruned to eliminate duplicates Z: 105 74.075 2.224 0.897 0.724 0.942 0.731 CB 1.493 105 residues pruned to eliminate duplicates Z: 24 38.104 2.261 1.029 0.614 0.913 0.522 CA 1.702 24 residues pruned to eliminate duplicates Z: 27 38.013 2.220 1.125 0.626 0.962 0.654 CB 1.460 27 residues pruned to eliminate duplicates 365 residues left after pruning, divided into chains as follows: A: 184 B: 181 CC for partial structure against native data = 42.72 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.505, Connect. = 0.811 for dens.mod. cycle 1 = 0.300, Contrast = 0.565, Connect. = 0.824 for dens.mod. cycle 2 = 0.300, Contrast = 0.694, Connect. = 0.847 for dens.mod. cycle 3 = 0.300, Contrast = 0.703, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.716, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.721, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.727, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.731, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.734, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.737, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2549 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 596 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 52.752 2.377 0.969 0.925 1.000 0.833 CB 1.864 B: 17 55.336 2.477 1.006 0.953 1.000 0.938 CB 1.915 C: 26 66.019 2.555 0.984 0.923 0.960 0.920 CB 1.906 D: 27 70.388 2.504 1.151 0.894 0.962 0.885 CB 1.912 26 residues pruned to eliminate duplicates E: 27 83.032 2.456 1.380 0.921 1.000 0.846 CB 1.961 19 residues pruned to eliminate duplicates F: 26 77.322 2.556 1.096 0.931 1.000 0.880 CB 2.017 27 residues pruned to eliminate duplicates G: 17 36.340 2.292 0.623 0.911 1.000 0.875 CB 1.731 H: 17 36.817 2.356 0.573 0.910 1.000 0.875 CA 1.762 17 residues pruned to eliminate duplicates I: 27 76.371 2.489 1.321 0.917 1.000 0.808 CB 1.830 27 residues pruned to eliminate duplicates J: 17 41.370 2.369 0.846 0.889 0.938 0.875 CA 1.815 17 residues pruned to eliminate duplicates K: 27 72.846 2.471 1.299 0.930 0.962 0.692 CB 1.830 27 residues pruned to eliminate duplicates L: 26 81.848 2.556 1.287 0.940 0.960 0.920 CB 2.026 26 residues pruned to eliminate duplicates M: 17 44.587 2.403 0.675 0.942 1.000 0.938 CA 1.920 N: 16 49.329 2.399 0.984 0.956 1.000 1.000 CB 1.839 O: 18 43.556 2.391 0.826 0.918 1.000 1.000 CB 1.706 P: 14 33.788 2.376 0.557 0.934 1.000 0.846 CB 1.767 Q: 17 41.808 2.364 0.624 0.928 1.000 1.000 CB 1.906 R: 27 67.337 2.459 1.117 0.897 0.923 0.885 CB 1.968 27 residues pruned to eliminate duplicates S: 19 36.604 2.297 0.482 0.939 1.000 0.889 CB 1.762 17 residues pruned to eliminate duplicates T: 18 42.429 2.365 0.689 0.921 1.000 0.941 CB 1.813 18 residues pruned to eliminate duplicates U: 24 63.711 2.566 1.016 0.923 0.957 0.957 CB 1.887 24 residues pruned to eliminate duplicates V: 15 31.570 2.325 0.441 0.937 1.000 0.929 CB 1.753 14 residues pruned to eliminate duplicates W: 18 37.848 2.390 0.734 0.869 0.941 0.882 CB 1.719 18 residues pruned to eliminate duplicates X: 18 39.606 2.393 0.573 0.945 1.000 1.000 CB 1.767 18 residues pruned to eliminate duplicates Y: 26 93.467 2.568 1.415 0.949 1.000 0.880 CB 2.080 26 residues pruned to eliminate duplicates Z: 16 34.711 2.430 0.713 0.939 1.000 1.000 CB 1.496 16 residues pruned to eliminate duplicates Z: 27 53.445 2.468 0.804 0.904 0.923 0.885 CB 1.817 27 residues pruned to eliminate duplicates Z: 17 43.174 2.365 0.771 0.927 1.000 0.875 CB 1.805 17 residues pruned to eliminate duplicates Z: 15 25.971 2.296 0.260 0.911 1.000 0.857 CB 1.701 15 residues pruned to eliminate duplicates Z: 16 39.019 2.260 0.744 0.937 1.000 0.933 CA 1.779 16 residues pruned to eliminate duplicates Z: 16 35.191 2.396 0.423 0.914 1.000 0.933 CB 1.885 16 residues pruned to eliminate duplicates Z: 18 47.196 2.372 0.745 0.952 1.000 0.941 CB 1.904 18 residues pruned to eliminate duplicates Z: 17 48.610 2.475 0.820 0.929 1.000 0.938 CB 1.888 Z: 26 89.196 2.569 1.342 0.926 1.000 0.840 CB 2.078 26 residues pruned to eliminate duplicates Z: 18 58.789 2.338 1.122 0.934 1.000 0.882 CA 2.004 16 residues pruned to eliminate duplicates Z: 17 45.198 2.370 0.844 0.915 1.000 0.938 CA 1.827 17 residues pruned to eliminate duplicates Z: 26 91.777 2.582 1.380 0.930 1.000 0.920 CB 2.088 26 residues pruned to eliminate duplicates Z: 17 35.813 2.437 0.567 0.940 1.000 1.000 CB 1.628 17 residues pruned to eliminate duplicates Z: 18 41.754 2.423 0.813 0.920 0.941 0.882 CB 1.726 18 residues pruned to eliminate duplicates Z: 18 42.615 2.371 0.740 0.938 1.000 0.941 CB 1.742 18 residues pruned to eliminate duplicates Z: 18 30.797 2.369 0.344 0.900 1.000 0.941 CB 1.676 18 residues pruned to eliminate duplicates Z: 20 54.067 2.352 0.997 0.901 1.000 0.737 CB 1.885 20 residues pruned to eliminate duplicates Z: 27 62.026 2.480 0.972 0.921 0.962 0.885 CB 1.821 27 residues pruned to eliminate duplicates Z: 17 44.713 2.335 1.021 0.899 0.938 0.875 CB 1.806 17 residues pruned to eliminate duplicates Z: 18 43.499 2.336 0.818 0.926 1.000 0.941 CB 1.742 18 residues pruned to eliminate duplicates Z: 26 54.360 2.537 0.639 0.915 0.960 0.920 CB 1.924 26 residues pruned to eliminate duplicates Z: 18 39.986 2.400 0.863 0.884 0.882 0.824 CB 1.776 18 residues pruned to eliminate duplicates Z: 16 55.168 2.391 1.204 0.946 1.000 1.000 CB 1.870 16 residues pruned to eliminate duplicates Z: 16 52.060 2.410 1.063 0.941 1.000 0.867 CB 1.876 16 residues pruned to eliminate duplicates Z: 18 42.090 2.391 0.740 0.943 1.000 0.882 CB 1.701 18 residues pruned to eliminate duplicates Z: 17 47.243 2.424 0.752 0.924 1.000 0.875 CB 1.954 17 residues pruned to eliminate duplicates Z: 18 50.367 2.365 0.956 0.923 1.000 0.941 C 1.855 17 residues pruned to eliminate duplicates Z: 27 73.849 2.446 1.263 0.920 0.962 0.808 CB 1.915 27 residues pruned to eliminate duplicates Z: 17 49.158 2.427 0.789 0.954 1.000 0.938 CB 1.947 17 residues pruned to eliminate duplicates Z: 18 41.329 2.337 0.712 0.922 1.000 0.882 CB 1.761 18 residues pruned to eliminate duplicates Z: 18 44.559 2.370 0.689 0.935 1.000 0.941 CA 1.882 18 residues pruned to eliminate duplicates Z: 27 57.114 2.477 0.825 0.885 0.962 0.808 CB 1.861 27 residues pruned to eliminate duplicates Z: 15 36.433 2.349 0.619 0.922 1.000 0.857 CB 1.799 15 residues pruned to eliminate duplicates Z: 26 74.252 2.534 1.017 0.919 1.000 0.960 CB 2.048 26 residues pruned to eliminate duplicates Z: 12 15.541 2.131 0.215 0.727 0.909 0.545 CA 1.623 Z: 17 51.666 2.465 0.966 0.921 1.000 0.938 CB 1.876 17 residues pruned to eliminate duplicates Z: 18 39.604 2.364 0.659 0.908 0.941 0.882 CA 1.849 18 residues pruned to eliminate duplicates Z: 17 47.146 2.405 0.887 0.894 0.938 0.875 C 1.987 17 residues pruned to eliminate duplicates Z: 9 30.517 2.343 0.746 0.921 1.000 1.000 CB 1.856 9 residues pruned to eliminate duplicates Z: 17 44.116 2.343 0.768 0.918 1.000 0.938 CB 1.878 17 residues pruned to eliminate duplicates Z: 17 38.057 2.373 0.607 0.889 1.000 0.875 CB 1.796 17 residues pruned to eliminate duplicates Z: 26 85.652 2.552 1.252 0.922 1.000 0.880 CB 2.096 26 residues pruned to eliminate duplicates Z: 16 38.912 2.409 0.558 0.914 1.000 0.933 CB 1.893 16 residues pruned to eliminate duplicates Z: 18 53.315 2.385 0.907 0.929 1.000 0.882 CA 1.990 18 residues pruned to eliminate duplicates Z: 18 46.152 2.412 0.776 0.939 1.000 0.882 CB 1.816 18 residues pruned to eliminate duplicates Z: 27 80.275 2.480 1.411 0.908 1.000 0.846 CB 1.870 27 residues pruned to eliminate duplicates Z: 15 34.605 2.324 0.675 0.908 1.000 0.643 CB 1.687 15 residues pruned to eliminate duplicates Z: 10 11.371 2.286 0.381 0.712 0.556 0.333 CA 1.783 Z: 17 34.489 2.366 0.493 0.934 1.000 1.000 CB 1.702 Z: 17 39.523 2.380 0.647 0.924 1.000 0.875 CB 1.770 17 residues pruned to eliminate duplicates Z: 16 38.239 2.376 0.697 0.895 1.000 0.800 CB 1.756 16 residues pruned to eliminate duplicates Z: 27 66.814 2.439 0.937 0.917 1.000 0.923 CB 1.957 27 residues pruned to eliminate duplicates Z: 26 81.118 2.579 1.161 0.920 1.000 0.880 CB 2.051 26 residues pruned to eliminate duplicates Z: 8 7.758 1.673 0.249 0.699 1.000 0.429 C 1.170 8 residues pruned to eliminate duplicates Z: 27 76.915 2.435 1.344 0.911 0.962 0.885 CB 1.947 27 residues pruned to eliminate duplicates Z: 16 38.603 2.427 0.558 0.933 1.000 1.000 CB 1.839 16 residues pruned to eliminate duplicates Z: 15 33.020 2.323 0.502 0.925 1.000 0.929 CB 1.775 15 residues pruned to eliminate duplicates Z: 8 12.302 2.271 0.142 0.696 0.857 0.429 C 1.748 8 residues pruned to eliminate duplicates Z: 27 69.450 2.466 1.184 0.930 0.962 0.885 CB 1.840 27 residues pruned to eliminate duplicates Z: 12 23.841 2.108 0.588 0.835 1.000 0.818 C 1.608 12 residues pruned to eliminate duplicates Z: 18 43.418 2.400 0.613 0.947 1.000 1.000 CB 1.878 18 residues pruned to eliminate duplicates Z: 18 53.112 2.390 0.891 0.935 1.000 0.941 CB 1.986 18 residues pruned to eliminate duplicates Z: 18 55.206 2.328 1.026 0.937 1.000 0.941 C 1.975 18 residues pruned to eliminate duplicates Z: 10 28.610 2.217 0.608 0.931 1.000 0.667 CA 1.869 Z: 17 41.205 2.409 0.865 0.915 0.938 0.875 CB 1.730 17 residues pruned to eliminate duplicates Z: 18 48.408 2.391 1.016 0.904 1.000 0.882 CB 1.734 18 residues pruned to eliminate duplicates Z: 14 34.487 2.244 0.988 0.897 0.923 0.769 CB 1.663 14 residues pruned to eliminate duplicates Z: 18 41.390 2.355 0.861 0.902 1.000 0.941 CB 1.634 18 residues pruned to eliminate duplicates Z: 18 35.761 2.379 0.530 0.931 1.000 0.941 CB 1.665 18 residues pruned to eliminate duplicates Z: 15 39.893 2.282 0.988 0.896 0.929 0.786 CB 1.813 15 residues pruned to eliminate duplicates Z: 27 57.393 2.470 0.803 0.906 0.962 0.923 CB 1.869 27 residues pruned to eliminate duplicates Z: 26 72.516 2.526 1.034 0.928 1.000 0.880 CB 1.977 26 residues pruned to eliminate duplicates Z: 17 42.031 2.463 0.662 0.924 1.000 0.938 CB 1.802 17 residues pruned to eliminate duplicates Z: 26 82.959 2.473 1.384 0.942 1.000 0.800 CB 1.952 26 residues pruned to eliminate duplicates Z: 19 40.822 2.250 0.667 0.911 1.000 0.889 CA 1.817 19 residues pruned to eliminate duplicates Z: 16 39.080 2.377 0.841 0.886 0.933 0.867 CB 1.782 16 residues pruned to eliminate duplicates Z: 26 81.520 2.516 1.404 0.950 0.960 0.760 CB 1.937 26 residues pruned to eliminate duplicates Z: 11 21.806 2.170 0.401 0.878 1.000 0.800 C 1.646 11 residues pruned to eliminate duplicates Z: 17 45.211 2.337 0.823 0.923 1.000 0.875 CB 1.864 17 residues pruned to eliminate duplicates Z: 15 34.535 2.314 0.560 0.937 1.000 0.786 CB 1.780 15 residues pruned to eliminate duplicates Z: 18 44.005 2.342 0.737 0.922 1.000 0.824 CB 1.845 18 residues pruned to eliminate duplicates Z: 26 70.524 2.576 1.008 0.925 0.960 0.760 CB 1.993 26 residues pruned to eliminate duplicates Z: 17 26.650 2.240 0.358 0.940 1.000 1.000 CB 1.521 17 residues pruned to eliminate duplicates Z: 11 26.179 2.194 0.491 0.915 1.000 0.900 C 1.788 Z: 17 36.824 2.292 0.569 0.916 1.000 0.875 CA 1.808 17 residues pruned to eliminate duplicates Z: 11 19.752 2.284 0.362 0.687 1.000 0.400 CA 1.692 10 residues pruned to eliminate duplicates Z: 27 71.547 2.456 1.134 0.946 1.000 0.731 CB 1.852 27 residues pruned to eliminate duplicates Z: 16 39.729 2.454 0.565 0.911 1.000 0.933 CB 1.893 16 residues pruned to eliminate duplicates Z: 27 65.840 2.416 1.252 0.930 0.923 0.692 CB 1.797 27 residues pruned to eliminate duplicates Z: 27 57.570 2.451 0.760 0.932 1.000 0.923 CB 1.827 27 residues pruned to eliminate duplicates Z: 16 36.943 2.428 0.480 0.898 1.000 0.867 CB 1.899 16 residues pruned to eliminate duplicates Z: 18 51.033 2.479 0.890 0.952 1.000 0.882 CB 1.819 18 residues pruned to eliminate duplicates Z: 19 57.140 2.423 0.956 0.922 1.000 0.889 CB 1.998 19 residues pruned to eliminate duplicates Z: 17 41.544 2.361 0.714 0.879 1.000 0.875 CB 1.862 17 residues pruned to eliminate duplicates Z: 12 21.902 2.092 0.315 0.927 1.000 1.000 C 1.683 11 residues pruned to eliminate duplicates Z: 18 47.758 2.344 1.090 0.894 1.000 0.765 CB 1.696 18 residues pruned to eliminate duplicates Z: 17 45.858 2.392 0.754 0.918 1.000 0.875 CA 1.928 17 residues pruned to eliminate duplicates Z: 11 21.344 2.165 0.567 0.880 0.900 0.800 C 1.602 11 residues pruned to eliminate duplicates Z: 12 20.945 2.172 0.366 0.911 1.000 0.727 CB 1.509 Z: 17 44.055 2.415 0.772 0.941 1.000 0.938 CB 1.786 17 residues pruned to eliminate duplicates Z: 17 47.102 2.389 0.931 0.949 1.000 0.875 CB 1.762 17 residues pruned to eliminate duplicates Z: 26 69.132 2.552 0.868 0.939 1.000 0.960 CB 2.016 26 residues pruned to eliminate duplicates Z: 17 41.531 2.453 0.708 0.931 1.000 1.000 CB 1.731 17 residues pruned to eliminate duplicates Z: 18 37.629 2.373 0.613 0.914 1.000 1.000 CB 1.687 18 residues pruned to eliminate duplicates Z: 15 40.964 2.551 0.687 0.934 1.000 0.929 CB 1.774 15 residues pruned to eliminate duplicates Z: 14 35.303 2.224 0.715 0.922 1.000 0.846 CB 1.806 14 residues pruned to eliminate duplicates Z: 18 46.041 2.375 0.717 0.933 1.000 0.941 CA 1.911 18 residues pruned to eliminate duplicates Z: 6 5.645 2.031 -0.241 0.789 0.800 0.600 CA 1.588 Z: 14 16.356 2.140 -0.051 0.949 1.000 0.923 CB 1.542 Z: 21 51.883 2.461 0.874 0.869 0.950 0.850 CB 1.934 21 residues pruned to eliminate duplicates Z: 18 50.564 2.346 0.924 0.930 1.000 0.824 CA 1.900 18 residues pruned to eliminate duplicates Z: 27 60.457 2.432 0.938 0.923 0.962 0.846 CB 1.838 27 residues pruned to eliminate duplicates Z: 27 74.593 2.471 1.285 0.925 1.000 0.731 CB 1.819 27 residues pruned to eliminate duplicates Z: 16 36.712 2.328 0.639 0.926 1.000 0.933 CB 1.742 16 residues pruned to eliminate duplicates Z: 18 39.338 2.379 0.607 0.949 1.000 0.882 CB 1.723 18 residues pruned to eliminate duplicates Z: 17 45.162 2.432 0.806 0.915 0.938 0.875 CA 1.938 17 residues pruned to eliminate duplicates Z: 18 42.900 2.383 0.789 0.906 0.941 0.882 CB 1.844 18 residues pruned to eliminate duplicates Z: 16 37.569 2.407 0.643 0.933 1.000 0.933 CB 1.711 16 residues pruned to eliminate duplicates Z: 15 31.614 2.326 0.607 0.901 0.929 0.786 CB 1.737 15 residues pruned to eliminate duplicates Z: 14 38.545 2.336 0.817 0.913 0.923 0.769 CB 1.931 14 residues pruned to eliminate duplicates Z: 16 34.811 2.441 0.421 0.925 1.000 1.000 CA 1.819 16 residues pruned to eliminate duplicates Z: 18 47.539 2.284 1.049 0.922 1.000 0.882 CA 1.732 18 residues pruned to eliminate duplicates Z: 18 44.737 2.335 0.868 0.910 1.000 0.882 CB 1.765 18 residues pruned to eliminate duplicates Z: 6 7.499 2.067 -0.052 0.756 1.000 0.800 CA 1.362 Z: 13 20.079 2.044 0.447 0.896 1.000 0.667 CB 1.404 13 residues pruned to eliminate duplicates Z: 17 44.412 2.319 0.843 0.909 1.000 0.938 CB 1.844 17 residues pruned to eliminate duplicates Z: 18 50.434 2.354 1.047 0.917 1.000 0.882 CA 1.792 18 residues pruned to eliminate duplicates Z: 27 73.329 2.421 1.313 0.899 0.962 0.769 CB 1.909 27 residues pruned to eliminate duplicates Z: 17 46.032 2.400 0.899 0.919 1.000 0.938 CB 1.780 17 residues pruned to eliminate duplicates Z: 27 80.769 2.452 1.373 0.910 1.000 0.885 CB 1.930 27 residues pruned to eliminate duplicates Z: 143 121.145 2.445 0.869 0.749 0.979 0.768 CB 1.820 124 residues pruned to eliminate duplicates Z: 19 40.703 2.287 0.684 0.928 1.000 0.889 CB 1.744 19 residues pruned to eliminate duplicates Z: 11 19.552 2.235 0.291 0.805 1.000 0.800 CB 1.641 11 residues pruned to eliminate duplicates Z: 12 28.012 2.088 0.772 0.883 1.000 0.636 CA 1.651 12 residues pruned to eliminate duplicates Z: 19 40.437 2.271 0.623 0.930 1.000 0.778 CB 1.808 19 residues pruned to eliminate duplicates Z: 18 40.056 2.409 0.471 0.921 1.000 0.941 CB 1.929 18 residues pruned to eliminate duplicates Z: 17 35.750 2.430 0.566 0.894 1.000 0.875 CB 1.685 16 residues pruned to eliminate duplicates Z: 19 49.305 2.281 1.043 0.917 0.944 0.667 CB 1.863 19 residues pruned to eliminate duplicates Z: 10 15.587 2.350 0.197 0.740 0.889 0.444 CA 1.675 11 residues pruned to eliminate duplicates Z: 11 24.587 2.113 0.685 0.909 0.900 0.800 C 1.722 12 residues pruned to eliminate duplicates Z: 18 35.052 2.341 0.523 0.913 0.941 0.824 CB 1.792 18 residues pruned to eliminate duplicates Z: 18 51.999 2.271 1.117 0.913 1.000 0.824 C 1.857 18 residues pruned to eliminate duplicates Z: 12 20.544 2.015 0.501 0.823 0.909 0.636 CA 1.703 12 residues pruned to eliminate duplicates Z: 27 86.258 2.456 1.466 0.921 1.000 0.769 CB 1.966 27 residues pruned to eliminate duplicates Z: 26 64.709 2.553 0.883 0.923 0.960 0.880 CB 1.971 26 residues pruned to eliminate duplicates Z: 18 34.559 2.363 0.595 0.893 0.882 0.824 CB 1.809 18 residues pruned to eliminate duplicates Z: 18 38.257 2.322 0.582 0.918 0.941 0.824 C 1.892 18 residues pruned to eliminate duplicates Z: 11 21.730 2.140 0.669 0.793 0.900 0.400 C 1.653 11 residues pruned to eliminate duplicates Z: 12 18.517 2.056 0.330 0.844 0.909 0.636 C 1.671 12 residues pruned to eliminate duplicates Z: 17 45.152 2.361 0.781 0.925 1.000 0.938 CA 1.885 17 residues pruned to eliminate duplicates Z: 27 74.101 2.423 1.332 0.914 0.962 0.692 CB 1.891 27 residues pruned to eliminate duplicates Z: 18 31.022 2.343 0.542 0.900 0.941 0.941 CB 1.581 18 residues pruned to eliminate duplicates Z: 11 24.193 2.178 0.550 0.868 1.000 0.700 CB 1.656 11 residues pruned to eliminate duplicates Z: 19 34.421 2.275 0.667 0.851 1.000 0.667 CB 1.583 19 residues pruned to eliminate duplicates Z: 10 16.863 2.244 0.314 0.706 0.889 0.333 C 1.779 10 residues pruned to eliminate duplicates Z: 82 85.968 2.391 0.898 0.704 0.975 0.642 CB 1.793 52 residues pruned to eliminate duplicates Z: 17 36.636 2.356 0.490 0.914 1.000 0.938 CA 1.846 17 residues pruned to eliminate duplicates Z: 23 46.337 2.360 0.877 0.836 0.955 0.818 CB 1.749 23 residues pruned to eliminate duplicates Z: 17 40.392 2.341 0.749 0.901 1.000 0.938 CB 1.760 17 residues pruned to eliminate duplicates Z: 27 70.452 2.466 1.180 0.942 0.962 0.923 CB 1.854 27 residues pruned to eliminate duplicates Z: 17 33.599 2.363 0.556 0.878 0.938 0.938 CB 1.769 17 residues pruned to eliminate duplicates Z: 186 118.903 2.357 0.818 0.698 0.968 0.649 CB 1.760 173 residues pruned to eliminate duplicates Z: 17 38.620 2.385 0.520 0.905 1.000 0.875 CB 1.895 17 residues pruned to eliminate duplicates Z: 91 86.930 2.397 0.793 0.732 0.967 0.733 CB 1.790 91 residues pruned to eliminate duplicates Z: 14 17.900 2.132 0.078 0.941 1.000 0.923 CB 1.498 14 residues pruned to eliminate duplicates Z: 16 43.645 2.445 0.688 0.917 1.000 0.933 CB 1.927 16 residues pruned to eliminate duplicates Z: 18 40.750 2.421 0.631 0.868 1.000 0.882 CB 1.830 18 residues pruned to eliminate duplicates Z: 16 33.715 2.389 0.463 0.950 1.000 1.000 CA 1.718 16 residues pruned to eliminate duplicates Z: 10 10.857 2.077 0.119 0.773 0.778 0.444 CA 1.573 10 residues pruned to eliminate duplicates Z: 14 23.849 2.120 0.431 0.933 1.000 0.846 CB 1.522 14 residues pruned to eliminate duplicates Z: 27 60.927 2.430 0.753 0.927 1.000 0.923 CB 1.966 27 residues pruned to eliminate duplicates Z: 17 31.098 2.418 0.291 0.929 1.000 1.000 CB 1.743 17 residues pruned to eliminate duplicates Z: 18 44.183 2.407 0.688 0.924 1.000 0.882 CB 1.853 18 residues pruned to eliminate duplicates Z: 12 17.514 2.046 0.234 0.805 0.909 0.636 CA 1.764 12 residues pruned to eliminate duplicates Z: 14 20.212 2.132 0.137 0.939 1.000 0.846 CB 1.606 14 residues pruned to eliminate duplicates Z: 27 59.268 2.450 0.917 0.919 0.962 0.885 CB 1.814 27 residues pruned to eliminate duplicates Z: 10 16.192 2.191 0.186 0.854 0.889 0.556 CA 1.726 10 residues pruned to eliminate duplicates Z: 17 48.241 2.397 0.948 0.919 1.000 0.938 CB 1.820 17 residues pruned to eliminate duplicates Z: 7 10.593 1.984 0.119 0.728 1.000 0.167 CA 1.587 7 residues pruned to eliminate duplicates Z: 11 13.683 2.136 0.173 0.741 0.800 0.400 C 1.740 11 residues pruned to eliminate duplicates Z: 17 29.312 2.331 0.252 0.878 1.000 0.875 CB 1.822 17 residues pruned to eliminate duplicates Z: 17 35.831 2.364 0.496 0.915 1.000 1.000 CA 1.791 17 residues pruned to eliminate duplicates Z: 12 22.542 2.066 0.552 0.818 1.000 0.818 CB 1.608 12 residues pruned to eliminate duplicates Z: 18 41.681 2.363 0.682 0.943 1.000 1.000 CB 1.762 18 residues pruned to eliminate duplicates Z: 18 44.947 2.399 0.759 0.945 1.000 0.941 CB 1.788 18 residues pruned to eliminate duplicates Z: 23 42.394 2.402 0.866 0.848 0.864 0.818 CB 1.732 23 residues pruned to eliminate duplicates Z: 17 54.365 2.435 1.051 0.932 1.000 0.812 CB 1.900 17 residues pruned to eliminate duplicates Z: 19 54.396 2.399 1.242 0.916 0.944 0.889 CB 1.783 19 residues pruned to eliminate duplicates Z: 13 22.895 2.141 0.548 0.852 1.000 0.667 CB 1.475 13 residues pruned to eliminate duplicates Z: 27 64.942 2.428 0.963 0.911 0.962 0.962 CB 1.970 27 residues pruned to eliminate duplicates Z: 14 20.684 2.147 0.300 0.941 0.923 0.846 CB 1.546 14 residues pruned to eliminate duplicates Z: 15 39.301 2.499 0.804 0.945 0.929 0.929 CB 1.736 15 residues pruned to eliminate duplicates Z: 17 52.509 2.409 1.149 0.886 1.000 0.938 CB 1.830 17 residues pruned to eliminate duplicates Z: 12 23.854 2.317 0.425 0.865 1.000 0.818 CB 1.596 12 residues pruned to eliminate duplicates Z: 16 32.464 2.388 0.471 0.882 0.933 0.667 CB 1.850 16 residues pruned to eliminate duplicates Z: 12 27.390 2.142 0.511 0.929 1.000 1.000 CB 1.785 12 residues pruned to eliminate duplicates Z: 17 32.307 2.313 0.530 0.917 1.000 0.812 CB 1.611 17 residues pruned to eliminate duplicates Z: 45 52.961 2.373 0.650 0.665 0.955 0.795 CB 1.833 45 residues pruned to eliminate duplicates Z: 18 46.884 2.440 0.914 0.863 0.941 0.706 CA 1.897 18 residues pruned to eliminate duplicates Z: 18 54.128 2.389 1.085 0.893 0.941 0.882 CB 2.010 18 residues pruned to eliminate duplicates Z: 16 36.638 2.540 0.419 0.929 1.000 1.000 CB 1.836 16 residues pruned to eliminate duplicates Z: 17 33.927 2.305 0.528 0.882 1.000 0.875 C 1.743 17 residues pruned to eliminate duplicates Z: 14 18.003 2.099 0.169 0.946 1.000 0.923 CB 1.406 14 residues pruned to eliminate duplicates Z: 9 7.925 1.673 -0.068 0.823 1.000 0.625 CB 1.359 9 residues pruned to eliminate duplicates Z: 7 11.984 2.046 0.127 0.814 1.000 0.833 CA 1.615 8 residues pruned to eliminate duplicates Z: 18 49.473 2.404 0.969 0.943 1.000 0.882 CB 1.756 18 residues pruned to eliminate duplicates Z: 18 33.622 2.367 0.444 0.928 1.000 1.000 CB 1.670 18 residues pruned to eliminate duplicates Z: 14 21.155 2.133 0.257 0.914 1.000 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 17 42.399 2.440 0.578 0.920 1.000 0.875 CB 1.939 17 residues pruned to eliminate duplicates Z: 13 24.232 2.131 0.576 0.875 1.000 0.917 CB 1.515 13 residues pruned to eliminate duplicates Z: 27 67.951 2.477 1.164 0.907 0.962 0.846 CB 1.838 27 residues pruned to eliminate duplicates Z: 16 45.893 2.464 0.878 0.903 0.933 0.933 CB 1.955 16 residues pruned to eliminate duplicates Z: 15 44.317 2.344 0.949 0.931 1.000 0.857 CB 1.812 15 residues pruned to eliminate duplicates Z: 18 52.275 2.395 1.100 0.930 1.000 0.882 CB 1.763 18 residues pruned to eliminate duplicates Z: 17 46.898 2.256 1.003 0.939 1.000 0.812 CA 1.804 17 residues pruned to eliminate duplicates Z: 11 21.226 2.253 0.505 0.886 1.000 0.800 CB 1.429 11 residues pruned to eliminate duplicates Z: 18 39.186 2.321 0.644 0.923 1.000 0.882 CB 1.751 18 residues pruned to eliminate duplicates Z: 13 15.924 1.995 0.427 0.830 1.000 0.750 CB 1.214 13 residues pruned to eliminate duplicates Z: 7 9.380 1.823 0.505 0.759 0.833 0.500 CB 1.330 7 residues pruned to eliminate duplicates Z: 15 37.035 2.361 0.834 0.926 0.929 0.786 CB 1.726 15 residues pruned to eliminate duplicates Z: 8 11.196 2.156 0.061 0.819 0.857 0.571 C 1.636 8 residues pruned to eliminate duplicates Z: 16 47.022 2.446 0.933 0.929 1.000 0.933 CB 1.797 16 residues pruned to eliminate duplicates Z: 16 44.715 2.431 0.735 0.940 1.000 0.933 CB 1.901 16 residues pruned to eliminate duplicates Z: 27 69.736 2.461 1.069 0.904 0.962 0.885 CB 1.990 27 residues pruned to eliminate duplicates Z: 15 39.763 2.333 0.903 0.940 1.000 0.786 CB 1.662 15 residues pruned to eliminate duplicates Z: 185 109.528 2.372 0.692 0.689 0.951 0.685 CB 1.780 185 residues pruned to eliminate duplicates Z: 6 8.758 2.032 -0.150 0.850 1.000 0.800 C 1.679 6 residues pruned to eliminate duplicates Z: 18 40.271 2.387 0.596 0.934 0.941 0.882 CA 1.899 18 residues pruned to eliminate duplicates Z: 57 56.987 2.349 0.735 0.624 0.911 0.643 CB 1.824 42 residues pruned to eliminate duplicates Z: 12 18.907 2.135 0.417 0.904 1.000 0.909 CB 1.342 12 residues pruned to eliminate duplicates Z: 34 35.807 2.278 0.677 0.556 0.939 0.667 CB 1.645 35 residues pruned to eliminate duplicates Z: 14 26.139 2.058 0.723 0.766 1.000 0.692 CB 1.616 14 residues pruned to eliminate duplicates Z: 8 6.069 1.778 0.142 0.691 0.714 0.286 C 1.328 8 residues pruned to eliminate duplicates Z: 11 20.297 2.080 0.530 0.913 0.900 0.600 C 1.586 11 residues pruned to eliminate duplicates Z: 14 40.865 2.311 0.873 0.942 1.000 0.846 CB 1.816 14 residues pruned to eliminate duplicates Z: 12 25.491 2.296 0.448 0.884 1.000 0.909 CB 1.670 12 residues pruned to eliminate duplicates Z: 6 13.180 2.010 0.866 0.630 1.000 0.600 CB 1.391 6 residues pruned to eliminate duplicates Z: 18 46.678 2.282 0.880 0.901 1.000 0.882 C 1.883 18 residues pruned to eliminate duplicates Z: 12 29.533 2.277 0.669 0.876 1.000 0.818 CB 1.703 12 residues pruned to eliminate duplicates Z: 11 16.290 2.116 0.093 0.857 1.000 0.900 C 1.642 11 residues pruned to eliminate duplicates Z: 13 20.629 2.144 0.340 0.936 0.917 0.917 CB 1.576 13 residues pruned to eliminate duplicates Z: 17 30.653 2.387 0.424 0.914 1.000 0.875 CB 1.595 17 residues pruned to eliminate duplicates Z: 15 21.398 2.057 0.381 0.895 1.000 0.786 CB 1.442 15 residues pruned to eliminate duplicates Z: 18 51.894 2.382 1.146 0.908 1.000 0.824 CB 1.749 18 residues pruned to eliminate duplicates Z: 96 88.676 2.407 0.774 0.710 0.979 0.684 CB 1.799 96 residues pruned to eliminate duplicates Z: 6 13.923 2.045 0.375 0.841 1.000 0.800 C 1.651 6 residues pruned to eliminate duplicates Z: 13 21.016 2.094 0.314 0.910 1.000 0.917 CB 1.564 13 residues pruned to eliminate duplicates Z: 30 44.264 2.290 0.726 0.664 1.000 0.759 CB 1.788 30 residues pruned to eliminate duplicates Z: 27 69.745 2.443 1.252 0.931 0.962 0.769 CB 1.806 27 residues pruned to eliminate duplicates Z: 7 13.298 2.029 0.393 0.884 1.000 0.833 CB 1.389 7 residues pruned to eliminate duplicates Z: 94 78.053 2.379 0.706 0.671 0.925 0.624 CB 1.843 94 residues pruned to eliminate duplicates Z: 27 68.773 2.387 1.362 0.890 0.962 0.654 CB 1.790 27 residues pruned to eliminate duplicates Z: 16 45.276 2.237 1.142 0.905 1.000 0.800 CA 1.736 16 residues pruned to eliminate duplicates Z: 17 42.416 2.487 0.521 0.948 1.000 1.000 CB 1.936 17 residues pruned to eliminate duplicates Z: 13 15.265 1.902 0.252 0.820 1.000 0.833 CB 1.403 13 residues pruned to eliminate duplicates Z: 13 19.120 2.081 0.356 0.840 0.917 0.667 CB 1.592 13 residues pruned to eliminate duplicates Z: 17 43.820 2.357 0.749 0.909 1.000 1.000 CA 1.887 17 residues pruned to eliminate duplicates Z: 16 47.861 2.365 1.027 0.917 1.000 0.933 CB 1.820 16 residues pruned to eliminate duplicates Z: 18 51.524 2.363 1.198 0.932 1.000 0.824 CB 1.680 18 residues pruned to eliminate duplicates Z: 13 23.795 2.088 0.545 0.910 1.000 0.833 CB 1.510 13 residues pruned to eliminate duplicates Z: 18 36.908 2.312 0.542 0.922 1.000 0.941 CA 1.767 18 residues pruned to eliminate duplicates Z: 18 37.473 2.384 0.660 0.898 1.000 0.824 CB 1.644 18 residues pruned to eliminate duplicates Z: 17 40.995 2.392 0.666 0.926 1.000 1.000 CA 1.803 17 residues pruned to eliminate duplicates Z: 60 49.300 2.252 0.596 0.631 0.932 0.610 CB 1.694 60 residues pruned to eliminate duplicates Z: 12 15.442 2.087 0.192 0.838 1.000 0.545 CB 1.398 12 residues pruned to eliminate duplicates Z: 16 44.408 2.331 0.863 0.905 1.000 0.800 CB 1.880 16 residues pruned to eliminate duplicates Z: 17 46.325 2.393 0.827 0.937 1.000 0.812 CA 1.843 17 residues pruned to eliminate duplicates Z: 40 64.685 2.419 1.029 0.767 0.897 0.744 CB 1.855 40 residues pruned to eliminate duplicates Z: 14 21.447 2.117 0.256 0.945 1.000 0.923 CB 1.549 14 residues pruned to eliminate duplicates Z: 112 89.307 2.407 0.724 0.678 0.955 0.685 CB 1.816 110 residues pruned to eliminate duplicates Z: 11 23.220 2.438 0.406 0.841 0.900 0.800 CB 1.775 11 residues pruned to eliminate duplicates Z: 41 50.207 2.387 0.760 0.624 0.925 0.500 CB 1.817 41 residues pruned to eliminate duplicates Z: 9 15.072 1.879 0.358 0.870 1.000 0.625 CB 1.524 8 residues pruned to eliminate duplicates Z: 15 17.716 2.052 0.163 0.899 0.929 0.929 CB 1.528 15 residues pruned to eliminate duplicates Z: 143 113.092 2.425 0.834 0.720 0.951 0.725 CB 1.840 143 residues pruned to eliminate duplicates Z: 12 18.087 1.982 0.442 0.844 0.909 0.818 C 1.562 12 residues pruned to eliminate duplicates Z: 144 121.830 2.441 0.878 0.756 0.972 0.776 CB 1.820 144 residues pruned to eliminate duplicates Z: 16 44.157 2.423 0.725 0.940 1.000 1.000 CB 1.894 16 residues pruned to eliminate duplicates Z: 11 24.569 2.140 0.651 0.791 1.000 0.400 C 1.703 11 residues pruned to eliminate duplicates Z: 16 27.909 2.124 0.591 0.868 1.000 0.800 CB 1.559 16 residues pruned to eliminate duplicates Z: 7 7.384 2.040 -0.027 0.775 0.833 0.667 CA 1.430 7 residues pruned to eliminate duplicates Z: 7 9.095 1.809 0.034 0.869 1.000 0.667 C 1.451 7 residues pruned to eliminate duplicates Z: 14 29.921 2.334 0.349 0.933 1.000 0.923 CB 1.839 14 residues pruned to eliminate duplicates Z: 17 35.281 2.279 0.560 0.875 1.000 0.812 CB 1.805 17 residues pruned to eliminate duplicates Z: 9 7.861 1.997 0.130 0.419 0.875 0.500 C 1.532 9 residues pruned to eliminate duplicates Z: 12 20.638 2.198 0.354 0.908 1.000 0.636 CB 1.485 12 residues pruned to eliminate duplicates Z: 16 53.208 2.410 1.123 0.952 1.000 0.933 CA 1.849 16 residues pruned to eliminate duplicates Z: 14 18.393 2.083 0.163 0.935 1.000 0.846 CB 1.467 14 residues pruned to eliminate duplicates Z: 14 29.337 2.256 0.523 0.908 1.000 0.615 CB 1.683 14 residues pruned to eliminate duplicates Z: 21 63.257 2.393 1.222 0.912 0.950 0.850 CB 1.983 21 residues pruned to eliminate duplicates Z: 12 23.815 2.311 0.417 0.880 1.000 0.909 CB 1.588 12 residues pruned to eliminate duplicates Z: 12 19.679 1.972 0.535 0.886 0.909 0.636 C 1.556 12 residues pruned to eliminate duplicates Z: 6 9.202 1.815 0.082 0.836 1.000 0.600 C 1.568 6 residues pruned to eliminate duplicates Z: 41 57.654 2.423 0.840 0.745 0.975 0.775 CB 1.685 41 residues pruned to eliminate duplicates Z: 16 41.827 2.421 0.670 0.927 1.000 1.000 CB 1.872 16 residues pruned to eliminate duplicates Z: 17 51.736 2.365 1.022 0.926 1.000 0.875 CB 1.896 17 residues pruned to eliminate duplicates Z: 16 39.932 2.326 0.896 0.932 1.000 0.933 CA 1.633 16 residues pruned to eliminate duplicates Z: 12 22.804 2.279 0.384 0.880 1.000 0.818 CB 1.580 12 residues pruned to eliminate duplicates Z: 24 37.122 2.236 0.755 0.706 0.913 0.739 C 1.792 24 residues pruned to eliminate duplicates Z: 12 12.994 2.096 0.004 0.917 1.000 0.909 CB 1.314 12 residues pruned to eliminate duplicates Z: 17 31.466 2.396 0.472 0.894 1.000 0.938 CB 1.600 17 residues pruned to eliminate duplicates Z: 17 41.965 2.367 0.635 0.905 1.000 1.000 CB 1.929 17 residues pruned to eliminate duplicates Z: 18 44.302 2.297 0.858 0.920 1.000 0.941 CA 1.773 18 residues pruned to eliminate duplicates Z: 66 88.129 2.470 0.941 0.757 0.954 0.769 CB 1.902 66 residues pruned to eliminate duplicates Z: 17 38.930 2.315 0.593 0.880 1.000 0.875 CB 1.912 17 residues pruned to eliminate duplicates Z: 14 12.622 2.046 0.527 0.385 0.923 0.462 CB 1.371 14 residues pruned to eliminate duplicates Z: 15 32.923 2.282 0.614 0.920 1.000 0.786 CB 1.683 15 residues pruned to eliminate duplicates Z: 7 14.290 2.044 0.543 0.858 1.000 0.667 CB 1.362 7 residues pruned to eliminate duplicates Z: 27 25.873 2.178 0.267 0.683 1.000 0.615 CB 1.553 28 residues pruned to eliminate duplicates Z: 10 20.301 2.289 0.262 0.874 1.000 0.778 CB 1.705 10 residues pruned to eliminate duplicates Z: 13 8.277 1.925 -0.066 0.489 0.917 0.500 CB 1.466 13 residues pruned to eliminate duplicates Z: 13 27.784 2.150 0.771 0.866 1.000 0.750 CB 1.542 13 residues pruned to eliminate duplicates Z: 12 17.316 2.045 0.281 0.898 1.000 0.727 CB 1.426 12 residues pruned to eliminate duplicates Z: 17 32.703 2.418 0.411 0.937 1.000 1.000 CB 1.668 17 residues pruned to eliminate duplicates Z: 18 41.495 2.284 0.933 0.891 1.000 0.765 CB 1.640 18 residues pruned to eliminate duplicates Z: 16 35.935 2.342 0.583 0.930 1.000 1.000 CB 1.750 16 residues pruned to eliminate duplicates Z: 82 72.079 2.333 0.726 0.683 0.951 0.667 CB 1.768 81 residues pruned to eliminate duplicates Z: 14 16.712 2.064 0.101 0.878 1.000 0.692 CB 1.480 14 residues pruned to eliminate duplicates Z: 11 20.270 2.199 0.176 0.851 1.000 0.800 C 1.834 11 residues pruned to eliminate duplicates Z: 9 21.277 2.265 0.533 0.870 0.875 0.500 C 1.808 9 residues pruned to eliminate duplicates Z: 7 3.783 1.626 -0.207 0.752 0.833 0.667 C 1.148 7 residues pruned to eliminate duplicates Z: 17 46.936 2.375 0.870 0.919 1.000 0.938 CA 1.862 17 residues pruned to eliminate duplicates Z: 27 67.259 2.412 1.168 0.915 1.000 0.731 CB 1.783 27 residues pruned to eliminate duplicates Z: 6 11.774 1.944 0.808 0.722 1.000 0.600 CB 1.227 6 residues pruned to eliminate duplicates Z: 17 33.775 2.386 0.746 0.910 1.000 0.938 CB 1.437 17 residues pruned to eliminate duplicates Z: 8 6.501 1.645 0.119 0.712 0.857 0.429 N 1.285 8 residues pruned to eliminate duplicates Z: 13 21.235 1.956 0.695 0.879 1.000 0.917 CB 1.342 13 residues pruned to eliminate duplicates Z: 10 20.381 2.320 0.171 0.924 1.000 1.000 CB 1.756 10 residues pruned to eliminate duplicates Z: 16 44.498 2.429 0.790 0.912 1.000 0.933 CB 1.870 16 residues pruned to eliminate duplicates Z: 29 42.410 2.230 1.069 0.612 0.929 0.786 CB 1.683 29 residues pruned to eliminate duplicates Z: 91 72.810 2.331 0.627 0.691 0.944 0.722 CB 1.799 91 residues pruned to eliminate duplicates Z: 17 37.666 2.345 0.702 0.909 1.000 0.875 CB 1.674 17 residues pruned to eliminate duplicates Z: 18 51.689 2.342 0.979 0.921 1.000 0.824 CA 1.903 18 residues pruned to eliminate duplicates Z: 27 75.578 2.384 1.399 0.915 0.962 0.577 CB 1.905 27 residues pruned to eliminate duplicates Z: 8 20.532 1.956 0.955 0.751 1.000 0.571 C 1.622 8 residues pruned to eliminate duplicates Z: 130 101.412 2.407 0.759 0.722 0.946 0.760 CB 1.825 130 residues pruned to eliminate duplicates Z: 13 18.167 2.012 0.478 0.845 1.000 0.917 CB 1.311 13 residues pruned to eliminate duplicates Z: 16 45.228 2.353 0.987 0.944 1.000 1.000 CA 1.730 16 residues pruned to eliminate duplicates Z: 141 116.592 2.460 0.815 0.750 0.957 0.793 CB 1.845 141 residues pruned to eliminate duplicates Z: 13 15.700 2.018 0.370 0.836 1.000 0.833 CB 1.228 13 residues pruned to eliminate duplicates Z: 11 17.418 2.239 0.393 0.876 0.900 0.800 CB 1.425 11 residues pruned to eliminate duplicates Z: 12 27.761 2.222 0.767 0.852 0.909 0.818 CB 1.734 12 residues pruned to eliminate duplicates Z: 127 98.283 2.398 0.719 0.725 0.960 0.706 CB 1.805 127 residues pruned to eliminate duplicates Z: 7 7.668 1.971 0.078 0.856 0.833 0.833 CB 1.305 7 residues pruned to eliminate duplicates Z: 11 20.565 2.153 0.340 0.783 1.000 0.500 C 1.758 11 residues pruned to eliminate duplicates Z: 18 44.337 2.298 1.040 0.880 0.941 0.765 CA 1.765 18 residues pruned to eliminate duplicates Z: 28 38.088 2.280 0.640 0.677 0.963 0.667 CB 1.729 28 residues pruned to eliminate duplicates Z: 26 86.764 2.577 1.285 0.934 1.000 0.920 CB 2.055 26 residues pruned to eliminate duplicates Z: 7 14.568 1.984 0.316 0.887 1.000 0.833 C 1.643 8 residues pruned to eliminate duplicates Z: 14 29.282 2.127 0.702 0.936 1.000 0.846 CB 1.562 14 residues pruned to eliminate duplicates Z: 16 39.581 2.438 0.502 0.903 1.000 0.800 CB 1.990 16 residues pruned to eliminate duplicates Z: 6 6.899 1.978 -0.026 0.873 0.800 0.800 CA 1.458 6 residues pruned to eliminate duplicates Z: 16 36.792 2.336 0.683 0.900 0.933 0.600 CB 1.848 16 residues pruned to eliminate duplicates Z: 107 90.045 2.408 0.665 0.716 0.981 0.755 CB 1.828 107 residues pruned to eliminate duplicates Z: 24 35.786 2.296 0.869 0.650 0.913 0.565 CB 1.656 24 residues pruned to eliminate duplicates Z: 33 23.395 2.062 0.571 0.376 0.906 0.531 CA 1.608 33 residues pruned to eliminate duplicates Z: 44 28.689 2.167 0.334 0.605 0.953 0.628 CB 1.437 44 residues pruned to eliminate duplicates Z: 29 28.707 2.114 0.621 0.657 0.929 0.607 CB 1.474 29 residues pruned to eliminate duplicates Z: 17 55.582 2.294 1.249 0.927 1.000 0.875 CB 1.886 17 residues pruned to eliminate duplicates Z: 16 21.516 2.106 0.302 0.660 1.000 0.867 CB 1.746 16 residues pruned to eliminate duplicates Z: 43 44.826 2.368 0.586 0.607 0.905 0.571 CB 1.838 43 residues pruned to eliminate duplicates Z: 10 21.864 2.365 0.203 0.915 1.000 0.889 CB 1.810 10 residues pruned to eliminate duplicates Z: 19 37.412 2.159 0.821 0.898 0.944 0.667 CB 1.698 19 residues pruned to eliminate duplicates Z: 15 13.521 2.121 0.305 0.428 1.000 0.714 CB 1.407 15 residues pruned to eliminate duplicates Z: 14 32.933 2.242 0.712 0.921 1.000 0.769 CB 1.675 14 residues pruned to eliminate duplicates Z: 151 94.994 2.321 0.746 0.661 0.960 0.700 CB 1.717 151 residues pruned to eliminate duplicates Z: 26 85.266 2.542 1.441 0.948 0.960 0.920 CB 1.977 26 residues pruned to eliminate duplicates Z: 17 31.335 2.359 0.334 0.901 1.000 0.938 CB 1.776 17 residues pruned to eliminate duplicates Z: 17 34.350 2.279 0.463 0.905 1.000 0.875 CB 1.833 17 residues pruned to eliminate duplicates Z: 56 53.350 2.309 0.661 0.662 0.927 0.655 CB 1.741 56 residues pruned to eliminate duplicates Z: 27 59.257 2.462 0.888 0.919 0.962 0.846 CB 1.832 27 residues pruned to eliminate duplicates Z: 10 14.353 2.138 0.273 0.687 0.889 0.444 C 1.667 10 residues pruned to eliminate duplicates Z: 12 16.847 2.089 0.239 0.765 1.000 0.727 CA 1.551 12 residues pruned to eliminate duplicates Z: 17 40.206 2.319 0.695 0.916 1.000 0.875 C 1.806 17 residues pruned to eliminate duplicates Z: 14 43.737 2.346 0.961 0.941 1.000 0.846 CB 1.830 14 residues pruned to eliminate duplicates Z: 8 14.610 2.180 0.273 0.906 0.857 0.857 CB 1.651 8 residues pruned to eliminate duplicates Z: 13 15.145 2.087 0.126 0.712 0.917 0.833 CA 1.674 13 residues pruned to eliminate duplicates Z: 14 19.795 2.245 0.443 0.533 0.923 0.615 CB 1.778 14 residues pruned to eliminate duplicates Z: 7 10.956 1.812 0.839 0.725 1.000 0.833 C 1.096 7 residues pruned to eliminate duplicates Z: 11 9.325 2.145 -0.220 0.900 1.000 0.800 CB 1.259 11 residues pruned to eliminate duplicates Z: 18 51.444 2.408 0.800 0.933 1.000 0.941 CB 2.008 18 residues pruned to eliminate duplicates Z: 20 52.087 2.336 1.175 0.745 0.947 0.737 CB 1.994 20 residues pruned to eliminate duplicates Z: 18 31.145 2.330 0.420 0.913 1.000 0.765 CB 1.616 18 residues pruned to eliminate duplicates Z: 56 61.363 2.387 0.645 0.647 0.964 0.673 CB 1.907 56 residues pruned to eliminate duplicates Z: 9 10.228 1.799 0.773 0.753 0.875 0.875 CB 1.034 9 residues pruned to eliminate duplicates Z: 6 13.956 2.056 0.517 0.828 1.000 0.600 C 1.508 6 residues pruned to eliminate duplicates Z: 40 62.114 2.441 0.998 0.740 0.923 0.821 CB 1.782 40 residues pruned to eliminate duplicates Z: 42 53.423 2.402 0.772 0.597 0.951 0.585 CB 1.877 42 residues pruned to eliminate duplicates Z: 14 23.473 2.078 0.464 0.926 1.000 0.692 CB 1.500 14 residues pruned to eliminate duplicates Z: 7 6.371 1.987 0.445 0.443 0.667 0.500 CB 1.441 7 residues pruned to eliminate duplicates Z: 11 19.258 2.218 0.392 0.919 1.000 0.900 CB 1.389 11 residues pruned to eliminate duplicates Z: 18 38.383 2.316 0.478 0.935 1.000 1.000 CA 1.895 18 residues pruned to eliminate duplicates Z: 14 29.114 2.132 0.652 0.943 1.000 0.769 CB 1.589 14 residues pruned to eliminate duplicates Z: 102 95.570 2.449 0.837 0.700 0.970 0.772 CB 1.816 102 residues pruned to eliminate duplicates Z: 17 35.856 2.206 0.671 0.904 1.000 0.625 C 1.733 17 residues pruned to eliminate duplicates Z: 117 108.606 2.454 0.881 0.728 0.948 0.724 CB 1.875 117 residues pruned to eliminate duplicates Z: 141 120.766 2.467 0.838 0.750 0.971 0.793 CB 1.854 141 residues pruned to eliminate duplicates Z: 163 114.355 2.398 0.759 0.709 0.981 0.735 CB 1.794 163 residues pruned to eliminate duplicates Z: 132 114.771 2.436 0.850 0.753 0.969 0.718 CB 1.832 132 residues pruned to eliminate duplicates Z: 41 50.436 2.376 0.700 0.718 0.950 0.850 CB 1.706 41 residues pruned to eliminate duplicates Z: 18 35.532 2.216 0.715 0.862 1.000 0.647 CB 1.664 18 residues pruned to eliminate duplicates Z: 16 50.201 2.399 1.045 0.924 1.000 0.867 CB 1.854 16 residues pruned to eliminate duplicates Z: 127 108.821 2.446 0.787 0.731 0.960 0.738 CB 1.876 127 residues pruned to eliminate duplicates Z: 12 17.677 2.191 1.001 0.476 0.909 0.636 CB 1.370 12 residues pruned to eliminate duplicates Z: 7 16.041 2.388 0.315 0.820 1.000 0.833 CA 1.579 7 residues pruned to eliminate duplicates Z: 12 14.873 2.021 0.279 0.912 1.000 0.909 CB 1.228 12 residues pruned to eliminate duplicates Z: 145 113.555 2.436 0.800 0.742 0.958 0.764 CB 1.814 145 residues pruned to eliminate duplicates Z: 14 16.738 2.193 0.561 0.419 1.000 0.538 CB 1.476 14 residues pruned to eliminate duplicates Z: 146 117.132 2.419 0.841 0.743 0.972 0.772 CB 1.807 146 residues pruned to eliminate duplicates Z: 8 14.426 2.350 0.165 0.787 0.857 0.571 C 1.806 8 residues pruned to eliminate duplicates Z: 11 13.581 2.086 0.284 0.645 0.900 0.800 CA 1.556 11 residues pruned to eliminate duplicates Z: 11 17.633 2.096 0.284 0.839 0.900 0.800 C 1.719 11 residues pruned to eliminate duplicates Z: 16 41.861 2.299 0.946 0.883 1.000 0.733 CB 1.747 16 residues pruned to eliminate duplicates Z: 43 37.389 2.205 0.603 0.606 0.929 0.667 CB 1.590 43 residues pruned to eliminate duplicates Z: 18 40.798 2.301 0.666 0.925 1.000 0.941 CA 1.811 18 residues pruned to eliminate duplicates Z: 6 8.124 1.712 0.900 0.627 0.800 0.600 CB 1.239 6 residues pruned to eliminate duplicates Z: 18 46.665 2.394 0.872 0.943 1.000 0.941 CB 1.750 18 residues pruned to eliminate duplicates Z: 16 42.980 2.482 0.676 0.925 1.000 1.000 CB 1.871 16 residues pruned to eliminate duplicates Z: 14 20.028 2.043 0.345 0.923 1.000 0.846 CB 1.420 14 residues pruned to eliminate duplicates Z: 18 48.677 2.265 1.074 0.909 1.000 0.941 CB 1.783 18 residues pruned to eliminate duplicates Z: 15 18.547 2.210 0.595 0.451 1.000 0.714 CB 1.479 15 residues pruned to eliminate duplicates Z: 38 53.599 2.356 0.720 0.712 0.973 0.838 CB 1.843 38 residues pruned to eliminate duplicates Z: 72 69.154 2.339 0.850 0.644 0.915 0.704 CB 1.811 72 residues pruned to eliminate duplicates Z: 33 45.074 2.262 0.676 0.694 0.969 0.656 CB 1.817 33 residues pruned to eliminate duplicates Z: 92 87.946 2.406 0.737 0.749 0.967 0.758 CB 1.826 92 residues pruned to eliminate duplicates Z: 30 41.585 2.375 0.794 0.612 0.931 0.828 CB 1.750 30 residues pruned to eliminate duplicates Z: 7 12.556 2.081 0.295 0.895 1.000 0.667 CB 1.364 7 residues pruned to eliminate duplicates Z: 9 3.406 1.582 0.420 0.394 0.500 0.500 CA 1.198 9 residues pruned to eliminate duplicates Z: 21 32.160 2.255 0.889 0.608 0.900 0.800 C 1.693 21 residues pruned to eliminate duplicates Z: 11 12.422 1.812 0.388 0.837 1.000 0.900 CB 1.168 11 residues pruned to eliminate duplicates Z: 59 64.323 2.418 0.772 0.676 0.931 0.776 CB 1.800 59 residues pruned to eliminate duplicates Z: 8 11.901 2.005 0.568 0.804 1.000 1.000 CB 1.098 8 residues pruned to eliminate duplicates Z: 97 86.839 2.368 0.704 0.729 0.969 0.750 CB 1.844 97 residues pruned to eliminate duplicates Z: 98 93.015 2.423 0.784 0.707 0.979 0.732 CB 1.848 98 residues pruned to eliminate duplicates Z: 19 37.711 2.277 0.876 0.708 0.944 0.833 CB 1.824 19 residues pruned to eliminate duplicates Z: 104 86.303 2.418 0.752 0.693 0.932 0.728 CB 1.804 104 residues pruned to eliminate duplicates Z: 16 51.333 2.492 1.033 0.937 0.933 0.933 CA 1.950 16 residues pruned to eliminate duplicates Z: 45 54.172 2.262 0.761 0.739 0.955 0.636 CB 1.734 45 residues pruned to eliminate duplicates Z: 17 39.105 2.376 0.796 0.900 1.000 0.875 CB 1.637 17 residues pruned to eliminate duplicates Z: 74 81.020 2.390 0.873 0.724 0.959 0.685 CB 1.805 74 residues pruned to eliminate duplicates Z: 48 72.690 2.431 0.933 0.764 0.979 0.851 CB 1.824 48 residues pruned to eliminate duplicates Z: 7 12.147 2.053 0.428 0.847 1.000 1.000 CA 1.256 7 residues pruned to eliminate duplicates Z: 12 23.482 1.938 0.681 0.883 1.000 0.636 C 1.571 12 residues pruned to eliminate duplicates Z: 78 75.414 2.339 0.864 0.704 0.935 0.714 CB 1.750 78 residues pruned to eliminate duplicates Z: 50 62.371 2.369 0.619 0.742 1.000 0.735 CB 1.870 50 residues pruned to eliminate duplicates Z: 43 56.787 2.367 0.801 0.623 0.952 0.714 CB 1.922 43 residues pruned to eliminate duplicates Z: 27 51.953 2.346 0.991 0.892 0.962 0.615 CB 1.630 27 residues pruned to eliminate duplicates Z: 17 17.242 2.121 0.463 0.547 0.812 0.312 CB 1.634 17 residues pruned to eliminate duplicates Z: 14 14.930 2.155 0.407 0.437 1.000 0.538 CB 1.458 14 residues pruned to eliminate duplicates Z: 14 21.955 2.260 0.617 0.477 0.923 0.385 CB 1.847 14 residues pruned to eliminate duplicates Z: 12 14.742 2.293 0.553 0.370 0.909 0.364 CB 1.578 12 residues pruned to eliminate duplicates Z: 88 84.061 2.378 0.851 0.699 0.943 0.736 CB 1.811 88 residues pruned to eliminate duplicates Z: 112 88.065 2.392 0.744 0.707 0.955 0.766 CB 1.739 112 residues pruned to eliminate duplicates Z: 10 6.411 1.749 0.113 0.747 0.667 0.333 C 1.319 10 residues pruned to eliminate duplicates Z: 132 118.258 2.451 0.911 0.748 0.962 0.771 CB 1.837 132 residues pruned to eliminate duplicates Z: 126 105.908 2.455 0.773 0.708 0.976 0.744 CB 1.845 126 residues pruned to eliminate duplicates Z: 85 71.965 2.346 0.714 0.666 0.952 0.702 CB 1.758 85 residues pruned to eliminate duplicates Z: 94 85.929 2.334 0.841 0.721 0.957 0.710 CB 1.774 94 residues pruned to eliminate duplicates Z: 51 56.049 2.252 0.671 0.687 0.980 0.780 CB 1.810 51 residues pruned to eliminate duplicates Z: 8 10.654 1.864 0.588 0.806 0.857 0.714 CB 1.215 8 residues pruned to eliminate duplicates Z: 13 20.845 2.238 0.577 0.512 0.917 0.583 CA 1.839 13 residues pruned to eliminate duplicates Z: 20 39.989 2.355 1.077 0.674 0.947 0.789 CB 1.686 20 residues pruned to eliminate duplicates Z: 16 47.682 2.266 1.132 0.877 1.000 0.733 CB 1.851 16 residues pruned to eliminate duplicates Z: 19 49.945 2.313 0.898 0.953 1.000 0.944 CA 1.845 19 residues pruned to eliminate duplicates Z: 33 51.262 2.411 0.834 0.753 0.969 0.812 CB 1.688 33 residues pruned to eliminate duplicates Z: 17 38.585 2.340 0.845 0.915 0.938 0.875 CB 1.684 17 residues pruned to eliminate duplicates Z: 17 37.598 2.318 0.749 0.890 1.000 0.938 CB 1.668 17 residues pruned to eliminate duplicates Z: 134 112.129 2.440 0.814 0.748 0.962 0.774 CB 1.829 134 residues pruned to eliminate duplicates Z: 50 47.193 2.258 0.653 0.613 0.980 0.612 CB 1.657 50 residues pruned to eliminate duplicates Z: 70 67.401 2.367 0.792 0.668 0.928 0.623 CB 1.765 70 residues pruned to eliminate duplicates Z: 49 56.755 2.348 0.578 0.707 1.000 0.729 CB 1.832 49 residues pruned to eliminate duplicates Z: 16 26.330 1.993 0.572 0.899 1.000 0.733 CB 1.551 16 residues pruned to eliminate duplicates Z: 82 77.803 2.401 0.811 0.681 0.914 0.741 CB 1.842 82 residues pruned to eliminate duplicates Z: 19 42.794 2.409 0.724 0.885 1.000 0.833 CB 1.755 19 residues pruned to eliminate duplicates Z: 6 14.328 2.157 0.452 0.842 1.000 0.800 CB 1.524 6 residues pruned to eliminate duplicates Z: 61 54.773 2.351 0.627 0.652 0.933 0.633 CB 1.719 61 residues pruned to eliminate duplicates Z: 16 35.964 2.376 0.505 0.936 1.000 1.000 CA 1.808 16 residues pruned to eliminate duplicates Z: 16 39.273 2.313 0.748 0.905 1.000 0.667 CB 1.785 16 residues pruned to eliminate duplicates Z: 18 48.427 2.334 0.851 0.931 1.000 0.941 C 1.900 18 residues pruned to eliminate duplicates Z: 37 69.228 2.490 0.844 0.812 1.000 0.750 CB 1.915 37 residues pruned to eliminate duplicates Z: 13 19.189 2.091 0.191 0.897 1.000 0.917 CB 1.593 13 residues pruned to eliminate duplicates Z: 25 39.647 2.290 0.873 0.553 1.000 0.625 CB 1.792 25 residues pruned to eliminate duplicates Z: 32 36.032 2.265 0.636 0.600 0.935 0.613 CB 1.697 32 residues pruned to eliminate duplicates Z: 34 49.468 2.380 0.928 0.705 0.909 0.667 CB 1.713 34 residues pruned to eliminate duplicates Z: 19 29.687 2.191 0.544 0.808 0.944 0.778 CB 1.674 19 residues pruned to eliminate duplicates Z: 6 8.432 2.024 0.131 0.737 1.000 0.800 CB 1.332 6 residues pruned to eliminate duplicates Z: 8 11.076 1.959 0.055 0.830 1.000 0.857 CA 1.524 8 residues pruned to eliminate duplicates Z: 35 53.929 2.381 0.945 0.672 0.941 0.735 CB 1.811 35 residues pruned to eliminate duplicates Z: 37 44.553 2.286 0.623 0.677 0.917 0.778 CB 1.854 37 residues pruned to eliminate duplicates Z: 37 40.555 2.279 0.719 0.578 0.944 0.611 CB 1.694 37 residues pruned to eliminate duplicates Z: 8 19.407 2.026 0.525 0.862 1.000 0.857 CB 1.742 8 residues pruned to eliminate duplicates Z: 24 38.629 2.223 0.666 0.732 0.957 0.826 CB 1.846 24 residues pruned to eliminate duplicates Z: 79 72.394 2.293 0.884 0.663 0.936 0.654 CB 1.744 79 residues pruned to eliminate duplicates Z: 9 8.578 2.079 0.190 0.432 0.875 0.250 CB 1.504 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 9.322 1.950 0.753 0.392 1.000 0.200 CA 1.367 6 residues pruned to eliminate duplicates Z: 6 9.195 1.960 1.011 0.386 1.000 0.600 CA 1.178 6 residues pruned to eliminate duplicates Z: 57 50.342 2.286 0.579 0.664 0.946 0.643 CB 1.692 57 residues pruned to eliminate duplicates Z: 38 26.620 2.138 0.394 0.566 0.919 0.649 CB 1.498 38 residues pruned to eliminate duplicates Z: 28 30.475 2.194 0.489 0.655 1.000 0.704 CB 1.555 28 residues pruned to eliminate duplicates Z: 32 24.429 2.084 0.282 0.650 1.000 0.710 CB 1.428 32 residues pruned to eliminate duplicates Z: 57 45.807 2.283 0.464 0.665 0.946 0.643 CB 1.662 57 residues pruned to eliminate duplicates Z: 38 27.300 2.184 0.344 0.566 0.973 0.676 CB 1.475 38 residues pruned to eliminate duplicates Z: 57 51.949 2.284 0.571 0.664 0.982 0.732 CB 1.692 57 residues pruned to eliminate duplicates Z: 46 32.355 2.150 0.465 0.583 0.956 0.556 CB 1.480 46 residues pruned to eliminate duplicates Z: 14 23.752 2.104 0.551 0.936 0.923 0.846 CB 1.523 14 residues pruned to eliminate duplicates Z: 38 26.631 2.151 0.414 0.569 0.919 0.568 CB 1.466 38 residues pruned to eliminate duplicates Z: 13 17.587 2.115 0.064 0.911 1.000 1.000 CB 1.599 13 residues pruned to eliminate duplicates Z: 43 33.887 2.185 0.516 0.602 0.929 0.643 CB 1.543 43 residues pruned to eliminate duplicates Z: 14 25.957 2.148 0.469 0.934 1.000 0.923 CB 1.591 14 residues pruned to eliminate duplicates Z: 28 30.272 2.184 0.531 0.669 0.963 0.704 CB 1.547 28 residues pruned to eliminate duplicates Z: 44 34.165 2.193 0.459 0.599 0.953 0.605 CB 1.555 44 residues pruned to eliminate duplicates Z: 15 21.155 2.070 0.475 0.887 0.857 0.714 CB 1.558 15 residues pruned to eliminate duplicates Z: 58 49.471 2.266 0.640 0.653 0.930 0.649 CB 1.644 58 residues pruned to eliminate duplicates Z: 14 23.864 2.142 0.486 0.934 0.923 0.846 CB 1.572 14 residues pruned to eliminate duplicates Z: 30 27.880 2.128 0.566 0.609 0.966 0.655 CB 1.451 30 residues pruned to eliminate duplicates Z: 29 31.096 2.162 0.637 0.641 0.964 0.607 CB 1.509 29 residues pruned to eliminate duplicates Z: 15 24.264 1.998 0.597 0.925 0.929 0.786 CB 1.535 15 residues pruned to eliminate duplicates Z: 59 49.060 2.196 0.762 0.666 0.879 0.603 CB 1.624 59 residues pruned to eliminate duplicates Z: 43 36.626 2.178 0.630 0.596 0.929 0.595 CB 1.564 43 residues pruned to eliminate duplicates Z: 58 53.204 2.226 0.779 0.671 0.930 0.491 CB 1.634 58 residues pruned to eliminate duplicates Z: 14 18.290 2.213 0.332 0.589 0.923 0.385 CB 1.712 14 residues pruned to eliminate duplicates Z: 42 35.603 2.205 0.453 0.631 0.976 0.585 CB 1.573 42 residues pruned to eliminate duplicates Z: 8 10.917 2.069 0.322 0.568 0.857 0.286 C 1.648 8 residues pruned to eliminate duplicates Z: 18 15.767 2.066 0.510 0.434 0.824 0.353 CB 1.594 18 residues pruned to eliminate duplicates Z: 58 51.331 2.262 0.634 0.648 0.947 0.596 CB 1.692 58 residues pruned to eliminate duplicates Z: 53 48.809 2.214 0.703 0.628 0.981 0.577 CB 1.624 53 residues pruned to eliminate duplicates Z: 10 20.563 2.302 0.271 0.744 1.000 0.444 C 1.885 10 residues pruned to eliminate duplicates Z: 122 87.582 2.371 0.658 0.680 0.934 0.620 CB 1.838 122 residues pruned to eliminate duplicates Z: 15 16.597 2.221 0.196 0.501 1.000 0.429 CB 1.668 15 residues pruned to eliminate duplicates Z: 30 43.046 2.325 0.787 0.676 0.897 0.586 CB 1.825 30 residues pruned to eliminate duplicates Z: 58 53.333 2.272 0.652 0.659 0.965 0.667 CB 1.683 58 residues pruned to eliminate duplicates Z: 28 51.045 2.426 0.700 0.724 1.000 0.630 CB 1.945 28 residues pruned to eliminate duplicates Z: 58 52.432 2.267 0.615 0.665 0.947 0.614 CB 1.720 58 residues pruned to eliminate duplicates Z: 17 47.156 2.273 1.177 0.835 0.938 0.688 C 1.903 17 residues pruned to eliminate duplicates Z: 30 49.566 2.339 0.921 0.707 0.966 0.552 CB 1.757 30 residues pruned to eliminate duplicates Z: 22 42.276 2.344 0.902 0.705 0.905 0.714 C 1.898 22 residues pruned to eliminate duplicates Z: 30 52.277 2.342 0.917 0.671 0.966 0.655 CB 1.913 30 residues pruned to eliminate duplicates Z: 16 54.940 2.425 1.228 0.882 1.000 0.933 CB 1.900 16 residues pruned to eliminate duplicates Z: 68 76.369 2.354 0.818 0.739 0.970 0.776 CB 1.815 68 residues pruned to eliminate duplicates Z: 156 114.581 2.416 0.756 0.710 0.961 0.761 CB 1.865 156 residues pruned to eliminate duplicates Z: 57 55.959 2.295 0.698 0.663 0.964 0.661 CB 1.712 57 residues pruned to eliminate duplicates Z: 57 59.730 2.291 0.783 0.681 0.964 0.732 CB 1.716 57 residues pruned to eliminate duplicates Z: 18 57.223 2.350 1.127 0.918 1.000 0.765 CB 1.957 18 residues pruned to eliminate duplicates Z: 157 118.358 2.427 0.784 0.713 0.968 0.692 CB 1.865 157 residues pruned to eliminate duplicates Z: 29 49.162 2.385 0.847 0.702 0.929 0.786 CB 1.889 29 residues pruned to eliminate duplicates Z: 146 109.224 2.420 0.773 0.722 0.924 0.752 CB 1.871 146 residues pruned to eliminate duplicates Z: 183 119.526 2.398 0.745 0.712 0.956 0.709 CB 1.828 183 residues pruned to eliminate duplicates Z: 68 80.691 2.395 0.759 0.770 0.985 0.761 CB 1.872 68 residues pruned to eliminate duplicates Z: 158 109.888 2.412 0.703 0.715 0.962 0.745 CB 1.827 158 residues pruned to eliminate duplicates Z: 144 113.534 2.426 0.730 0.739 0.972 0.748 CB 1.878 144 residues pruned to eliminate duplicates Z: 131 99.886 2.410 0.707 0.725 0.962 0.785 CB 1.809 131 residues pruned to eliminate duplicates Z: 184 116.681 2.394 0.693 0.712 0.978 0.760 CB 1.795 184 residues pruned to eliminate duplicates Z: 157 113.031 2.420 0.762 0.695 0.955 0.686 CB 1.859 157 residues pruned to eliminate duplicates Z: 157 109.153 2.403 0.715 0.708 0.949 0.782 CB 1.851 157 residues pruned to eliminate duplicates Z: 155 108.798 2.405 0.742 0.683 0.955 0.747 CB 1.853 155 residues pruned to eliminate duplicates Z: 71 76.634 2.395 0.756 0.743 0.957 0.757 CB 1.830 71 residues pruned to eliminate duplicates Z: 128 104.300 2.434 0.752 0.726 0.969 0.740 CB 1.828 128 residues pruned to eliminate duplicates Z: 94 86.157 2.399 0.796 0.704 0.957 0.710 CB 1.801 94 residues pruned to eliminate duplicates Z: 80 83.063 2.416 0.784 0.717 0.962 0.646 CB 1.852 80 residues pruned to eliminate duplicates Z: 49 62.826 2.359 0.771 0.747 0.958 0.771 CB 1.817 49 residues pruned to eliminate duplicates Z: 157 111.983 2.399 0.783 0.709 0.955 0.667 CB 1.814 157 residues pruned to eliminate duplicates Z: 150 120.949 2.431 0.802 0.736 0.966 0.779 CB 1.894 150 residues pruned to eliminate duplicates Z: 66 82.004 2.423 0.806 0.767 0.985 0.754 CB 1.864 66 residues pruned to eliminate duplicates Z: 184 121.454 2.393 0.770 0.712 0.962 0.710 CB 1.818 184 residues pruned to eliminate duplicates Z: 18 49.393 2.404 0.943 0.926 1.000 0.765 CB 1.799 18 residues pruned to eliminate duplicates Z: 69 66.772 2.346 0.755 0.641 0.941 0.706 CB 1.831 69 residues pruned to eliminate duplicates Z: 126 109.321 2.442 0.831 0.730 0.960 0.688 CB 1.853 126 residues pruned to eliminate duplicates Z: 129 103.623 2.419 0.805 0.719 0.953 0.742 CB 1.805 129 residues pruned to eliminate duplicates Z: 156 119.286 2.435 0.759 0.719 0.981 0.761 CB 1.871 156 residues pruned to eliminate duplicates Z: 51 72.149 2.423 0.844 0.734 1.000 0.800 CB 1.850 51 residues pruned to eliminate duplicates Z: 156 116.260 2.435 0.757 0.719 0.961 0.742 CB 1.863 156 residues pruned to eliminate duplicates Z: 57 65.527 2.402 0.745 0.698 0.946 0.679 CB 1.842 57 residues pruned to eliminate duplicates Z: 154 115.965 2.440 0.766 0.724 0.948 0.739 CB 1.876 154 residues pruned to eliminate duplicates Z: 66 78.586 2.416 0.728 0.766 1.000 0.846 CB 1.844 66 residues pruned to eliminate duplicates Z: 130 104.555 2.424 0.761 0.721 0.969 0.783 CB 1.824 130 residues pruned to eliminate duplicates Z: 155 124.495 2.440 0.828 0.740 0.961 0.753 CB 1.888 155 residues pruned to eliminate duplicates Z: 130 105.622 2.428 0.797 0.714 0.953 0.721 CB 1.841 130 residues pruned to eliminate duplicates Z: 156 112.075 2.430 0.740 0.715 0.948 0.729 CB 1.848 156 residues pruned to eliminate duplicates Z: 69 67.060 2.352 0.682 0.726 0.956 0.838 CB 1.753 69 residues pruned to eliminate duplicates Z: 128 109.231 2.447 0.801 0.724 0.969 0.724 CB 1.855 128 residues pruned to eliminate duplicates Z: 111 90.823 2.386 0.726 0.708 0.945 0.727 CB 1.841 111 residues pruned to eliminate duplicates Z: 49 60.786 2.383 0.731 0.751 0.958 0.875 CB 1.774 49 residues pruned to eliminate duplicates Z: 42 52.282 2.332 0.913 0.682 0.902 0.732 CB 1.716 42 residues pruned to eliminate duplicates Z: 143 118.037 2.435 0.798 0.754 0.979 0.782 CB 1.844 143 residues pruned to eliminate duplicates Z: 144 112.509 2.432 0.750 0.736 0.972 0.741 CB 1.840 144 residues pruned to eliminate duplicates Z: 94 79.759 2.369 0.667 0.708 0.968 0.688 CB 1.792 94 residues pruned to eliminate duplicates Z: 107 88.508 2.409 0.692 0.727 0.953 0.736 CB 1.804 107 residues pruned to eliminate duplicates Z: 88 84.702 2.437 0.661 0.736 0.977 0.736 CB 1.857 88 residues pruned to eliminate duplicates Z: 105 86.735 2.346 0.845 0.681 0.952 0.692 CB 1.748 105 residues pruned to eliminate duplicates Z: 89 88.416 2.437 0.776 0.733 0.966 0.818 CB 1.828 89 residues pruned to eliminate duplicates Z: 148 108.431 2.414 0.764 0.726 0.939 0.755 CB 1.825 148 residues pruned to eliminate duplicates Z: 92 79.586 2.395 0.727 0.704 0.934 0.769 CB 1.794 92 residues pruned to eliminate duplicates Z: 91 79.186 2.380 0.679 0.696 0.978 0.700 CB 1.785 91 residues pruned to eliminate duplicates Z: 22 19.655 1.958 0.650 0.508 0.857 0.381 CB 1.537 22 residues pruned to eliminate duplicates Z: 55 54.885 2.313 0.638 0.654 0.944 0.667 CB 1.809 55 residues pruned to eliminate duplicates Z: 185 119.164 2.384 0.781 0.698 0.957 0.717 CB 1.805 185 residues pruned to eliminate duplicates Z: 129 108.696 2.439 0.795 0.720 0.969 0.742 CB 1.858 129 residues pruned to eliminate duplicates Z: 154 114.578 2.426 0.778 0.720 0.954 0.725 CB 1.844 154 residues pruned to eliminate duplicates Z: 54 58.124 2.372 0.664 0.666 0.962 0.717 CB 1.802 54 residues pruned to eliminate duplicates Z: 130 109.002 2.430 0.811 0.718 0.977 0.798 CB 1.832 130 residues pruned to eliminate duplicates Z: 150 114.618 2.433 0.803 0.709 0.946 0.752 CB 1.871 150 residues pruned to eliminate duplicates Z: 118 106.340 2.447 0.852 0.736 0.957 0.795 CB 1.833 118 residues pruned to eliminate duplicates Z: 92 79.740 2.386 0.677 0.717 0.945 0.769 CB 1.816 92 residues pruned to eliminate duplicates Z: 36 48.040 2.354 0.610 0.712 1.000 0.686 CB 1.768 36 residues pruned to eliminate duplicates Z: 157 110.238 2.418 0.693 0.734 0.955 0.769 CB 1.830 157 residues pruned to eliminate duplicates Z: 75 74.916 2.394 0.667 0.732 0.959 0.811 CB 1.847 75 residues pruned to eliminate duplicates Z: 128 111.566 2.450 0.808 0.739 0.969 0.787 CB 1.863 128 residues pruned to eliminate duplicates Z: 146 110.510 2.398 0.795 0.727 0.952 0.690 CB 1.827 146 residues pruned to eliminate duplicates Z: 97 82.939 2.365 0.728 0.714 0.958 0.760 CB 1.781 97 residues pruned to eliminate duplicates Z: 89 89.937 2.441 0.762 0.729 0.977 0.761 CB 1.856 89 residues pruned to eliminate duplicates Z: 145 99.646 2.354 0.743 0.696 0.965 0.743 CB 1.754 145 residues pruned to eliminate duplicates Z: 18 48.133 2.383 0.841 0.909 1.000 0.824 CB 1.888 18 residues pruned to eliminate duplicates Z: 131 106.804 2.416 0.815 0.710 0.962 0.762 CB 1.836 131 residues pruned to eliminate duplicates Z: 106 86.968 2.364 0.785 0.700 0.943 0.705 CB 1.779 106 residues pruned to eliminate duplicates Z: 183 116.180 2.386 0.716 0.713 0.962 0.758 CB 1.803 183 residues pruned to eliminate duplicates Z: 94 83.042 2.379 0.706 0.710 0.978 0.742 CB 1.792 94 residues pruned to eliminate duplicates Z: 145 116.701 2.432 0.836 0.738 0.965 0.764 CB 1.823 145 residues pruned to eliminate duplicates Z: 55 55.744 2.348 0.670 0.653 0.944 0.685 CB 1.776 55 residues pruned to eliminate duplicates Z: 155 110.709 2.398 0.805 0.698 0.948 0.734 CB 1.814 155 residues pruned to eliminate duplicates Z: 80 81.472 2.433 0.725 0.717 0.987 0.759 CB 1.817 80 residues pruned to eliminate duplicates Z: 182 112.246 2.377 0.729 0.706 0.939 0.735 CB 1.792 182 residues pruned to eliminate duplicates Z: 92 80.234 2.394 0.693 0.706 0.945 0.747 CB 1.820 92 residues pruned to eliminate duplicates Z: 185 119.953 2.387 0.753 0.711 0.967 0.690 CB 1.804 185 residues pruned to eliminate duplicates Z: 51 57.790 2.369 0.601 0.707 1.000 0.760 CB 1.786 51 residues pruned to eliminate duplicates Z: 79 79.139 2.430 0.711 0.733 0.949 0.756 CB 1.842 79 residues pruned to eliminate duplicates Z: 146 112.038 2.430 0.759 0.731 0.959 0.766 CB 1.845 146 residues pruned to eliminate duplicates Z: 91 81.179 2.389 0.672 0.721 0.967 0.722 CB 1.815 91 residues pruned to eliminate duplicates Z: 76 83.834 2.466 0.710 0.748 0.987 0.760 CB 1.864 76 residues pruned to eliminate duplicates Z: 80 79.411 2.402 0.707 0.715 0.962 0.734 CB 1.864 80 residues pruned to eliminate duplicates Z: 91 84.131 2.394 0.723 0.713 0.967 0.733 CB 1.834 91 residues pruned to eliminate duplicates Z: 131 103.196 2.420 0.750 0.718 0.969 0.762 CB 1.810 131 residues pruned to eliminate duplicates Z: 90 84.463 2.417 0.743 0.719 0.955 0.697 CB 1.825 90 residues pruned to eliminate duplicates Z: 89 86.706 2.422 0.738 0.738 0.966 0.716 CB 1.837 89 residues pruned to eliminate duplicates Z: 74 63.471 2.326 0.729 0.681 0.945 0.658 CB 1.655 74 residues pruned to eliminate duplicates Z: 73 79.641 2.437 0.754 0.757 0.958 0.764 CB 1.822 73 residues pruned to eliminate duplicates Z: 145 112.232 2.418 0.755 0.749 0.965 0.743 CB 1.829 145 residues pruned to eliminate duplicates Z: 89 83.300 2.415 0.778 0.728 0.932 0.750 CB 1.808 89 residues pruned to eliminate duplicates Z: 157 118.717 2.415 0.840 0.720 0.955 0.744 CB 1.836 157 residues pruned to eliminate duplicates Z: 75 81.443 2.436 0.756 0.744 0.959 0.784 CB 1.854 75 residues pruned to eliminate duplicates Z: 38 54.205 2.415 0.777 0.683 0.946 0.703 CB 1.856 38 residues pruned to eliminate duplicates Z: 155 120.788 2.443 0.814 0.723 0.955 0.753 CB 1.882 155 residues pruned to eliminate duplicates Z: 129 112.156 2.434 0.876 0.721 0.977 0.672 CB 1.821 129 residues pruned to eliminate duplicates Z: 107 90.745 2.418 0.727 0.729 0.953 0.755 CB 1.802 107 residues pruned to eliminate duplicates Z: 156 123.136 2.434 0.852 0.724 0.968 0.716 CB 1.851 156 residues pruned to eliminate duplicates Z: 41 61.557 2.379 0.941 0.744 0.900 0.725 CB 1.883 41 residues pruned to eliminate duplicates Z: 155 117.386 2.417 0.852 0.723 0.948 0.747 CB 1.823 155 residues pruned to eliminate duplicates Z: 156 122.961 2.440 0.825 0.732 0.968 0.755 CB 1.859 156 residues pruned to eliminate duplicates Z: 96 89.845 2.406 0.812 0.716 0.947 0.747 CB 1.836 96 residues pruned to eliminate duplicates Z: 90 86.934 2.397 0.789 0.727 0.966 0.730 CB 1.812 90 residues pruned to eliminate duplicates Z: 144 118.326 2.431 0.834 0.741 0.972 0.748 CB 1.840 144 residues pruned to eliminate duplicates Z: 89 94.156 2.405 0.901 0.737 0.955 0.727 CB 1.859 89 residues pruned to eliminate duplicates Z: 27 72.754 2.476 1.256 0.910 0.962 0.808 CB 1.884 27 residues pruned to eliminate duplicates Z: 106 98.239 2.405 0.788 0.742 0.981 0.733 CB 1.830 106 residues pruned to eliminate duplicates Z: 185 123.401 2.390 0.812 0.709 0.973 0.696 CB 1.785 185 residues pruned to eliminate duplicates Z: 128 107.636 2.429 0.825 0.732 0.961 0.748 CB 1.821 128 residues pruned to eliminate duplicates Z: 93 85.738 2.375 0.826 0.707 0.957 0.739 CB 1.785 93 residues pruned to eliminate duplicates Z: 80 91.607 2.442 0.929 0.723 0.962 0.696 CB 1.859 80 residues pruned to eliminate duplicates Z: 78 92.397 2.429 0.899 0.746 0.987 0.753 CB 1.857 78 residues pruned to eliminate duplicates Z: 89 95.079 2.429 0.889 0.724 0.977 0.670 CB 1.846 89 residues pruned to eliminate duplicates Z: 94 89.928 2.350 0.902 0.702 0.968 0.699 CB 1.792 94 residues pruned to eliminate duplicates Z: 184 118.547 2.388 0.736 0.715 0.984 0.754 CB 1.769 184 residues pruned to eliminate duplicates Z: 90 90.621 2.399 0.859 0.717 0.955 0.697 CB 1.852 90 residues pruned to eliminate duplicates Z: 90 94.890 2.384 0.910 0.730 0.966 0.787 CB 1.859 90 residues pruned to eliminate duplicates Z: 89 93.920 2.407 0.870 0.745 0.966 0.727 CB 1.850 89 residues pruned to eliminate duplicates Z: 15 13.104 1.977 0.234 0.505 0.857 0.643 C 1.668 15 residues pruned to eliminate duplicates Z: 156 125.437 2.438 0.895 0.719 0.961 0.710 CB 1.862 156 residues pruned to eliminate duplicates Z: 130 105.506 2.393 0.875 0.716 0.946 0.674 CB 1.801 130 residues pruned to eliminate duplicates Z: 94 78.732 2.371 0.699 0.696 0.925 0.720 CB 1.832 94 residues pruned to eliminate duplicates Z: 153 117.097 2.396 0.886 0.719 0.967 0.678 CB 1.782 153 residues pruned to eliminate duplicates Z: 90 91.429 2.396 0.895 0.722 0.966 0.708 CB 1.808 90 residues pruned to eliminate duplicates Z: 94 89.480 2.380 0.854 0.715 0.968 0.699 CB 1.788 94 residues pruned to eliminate duplicates Z: 95 86.021 2.356 0.851 0.705 0.957 0.691 CB 1.763 95 residues pruned to eliminate duplicates Z: 31 39.949 2.243 0.780 0.596 0.967 0.667 CB 1.725 31 residues pruned to eliminate duplicates Z: 32 38.927 2.240 0.769 0.562 0.935 0.710 CB 1.775 32 residues pruned to eliminate duplicates Z: 30 40.495 2.276 0.803 0.622 0.966 0.690 CB 1.691 30 residues pruned to eliminate duplicates Z: 6 8.094 2.082 0.557 0.398 0.800 0.400 CA 1.555 6 residues pruned to eliminate duplicates Z: 41 50.887 2.415 0.777 0.603 0.925 0.625 CB 1.838 41 residues pruned to eliminate duplicates Z: 58 59.712 2.341 0.757 0.670 0.912 0.702 CB 1.802 58 residues pruned to eliminate duplicates Z: 29 42.485 2.341 0.699 0.621 1.000 0.643 CB 1.800 29 residues pruned to eliminate duplicates Z: 37 37.739 2.313 0.617 0.572 0.917 0.667 CB 1.712 37 residues pruned to eliminate duplicates Z: 38 39.892 2.347 0.581 0.585 0.919 0.703 CB 1.773 37 residues pruned to eliminate duplicates Z: 6 9.492 1.982 0.449 0.744 0.800 0.800 CA 1.485 6 residues pruned to eliminate duplicates Z: 42 51.055 2.397 0.708 0.602 0.951 0.537 CB 1.858 43 residues pruned to eliminate duplicates Z: 22 32.659 2.226 0.597 0.799 0.952 0.810 CB 1.620 22 residues pruned to eliminate duplicates Z: 31 37.453 2.249 0.770 0.580 0.900 0.633 CB 1.768 31 residues pruned to eliminate duplicates Z: 55 61.368 2.406 0.716 0.645 0.944 0.574 CB 1.871 55 residues pruned to eliminate duplicates Z: 29 46.131 2.357 0.815 0.669 0.964 0.786 CB 1.807 29 residues pruned to eliminate duplicates Z: 181 122.066 2.421 0.745 0.707 0.967 0.706 CB 1.847 181 residues pruned to eliminate duplicates Z: 29 45.734 2.336 0.862 0.617 0.964 0.607 CB 1.844 29 residues pruned to eliminate duplicates Z: 14 44.157 2.316 1.017 0.937 1.000 0.846 CB 1.824 14 residues pruned to eliminate duplicates Z: 29 41.479 2.299 0.840 0.615 0.929 0.679 CB 1.789 29 residues pruned to eliminate duplicates Z: 29 42.161 2.335 0.789 0.625 0.929 0.643 CB 1.826 29 residues pruned to eliminate duplicates Z: 38 41.523 2.314 0.733 0.556 0.946 0.676 CB 1.703 38 residues pruned to eliminate duplicates Z: 28 47.925 2.372 0.909 0.638 1.000 0.630 CB 1.790 28 residues pruned to eliminate duplicates Z: 30 38.096 2.251 0.740 0.646 0.897 0.621 CB 1.758 29 residues pruned to eliminate duplicates Z: 16 38.800 2.223 1.013 0.921 0.933 0.733 CB 1.688 16 residues pruned to eliminate duplicates Z: 57 60.022 2.350 0.760 0.624 0.911 0.625 CB 1.893 58 residues pruned to eliminate duplicates Z: 16 33.557 2.284 0.855 0.812 0.933 0.533 CB 1.670 16 residues pruned to eliminate duplicates Z: 146 94.230 2.401 0.652 0.661 0.931 0.669 CB 1.826 146 residues pruned to eliminate duplicates Z: 57 53.530 2.339 0.696 0.596 0.893 0.607 CB 1.843 57 residues pruned to eliminate duplicates Z: 27 45.948 2.416 0.858 0.690 0.923 0.538 CA 1.827 27 residues pruned to eliminate duplicates Z: 58 54.900 2.378 0.539 0.630 0.965 0.614 CB 1.822 58 residues pruned to eliminate duplicates Z: 37 45.250 2.377 0.724 0.556 0.972 0.556 CB 1.792 37 residues pruned to eliminate duplicates Z: 58 60.271 2.385 0.647 0.663 0.947 0.614 CB 1.845 58 residues pruned to eliminate duplicates Z: 44 42.253 2.332 0.570 0.569 0.930 0.488 CB 1.769 44 residues pruned to eliminate duplicates Z: 43 42.549 2.363 0.613 0.575 0.905 0.500 CB 1.772 43 residues pruned to eliminate duplicates Z: 155 108.465 2.405 0.733 0.697 0.961 0.701 CB 1.823 155 residues pruned to eliminate duplicates Z: 110 80.339 2.394 0.627 0.651 0.936 0.697 CB 1.834 110 residues pruned to eliminate duplicates Z: 120 84.076 2.391 0.635 0.662 0.916 0.655 CB 1.852 120 residues pruned to eliminate duplicates Z: 184 117.651 2.437 0.694 0.689 0.962 0.705 CB 1.843 184 residues pruned to eliminate duplicates Z: 28 38.417 2.375 0.599 0.673 0.926 0.519 CA 1.793 28 residues pruned to eliminate duplicates Z: 57 58.052 2.339 0.629 0.645 0.946 0.714 CA 1.880 57 residues pruned to eliminate duplicates Z: 57 62.312 2.389 0.698 0.640 0.964 0.607 CB 1.868 57 residues pruned to eliminate duplicates Z: 16 33.715 2.214 0.886 0.750 0.933 0.667 CA 1.787 16 residues pruned to eliminate duplicates Z: 18 35.932 2.322 0.744 0.835 0.941 0.824 CB 1.713 18 residues pruned to eliminate duplicates Z: 19 36.287 2.347 0.603 0.790 0.944 0.944 CA 1.866 19 residues pruned to eliminate duplicates Z: 17 44.478 2.414 0.795 0.930 1.000 0.812 CB 1.794 17 residues pruned to eliminate duplicates Z: 68 68.251 2.386 0.709 0.722 0.940 0.701 CB 1.780 68 residues pruned to eliminate duplicates Z: 57 68.143 2.403 0.819 0.665 0.964 0.643 CB 1.854 57 residues pruned to eliminate duplicates Z: 60 60.954 2.362 0.686 0.651 0.949 0.610 CB 1.823 60 residues pruned to eliminate duplicates Z: 143 112.213 2.447 0.752 0.739 0.958 0.768 CB 1.851 143 residues pruned to eliminate duplicates Z: 31 45.468 2.311 0.824 0.647 0.933 0.567 CA 1.840 31 residues pruned to eliminate duplicates Z: 17 48.032 2.376 0.922 0.893 1.000 0.938 CB 1.888 17 residues pruned to eliminate duplicates Z: 161 108.789 2.421 0.726 0.696 0.938 0.731 CB 1.835 161 residues pruned to eliminate duplicates Z: 17 43.077 2.396 0.784 0.876 1.000 0.812 CB 1.831 17 residues pruned to eliminate duplicates Z: 75 70.190 2.394 0.681 0.686 0.959 0.730 CB 1.782 75 residues pruned to eliminate duplicates Z: 132 112.043 2.451 0.831 0.725 0.954 0.718 CB 1.866 132 residues pruned to eliminate duplicates Z: 103 80.448 2.380 0.644 0.675 0.941 0.676 CB 1.841 103 residues pruned to eliminate duplicates Z: 109 94.283 2.440 0.764 0.703 0.963 0.731 CB 1.820 109 residues pruned to eliminate duplicates Z: 143 111.785 2.446 0.736 0.744 0.972 0.775 CB 1.827 143 residues pruned to eliminate duplicates Z: 107 86.500 2.402 0.665 0.722 0.962 0.708 CB 1.786 107 residues pruned to eliminate duplicates Z: 66 76.460 2.442 0.691 0.771 0.985 0.846 CB 1.836 66 residues pruned to eliminate duplicates Z: 113 87.227 2.405 0.710 0.682 0.964 0.732 CB 1.759 113 residues pruned to eliminate duplicates Z: 106 86.244 2.425 0.653 0.728 0.952 0.781 CB 1.796 106 residues pruned to eliminate duplicates Z: 128 98.417 2.439 0.699 0.723 0.929 0.764 CB 1.855 128 residues pruned to eliminate duplicates Z: 93 75.171 2.391 0.665 0.701 0.924 0.707 CB 1.775 93 residues pruned to eliminate duplicates Z: 87 72.176 2.398 0.622 0.724 0.942 0.709 CB 1.736 87 residues pruned to eliminate duplicates Z: 143 113.705 2.453 0.742 0.750 0.972 0.768 CB 1.838 143 residues pruned to eliminate duplicates Z: 67 72.832 2.430 0.669 0.767 0.970 0.758 CB 1.799 67 residues pruned to eliminate duplicates Z: 109 84.228 2.392 0.651 0.727 0.954 0.731 CB 1.754 109 residues pruned to eliminate duplicates Z: 71 74.739 2.431 0.732 0.737 0.943 0.729 CB 1.819 71 residues pruned to eliminate duplicates Z: 71 79.381 2.432 0.756 0.750 0.986 0.829 CB 1.804 71 residues pruned to eliminate duplicates Z: 100 80.928 2.357 0.796 0.639 0.949 0.677 CB 1.778 100 residues pruned to eliminate duplicates Z: 142 116.608 2.467 0.744 0.761 0.972 0.780 CB 1.863 142 residues pruned to eliminate duplicates Z: 106 91.455 2.418 0.716 0.736 0.962 0.800 CB 1.809 106 residues pruned to eliminate duplicates Z: 148 101.623 2.388 0.696 0.693 0.959 0.701 CB 1.809 148 residues pruned to eliminate duplicates Z: 45 55.792 2.350 0.885 0.700 0.955 0.636 CB 1.658 45 residues pruned to eliminate duplicates Z: 75 71.162 2.386 0.731 0.702 0.946 0.703 CB 1.763 75 residues pruned to eliminate duplicates Z: 88 84.405 2.426 0.730 0.715 0.966 0.759 CB 1.838 88 residues pruned to eliminate duplicates Z: 143 113.624 2.438 0.773 0.737 0.965 0.782 CB 1.849 143 residues pruned to eliminate duplicates Z: 74 74.108 2.401 0.718 0.727 0.986 0.781 CB 1.737 74 residues pruned to eliminate duplicates Z: 53 59.207 2.382 0.740 0.699 0.942 0.731 CB 1.752 53 residues pruned to eliminate duplicates Z: 104 90.653 2.453 0.624 0.750 0.981 0.767 CB 1.829 104 residues pruned to eliminate duplicates Z: 140 116.870 2.472 0.801 0.741 0.964 0.784 CB 1.862 140 residues pruned to eliminate duplicates Z: 67 78.135 2.420 0.793 0.775 0.970 0.848 CB 1.793 67 residues pruned to eliminate duplicates Z: 134 113.091 2.450 0.809 0.738 0.977 0.782 CB 1.828 134 residues pruned to eliminate duplicates Z: 141 109.910 2.460 0.742 0.744 0.950 0.814 CB 1.833 141 residues pruned to eliminate duplicates Z: 68 80.965 2.432 0.820 0.767 0.970 0.836 CB 1.818 68 residues pruned to eliminate duplicates Z: 56 71.762 2.432 0.840 0.784 0.964 0.818 CB 1.749 56 residues pruned to eliminate duplicates Z: 104 95.778 2.450 0.711 0.742 0.971 0.796 CB 1.868 104 residues pruned to eliminate duplicates Z: 99 85.703 2.371 0.760 0.711 0.929 0.694 CB 1.845 99 residues pruned to eliminate duplicates Z: 27 47.764 2.399 0.592 0.815 1.000 0.769 CB 1.865 27 residues pruned to eliminate duplicates Z: 106 93.936 2.417 0.816 0.725 0.962 0.695 CB 1.771 106 residues pruned to eliminate duplicates Z: 76 71.337 2.375 0.737 0.692 0.960 0.747 CB 1.745 76 residues pruned to eliminate duplicates Z: 84 75.782 2.373 0.726 0.685 0.964 0.795 CB 1.778 84 residues pruned to eliminate duplicates Z: 66 76.691 2.424 0.789 0.765 0.969 0.815 CB 1.789 66 residues pruned to eliminate duplicates Z: 95 84.156 2.416 0.701 0.706 0.957 0.713 CB 1.829 95 residues pruned to eliminate duplicates Z: 58 64.702 2.362 0.837 0.664 0.947 0.667 CB 1.791 58 residues pruned to eliminate duplicates Z: 89 82.611 2.411 0.724 0.708 0.943 0.705 CB 1.860 89 residues pruned to eliminate duplicates Z: 144 115.382 2.452 0.803 0.742 0.958 0.755 CB 1.834 144 residues pruned to eliminate duplicates Z: 144 113.503 2.447 0.771 0.735 0.972 0.748 CB 1.824 144 residues pruned to eliminate duplicates Z: 140 109.727 2.429 0.762 0.745 0.957 0.784 CB 1.826 140 residues pruned to eliminate duplicates Z: 130 102.010 2.423 0.760 0.709 0.961 0.721 CB 1.813 130 residues pruned to eliminate duplicates Z: 143 113.205 2.455 0.751 0.737 0.972 0.782 CB 1.839 143 residues pruned to eliminate duplicates Z: 71 77.612 2.410 0.794 0.749 0.957 0.800 CB 1.795 71 residues pruned to eliminate duplicates Z: 125 101.985 2.445 0.748 0.731 0.968 0.742 CB 1.799 125 residues pruned to eliminate duplicates Z: 141 110.090 2.438 0.782 0.725 0.964 0.757 CB 1.814 141 residues pruned to eliminate duplicates Z: 96 85.715 2.406 0.742 0.708 0.947 0.684 CB 1.832 75 residues pruned to eliminate duplicates Z: 19 45.732 2.356 0.940 0.882 1.000 0.889 CB 1.707 19 residues pruned to eliminate duplicates Z: 142 117.905 2.460 0.806 0.746 0.986 0.730 CB 1.820 142 residues pruned to eliminate duplicates Z: 135 108.560 2.444 0.796 0.740 0.948 0.761 CB 1.818 135 residues pruned to eliminate duplicates Z: 98 80.790 2.375 0.713 0.701 0.928 0.701 CB 1.810 98 residues pruned to eliminate duplicates Z: 107 95.569 2.409 0.830 0.730 0.962 0.745 CB 1.779 107 residues pruned to eliminate duplicates Z: 164 108.101 2.392 0.736 0.668 0.969 0.736 CB 1.800 164 residues pruned to eliminate duplicates Z: 184 125.807 2.432 0.817 0.687 0.956 0.694 CB 1.853 184 residues pruned to eliminate duplicates Z: 143 116.204 2.435 0.825 0.749 0.972 0.754 CB 1.808 143 residues pruned to eliminate duplicates Z: 144 116.196 2.431 0.794 0.748 0.972 0.748 CB 1.837 144 residues pruned to eliminate duplicates Z: 129 109.717 2.432 0.840 0.722 0.961 0.758 CB 1.845 129 residues pruned to eliminate duplicates Z: 75 83.886 2.427 0.821 0.738 0.946 0.743 CB 1.884 75 residues pruned to eliminate duplicates Z: 143 114.626 2.443 0.821 0.747 0.951 0.796 CB 1.824 143 residues pruned to eliminate duplicates Z: 106 90.421 2.415 0.736 0.725 0.981 0.743 CB 1.752 106 residues pruned to eliminate duplicates Z: 72 90.039 2.492 0.814 0.758 0.986 0.746 CB 1.906 72 residues pruned to eliminate duplicates Z: 143 115.564 2.447 0.813 0.749 0.972 0.761 CB 1.801 143 residues pruned to eliminate duplicates Z: 87 91.595 2.415 0.873 0.734 0.965 0.756 CB 1.833 87 residues pruned to eliminate duplicates Z: 106 96.068 2.428 0.779 0.736 0.971 0.733 CB 1.807 106 residues pruned to eliminate duplicates Z: 143 119.407 2.429 0.941 0.735 0.944 0.739 CB 1.823 143 residues pruned to eliminate duplicates Z: 143 118.583 2.433 0.868 0.728 0.972 0.761 CB 1.835 143 residues pruned to eliminate duplicates Z: 91 86.060 2.414 0.732 0.716 0.956 0.711 CB 1.867 91 residues pruned to eliminate duplicates Z: 94 80.737 2.393 0.683 0.676 0.935 0.731 CB 1.890 94 residues pruned to eliminate duplicates Z: 106 97.275 2.454 0.740 0.739 0.962 0.762 CB 1.866 106 residues pruned to eliminate duplicates Z: 106 102.894 2.450 0.788 0.741 0.981 0.743 CB 1.883 106 residues pruned to eliminate duplicates Z: 92 86.037 2.411 0.786 0.700 0.967 0.714 CB 1.804 92 residues pruned to eliminate duplicates Z: 74 86.743 2.448 0.837 0.751 0.945 0.767 CB 1.909 74 residues pruned to eliminate duplicates Z: 158 120.348 2.425 0.868 0.708 0.955 0.694 CB 1.838 158 residues pruned to eliminate duplicates Z: 127 112.592 2.464 0.834 0.732 0.968 0.770 CB 1.861 127 residues pruned to eliminate duplicates Z: 68 89.842 2.508 0.892 0.773 0.955 0.791 CB 1.902 68 residues pruned to eliminate duplicates Z: 130 107.037 2.418 0.824 0.715 0.961 0.698 CB 1.830 130 residues pruned to eliminate duplicates Z: 129 99.062 2.392 0.817 0.691 0.945 0.727 CB 1.789 129 residues pruned to eliminate duplicates Z: 130 109.285 2.428 0.835 0.718 0.969 0.713 CB 1.829 130 residues pruned to eliminate duplicates Z: 72 90.061 2.474 0.815 0.769 0.986 0.789 CB 1.902 72 residues pruned to eliminate duplicates Z: 91 85.642 2.410 0.747 0.722 0.956 0.678 CB 1.835 91 residues pruned to eliminate duplicates Z: 142 120.652 2.459 0.830 0.758 0.972 0.823 CB 1.846 142 residues pruned to eliminate duplicates Z: 143 117.738 2.455 0.798 0.760 0.979 0.796 CB 1.815 143 residues pruned to eliminate duplicates Z: 28 62.904 2.515 0.942 0.829 0.926 0.815 CB 2.014 28 residues pruned to eliminate duplicates Z: 128 111.382 2.447 0.852 0.733 0.976 0.748 CB 1.812 128 residues pruned to eliminate duplicates Z: 29 75.450 2.500 1.082 0.850 1.000 0.893 CB 2.030 29 residues pruned to eliminate duplicates Z: 73 93.189 2.475 0.886 0.768 0.972 0.778 CB 1.908 73 residues pruned to eliminate duplicates Z: 143 118.771 2.457 0.848 0.745 0.972 0.683 CB 1.815 143 residues pruned to eliminate duplicates Z: 166 121.926 2.420 0.882 0.701 0.945 0.709 CB 1.834 166 residues pruned to eliminate duplicates Z: 98 85.697 2.386 0.787 0.686 0.948 0.722 CB 1.814 98 residues pruned to eliminate duplicates Z: 97 91.891 2.385 0.834 0.725 0.969 0.677 CB 1.806 97 residues pruned to eliminate duplicates Z: 143 119.192 2.447 0.858 0.759 0.958 0.775 CB 1.823 143 residues pruned to eliminate duplicates Z: 73 94.271 2.476 0.915 0.759 0.986 0.750 CB 1.888 73 residues pruned to eliminate duplicates Z: 143 120.367 2.447 0.884 0.757 0.951 0.768 CB 1.833 143 residues pruned to eliminate duplicates Z: 143 121.265 2.456 0.875 0.754 0.965 0.782 CB 1.827 143 residues pruned to eliminate duplicates Z: 184 130.185 2.417 0.915 0.706 0.940 0.689 CB 1.834 184 residues pruned to eliminate duplicates Z: 27 79.556 2.438 1.511 0.924 0.923 0.808 CB 1.939 27 residues pruned to eliminate duplicates Z: 142 124.599 2.463 0.863 0.760 0.979 0.787 CB 1.855 142 residues pruned to eliminate duplicates Z: 81 82.747 2.414 0.933 0.732 0.900 0.713 CB 1.788 81 residues pruned to eliminate duplicates Z: 108 99.339 2.404 0.913 0.729 0.925 0.738 CB 1.837 108 residues pruned to eliminate duplicates Z: 143 126.700 2.462 0.898 0.752 0.979 0.775 CB 1.857 143 residues pruned to eliminate duplicates Z: 129 111.668 2.437 0.908 0.725 0.961 0.695 CB 1.803 129 residues pruned to eliminate duplicates Z: 128 112.692 2.446 0.877 0.730 0.969 0.748 CB 1.827 128 residues pruned to eliminate duplicates Z: 129 110.128 2.434 0.894 0.724 0.945 0.711 CB 1.825 129 residues pruned to eliminate duplicates Z: 97 90.163 2.404 0.818 0.725 0.948 0.760 CB 1.813 97 residues pruned to eliminate duplicates Z: 144 122.023 2.438 0.899 0.745 0.979 0.734 CB 1.808 144 residues pruned to eliminate duplicates Z: 130 119.080 2.437 0.952 0.732 0.977 0.752 CB 1.831 130 residues pruned to eliminate duplicates Z: 131 108.213 2.415 0.888 0.703 0.938 0.700 CB 1.844 131 residues pruned to eliminate duplicates Z: 142 121.960 2.454 0.903 0.743 0.965 0.752 CB 1.835 142 residues pruned to eliminate duplicates Z: 142 123.586 2.459 0.868 0.759 0.972 0.759 CB 1.853 142 residues pruned to eliminate duplicates Z: 144 119.170 2.438 0.858 0.750 0.965 0.797 CB 1.823 144 residues pruned to eliminate duplicates Z: 129 110.730 2.441 0.879 0.726 0.961 0.734 CB 1.813 129 residues pruned to eliminate duplicates Z: 20 13.774 1.938 0.285 0.521 0.895 0.579 CB 1.388 20 residues pruned to eliminate duplicates Z: 184 127.007 2.406 0.870 0.701 0.956 0.694 CB 1.816 184 residues pruned to eliminate duplicates Z: 7 7.535 2.026 -0.018 0.862 0.833 0.500 CA 1.363 7 residues pruned to eliminate duplicates Z: 39 75.394 2.450 1.085 0.787 0.974 0.789 CB 1.910 39 residues pruned to eliminate duplicates Z: 39 74.357 2.452 1.090 0.776 0.974 0.711 CB 1.894 39 residues pruned to eliminate duplicates 368 residues left after pruning, divided into chains as follows: A: 184 B: 184 CC for partial structure against native data = 42.53 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.508, Connect. = 0.810 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.823 for dens.mod. cycle 2 = 0.300, Contrast = 0.693, Connect. = 0.847 for dens.mod. cycle 3 = 0.300, Contrast = 0.701, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.713, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.718, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.724, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.727, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.730, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.732, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2591 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 591 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 69.648 2.450 1.018 0.905 1.000 0.923 CB 1.967 B: 18 58.837 2.505 1.066 0.944 1.000 0.882 CB 1.910 C: 17 51.463 2.479 1.050 0.934 1.000 1.000 CB 1.766 D: 27 75.582 2.460 1.177 0.926 1.000 0.923 CB 1.942 27 residues pruned to eliminate duplicates E: 17 37.351 2.465 0.608 0.860 0.938 0.812 CB 1.848 F: 18 40.200 2.417 0.649 0.891 0.941 0.882 CB 1.868 G: 18 42.506 2.385 0.711 0.916 1.000 0.765 CB 1.784 17 residues pruned to eliminate duplicates H: 27 71.317 2.452 1.064 0.908 1.000 0.846 CB 1.963 27 residues pruned to eliminate duplicates I: 17 45.058 2.425 0.904 0.891 0.938 0.875 CB 1.870 J: 27 71.712 2.499 1.200 0.919 0.962 0.846 CB 1.874 18 residues pruned to eliminate duplicates K: 18 39.563 2.338 0.536 0.930 1.000 0.882 CA 1.869 18 residues pruned to eliminate duplicates L: 16 38.316 2.351 0.577 0.911 1.000 1.000 CB 1.891 M: 19 48.838 2.267 0.890 0.900 1.000 0.889 CA 1.920 17 residues pruned to eliminate duplicates N: 27 75.503 2.457 1.251 0.943 0.962 0.808 CB 1.930 27 residues pruned to eliminate duplicates O: 27 69.416 2.483 1.294 0.914 0.923 0.808 CB 1.831 27 residues pruned to eliminate duplicates P: 27 74.317 2.441 1.172 0.918 1.000 0.808 CB 1.939 27 residues pruned to eliminate duplicates Q: 27 75.441 2.474 1.370 0.932 0.962 0.692 CB 1.832 27 residues pruned to eliminate duplicates R: 18 47.890 2.364 0.919 0.938 1.000 1.000 CB 1.780 S: 17 51.015 2.404 1.011 0.937 1.000 0.875 CB 1.837 16 residues pruned to eliminate duplicates T: 16 45.994 2.505 0.748 0.941 1.000 0.933 CB 1.881 18 residues pruned to eliminate duplicates U: 18 46.992 2.332 0.861 0.940 1.000 0.882 CA 1.824 18 residues pruned to eliminate duplicates V: 26 84.790 2.549 1.273 0.936 1.000 0.760 CB 2.039 27 residues pruned to eliminate duplicates W: 19 42.178 2.316 0.774 0.906 1.000 0.778 CB 1.721 19 residues pruned to eliminate duplicates X: 18 46.437 2.377 0.674 0.927 1.000 0.941 CA 1.983 19 residues pruned to eliminate duplicates Y: 18 47.943 2.444 0.759 0.936 1.000 0.882 CB 1.884 18 residues pruned to eliminate duplicates Z: 14 29.142 2.358 0.313 0.937 1.000 0.846 CB 1.817 Z: 18 45.261 2.388 0.833 0.895 1.000 0.882 CB 1.798 18 residues pruned to eliminate duplicates Z: 15 33.785 2.379 0.623 0.905 0.929 0.786 CB 1.793 14 residues pruned to eliminate duplicates Z: 19 47.066 2.283 0.846 0.908 1.000 0.722 CA 1.870 Z: 17 43.733 2.418 0.739 0.906 1.000 0.812 CB 1.849 18 residues pruned to eliminate duplicates Z: 16 45.974 2.417 0.725 0.916 1.000 0.867 CA 2.009 16 residues pruned to eliminate duplicates Z: 16 47.433 2.560 0.609 0.945 1.000 1.000 CB 2.057 18 residues pruned to eliminate duplicates Z: 19 57.398 2.414 0.995 0.924 1.000 0.889 CB 1.973 19 residues pruned to eliminate duplicates Z: 17 41.546 2.433 0.825 0.873 0.938 0.750 CB 1.817 18 residues pruned to eliminate duplicates Z: 27 61.083 2.489 0.874 0.919 1.000 0.846 CB 1.810 27 residues pruned to eliminate duplicates Z: 19 37.370 2.276 0.614 0.901 1.000 0.833 CA 1.712 19 residues pruned to eliminate duplicates Z: 27 76.779 2.478 1.326 0.890 0.962 0.692 C 1.954 27 residues pruned to eliminate duplicates Z: 17 41.311 2.468 0.838 0.921 0.938 0.938 CB 1.709 17 residues pruned to eliminate duplicates Z: 15 31.747 2.323 0.518 0.942 1.000 0.857 CB 1.668 15 residues pruned to eliminate duplicates Z: 27 61.284 2.469 0.978 0.913 0.962 0.923 CB 1.811 27 residues pruned to eliminate duplicates Z: 18 49.269 2.426 0.749 0.938 1.000 0.882 CA 1.958 19 residues pruned to eliminate duplicates Z: 17 35.432 2.315 0.434 0.876 1.000 0.750 C 1.940 17 residues pruned to eliminate duplicates Z: 18 42.298 2.430 0.730 0.944 0.941 0.941 CB 1.795 17 residues pruned to eliminate duplicates Z: 18 43.492 2.362 0.677 0.907 1.000 0.824 CB 1.893 17 residues pruned to eliminate duplicates Z: 22 41.976 2.329 0.709 0.825 1.000 0.762 CB 1.737 22 residues pruned to eliminate duplicates Z: 27 54.649 2.490 0.702 0.910 0.962 0.923 CB 1.866 27 residues pruned to eliminate duplicates Z: 27 48.239 2.435 0.582 0.908 0.962 0.923 CB 1.814 27 residues pruned to eliminate duplicates Z: 16 58.458 2.434 1.169 0.953 1.000 0.867 CA 1.967 18 residues pruned to eliminate duplicates Z: 17 45.732 2.417 0.770 0.936 1.000 0.875 CB 1.862 17 residues pruned to eliminate duplicates Z: 27 74.919 2.443 1.201 0.899 1.000 0.808 CB 1.953 27 residues pruned to eliminate duplicates Z: 17 32.693 2.309 0.450 0.896 1.000 0.750 CA 1.749 17 residues pruned to eliminate duplicates Z: 11 19.640 2.179 0.592 0.689 0.900 0.500 CA 1.672 Z: 17 45.205 2.342 0.884 0.940 1.000 0.875 CA 1.779 17 residues pruned to eliminate duplicates Z: 22 48.586 2.464 0.763 0.826 0.952 0.714 CB 1.933 17 residues pruned to eliminate duplicates Z: 16 45.133 2.381 0.960 0.918 0.933 0.733 CB 1.886 16 residues pruned to eliminate duplicates Z: 18 50.934 2.422 1.001 0.926 1.000 0.882 CB 1.787 15 residues pruned to eliminate duplicates Z: 17 35.638 2.466 0.576 0.868 0.938 0.812 CB 1.787 17 residues pruned to eliminate duplicates Z: 27 52.874 2.485 0.658 0.915 0.962 0.885 CB 1.850 27 residues pruned to eliminate duplicates Z: 26 60.595 2.529 0.877 0.912 0.920 0.840 CB 1.966 26 residues pruned to eliminate duplicates Z: 18 44.157 2.390 0.649 0.920 1.000 0.941 C 1.914 18 residues pruned to eliminate duplicates Z: 17 42.691 2.381 0.742 0.895 1.000 0.875 CA 1.844 16 residues pruned to eliminate duplicates Z: 15 46.620 2.451 0.948 0.928 1.000 0.929 CA 1.827 15 residues pruned to eliminate duplicates Z: 26 66.961 2.571 0.755 0.929 1.000 1.000 CB 2.077 26 residues pruned to eliminate duplicates Z: 18 36.905 2.374 0.506 0.915 1.000 1.000 CB 1.770 18 residues pruned to eliminate duplicates Z: 19 48.626 2.295 0.896 0.927 1.000 0.889 CB 1.846 19 residues pruned to eliminate duplicates Z: 17 43.745 2.376 0.872 0.908 0.938 0.812 CB 1.863 17 residues pruned to eliminate duplicates Z: 19 46.772 2.302 0.956 0.875 0.944 0.889 CA 1.886 19 residues pruned to eliminate duplicates Z: 26 81.250 2.552 1.190 0.937 1.000 0.960 CB 2.023 26 residues pruned to eliminate duplicates Z: 26 80.351 2.556 1.321 0.943 1.000 0.840 CB 1.878 27 residues pruned to eliminate duplicates Z: 17 38.900 2.358 0.605 0.933 1.000 1.000 CA 1.793 17 residues pruned to eliminate duplicates Z: 17 41.310 2.337 0.803 0.901 1.000 0.938 CA 1.750 17 residues pruned to eliminate duplicates Z: 27 81.687 2.423 1.369 0.936 1.000 0.654 CB 1.943 27 residues pruned to eliminate duplicates Z: 14 30.360 2.260 0.593 0.928 1.000 1.000 CB 1.637 14 residues pruned to eliminate duplicates Z: 16 40.286 2.425 0.570 0.917 1.000 1.000 CB 1.928 17 residues pruned to eliminate duplicates Z: 27 60.682 2.475 0.925 0.921 0.962 0.923 CB 1.828 27 residues pruned to eliminate duplicates Z: 18 44.278 2.421 0.680 0.884 1.000 0.882 CB 1.908 18 residues pruned to eliminate duplicates Z: 27 67.405 2.486 1.229 0.925 0.923 0.731 CB 1.814 27 residues pruned to eliminate duplicates Z: 16 34.466 2.405 0.399 0.928 1.000 1.000 CB 1.852 Z: 18 46.149 2.409 0.814 0.937 1.000 0.882 CB 1.783 18 residues pruned to eliminate duplicates Z: 17 52.344 2.475 0.852 0.945 1.000 0.875 CB 1.977 17 residues pruned to eliminate duplicates Z: 18 45.448 2.405 0.632 0.932 1.000 0.824 CB 1.961 18 residues pruned to eliminate duplicates Z: 19 54.713 2.400 1.039 0.942 1.000 0.722 CB 1.828 19 residues pruned to eliminate duplicates Z: 18 42.854 2.381 0.909 0.938 0.941 0.882 CB 1.690 18 residues pruned to eliminate duplicates Z: 18 44.837 2.414 0.693 0.940 1.000 0.941 CB 1.848 18 residues pruned to eliminate duplicates Z: 16 51.384 2.453 0.876 0.947 1.000 0.933 CB 1.992 16 residues pruned to eliminate duplicates Z: 17 40.432 2.452 0.709 0.929 1.000 1.000 CB 1.688 17 residues pruned to eliminate duplicates Z: 26 82.363 2.522 1.250 0.944 1.000 0.960 CB 2.010 26 residues pruned to eliminate duplicates Z: 26 73.378 2.578 0.929 0.927 1.000 0.960 CB 2.068 26 residues pruned to eliminate duplicates Z: 15 35.441 2.356 0.600 0.938 1.000 0.857 CB 1.747 15 residues pruned to eliminate duplicates Z: 18 43.120 2.383 0.787 0.919 1.000 0.941 CB 1.730 18 residues pruned to eliminate duplicates Z: 17 44.021 2.465 0.557 0.919 1.000 0.875 CA 2.021 17 residues pruned to eliminate duplicates Z: 18 51.571 2.392 0.944 0.912 1.000 0.941 CB 1.905 18 residues pruned to eliminate duplicates Z: 16 41.668 2.398 0.659 0.907 1.000 0.800 CB 1.921 16 residues pruned to eliminate duplicates Z: 18 39.071 2.368 0.655 0.891 1.000 0.941 CB 1.738 18 residues pruned to eliminate duplicates Z: 18 46.833 2.366 0.989 0.893 1.000 0.941 CB 1.733 18 residues pruned to eliminate duplicates Z: 17 43.689 2.364 0.745 0.929 1.000 0.938 CA 1.852 16 residues pruned to eliminate duplicates Z: 17 34.167 2.318 0.432 0.914 1.000 0.875 CB 1.820 17 residues pruned to eliminate duplicates Z: 17 38.702 2.361 0.525 0.926 1.000 1.000 CB 1.885 16 residues pruned to eliminate duplicates Z: 27 71.015 2.470 1.318 0.940 0.923 0.769 CB 1.830 27 residues pruned to eliminate duplicates Z: 17 39.425 2.448 0.608 0.942 1.000 0.938 CB 1.736 17 residues pruned to eliminate duplicates Z: 17 37.185 2.340 0.656 0.898 0.938 0.812 CB 1.830 17 residues pruned to eliminate duplicates Z: 16 40.595 2.427 0.567 0.922 1.000 0.933 CB 1.938 17 residues pruned to eliminate duplicates Z: 27 76.651 2.436 1.226 0.927 1.000 0.885 CB 1.943 27 residues pruned to eliminate duplicates Z: 17 35.655 2.394 0.669 0.906 1.000 0.938 CB 1.587 17 residues pruned to eliminate duplicates Z: 27 60.480 2.459 0.959 0.883 0.962 0.808 CB 1.852 27 residues pruned to eliminate duplicates Z: 17 44.605 2.381 0.777 0.932 1.000 0.812 CB 1.840 17 residues pruned to eliminate duplicates Z: 6 6.295 1.879 0.452 0.854 0.800 0.400 CB 0.953 Z: 16 34.236 2.386 0.490 0.928 1.000 1.000 CB 1.740 16 residues pruned to eliminate duplicates Z: 17 33.923 2.432 0.404 0.909 1.000 0.875 CB 1.763 17 residues pruned to eliminate duplicates Z: 18 48.277 2.423 1.012 0.915 1.000 0.941 CB 1.697 18 residues pruned to eliminate duplicates Z: 25 57.617 2.510 0.897 0.914 0.917 0.875 CB 1.906 25 residues pruned to eliminate duplicates Z: 19 40.139 2.283 0.624 0.925 1.000 0.889 CB 1.791 19 residues pruned to eliminate duplicates Z: 17 40.813 2.366 0.612 0.915 1.000 0.938 CB 1.892 17 residues pruned to eliminate duplicates Z: 19 54.674 2.389 0.951 0.902 1.000 0.833 CB 1.972 19 residues pruned to eliminate duplicates Z: 27 74.266 2.450 1.286 0.921 0.923 0.769 CB 1.983 27 residues pruned to eliminate duplicates Z: 11 24.216 2.147 0.451 0.907 1.000 0.800 C 1.747 Z: 26 82.590 2.519 1.267 0.958 1.000 0.800 CB 1.984 26 residues pruned to eliminate duplicates Z: 11 17.109 2.264 0.310 0.673 0.900 0.400 CA 1.728 Z: 6 5.345 1.977 0.212 0.534 0.600 0.600 CB 1.608 Z: 27 52.717 2.473 0.770 0.908 0.923 0.923 CB 1.817 27 residues pruned to eliminate duplicates Z: 26 61.197 2.565 0.835 0.923 0.960 0.880 CB 1.903 26 residues pruned to eliminate duplicates Z: 18 34.709 2.248 0.673 0.903 1.000 0.941 CB 1.595 18 residues pruned to eliminate duplicates Z: 18 42.099 2.412 0.605 0.943 1.000 0.941 CB 1.828 18 residues pruned to eliminate duplicates Z: 18 43.558 2.431 0.629 0.888 1.000 0.882 CA 1.922 18 residues pruned to eliminate duplicates Z: 18 33.949 2.344 0.492 0.857 1.000 0.882 CB 1.734 18 residues pruned to eliminate duplicates Z: 18 41.444 2.331 0.710 0.921 1.000 0.765 CB 1.775 18 residues pruned to eliminate duplicates Z: 18 41.095 2.377 0.529 0.918 1.000 0.824 CB 1.934 18 residues pruned to eliminate duplicates Z: 14 31.091 2.373 0.400 0.938 1.000 0.846 CB 1.805 14 residues pruned to eliminate duplicates Z: 18 39.873 2.360 0.662 0.899 0.941 0.882 CB 1.873 18 residues pruned to eliminate duplicates Z: 19 31.502 2.208 0.712 0.918 1.000 0.944 CB 1.385 19 residues pruned to eliminate duplicates Z: 11 20.822 2.233 0.215 0.899 1.000 0.900 CB 1.735 12 residues pruned to eliminate duplicates Z: 27 87.460 2.473 1.430 0.936 1.000 0.846 CB 1.987 27 residues pruned to eliminate duplicates Z: 17 51.999 2.446 0.869 0.951 1.000 0.750 CB 1.960 17 residues pruned to eliminate duplicates Z: 27 70.067 2.489 1.192 0.915 0.962 0.769 CB 1.851 27 residues pruned to eliminate duplicates Z: 18 40.775 2.316 0.570 0.925 1.000 1.000 CB 1.909 18 residues pruned to eliminate duplicates Z: 18 45.669 2.395 0.917 0.920 1.000 1.000 CB 1.699 18 residues pruned to eliminate duplicates Z: 7 15.653 1.806 0.663 0.847 1.000 0.500 CA 1.579 6 residues pruned to eliminate duplicates Z: 19 42.607 2.266 0.641 0.916 1.000 0.944 CB 1.908 19 residues pruned to eliminate duplicates Z: 19 41.607 2.279 0.621 0.907 1.000 0.944 CB 1.887 19 residues pruned to eliminate duplicates Z: 27 59.663 2.439 0.955 0.888 0.962 0.962 CB 1.839 27 residues pruned to eliminate duplicates Z: 17 39.801 2.305 0.576 0.919 1.000 0.938 CA 1.930 17 residues pruned to eliminate duplicates Z: 12 22.999 2.278 0.410 0.881 1.000 0.727 CB 1.563 6 residues pruned to eliminate duplicates Z: 17 34.406 2.306 0.432 0.908 1.000 0.938 CB 1.849 16 residues pruned to eliminate duplicates Z: 18 44.881 2.324 0.871 0.930 1.000 0.824 CB 1.751 18 residues pruned to eliminate duplicates Z: 9 21.319 2.347 0.228 0.932 1.000 1.000 CB 1.826 9 residues pruned to eliminate duplicates Z: 17 38.546 2.329 0.535 0.914 1.000 0.938 CA 1.905 17 residues pruned to eliminate duplicates Z: 18 39.293 2.297 0.882 0.891 0.941 0.647 CB 1.685 18 residues pruned to eliminate duplicates Z: 19 50.987 2.403 0.976 0.914 0.944 0.944 CB 1.896 19 residues pruned to eliminate duplicates Z: 18 46.342 2.404 0.902 0.934 1.000 0.941 CB 1.715 18 residues pruned to eliminate duplicates Z: 7 8.845 1.884 0.412 0.656 0.833 0.500 CA 1.410 7 residues pruned to eliminate duplicates Z: 40 67.569 2.485 0.952 0.776 0.923 0.744 CB 1.894 29 residues pruned to eliminate duplicates Z: 23 41.215 2.353 0.576 0.839 0.955 0.909 CB 1.854 22 residues pruned to eliminate duplicates Z: 27 67.323 2.446 0.951 0.912 1.000 0.846 CB 1.959 27 residues pruned to eliminate duplicates Z: 18 33.459 2.264 0.606 0.920 1.000 0.941 CB 1.571 18 residues pruned to eliminate duplicates Z: 15 17.387 2.121 -0.014 0.905 1.000 0.786 CB 1.581 Z: 16 46.891 2.481 0.883 0.919 0.933 0.933 C 1.956 16 residues pruned to eliminate duplicates Z: 18 38.992 2.169 0.814 0.930 1.000 1.000 CA 1.680 18 residues pruned to eliminate duplicates Z: 11 16.770 2.270 0.014 0.763 1.000 0.500 CA 1.825 11 residues pruned to eliminate duplicates Z: 11 19.041 2.038 0.350 0.923 1.000 0.800 CB 1.539 10 residues pruned to eliminate duplicates Z: 11 18.332 2.189 0.126 0.865 1.000 0.900 CB 1.724 Z: 16 38.669 2.527 0.507 0.902 1.000 0.867 CB 1.870 16 residues pruned to eliminate duplicates Z: 27 71.980 2.466 1.271 0.908 0.962 0.769 CB 1.862 27 residues pruned to eliminate duplicates Z: 27 70.129 2.481 1.239 0.901 1.000 0.808 CB 1.768 27 residues pruned to eliminate duplicates Z: 13 39.533 2.477 0.676 0.930 1.000 0.917 CB 1.922 13 residues pruned to eliminate duplicates Z: 14 35.371 2.362 0.634 0.934 1.000 0.769 CB 1.773 14 residues pruned to eliminate duplicates Z: 16 57.398 2.428 1.168 0.953 1.000 0.867 CB 1.938 16 residues pruned to eliminate duplicates Z: 17 39.869 2.356 0.676 0.907 1.000 0.875 CA 1.794 17 residues pruned to eliminate duplicates Z: 11 22.071 2.145 0.498 0.883 1.000 0.700 C 1.571 11 residues pruned to eliminate duplicates Z: 10 26.529 2.172 0.577 0.924 1.000 0.889 CA 1.813 10 residues pruned to eliminate duplicates Z: 26 75.927 2.575 1.185 0.937 0.960 0.840 CB 1.957 26 residues pruned to eliminate duplicates Z: 105 90.794 2.348 0.824 0.697 0.971 0.635 CB 1.788 88 residues pruned to eliminate duplicates Z: 6 8.688 1.963 0.318 0.836 0.800 0.600 CA 1.405 6 residues pruned to eliminate duplicates Z: 18 39.771 2.424 0.576 0.865 0.941 0.824 CA 1.965 18 residues pruned to eliminate duplicates Z: 18 40.816 2.402 0.528 0.948 1.000 1.000 CB 1.863 18 residues pruned to eliminate duplicates Z: 14 21.818 2.158 0.200 0.936 1.000 0.923 CB 1.627 15 residues pruned to eliminate duplicates Z: 18 48.997 2.388 0.779 0.923 1.000 0.882 CB 1.966 18 residues pruned to eliminate duplicates Z: 17 36.896 2.312 0.515 0.923 1.000 1.000 CB 1.851 17 residues pruned to eliminate duplicates Z: 17 40.593 2.415 0.669 0.900 0.938 0.938 CB 1.918 17 residues pruned to eliminate duplicates Z: 15 12.965 1.967 0.240 0.677 0.786 0.643 CA 1.537 Z: 13 18.132 2.017 0.415 0.887 1.000 0.833 CB 1.322 13 residues pruned to eliminate duplicates Z: 17 39.300 2.300 0.602 0.908 1.000 0.938 CA 1.893 17 residues pruned to eliminate duplicates Z: 10 19.957 2.138 0.538 0.861 0.889 0.778 C 1.672 10 residues pruned to eliminate duplicates Z: 10 19.356 2.190 0.120 0.937 1.000 1.000 CB 1.831 10 residues pruned to eliminate duplicates Z: 6 12.726 2.018 0.717 0.710 1.000 0.600 CB 1.357 6 residues pruned to eliminate duplicates Z: 17 34.642 2.439 0.501 0.923 1.000 1.000 CB 1.662 17 residues pruned to eliminate duplicates Z: 12 16.008 2.125 0.106 0.817 0.909 0.818 CB 1.715 12 residues pruned to eliminate duplicates Z: 6 7.600 1.922 0.233 0.694 1.000 0.600 CB 1.201 Z: 11 16.444 2.007 0.208 0.916 1.000 1.000 CA 1.514 11 residues pruned to eliminate duplicates Z: 26 64.338 2.526 0.772 0.920 1.000 0.920 CB 2.025 26 residues pruned to eliminate duplicates Z: 18 39.566 2.380 0.516 0.939 1.000 0.941 CB 1.848 18 residues pruned to eliminate duplicates Z: 14 23.102 2.144 0.295 0.949 1.000 0.923 CB 1.593 14 residues pruned to eliminate duplicates Z: 10 26.987 2.298 0.514 0.924 1.000 0.778 C 1.815 11 residues pruned to eliminate duplicates Z: 11 16.388 2.208 0.482 0.692 0.800 0.300 CA 1.660 11 residues pruned to eliminate duplicates Z: 12 16.271 2.100 0.231 0.815 1.000 0.727 CB 1.442 12 residues pruned to eliminate duplicates Z: 17 41.319 2.461 0.702 0.918 1.000 0.875 CB 1.738 17 residues pruned to eliminate duplicates Z: 26 83.087 2.521 1.290 0.951 1.000 1.000 CB 1.984 26 residues pruned to eliminate duplicates Z: 18 50.400 2.464 0.974 0.936 0.941 0.882 CB 1.860 18 residues pruned to eliminate duplicates Z: 11 19.758 2.245 0.402 0.900 1.000 0.700 CB 1.418 11 residues pruned to eliminate duplicates Z: 10 23.078 2.327 0.571 0.675 1.000 0.333 CA 1.791 11 residues pruned to eliminate duplicates Z: 18 40.656 2.360 0.662 0.930 1.000 0.882 CB 1.758 18 residues pruned to eliminate duplicates Z: 16 9.631 1.855 0.063 0.489 0.933 0.533 CB 1.366 16 residues pruned to eliminate duplicates Z: 12 26.922 2.326 0.923 0.834 0.818 0.727 CB 1.662 12 residues pruned to eliminate duplicates Z: 6 6.109 2.181 -0.389 0.753 1.000 0.400 CA 1.638 5 residues pruned to eliminate duplicates Z: 89 86.231 2.414 0.766 0.727 0.943 0.716 CB 1.864 93 residues pruned to eliminate duplicates Z: 27 80.931 2.456 1.293 0.929 1.000 0.808 CB 1.973 27 residues pruned to eliminate duplicates Z: 19 62.246 2.423 1.249 0.930 1.000 0.722 C 1.883 19 residues pruned to eliminate duplicates Z: 13 22.705 2.134 0.333 0.907 1.000 1.000 CB 1.638 13 residues pruned to eliminate duplicates Z: 15 18.865 2.098 0.115 0.923 0.929 0.714 CB 1.632 15 residues pruned to eliminate duplicates Z: 18 51.821 2.325 1.110 0.924 1.000 0.824 CB 1.799 18 residues pruned to eliminate duplicates Z: 26 45.368 2.261 0.791 0.914 0.920 0.840 CB 1.722 26 residues pruned to eliminate duplicates Z: 27 61.928 2.458 0.919 0.889 0.962 0.885 CB 1.927 27 residues pruned to eliminate duplicates Z: 18 48.344 2.471 1.095 0.885 0.882 0.765 CB 1.854 18 residues pruned to eliminate duplicates Z: 19 43.639 2.317 0.828 0.885 1.000 0.889 CB 1.753 19 residues pruned to eliminate duplicates Z: 17 46.211 2.351 0.921 0.938 1.000 0.688 CB 1.779 17 residues pruned to eliminate duplicates Z: 14 21.831 2.127 0.226 0.934 1.000 0.923 CB 1.619 14 residues pruned to eliminate duplicates Z: 19 37.674 2.234 0.494 0.919 1.000 0.944 CA 1.875 19 residues pruned to eliminate duplicates Z: 13 25.762 2.260 0.388 0.940 1.000 1.000 CB 1.646 13 residues pruned to eliminate duplicates Z: 53 49.900 2.288 0.731 0.566 0.923 0.519 CB 1.776 43 residues pruned to eliminate duplicates Z: 8 8.230 1.900 0.058 0.836 0.857 0.571 CA 1.352 7 residues pruned to eliminate duplicates Z: 126 108.964 2.468 0.793 0.732 0.968 0.752 CB 1.846 123 residues pruned to eliminate duplicates Z: 18 39.137 2.353 0.641 0.868 1.000 0.882 CB 1.798 18 residues pruned to eliminate duplicates Z: 18 38.446 2.277 0.649 0.917 1.000 0.882 CA 1.752 18 residues pruned to eliminate duplicates Z: 11 16.880 2.158 0.062 0.885 1.000 0.900 C 1.682 11 residues pruned to eliminate duplicates Z: 18 44.214 2.301 0.829 0.922 1.000 0.882 CB 1.791 18 residues pruned to eliminate duplicates Z: 13 25.008 2.143 0.402 0.936 1.000 0.917 CB 1.674 13 residues pruned to eliminate duplicates Z: 26 62.566 2.519 0.844 0.932 1.000 0.760 CB 1.881 26 residues pruned to eliminate duplicates Z: 10 26.233 2.307 0.584 0.911 1.000 0.556 CB 1.696 10 residues pruned to eliminate duplicates Z: 7 11.000 1.914 0.173 0.821 1.000 0.667 CA 1.515 7 residues pruned to eliminate duplicates Z: 15 42.739 2.378 0.848 0.936 1.000 0.714 CB 1.810 15 residues pruned to eliminate duplicates Z: 11 19.263 1.985 0.381 0.924 1.000 0.700 CA 1.561 11 residues pruned to eliminate duplicates Z: 107 81.197 2.341 0.667 0.684 0.962 0.670 CB 1.775 88 residues pruned to eliminate duplicates Z: 11 16.523 2.111 0.303 0.772 0.900 0.600 C 1.659 11 residues pruned to eliminate duplicates Z: 6 5.647 2.025 0.102 0.476 0.800 0.800 CB 1.449 6 residues pruned to eliminate duplicates Z: 27 72.254 2.462 1.253 0.927 0.962 0.692 CB 1.862 27 residues pruned to eliminate duplicates Z: 10 22.781 2.345 0.320 0.913 1.000 0.778 CB 1.737 10 residues pruned to eliminate duplicates Z: 17 40.894 2.445 0.573 0.926 1.000 1.000 CB 1.865 17 residues pruned to eliminate duplicates Z: 6 15.352 2.097 0.723 0.671 1.000 0.400 CA 1.622 6 residues pruned to eliminate duplicates Z: 17 53.371 2.332 1.246 0.911 0.938 0.812 CA 1.926 17 residues pruned to eliminate duplicates Z: 12 24.148 2.038 0.611 0.913 0.909 0.818 C 1.727 12 residues pruned to eliminate duplicates Z: 15 24.004 2.031 0.527 0.893 0.929 0.786 CB 1.598 15 residues pruned to eliminate duplicates Z: 15 38.138 2.323 0.732 0.927 1.000 0.714 CB 1.775 15 residues pruned to eliminate duplicates Z: 7 7.164 1.805 -0.145 0.877 1.000 1.000 CB 1.377 7 residues pruned to eliminate duplicates Z: 14 41.172 2.382 0.775 0.938 1.000 1.000 CB 1.879 14 residues pruned to eliminate duplicates Z: 14 14.467 2.123 -0.074 0.940 0.923 0.923 CB 1.535 14 residues pruned to eliminate duplicates Z: 17 39.055 2.270 0.698 0.890 1.000 0.938 CB 1.823 17 residues pruned to eliminate duplicates Z: 18 35.471 2.308 0.557 0.917 1.000 0.882 CB 1.688 18 residues pruned to eliminate duplicates Z: 130 97.388 2.414 0.662 0.708 0.969 0.721 CB 1.826 130 residues pruned to eliminate duplicates Z: 13 22.447 2.137 0.445 0.836 1.000 0.833 CB 1.570 13 residues pruned to eliminate duplicates Z: 17 38.280 2.332 0.903 0.875 1.000 0.688 CB 1.568 17 residues pruned to eliminate duplicates Z: 17 39.814 2.366 0.636 0.907 1.000 0.812 CA 1.828 17 residues pruned to eliminate duplicates Z: 21 41.188 2.499 0.554 0.800 0.900 0.750 CB 2.027 21 residues pruned to eliminate duplicates Z: 11 31.973 2.451 0.620 0.891 1.000 0.900 CB 1.830 11 residues pruned to eliminate duplicates Z: 6 7.784 1.853 0.331 0.867 0.800 0.600 N 1.291 6 residues pruned to eliminate duplicates Z: 28 28.329 2.191 0.408 0.659 0.963 0.741 CB 1.583 28 residues pruned to eliminate duplicates Z: 14 43.634 2.388 0.887 0.940 1.000 0.846 CB 1.865 14 residues pruned to eliminate duplicates Z: 7 9.262 1.823 0.061 0.848 1.000 0.833 CA 1.450 7 residues pruned to eliminate duplicates Z: 17 45.838 2.395 0.853 0.936 1.000 0.875 CB 1.798 17 residues pruned to eliminate duplicates Z: 15 45.288 2.468 0.783 0.894 1.000 0.857 CB 1.973 15 residues pruned to eliminate duplicates Z: 18 39.650 2.388 0.837 0.933 1.000 0.882 CB 1.529 18 residues pruned to eliminate duplicates Z: 17 31.591 2.388 0.415 0.887 1.000 0.875 CB 1.685 17 residues pruned to eliminate duplicates Z: 12 25.264 2.301 0.470 0.900 1.000 0.909 CB 1.608 12 residues pruned to eliminate duplicates Z: 13 21.339 2.166 0.221 0.936 1.000 0.917 CB 1.622 13 residues pruned to eliminate duplicates Z: 12 20.973 2.221 0.460 0.814 0.909 0.727 CB 1.632 12 residues pruned to eliminate duplicates Z: 59 47.367 2.254 0.503 0.640 0.948 0.707 CB 1.698 59 residues pruned to eliminate duplicates Z: 17 46.025 2.245 1.003 0.946 1.000 0.812 CA 1.770 17 residues pruned to eliminate duplicates Z: 16 44.952 2.417 0.784 0.935 1.000 1.000 CB 1.876 16 residues pruned to eliminate duplicates Z: 22 35.961 2.355 0.478 0.827 0.905 0.810 CA 1.878 22 residues pruned to eliminate duplicates Z: 10 21.506 2.289 0.469 0.718 1.000 0.444 CA 1.750 10 residues pruned to eliminate duplicates Z: 12 19.074 2.140 0.496 0.896 1.000 0.909 CB 1.286 12 residues pruned to eliminate duplicates Z: 12 26.083 2.286 0.484 0.887 1.000 0.909 CB 1.672 12 residues pruned to eliminate duplicates Z: 10 16.467 2.200 0.299 0.839 0.889 0.444 C 1.613 10 residues pruned to eliminate duplicates Z: 14 26.196 2.162 0.418 0.945 1.000 0.846 CB 1.639 14 residues pruned to eliminate duplicates Z: 15 21.484 2.045 0.526 0.906 0.857 0.714 CB 1.526 15 residues pruned to eliminate duplicates Z: 6 9.076 2.165 0.268 0.843 0.800 0.800 CA 1.376 6 residues pruned to eliminate duplicates Z: 37 44.185 2.384 0.651 0.603 0.944 0.667 CB 1.796 37 residues pruned to eliminate duplicates Z: 11 19.144 2.074 0.583 0.736 0.900 0.600 CA 1.657 11 residues pruned to eliminate duplicates Z: 11 22.971 2.380 0.396 0.855 0.900 0.800 CB 1.793 11 residues pruned to eliminate duplicates Z: 13 16.406 2.027 0.224 0.909 1.000 0.833 CB 1.354 13 residues pruned to eliminate duplicates Z: 19 45.158 2.370 0.926 0.921 0.944 0.778 CB 1.738 19 residues pruned to eliminate duplicates Z: 14 37.151 2.370 0.783 0.931 0.923 0.769 CB 1.846 14 residues pruned to eliminate duplicates Z: 8 11.672 1.956 0.053 0.859 1.000 0.857 CA 1.575 9 residues pruned to eliminate duplicates Z: 13 16.216 2.069 0.271 0.864 0.917 0.500 CB 1.424 13 residues pruned to eliminate duplicates Z: 18 49.759 2.391 1.080 0.948 1.000 0.824 CB 1.676 18 residues pruned to eliminate duplicates Z: 12 26.425 2.171 0.542 0.861 1.000 0.636 C 1.749 12 residues pruned to eliminate duplicates Z: 16 47.263 2.362 1.018 0.938 1.000 0.933 CA 1.781 16 residues pruned to eliminate duplicates Z: 181 121.616 2.419 0.740 0.713 0.961 0.700 CB 1.847 181 residues pruned to eliminate duplicates Z: 16 53.834 2.525 1.062 0.936 1.000 0.867 CB 1.859 16 residues pruned to eliminate duplicates Z: 11 20.165 2.043 0.723 0.834 0.900 0.700 C 1.509 11 residues pruned to eliminate duplicates Z: 27 59.617 2.406 0.997 0.909 0.962 0.808 CB 1.796 27 residues pruned to eliminate duplicates Z: 12 22.200 2.306 0.271 0.905 1.000 0.818 CB 1.626 12 residues pruned to eliminate duplicates Z: 17 49.946 2.305 1.072 0.907 1.000 0.688 CB 1.859 17 residues pruned to eliminate duplicates Z: 14 37.183 2.328 0.705 0.924 1.000 0.846 CB 1.824 14 residues pruned to eliminate duplicates Z: 16 42.199 2.378 0.714 0.930 1.000 0.867 CB 1.869 16 residues pruned to eliminate duplicates Z: 8 13.141 1.780 0.428 0.788 1.000 0.857 CA 1.518 8 residues pruned to eliminate duplicates Z: 12 15.865 2.029 0.239 0.797 0.909 0.727 C 1.614 12 residues pruned to eliminate duplicates Z: 17 43.840 2.381 0.769 0.905 1.000 0.812 CA 1.852 17 residues pruned to eliminate duplicates Z: 17 51.490 2.436 1.085 0.940 1.000 0.938 CB 1.760 17 residues pruned to eliminate duplicates Z: 38 26.491 2.096 0.349 0.581 0.919 0.676 CB 1.551 38 residues pruned to eliminate duplicates Z: 27 80.649 2.465 1.445 0.914 0.962 0.731 CB 1.931 27 residues pruned to eliminate duplicates Z: 18 39.085 2.337 0.782 0.886 1.000 0.882 CB 1.642 18 residues pruned to eliminate duplicates Z: 27 65.314 2.448 0.867 0.939 1.000 0.962 CB 1.947 27 residues pruned to eliminate duplicates Z: 11 21.326 2.109 0.635 0.902 0.900 0.400 C 1.550 11 residues pruned to eliminate duplicates Z: 29 40.974 2.333 0.485 0.678 0.964 0.679 CA 1.967 29 residues pruned to eliminate duplicates Z: 17 41.211 2.339 0.642 0.931 1.000 1.000 CA 1.875 17 residues pruned to eliminate duplicates Z: 13 19.874 2.096 0.394 0.856 1.000 0.667 CB 1.449 13 residues pruned to eliminate duplicates Z: 10 15.743 2.293 0.314 0.739 0.778 0.556 C 1.807 10 residues pruned to eliminate duplicates Z: 11 16.394 2.051 0.138 0.852 1.000 0.800 C 1.642 11 residues pruned to eliminate duplicates Z: 6 5.837 1.920 0.325 0.641 0.800 0.400 CB 1.125 6 residues pruned to eliminate duplicates Z: 15 30.661 2.346 0.561 0.917 0.929 0.786 CB 1.702 15 residues pruned to eliminate duplicates Z: 7 11.857 1.888 0.268 0.787 1.000 0.500 CB 1.571 7 residues pruned to eliminate duplicates Z: 12 25.861 2.313 0.523 0.863 1.000 0.727 CB 1.624 12 residues pruned to eliminate duplicates Z: 12 24.594 2.287 0.477 0.916 1.000 0.909 CB 1.551 12 residues pruned to eliminate duplicates Z: 97 79.184 2.390 0.637 0.731 0.979 0.760 CB 1.714 97 residues pruned to eliminate duplicates Z: 42 59.131 2.409 0.855 0.725 0.976 0.707 CB 1.730 42 residues pruned to eliminate duplicates Z: 8 10.176 2.004 0.417 0.766 0.714 0.571 C 1.498 8 residues pruned to eliminate duplicates Z: 11 17.733 2.128 0.700 0.731 0.800 0.400 CA 1.574 11 residues pruned to eliminate duplicates Z: 18 39.841 2.255 0.801 0.878 1.000 0.824 CB 1.726 18 residues pruned to eliminate duplicates Z: 18 45.275 2.316 0.953 0.916 1.000 0.941 CB 1.714 18 residues pruned to eliminate duplicates Z: 17 48.510 2.358 0.929 0.925 1.000 1.000 CB 1.872 17 residues pruned to eliminate duplicates Z: 31 35.919 2.287 0.582 0.612 0.933 0.600 CB 1.747 31 residues pruned to eliminate duplicates Z: 10 14.346 1.989 0.083 0.831 1.000 0.667 CA 1.668 10 residues pruned to eliminate duplicates Z: 58 62.098 2.397 0.677 0.703 0.930 0.632 CB 1.829 58 residues pruned to eliminate duplicates Z: 36 29.268 2.130 0.474 0.587 0.943 0.714 CB 1.538 36 residues pruned to eliminate duplicates Z: 19 58.560 2.442 1.147 0.928 0.944 0.889 CA 1.952 19 residues pruned to eliminate duplicates Z: 18 40.060 2.375 0.518 0.911 1.000 0.882 CA 1.911 18 residues pruned to eliminate duplicates Z: 8 8.758 1.679 0.037 0.858 1.000 0.714 C 1.400 8 residues pruned to eliminate duplicates Z: 11 14.939 2.066 0.064 0.855 0.900 0.800 C 1.761 11 residues pruned to eliminate duplicates Z: 58 50.850 2.264 0.559 0.674 0.947 0.667 CB 1.715 58 residues pruned to eliminate duplicates Z: 6 11.777 2.093 0.431 0.783 0.800 0.600 CA 1.714 6 residues pruned to eliminate duplicates Z: 9 16.233 2.322 0.288 0.697 0.875 0.375 C 1.832 9 residues pruned to eliminate duplicates Z: 16 45.266 2.380 0.810 0.942 1.000 0.867 CB 1.882 16 residues pruned to eliminate duplicates Z: 17 39.753 2.230 0.689 0.903 1.000 0.750 CB 1.880 17 residues pruned to eliminate duplicates Z: 18 41.562 2.336 0.604 0.912 1.000 0.882 CA 1.906 18 residues pruned to eliminate duplicates Z: 147 95.969 2.389 0.646 0.673 0.952 0.699 CB 1.808 147 residues pruned to eliminate duplicates Z: 12 19.676 2.160 0.419 0.861 1.000 0.727 CB 1.423 12 residues pruned to eliminate duplicates Z: 42 67.974 2.452 0.853 0.755 0.951 0.854 CB 1.957 42 residues pruned to eliminate duplicates Z: 55 64.775 2.324 0.908 0.662 0.926 0.648 CB 1.847 55 residues pruned to eliminate duplicates Z: 27 68.153 2.396 1.276 0.896 0.923 0.808 CB 1.902 27 residues pruned to eliminate duplicates Z: 7 9.730 1.700 0.456 0.700 1.000 0.667 N 1.336 7 residues pruned to eliminate duplicates Z: 35 41.213 2.315 0.733 0.565 0.971 0.588 CB 1.705 35 residues pruned to eliminate duplicates Z: 35 36.965 2.311 0.568 0.595 0.941 0.618 CB 1.698 35 residues pruned to eliminate duplicates Z: 97 87.386 2.398 0.824 0.718 0.917 0.698 CB 1.826 97 residues pruned to eliminate duplicates Z: 11 15.494 1.891 0.527 0.743 0.900 0.500 C 1.516 11 residues pruned to eliminate duplicates Z: 11 17.683 2.090 0.339 0.833 0.900 0.700 C 1.665 11 residues pruned to eliminate duplicates Z: 17 57.144 2.383 1.217 0.878 1.000 0.688 CB 1.963 17 residues pruned to eliminate duplicates Z: 6 4.543 1.672 0.234 0.532 0.800 0.600 CA 1.192 6 residues pruned to eliminate duplicates Z: 17 32.865 2.321 0.672 0.883 0.875 0.875 CA 1.749 17 residues pruned to eliminate duplicates Z: 38 37.343 2.229 0.367 0.700 1.000 0.676 CB 1.679 38 residues pruned to eliminate duplicates Z: 52 53.079 2.332 0.583 0.677 0.961 0.686 CB 1.780 52 residues pruned to eliminate duplicates Z: 18 43.484 2.458 0.546 0.902 1.000 0.882 CA 1.980 18 residues pruned to eliminate duplicates Z: 17 36.882 2.310 0.513 0.913 1.000 1.000 CA 1.867 17 residues pruned to eliminate duplicates Z: 13 29.385 2.251 0.352 0.885 1.000 0.833 CB 2.013 13 residues pruned to eliminate duplicates Z: 37 47.860 2.333 0.740 0.612 0.944 0.667 CB 1.871 37 residues pruned to eliminate duplicates Z: 38 38.758 2.377 0.613 0.548 0.919 0.568 CB 1.725 38 residues pruned to eliminate duplicates Z: 11 30.129 2.383 0.651 0.872 1.000 0.700 CB 1.765 11 residues pruned to eliminate duplicates Z: 11 24.717 2.397 0.364 0.902 1.000 0.700 CB 1.705 11 residues pruned to eliminate duplicates Z: 27 56.278 2.433 0.914 0.888 0.962 0.808 CB 1.776 27 residues pruned to eliminate duplicates Z: 18 55.977 2.382 1.005 0.953 1.000 0.824 CB 1.956 18 residues pruned to eliminate duplicates Z: 42 32.406 2.195 0.383 0.617 0.951 0.634 CB 1.570 42 residues pruned to eliminate duplicates Z: 44 32.128 2.196 0.404 0.594 0.930 0.605 CB 1.562 44 residues pruned to eliminate duplicates Z: 131 105.998 2.393 0.840 0.712 0.954 0.746 CB 1.827 131 residues pruned to eliminate duplicates Z: 6 10.976 1.990 0.134 0.812 1.000 0.800 CA 1.658 6 residues pruned to eliminate duplicates Z: 15 35.620 2.283 0.806 0.878 0.929 0.786 CB 1.804 15 residues pruned to eliminate duplicates Z: 6 9.251 1.979 0.323 0.801 0.800 0.600 CA 1.519 6 residues pruned to eliminate duplicates Z: 42 45.370 2.354 0.591 0.614 0.927 0.659 CB 1.832 42 residues pruned to eliminate duplicates Z: 17 48.013 2.416 0.767 0.920 1.000 0.812 C 1.980 17 residues pruned to eliminate duplicates Z: 9 16.195 2.022 0.543 0.765 1.000 0.750 C 1.451 9 residues pruned to eliminate duplicates Z: 18 48.716 2.373 0.930 0.910 1.000 0.882 CB 1.830 18 residues pruned to eliminate duplicates Z: 11 21.374 2.268 0.423 0.900 1.000 0.900 CB 1.495 11 residues pruned to eliminate duplicates Z: 12 9.901 2.035 0.366 0.379 0.818 0.455 CB 1.494 12 residues pruned to eliminate duplicates Z: 12 22.097 2.094 0.542 0.876 1.000 0.818 CB 1.500 12 residues pruned to eliminate duplicates Z: 11 23.305 2.171 0.571 0.774 1.000 0.600 C 1.696 11 residues pruned to eliminate duplicates Z: 14 26.499 2.159 0.580 0.927 0.923 0.923 CB 1.636 14 residues pruned to eliminate duplicates Z: 92 82.331 2.356 0.814 0.701 0.945 0.659 CB 1.780 92 residues pruned to eliminate duplicates Z: 85 90.958 2.416 0.842 0.731 0.976 0.726 CB 1.856 85 residues pruned to eliminate duplicates Z: 89 79.976 2.427 0.655 0.711 0.943 0.705 CB 1.858 89 residues pruned to eliminate duplicates Z: 16 36.079 2.229 0.676 0.913 1.000 1.000 CA 1.765 16 residues pruned to eliminate duplicates Z: 11 26.367 2.351 0.439 0.898 1.000 0.900 CB 1.764 11 residues pruned to eliminate duplicates Z: 17 35.679 2.423 0.571 0.914 1.000 0.875 CB 1.658 17 residues pruned to eliminate duplicates Z: 184 114.889 2.384 0.693 0.720 0.956 0.732 CB 1.804 184 residues pruned to eliminate duplicates Z: 13 12.734 1.971 0.124 0.557 1.000 0.750 CA 1.569 13 residues pruned to eliminate duplicates Z: 16 47.746 2.362 0.977 0.926 1.000 0.800 CB 1.851 16 residues pruned to eliminate duplicates Z: 7 6.039 1.698 0.199 0.741 0.833 0.500 C 1.172 7 residues pruned to eliminate duplicates Z: 6 11.649 2.051 0.374 0.751 1.000 0.400 CA 1.478 6 residues pruned to eliminate duplicates Z: 8 7.113 1.712 0.059 0.795 0.857 0.571 C 1.336 8 residues pruned to eliminate duplicates Z: 122 96.174 2.407 0.742 0.690 0.959 0.694 CB 1.827 122 residues pruned to eliminate duplicates Z: 13 12.733 2.053 0.001 0.689 0.917 0.667 CA 1.641 13 residues pruned to eliminate duplicates Z: 27 57.921 2.388 0.894 0.918 0.962 0.808 CB 1.842 27 residues pruned to eliminate duplicates Z: 17 30.521 2.155 0.711 0.854 0.938 0.750 CB 1.630 17 residues pruned to eliminate duplicates Z: 18 41.627 2.328 0.906 0.895 0.941 0.882 CB 1.733 18 residues pruned to eliminate duplicates Z: 10 11.163 2.116 0.619 0.350 1.000 0.556 CB 1.278 10 residues pruned to eliminate duplicates Z: 17 34.035 2.273 0.564 0.901 0.938 0.875 CB 1.822 17 residues pruned to eliminate duplicates Z: 13 18.988 2.111 0.333 0.835 1.000 0.833 CB 1.459 13 residues pruned to eliminate duplicates Z: 14 22.481 2.112 0.334 0.902 1.000 0.846 CB 1.578 14 residues pruned to eliminate duplicates Z: 9 7.539 1.912 0.016 0.729 0.750 0.625 C 1.489 9 residues pruned to eliminate duplicates Z: 13 39.510 2.244 0.909 0.937 1.000 0.833 CB 1.853 13 residues pruned to eliminate duplicates Z: 100 89.311 2.432 0.737 0.693 0.970 0.768 CB 1.836 100 residues pruned to eliminate duplicates Z: 18 45.938 2.394 0.872 0.889 0.941 0.824 C 1.902 18 residues pruned to eliminate duplicates Z: 69 84.099 2.464 0.826 0.756 0.956 0.794 CB 1.888 69 residues pruned to eliminate duplicates Z: 33 36.060 2.267 0.533 0.606 0.969 0.656 CB 1.711 33 residues pruned to eliminate duplicates Z: 16 41.830 2.387 0.721 0.939 1.000 0.867 CB 1.827 16 residues pruned to eliminate duplicates Z: 11 12.879 1.938 0.318 0.729 0.900 0.700 CA 1.442 11 residues pruned to eliminate duplicates Z: 137 98.444 2.407 0.693 0.671 0.978 0.669 CB 1.809 134 residues pruned to eliminate duplicates Z: 155 113.692 2.429 0.746 0.724 0.948 0.740 CB 1.862 155 residues pruned to eliminate duplicates Z: 34 40.347 2.238 0.865 0.551 0.909 0.545 CB 1.761 34 residues pruned to eliminate duplicates Z: 18 43.499 2.246 0.936 0.927 1.000 0.882 CB 1.700 18 residues pruned to eliminate duplicates Z: 27 28.895 2.187 0.626 0.538 0.923 0.577 CB 1.663 27 residues pruned to eliminate duplicates Z: 6 11.199 2.009 0.357 0.749 1.000 1.000 CA 1.471 6 residues pruned to eliminate duplicates Z: 16 36.159 2.453 0.461 0.923 0.933 0.933 CA 1.961 16 residues pruned to eliminate duplicates Z: 42 37.312 2.232 0.497 0.599 0.951 0.634 CB 1.669 42 residues pruned to eliminate duplicates Z: 17 17.931 2.051 0.497 0.444 1.000 0.500 CB 1.546 17 residues pruned to eliminate duplicates Z: 15 28.207 2.062 0.612 0.895 1.000 0.714 CB 1.626 15 residues pruned to eliminate duplicates Z: 33 48.354 2.320 0.766 0.684 0.969 0.625 CB 1.818 33 residues pruned to eliminate duplicates Z: 14 29.697 2.127 0.834 0.942 0.923 0.615 CB 1.586 14 residues pruned to eliminate duplicates Z: 18 38.621 2.357 0.584 0.921 1.000 0.882 CA 1.765 18 residues pruned to eliminate duplicates Z: 16 43.840 2.441 0.718 0.909 1.000 1.000 CB 1.917 16 residues pruned to eliminate duplicates Z: 18 41.149 2.343 0.617 0.955 1.000 0.882 CA 1.811 18 residues pruned to eliminate duplicates Z: 11 25.489 1.965 0.794 0.867 1.000 0.900 C 1.673 11 residues pruned to eliminate duplicates Z: 144 115.351 2.449 0.791 0.752 0.951 0.762 CB 1.846 144 residues pruned to eliminate duplicates Z: 163 112.775 2.390 0.758 0.706 0.969 0.691 CB 1.804 163 residues pruned to eliminate duplicates Z: 15 17.793 2.011 0.210 0.873 0.929 0.857 CB 1.533 15 residues pruned to eliminate duplicates Z: 9 21.412 2.169 0.445 0.914 1.000 0.375 C 1.708 9 residues pruned to eliminate duplicates Z: 27 70.072 2.369 1.246 0.907 1.000 0.692 CB 1.835 27 residues pruned to eliminate duplicates Z: 17 41.443 2.226 0.927 0.898 1.000 0.812 CB 1.728 17 residues pruned to eliminate duplicates Z: 18 46.869 2.373 0.797 0.911 1.000 0.824 C 1.889 18 residues pruned to eliminate duplicates Z: 15 18.923 2.131 0.758 0.512 0.929 0.643 CB 1.436 15 residues pruned to eliminate duplicates Z: 67 75.703 2.399 0.834 0.700 0.970 0.667 CB 1.820 67 residues pruned to eliminate duplicates Z: 137 120.622 2.456 0.905 0.750 0.963 0.757 CB 1.836 137 residues pruned to eliminate duplicates Z: 138 105.141 2.404 0.850 0.697 0.942 0.657 CB 1.791 138 residues pruned to eliminate duplicates Z: 12 11.216 1.806 0.443 0.700 0.727 0.545 CB 1.487 12 residues pruned to eliminate duplicates Z: 11 20.743 2.274 0.515 0.872 0.900 0.600 CB 1.542 11 residues pruned to eliminate duplicates Z: 48 51.949 2.379 0.563 0.663 0.957 0.702 CB 1.830 48 residues pruned to eliminate duplicates Z: 138 97.885 2.397 0.719 0.675 0.956 0.686 CB 1.806 138 residues pruned to eliminate duplicates Z: 61 60.983 2.374 0.710 0.640 0.950 0.633 CB 1.791 61 residues pruned to eliminate duplicates Z: 6 4.086 1.301 0.518 0.535 1.000 0.600 CA 0.894 Z: 77 66.859 2.299 0.694 0.672 0.961 0.697 CB 1.749 77 residues pruned to eliminate duplicates Z: 44 55.601 2.355 0.838 0.703 0.930 0.814 CB 1.751 44 residues pruned to eliminate duplicates Z: 64 73.068 2.452 0.810 0.695 0.952 0.746 CB 1.823 64 residues pruned to eliminate duplicates Z: 95 94.143 2.408 0.827 0.734 0.968 0.713 CB 1.848 95 residues pruned to eliminate duplicates Z: 14 22.938 2.127 0.444 0.908 0.923 0.692 CB 1.593 14 residues pruned to eliminate duplicates Z: 6 12.912 2.158 0.319 0.870 1.000 0.800 CB 1.481 6 residues pruned to eliminate duplicates Z: 58 57.436 2.334 0.560 0.722 0.982 0.702 CB 1.741 58 residues pruned to eliminate duplicates Z: 15 48.971 2.413 0.958 0.939 1.000 0.857 CA 1.925 15 residues pruned to eliminate duplicates Z: 19 26.038 2.348 0.651 0.421 1.000 0.444 CB 1.721 19 residues pruned to eliminate duplicates Z: 51 56.824 2.370 0.710 0.601 0.980 0.540 CB 1.838 51 residues pruned to eliminate duplicates Z: 128 113.483 2.428 0.867 0.735 0.961 0.717 CB 1.872 128 residues pruned to eliminate duplicates Z: 107 87.093 2.386 0.735 0.699 0.934 0.717 CB 1.825 107 residues pruned to eliminate duplicates Z: 8 15.055 2.062 0.542 0.759 0.857 0.714 CB 1.658 8 residues pruned to eliminate duplicates Z: 14 11.946 1.900 0.134 0.595 0.923 0.538 CA 1.520 14 residues pruned to eliminate duplicates Z: 145 119.605 2.444 0.920 0.712 0.938 0.715 CB 1.870 145 residues pruned to eliminate duplicates Z: 12 36.265 2.526 0.653 0.843 1.000 1.000 CA 1.951 12 residues pruned to eliminate duplicates Z: 12 16.464 2.107 0.335 0.883 1.000 0.727 CB 1.276 12 residues pruned to eliminate duplicates Z: 17 32.540 2.426 0.403 0.924 0.938 0.938 CB 1.791 17 residues pruned to eliminate duplicates Z: 114 95.077 2.429 0.758 0.724 0.956 0.743 CB 1.791 114 residues pruned to eliminate duplicates Z: 42 51.439 2.401 0.730 0.589 0.951 0.561 CB 1.868 42 residues pruned to eliminate duplicates Z: 32 48.332 2.403 0.645 0.696 0.968 0.742 CB 1.897 32 residues pruned to eliminate duplicates Z: 39 46.400 2.320 0.660 0.693 0.947 0.737 CB 1.729 39 residues pruned to eliminate duplicates Z: 17 44.330 2.323 0.907 0.940 0.938 0.938 CA 1.853 17 residues pruned to eliminate duplicates Z: 12 19.225 1.892 0.585 0.907 1.000 0.636 C 1.374 12 residues pruned to eliminate duplicates Z: 33 42.187 2.304 0.710 0.597 0.969 0.625 CB 1.781 33 residues pruned to eliminate duplicates Z: 15 36.552 2.139 1.175 0.878 0.929 0.643 CA 1.642 15 residues pruned to eliminate duplicates Z: 102 99.456 2.419 0.854 0.707 0.970 0.723 CB 1.885 102 residues pruned to eliminate duplicates Z: 15 22.997 2.215 0.317 0.728 1.000 0.857 CA 1.716 15 residues pruned to eliminate duplicates Z: 16 43.306 2.413 0.766 0.938 1.000 1.000 CA 1.825 16 residues pruned to eliminate duplicates Z: 15 16.185 2.097 0.343 0.589 0.857 0.500 C 1.645 15 residues pruned to eliminate duplicates Z: 9 10.139 1.819 0.468 0.723 0.875 0.625 CA 1.254 9 residues pruned to eliminate duplicates Z: 16 21.927 2.244 0.579 0.455 1.000 0.667 CA 1.674 16 residues pruned to eliminate duplicates Z: 34 51.405 2.336 0.616 0.746 1.000 0.818 CB 1.903 34 residues pruned to eliminate duplicates Z: 83 85.698 2.396 0.836 0.701 0.951 0.744 CB 1.883 83 residues pruned to eliminate duplicates Z: 15 20.882 2.096 0.199 0.902 1.000 0.714 CB 1.585 15 residues pruned to eliminate duplicates Z: 10 20.896 2.092 0.588 0.892 0.889 0.667 CA 1.694 10 residues pruned to eliminate duplicates Z: 129 93.316 2.322 0.765 0.695 0.953 0.711 CB 1.767 129 residues pruned to eliminate duplicates Z: 16 38.170 2.319 0.995 0.817 0.933 0.800 C 1.733 16 residues pruned to eliminate duplicates Z: 30 33.432 2.180 0.577 0.651 0.897 0.655 CB 1.749 30 residues pruned to eliminate duplicates Z: 44 58.004 2.338 0.773 0.746 0.977 0.791 CB 1.755 44 residues pruned to eliminate duplicates Z: 22 34.616 2.127 0.923 0.668 0.905 0.762 CB 1.748 22 residues pruned to eliminate duplicates Z: 112 104.648 2.426 0.924 0.712 0.955 0.739 CB 1.838 112 residues pruned to eliminate duplicates Z: 29 52.311 2.380 0.724 0.774 0.964 0.679 CA 1.962 29 residues pruned to eliminate duplicates Z: 55 49.818 2.292 0.553 0.650 0.944 0.741 CB 1.753 55 residues pruned to eliminate duplicates Z: 39 46.816 2.404 0.622 0.580 0.974 0.605 CB 1.853 39 residues pruned to eliminate duplicates Z: 12 25.005 2.236 0.525 0.835 1.000 0.909 CB 1.656 12 residues pruned to eliminate duplicates Z: 97 84.540 2.398 0.643 0.708 0.979 0.708 CB 1.851 97 residues pruned to eliminate duplicates Z: 84 70.538 2.317 0.634 0.668 0.964 0.723 CB 1.817 84 residues pruned to eliminate duplicates Z: 9 18.178 2.194 0.356 0.767 1.000 1.000 CA 1.704 9 residues pruned to eliminate duplicates Z: 13 17.776 2.119 0.232 0.851 1.000 0.833 CB 1.455 13 residues pruned to eliminate duplicates Z: 152 116.539 2.427 0.864 0.719 0.947 0.735 CB 1.816 299 residues pruned to eliminate duplicates Z: 133 118.032 2.457 0.856 0.734 0.970 0.750 CB 1.882 133 residues pruned to eliminate duplicates Z: 13 26.301 2.220 0.815 0.802 0.833 0.417 C 1.737 13 residues pruned to eliminate duplicates Z: 27 49.663 2.382 0.875 0.677 0.962 0.654 CA 1.926 27 residues pruned to eliminate duplicates Z: 15 20.003 2.052 0.257 0.913 0.929 0.786 CB 1.580 15 residues pruned to eliminate duplicates Z: 18 43.782 2.280 0.901 0.905 1.000 0.824 CB 1.743 Z: 17 31.334 2.393 0.414 0.895 1.000 0.875 CB 1.660 17 residues pruned to eliminate duplicates Z: 26 35.961 2.289 0.530 0.689 0.920 0.760 CA 1.877 26 residues pruned to eliminate duplicates Z: 14 22.773 2.128 0.402 0.901 0.923 0.846 CB 1.638 14 residues pruned to eliminate duplicates Z: 16 38.595 2.250 1.007 0.916 0.933 0.800 CA 1.670 16 residues pruned to eliminate duplicates Z: 22 62.799 2.539 1.067 0.881 0.952 0.810 CB 1.985 22 residues pruned to eliminate duplicates Z: 24 33.763 2.283 0.701 0.532 1.000 0.565 CB 1.757 Z: 95 88.753 2.414 0.726 0.738 0.979 0.713 CB 1.813 113 residues pruned to eliminate duplicates Z: 12 22.239 2.228 0.462 0.852 1.000 0.818 CB 1.523 12 residues pruned to eliminate duplicates Z: 20 34.859 2.311 0.582 0.828 0.947 0.737 CB 1.738 Z: 9 11.258 1.714 0.275 0.750 1.000 0.625 CA 1.458 Z: 18 32.997 2.234 0.795 0.867 0.882 0.647 CB 1.655 18 residues pruned to eliminate duplicates Z: 20 13.227 1.842 0.302 0.490 0.895 0.526 CB 1.428 10 residues pruned to eliminate duplicates Z: 45 60.996 2.433 0.820 0.749 0.955 0.795 CB 1.742 20 residues pruned to eliminate duplicates Z: 84 78.490 2.386 0.736 0.681 0.952 0.723 CB 1.851 84 residues pruned to eliminate duplicates Z: 89 71.343 2.358 0.639 0.684 0.932 0.705 CB 1.784 89 residues pruned to eliminate duplicates Z: 40 49.516 2.264 0.687 0.695 0.949 0.795 CA 1.831 40 residues pruned to eliminate duplicates Z: 79 86.888 2.432 0.822 0.727 0.987 0.731 CB 1.832 79 residues pruned to eliminate duplicates Z: 16 41.653 2.372 0.721 0.909 1.000 0.733 CB 1.869 16 residues pruned to eliminate duplicates Z: 22 32.858 2.225 1.003 0.595 0.905 0.762 CB 1.623 18 residues pruned to eliminate duplicates Z: 110 94.794 2.402 0.773 0.723 0.963 0.761 CB 1.811 110 residues pruned to eliminate duplicates Z: 18 35.778 2.301 0.690 0.826 0.941 0.824 CB 1.787 Z: 7 13.186 2.284 0.342 0.558 1.000 0.500 CB 1.660 7 residues pruned to eliminate duplicates Z: 12 18.048 2.067 0.372 0.895 1.000 0.727 CB 1.376 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 9.877 1.981 0.736 0.451 1.000 0.400 CA 1.350 6 residues pruned to eliminate duplicates Z: 6 8.687 1.993 0.664 0.404 1.000 0.600 CA 1.296 6 residues pruned to eliminate duplicates Z: 43 29.388 2.221 0.262 0.586 0.929 0.667 CB 1.603 43 residues pruned to eliminate duplicates Z: 59 50.110 2.275 0.509 0.672 0.966 0.621 CB 1.694 59 residues pruned to eliminate duplicates Z: 42 34.808 2.245 0.425 0.605 0.951 0.683 CB 1.616 42 residues pruned to eliminate duplicates Z: 44 29.995 2.173 0.336 0.600 0.907 0.628 CB 1.579 44 residues pruned to eliminate duplicates Z: 22 24.282 2.256 0.475 0.533 1.000 0.667 CB 1.541 22 residues pruned to eliminate duplicates Z: 43 33.289 2.186 0.405 0.589 0.929 0.571 CB 1.653 43 residues pruned to eliminate duplicates Z: 105 74.863 2.333 0.595 0.660 0.962 0.702 CB 1.768 105 residues pruned to eliminate duplicates Z: 30 25.681 2.152 0.308 0.625 0.966 0.690 CB 1.559 30 residues pruned to eliminate duplicates Z: 44 33.168 2.159 0.392 0.584 0.977 0.581 CB 1.589 44 residues pruned to eliminate duplicates Z: 58 52.377 2.248 0.644 0.664 0.947 0.561 CB 1.703 58 residues pruned to eliminate duplicates Z: 30 27.358 2.151 0.366 0.626 1.000 0.690 CB 1.536 30 residues pruned to eliminate duplicates Z: 43 32.285 2.187 0.468 0.577 0.905 0.595 CB 1.592 43 residues pruned to eliminate duplicates Z: 38 31.250 2.123 0.481 0.598 0.973 0.649 CB 1.529 38 residues pruned to eliminate duplicates Z: 43 32.363 2.221 0.332 0.597 0.952 0.595 CB 1.617 43 residues pruned to eliminate duplicates Z: 43 37.244 2.195 0.463 0.616 0.976 0.595 CB 1.642 43 residues pruned to eliminate duplicates Z: 58 50.223 2.269 0.558 0.661 0.965 0.614 CB 1.680 58 residues pruned to eliminate duplicates Z: 38 32.658 2.175 0.520 0.588 0.973 0.649 CB 1.534 38 residues pruned to eliminate duplicates Z: 59 53.167 2.281 0.599 0.666 0.966 0.655 CB 1.700 59 residues pruned to eliminate duplicates Z: 13 22.186 2.161 0.423 0.917 0.917 0.583 CB 1.603 13 residues pruned to eliminate duplicates Z: 30 29.298 2.111 0.580 0.655 0.931 0.655 CB 1.516 30 residues pruned to eliminate duplicates Z: 43 34.441 2.213 0.464 0.604 0.929 0.571 CB 1.600 43 residues pruned to eliminate duplicates Z: 56 52.574 2.226 0.681 0.649 0.964 0.600 CB 1.712 56 residues pruned to eliminate duplicates Z: 42 34.318 2.214 0.427 0.613 0.951 0.561 CB 1.603 42 residues pruned to eliminate duplicates Z: 108 75.579 2.314 0.615 0.668 0.944 0.701 CB 1.774 108 residues pruned to eliminate duplicates Z: 43 35.627 2.225 0.459 0.602 0.952 0.619 CB 1.613 43 residues pruned to eliminate duplicates Z: 53 41.505 2.220 0.572 0.569 0.904 0.615 CB 1.707 53 residues pruned to eliminate duplicates Z: 30 36.965 2.349 0.589 0.684 0.862 0.690 CB 1.801 30 residues pruned to eliminate duplicates Z: 15 15.621 2.158 0.396 0.513 0.857 0.357 CB 1.597 15 residues pruned to eliminate duplicates Z: 79 70.612 2.338 0.679 0.680 0.936 0.654 CB 1.844 79 residues pruned to eliminate duplicates Z: 15 20.026 2.205 0.428 0.532 1.000 0.500 CA 1.647 15 residues pruned to eliminate duplicates Z: 42 33.592 2.244 0.339 0.611 0.951 0.585 CB 1.652 42 residues pruned to eliminate duplicates Z: 44 34.148 2.169 0.486 0.569 0.953 0.651 CB 1.586 44 residues pruned to eliminate duplicates Z: 45 34.390 2.167 0.509 0.592 0.909 0.523 CB 1.597 45 residues pruned to eliminate duplicates Z: 29 48.441 2.391 0.819 0.702 0.929 0.679 CB 1.886 29 residues pruned to eliminate duplicates Z: 59 51.365 2.242 0.639 0.662 0.948 0.621 CB 1.666 59 residues pruned to eliminate duplicates Z: 57 56.044 2.311 0.584 0.692 0.982 0.589 CB 1.748 57 residues pruned to eliminate duplicates Z: 19 45.656 2.285 0.755 0.914 1.000 0.889 CA 1.897 19 residues pruned to eliminate duplicates Z: 29 51.886 2.421 0.819 0.735 0.929 0.714 CB 1.942 29 residues pruned to eliminate duplicates Z: 17 41.018 2.414 0.834 0.823 0.938 0.938 CB 1.868 17 residues pruned to eliminate duplicates Z: 20 40.089 2.329 0.906 0.747 0.895 0.789 CB 1.856 20 residues pruned to eliminate duplicates Z: 65 71.675 2.342 0.702 0.761 0.984 0.812 CB 1.811 65 residues pruned to eliminate duplicates Z: 15 56.693 2.462 1.148 0.880 1.000 0.929 CA 2.077 15 residues pruned to eliminate duplicates Z: 17 48.745 2.418 1.092 0.886 0.938 0.875 CB 1.854 17 residues pruned to eliminate duplicates Z: 17 52.739 2.406 0.992 0.882 1.000 0.938 CA 1.990 17 residues pruned to eliminate duplicates Z: 19 47.613 2.349 1.145 0.734 0.944 0.833 CA 1.911 19 residues pruned to eliminate duplicates Z: 16 54.680 2.458 1.039 0.875 1.000 0.867 CA 2.049 16 residues pruned to eliminate duplicates Z: 17 42.578 2.290 1.027 0.818 0.938 0.938 CA 1.856 17 residues pruned to eliminate duplicates Z: 18 49.037 2.364 1.094 0.778 0.941 0.765 CB 1.998 18 residues pruned to eliminate duplicates Z: 55 51.968 2.267 0.744 0.619 0.963 0.630 CB 1.660 55 residues pruned to eliminate duplicates Z: 16 55.433 2.433 1.088 0.876 1.000 0.933 CA 2.048 16 residues pruned to eliminate duplicates Z: 128 108.807 2.446 0.741 0.730 0.961 0.764 CB 1.918 128 residues pruned to eliminate duplicates Z: 143 114.893 2.446 0.738 0.747 0.958 0.739 CB 1.900 162 residues pruned to eliminate duplicates Z: 145 112.344 2.447 0.750 0.726 0.951 0.701 CB 1.874 145 residues pruned to eliminate duplicates Z: 80 68.032 2.343 0.628 0.669 0.949 0.696 CB 1.808 80 residues pruned to eliminate duplicates Z: 82 76.354 2.349 0.709 0.684 0.988 0.765 CB 1.808 82 residues pruned to eliminate duplicates Z: 144 113.765 2.437 0.700 0.749 0.972 0.783 CB 1.890 144 residues pruned to eliminate duplicates Z: 56 73.561 2.415 0.732 0.764 1.000 0.727 CB 1.877 56 residues pruned to eliminate duplicates Z: 43 54.229 2.344 0.746 0.675 0.952 0.714 CB 1.827 43 residues pruned to eliminate duplicates Z: 185 115.117 2.394 0.662 0.702 0.978 0.739 CB 1.814 185 residues pruned to eliminate duplicates Z: 156 115.488 2.431 0.724 0.720 0.968 0.748 CB 1.875 156 residues pruned to eliminate duplicates Z: 55 81.670 2.446 0.825 0.770 1.000 0.722 CB 1.960 55 residues pruned to eliminate duplicates Z: 128 102.433 2.426 0.697 0.727 0.976 0.748 CB 1.843 128 residues pruned to eliminate duplicates Z: 85 78.744 2.368 0.798 0.679 0.940 0.679 CB 1.821 85 residues pruned to eliminate duplicates Z: 68 77.035 2.425 0.725 0.721 0.970 0.746 CB 1.900 68 residues pruned to eliminate duplicates Z: 46 56.059 2.347 0.775 0.653 0.978 0.733 CB 1.780 46 residues pruned to eliminate duplicates Z: 66 79.152 2.400 0.805 0.756 0.954 0.800 CB 1.892 66 residues pruned to eliminate duplicates Z: 185 120.719 2.393 0.753 0.706 0.957 0.685 CB 1.839 185 residues pruned to eliminate duplicates Z: 155 113.938 2.401 0.757 0.707 0.968 0.766 CB 1.864 155 residues pruned to eliminate duplicates Z: 118 99.929 2.409 0.789 0.701 0.957 0.701 CB 1.865 118 residues pruned to eliminate duplicates Z: 58 72.671 2.371 0.841 0.734 0.965 0.719 CB 1.852 58 residues pruned to eliminate duplicates Z: 70 67.765 2.348 0.762 0.688 0.928 0.725 CB 1.790 70 residues pruned to eliminate duplicates Z: 131 102.251 2.402 0.733 0.729 0.954 0.792 CB 1.838 131 residues pruned to eliminate duplicates Z: 99 78.370 2.306 0.705 0.686 0.949 0.735 CB 1.789 148 residues pruned to eliminate duplicates Z: 128 109.931 2.436 0.799 0.737 0.969 0.780 CB 1.858 128 residues pruned to eliminate duplicates Z: 129 98.735 2.424 0.671 0.734 0.953 0.766 CB 1.832 129 residues pruned to eliminate duplicates Z: 66 77.176 2.379 0.791 0.721 0.985 0.800 CB 1.868 66 residues pruned to eliminate duplicates Z: 80 77.810 2.368 0.775 0.687 0.949 0.759 CB 1.847 80 residues pruned to eliminate duplicates Z: 66 80.070 2.424 0.796 0.737 0.969 0.831 CB 1.903 66 residues pruned to eliminate duplicates Z: 119 99.100 2.441 0.714 0.716 0.966 0.780 CB 1.856 119 residues pruned to eliminate duplicates Z: 129 101.210 2.424 0.669 0.729 0.969 0.719 CB 1.858 129 residues pruned to eliminate duplicates Z: 181 111.954 2.366 0.691 0.704 0.972 0.739 CB 1.782 181 residues pruned to eliminate duplicates Z: 72 80.702 2.379 0.879 0.717 0.958 0.817 CB 1.838 72 residues pruned to eliminate duplicates Z: 93 81.631 2.353 0.806 0.653 0.957 0.728 CB 1.815 93 residues pruned to eliminate duplicates Z: 18 36.658 2.245 0.723 0.884 0.941 0.765 CA 1.766 18 residues pruned to eliminate duplicates Z: 77 83.275 2.416 0.764 0.740 0.961 0.789 CB 1.882 77 residues pruned to eliminate duplicates Z: 56 76.343 2.436 0.834 0.772 0.964 0.764 CB 1.880 56 residues pruned to eliminate duplicates Z: 56 79.689 2.412 0.932 0.760 0.982 0.745 CB 1.864 56 residues pruned to eliminate duplicates Z: 72 83.624 2.409 0.848 0.741 0.972 0.761 CB 1.849 72 residues pruned to eliminate duplicates Z: 53 57.889 2.327 0.776 0.705 0.923 0.808 CB 1.746 53 residues pruned to eliminate duplicates Z: 182 111.134 2.361 0.768 0.678 0.939 0.652 CB 1.788 182 residues pruned to eliminate duplicates Z: 106 81.264 2.334 0.701 0.686 0.943 0.686 CB 1.787 106 residues pruned to eliminate duplicates Z: 93 76.151 2.370 0.597 0.699 0.967 0.728 CB 1.808 93 residues pruned to eliminate duplicates Z: 92 81.811 2.370 0.735 0.711 0.956 0.714 CB 1.802 92 residues pruned to eliminate duplicates Z: 24 35.186 2.246 0.783 0.648 0.957 0.696 CB 1.668 24 residues pruned to eliminate duplicates Z: 120 95.214 2.412 0.730 0.692 0.950 0.723 CB 1.849 120 residues pruned to eliminate duplicates Z: 20 22.404 2.070 0.755 0.540 0.842 0.421 CB 1.616 20 residues pruned to eliminate duplicates Z: 90 81.058 2.401 0.700 0.734 0.933 0.719 CB 1.830 90 residues pruned to eliminate duplicates Z: 155 114.752 2.436 0.752 0.719 0.948 0.734 CB 1.875 155 residues pruned to eliminate duplicates Z: 89 82.351 2.433 0.687 0.725 0.943 0.693 CB 1.851 89 residues pruned to eliminate duplicates Z: 130 102.989 2.416 0.726 0.717 0.969 0.721 CB 1.843 130 residues pruned to eliminate duplicates Z: 51 57.720 2.379 0.630 0.694 0.980 0.660 CB 1.800 51 residues pruned to eliminate duplicates Z: 146 112.896 2.406 0.791 0.742 0.959 0.772 CB 1.828 146 residues pruned to eliminate duplicates Z: 89 80.553 2.426 0.660 0.730 0.955 0.761 CB 1.816 89 residues pruned to eliminate duplicates Z: 8 6.640 2.039 0.545 0.310 0.857 0.286 CB 1.147 8 residues pruned to eliminate duplicates Z: 87 92.562 2.455 0.752 0.747 0.988 0.779 CB 1.883 87 residues pruned to eliminate duplicates Z: 50 59.343 2.411 0.558 0.723 1.000 0.714 CB 1.846 50 residues pruned to eliminate duplicates Z: 144 114.921 2.435 0.765 0.749 0.958 0.790 CB 1.869 144 residues pruned to eliminate duplicates Z: 113 105.191 2.469 0.732 0.751 0.982 0.786 CB 1.893 113 residues pruned to eliminate duplicates Z: 90 81.640 2.405 0.645 0.727 0.955 0.685 CB 1.867 90 residues pruned to eliminate duplicates Z: 72 80.165 2.474 0.643 0.755 0.972 0.803 CB 1.918 72 residues pruned to eliminate duplicates Z: 110 90.762 2.396 0.671 0.695 0.982 0.725 CB 1.850 110 residues pruned to eliminate duplicates Z: 93 79.151 2.368 0.759 0.687 0.946 0.717 CB 1.765 93 residues pruned to eliminate duplicates Z: 77 85.063 2.457 0.696 0.761 0.987 0.803 CB 1.881 77 residues pruned to eliminate duplicates Z: 130 102.343 2.415 0.732 0.727 0.961 0.752 CB 1.827 130 residues pruned to eliminate duplicates Z: 89 82.672 2.424 0.656 0.738 0.955 0.739 CB 1.857 89 residues pruned to eliminate duplicates Z: 57 59.884 2.362 0.617 0.683 0.982 0.643 CB 1.803 57 residues pruned to eliminate duplicates Z: 82 78.765 2.397 0.738 0.719 0.975 0.728 CB 1.767 82 residues pruned to eliminate duplicates Z: 92 79.983 2.387 0.676 0.723 0.956 0.714 CB 1.793 92 residues pruned to eliminate duplicates Z: 91 78.157 2.398 0.614 0.718 0.956 0.711 CB 1.828 91 residues pruned to eliminate duplicates Z: 95 84.802 2.420 0.639 0.735 0.979 0.755 CB 1.824 95 residues pruned to eliminate duplicates Z: 93 78.367 2.367 0.700 0.709 0.935 0.739 CB 1.796 93 residues pruned to eliminate duplicates Z: 89 83.067 2.407 0.666 0.731 0.966 0.750 CB 1.858 89 residues pruned to eliminate duplicates Z: 74 78.384 2.429 0.629 0.755 0.973 0.836 CB 1.898 74 residues pruned to eliminate duplicates Z: 74 76.579 2.434 0.607 0.753 0.973 0.795 CB 1.881 74 residues pruned to eliminate duplicates Z: 88 76.887 2.357 0.720 0.692 0.943 0.713 CB 1.810 88 residues pruned to eliminate duplicates Z: 185 121.377 2.395 0.743 0.709 0.967 0.717 CB 1.833 185 residues pruned to eliminate duplicates Z: 91 83.462 2.399 0.657 0.714 0.978 0.722 CB 1.865 91 residues pruned to eliminate duplicates Z: 183 118.695 2.387 0.753 0.679 0.973 0.714 CB 1.835 183 residues pruned to eliminate duplicates Z: 143 109.078 2.448 0.674 0.750 0.951 0.796 CB 1.879 143 residues pruned to eliminate duplicates Z: 129 104.659 2.424 0.748 0.720 0.961 0.734 CB 1.862 129 residues pruned to eliminate duplicates Z: 88 87.533 2.440 0.699 0.744 0.966 0.713 CB 1.885 88 residues pruned to eliminate duplicates Z: 76 76.144 2.405 0.669 0.737 0.947 0.760 CB 1.870 76 residues pruned to eliminate duplicates Z: 91 76.632 2.399 0.632 0.714 0.933 0.744 CB 1.821 91 residues pruned to eliminate duplicates Z: 74 82.401 2.433 0.762 0.752 0.945 0.740 CB 1.902 74 residues pruned to eliminate duplicates Z: 143 116.390 2.448 0.773 0.742 0.965 0.754 CB 1.878 143 residues pruned to eliminate duplicates Z: 90 80.114 2.407 0.673 0.728 0.933 0.787 CB 1.842 90 residues pruned to eliminate duplicates Z: 92 78.670 2.377 0.690 0.706 0.934 0.714 CB 1.823 92 residues pruned to eliminate duplicates Z: 89 84.390 2.441 0.671 0.718 0.977 0.739 CB 1.852 89 residues pruned to eliminate duplicates Z: 96 85.296 2.402 0.678 0.722 0.968 0.737 CB 1.835 96 residues pruned to eliminate duplicates Z: 89 82.757 2.416 0.686 0.738 0.955 0.750 CB 1.833 89 residues pruned to eliminate duplicates Z: 92 86.816 2.400 0.787 0.710 0.956 0.714 CB 1.835 92 residues pruned to eliminate duplicates Z: 145 115.969 2.415 0.792 0.736 0.972 0.729 CB 1.858 145 residues pruned to eliminate duplicates Z: 90 85.611 2.398 0.766 0.718 0.955 0.697 CB 1.842 90 residues pruned to eliminate duplicates Z: 40 60.534 2.418 0.807 0.774 0.923 0.795 CB 1.886 40 residues pruned to eliminate duplicates Z: 97 75.734 2.337 0.673 0.692 0.938 0.698 CB 1.769 97 residues pruned to eliminate duplicates Z: 127 112.536 2.446 0.820 0.727 0.984 0.746 CB 1.864 127 residues pruned to eliminate duplicates Z: 129 109.878 2.429 0.851 0.729 0.953 0.734 CB 1.843 129 residues pruned to eliminate duplicates Z: 130 108.637 2.432 0.808 0.713 0.969 0.752 CB 1.850 130 residues pruned to eliminate duplicates Z: 92 89.366 2.378 0.894 0.723 0.934 0.692 CB 1.821 92 residues pruned to eliminate duplicates Z: 39 73.261 2.445 1.034 0.762 1.000 0.763 CB 1.893 39 residues pruned to eliminate duplicates Z: 90 92.862 2.406 0.842 0.732 0.978 0.753 CB 1.844 90 residues pruned to eliminate duplicates Z: 183 118.464 2.394 0.724 0.715 0.956 0.709 CB 1.831 183 residues pruned to eliminate duplicates Z: 91 85.550 2.395 0.779 0.714 0.956 0.722 CB 1.825 91 residues pruned to eliminate duplicates Z: 90 87.162 2.404 0.826 0.706 0.955 0.652 CB 1.826 90 residues pruned to eliminate duplicates Z: 80 85.886 2.411 0.869 0.725 0.962 0.722 CB 1.820 80 residues pruned to eliminate duplicates Z: 157 119.170 2.408 0.831 0.711 0.962 0.686 CB 1.858 157 residues pruned to eliminate duplicates Z: 90 89.072 2.406 0.849 0.719 0.944 0.618 CB 1.845 90 residues pruned to eliminate duplicates Z: 156 117.223 2.417 0.798 0.726 0.948 0.684 CB 1.864 156 residues pruned to eliminate duplicates Z: 93 88.237 2.370 0.869 0.708 0.957 0.652 CB 1.797 93 residues pruned to eliminate duplicates Z: 157 121.532 2.432 0.809 0.724 0.974 0.744 CB 1.854 157 residues pruned to eliminate duplicates Z: 90 87.221 2.404 0.834 0.733 0.933 0.697 CB 1.823 90 residues pruned to eliminate duplicates Z: 184 123.559 2.394 0.808 0.705 0.956 0.699 CB 1.832 184 residues pruned to eliminate duplicates Z: 143 126.812 2.443 0.917 0.745 0.979 0.746 CB 1.863 143 residues pruned to eliminate duplicates Z: 156 120.591 2.418 0.830 0.722 0.955 0.710 CB 1.875 156 residues pruned to eliminate duplicates Z: 91 90.385 2.390 0.870 0.709 0.956 0.667 CB 1.845 91 residues pruned to eliminate duplicates Z: 129 113.824 2.439 0.877 0.723 0.969 0.727 CB 1.855 129 residues pruned to eliminate duplicates Z: 125 116.431 2.439 0.916 0.745 0.976 0.726 CB 1.841 125 residues pruned to eliminate duplicates Z: 145 120.795 2.428 0.809 0.734 0.986 0.674 CB 1.884 145 residues pruned to eliminate duplicates Z: 143 124.833 2.441 0.913 0.740 0.965 0.704 CB 1.876 143 residues pruned to eliminate duplicates Z: 91 85.819 2.391 0.751 0.711 0.956 0.733 CB 1.868 91 residues pruned to eliminate duplicates Z: 40 69.208 2.411 0.953 0.776 0.974 0.718 CB 1.892 40 residues pruned to eliminate duplicates Z: 89 89.566 2.429 0.813 0.727 0.955 0.659 CB 1.852 89 residues pruned to eliminate duplicates Z: 96 94.680 2.415 0.814 0.734 0.979 0.737 CB 1.836 96 residues pruned to eliminate duplicates Z: 127 111.063 2.433 0.837 0.730 0.968 0.770 CB 1.859 127 residues pruned to eliminate duplicates Z: 13 18.422 2.102 0.248 0.678 1.000 0.583 C 1.721 Z: 8 7.469 1.826 0.085 0.856 0.714 0.571 CB 1.472 7 residues pruned to eliminate duplicates Z: 8 9.340 1.645 0.260 0.803 1.000 0.714 C 1.307 10 residues pruned to eliminate duplicates Z: 6 12.237 1.980 0.962 0.433 1.000 0.400 CA 1.511 6 residues pruned to eliminate duplicates Z: 29 36.098 2.333 0.498 0.610 0.964 0.679 CB 1.823 24 residues pruned to eliminate duplicates Z: 7 7.217 1.957 0.354 0.478 1.000 0.667 CB 1.138 7 residues pruned to eliminate duplicates Z: 56 57.516 2.385 0.714 0.633 0.927 0.600 CB 1.807 29 residues pruned to eliminate duplicates Z: 7 13.515 2.239 0.462 0.626 1.000 0.667 CA 1.497 7 residues pruned to eliminate duplicates Z: 43 45.962 2.395 0.686 0.575 0.905 0.500 CB 1.806 43 residues pruned to eliminate duplicates Z: 29 38.514 2.313 0.713 0.620 0.929 0.643 CB 1.767 29 residues pruned to eliminate duplicates Z: 30 38.881 2.312 0.750 0.589 0.931 0.655 CB 1.760 30 residues pruned to eliminate duplicates Z: 12 9.319 1.806 0.344 0.605 0.818 0.545 CB 1.281 12 residues pruned to eliminate duplicates Z: 30 39.810 2.268 0.754 0.632 0.931 0.690 CB 1.765 29 residues pruned to eliminate duplicates Z: 15 33.042 2.397 0.485 0.870 1.000 0.857 CB 1.812 15 residues pruned to eliminate duplicates Z: 30 37.346 2.324 0.635 0.629 0.931 0.759 CB 1.737 30 residues pruned to eliminate duplicates Z: 53 53.141 2.381 0.564 0.629 1.000 0.635 CB 1.754 53 residues pruned to eliminate duplicates Z: 30 41.048 2.303 0.800 0.623 0.931 0.621 CB 1.758 30 residues pruned to eliminate duplicates Z: 108 86.340 2.394 0.728 0.678 0.944 0.692 CB 1.815 57 residues pruned to eliminate duplicates Z: 15 40.904 2.373 0.810 0.932 1.000 0.929 CB 1.777 15 residues pruned to eliminate duplicates Z: 38 44.187 2.395 0.706 0.573 0.946 0.649 CB 1.752 38 residues pruned to eliminate duplicates Z: 14 41.226 2.399 0.821 0.941 1.000 0.923 CB 1.816 14 residues pruned to eliminate duplicates Z: 57 60.543 2.394 0.675 0.666 0.929 0.679 CB 1.863 57 residues pruned to eliminate duplicates Z: 16 43.255 2.299 0.881 0.904 1.000 0.867 CB 1.839 16 residues pruned to eliminate duplicates Z: 58 57.764 2.346 0.590 0.671 0.965 0.649 CB 1.815 58 residues pruned to eliminate duplicates Z: 14 40.871 2.389 0.796 0.918 1.000 0.769 CB 1.863 14 residues pruned to eliminate duplicates Z: 32 37.365 2.291 0.625 0.555 0.935 0.581 CB 1.827 27 residues pruned to eliminate duplicates Z: 15 36.792 2.400 0.680 0.918 0.929 0.714 CB 1.853 15 residues pruned to eliminate duplicates Z: 58 62.821 2.411 0.701 0.664 0.930 0.614 CB 1.874 58 residues pruned to eliminate duplicates Z: 42 50.112 2.410 0.628 0.601 0.951 0.561 CB 1.905 47 residues pruned to eliminate duplicates Z: 9 17.853 2.153 0.716 0.522 1.000 0.500 CA 1.672 9 residues pruned to eliminate duplicates Z: 36 42.413 2.384 0.636 0.591 0.914 0.629 CB 1.843 36 residues pruned to eliminate duplicates Z: 41 49.718 2.413 0.682 0.613 0.925 0.575 CB 1.881 41 residues pruned to eliminate duplicates Z: 58 64.155 2.432 0.695 0.663 0.947 0.614 CB 1.870 58 residues pruned to eliminate duplicates Z: 19 18.385 2.117 0.529 0.380 0.889 0.389 CB 1.712 19 residues pruned to eliminate duplicates Z: 58 62.226 2.402 0.680 0.659 0.947 0.632 CB 1.860 58 residues pruned to eliminate duplicates Z: 57 56.683 2.364 0.788 0.629 0.875 0.554 CB 1.814 57 residues pruned to eliminate duplicates Z: 60 58.598 2.389 0.664 0.633 0.915 0.593 CB 1.851 60 residues pruned to eliminate duplicates Z: 16 18.442 2.383 0.477 0.439 0.800 0.267 CB 1.801 16 residues pruned to eliminate duplicates Z: 60 61.138 2.383 0.717 0.636 0.932 0.644 CB 1.838 60 residues pruned to eliminate duplicates Z: 58 66.181 2.403 0.778 0.654 0.965 0.561 CB 1.843 58 residues pruned to eliminate duplicates Z: 16 47.429 2.445 0.869 0.936 1.000 0.867 CB 1.867 16 residues pruned to eliminate duplicates Z: 119 97.632 2.416 0.718 0.701 0.975 0.737 CB 1.850 245 residues pruned to eliminate duplicates Z: 29 51.119 2.450 0.817 0.722 0.929 0.536 CB 1.913 Z: 19 47.533 2.290 0.961 0.922 1.000 0.611 CA 1.754 16 residues pruned to eliminate duplicates Z: 19 45.669 2.268 0.872 0.913 1.000 0.778 CA 1.795 19 residues pruned to eliminate duplicates Z: 58 66.283 2.390 0.849 0.632 0.947 0.561 CB 1.852 32 residues pruned to eliminate duplicates Z: 17 50.346 2.292 1.130 0.936 1.000 0.688 CB 1.796 17 residues pruned to eliminate duplicates Z: 59 65.560 2.378 0.787 0.652 0.931 0.621 CB 1.889 59 residues pruned to eliminate duplicates Z: 17 49.427 2.375 1.244 0.908 0.938 0.500 CB 1.757 17 residues pruned to eliminate duplicates Z: 57 67.183 2.428 0.766 0.660 0.964 0.589 CB 1.873 57 residues pruned to eliminate duplicates Z: 14 44.907 2.329 1.237 0.879 0.923 0.692 CA 1.879 14 residues pruned to eliminate duplicates Z: 143 106.485 2.429 0.720 0.729 0.958 0.746 CB 1.817 201 residues pruned to eliminate duplicates Z: 42 50.622 2.367 0.746 0.701 0.927 0.610 CB 1.719 Z: 18 46.352 2.405 0.792 0.920 1.000 0.882 CB 1.837 5 residues pruned to eliminate duplicates Z: 19 36.459 2.187 1.033 0.747 0.889 0.556 CB 1.743 19 residues pruned to eliminate duplicates Z: 96 84.128 2.426 0.677 0.688 0.979 0.737 CB 1.825 55 residues pruned to eliminate duplicates Z: 6 5.061 1.721 0.428 0.266 1.000 0.200 CA 1.202 6 residues pruned to eliminate duplicates Z: 80 72.954 2.424 0.687 0.666 0.949 0.684 CB 1.813 80 residues pruned to eliminate duplicates Z: 185 123.250 2.439 0.736 0.705 0.967 0.701 CB 1.841 281 residues pruned to eliminate duplicates Z: 120 92.659 2.383 0.751 0.669 0.950 0.647 CB 1.833 120 residues pruned to eliminate duplicates Z: 143 110.157 2.450 0.702 0.750 0.965 0.817 CB 1.838 143 residues pruned to eliminate duplicates Z: 17 38.443 2.469 0.627 0.923 1.000 1.000 CB 1.681 Z: 19 37.114 2.246 0.956 0.907 1.000 0.778 CB 1.415 19 residues pruned to eliminate duplicates Z: 18 46.628 2.408 0.870 0.900 1.000 0.882 CB 1.793 18 residues pruned to eliminate duplicates Z: 19 42.172 2.307 0.775 0.923 1.000 0.944 CB 1.705 19 residues pruned to eliminate duplicates Z: 56 67.952 2.425 0.723 0.768 0.982 0.764 CB 1.761 17 residues pruned to eliminate duplicates Z: 17 41.795 2.456 0.752 0.915 1.000 0.750 CB 1.717 17 residues pruned to eliminate duplicates Z: 55 75.651 2.453 0.863 0.788 0.963 0.796 CB 1.816 56 residues pruned to eliminate duplicates Z: 18 47.162 2.427 0.959 0.930 1.000 0.941 CB 1.684 18 residues pruned to eliminate duplicates Z: 144 110.835 2.446 0.755 0.737 0.951 0.769 CB 1.835 199 residues pruned to eliminate duplicates Z: 67 77.825 2.411 0.819 0.763 0.955 0.773 CB 1.811 Z: 18 53.677 2.408 1.139 0.927 1.000 0.882 CB 1.771 18 residues pruned to eliminate duplicates Z: 90 79.618 2.417 0.626 0.709 0.966 0.719 CB 1.837 157 residues pruned to eliminate duplicates Z: 68 75.914 2.393 0.810 0.756 0.955 0.791 CB 1.785 Z: 18 54.019 2.372 1.166 0.916 1.000 0.882 CB 1.801 18 residues pruned to eliminate duplicates Z: 145 114.833 2.443 0.784 0.741 0.965 0.778 CB 1.833 213 residues pruned to eliminate duplicates Z: 55 74.442 2.414 0.935 0.792 0.963 0.704 CB 1.744 Z: 18 34.480 2.293 0.662 0.806 1.000 0.882 CB 1.679 18 residues pruned to eliminate duplicates Z: 17 41.764 2.348 0.687 0.935 1.000 1.000 CB 1.837 17 residues pruned to eliminate duplicates Z: 16 40.384 2.422 0.665 0.909 1.000 1.000 CB 1.835 16 residues pruned to eliminate duplicates Z: 17 40.681 2.322 0.717 0.878 1.000 0.875 CB 1.852 17 residues pruned to eliminate duplicates Z: 17 38.695 2.323 0.533 0.913 1.000 0.938 CB 1.922 17 residues pruned to eliminate duplicates Z: 62 63.637 2.412 0.726 0.712 0.918 0.787 CB 1.759 62 residues pruned to eliminate duplicates Z: 105 74.182 2.345 0.676 0.641 0.923 0.692 CB 1.757 67 residues pruned to eliminate duplicates Z: 17 40.410 2.279 0.719 0.917 1.000 0.938 C 1.821 17 residues pruned to eliminate duplicates Z: 17 41.449 2.324 0.682 0.899 1.000 0.750 CB 1.895 17 residues pruned to eliminate duplicates Z: 32 44.531 2.348 0.558 0.742 0.968 0.806 CB 1.819 16 residues pruned to eliminate duplicates Z: 16 42.564 2.420 0.709 0.903 1.000 0.667 CB 1.895 16 residues pruned to eliminate duplicates Z: 183 126.097 2.456 0.740 0.709 0.967 0.725 CB 1.871 292 residues pruned to eliminate duplicates Z: 69 77.919 2.440 0.844 0.714 0.941 0.706 CB 1.837 Z: 16 44.774 2.429 0.836 0.882 1.000 0.867 CB 1.875 16 residues pruned to eliminate duplicates Z: 17 38.763 2.289 0.795 0.839 1.000 0.750 C 1.761 17 residues pruned to eliminate duplicates Z: 154 114.185 2.451 0.709 0.723 0.961 0.739 CB 1.876 223 residues pruned to eliminate duplicates Z: 83 73.895 2.370 0.769 0.683 0.915 0.720 CB 1.799 Z: 13 19.090 1.981 0.817 0.714 0.917 0.583 C 1.375 13 residues pruned to eliminate duplicates Z: 11 24.218 2.175 0.671 0.860 1.000 0.700 C 1.549 11 residues pruned to eliminate duplicates Z: 12 20.842 2.078 0.472 0.863 1.000 0.818 C 1.508 12 residues pruned to eliminate duplicates Z: 161 114.535 2.437 0.754 0.703 0.950 0.706 CB 1.854 244 residues pruned to eliminate duplicates Z: 72 74.531 2.413 0.719 0.724 0.958 0.746 CB 1.819 Z: 11 22.457 2.090 0.630 0.904 0.900 0.600 C 1.650 12 residues pruned to eliminate duplicates Z: 11 20.464 2.126 0.592 0.794 0.900 0.500 C 1.642 11 residues pruned to eliminate duplicates Z: 30 41.365 2.312 0.628 0.743 0.931 0.793 CB 1.763 30 residues pruned to eliminate duplicates Z: 184 125.945 2.446 0.749 0.712 0.967 0.716 CB 1.855 255 residues pruned to eliminate duplicates Z: 89 82.474 2.439 0.616 0.733 0.955 0.727 CB 1.896 89 residues pruned to eliminate duplicates Z: 144 115.106 2.458 0.746 0.744 0.972 0.797 CB 1.854 144 residues pruned to eliminate duplicates Z: 42 44.540 2.381 0.455 0.668 0.951 0.683 CB 1.807 42 residues pruned to eliminate duplicates Z: 79 80.016 2.468 0.631 0.735 0.962 0.744 CB 1.896 79 residues pruned to eliminate duplicates Z: 143 115.153 2.460 0.737 0.752 0.972 0.782 CB 1.858 143 residues pruned to eliminate duplicates Z: 185 119.621 2.429 0.727 0.705 0.957 0.690 CB 1.825 185 residues pruned to eliminate duplicates Z: 123 112.036 2.471 0.826 0.730 0.984 0.795 CB 1.858 123 residues pruned to eliminate duplicates Z: 96 87.395 2.400 0.726 0.718 0.968 0.695 CB 1.835 96 residues pruned to eliminate duplicates Z: 106 95.536 2.429 0.718 0.740 0.952 0.724 CB 1.892 106 residues pruned to eliminate duplicates Z: 184 124.045 2.443 0.764 0.704 0.962 0.716 CB 1.837 184 residues pruned to eliminate duplicates Z: 128 104.443 2.444 0.741 0.725 0.969 0.764 CB 1.835 128 residues pruned to eliminate duplicates Z: 182 124.121 2.459 0.744 0.705 0.961 0.713 CB 1.857 182 residues pruned to eliminate duplicates Z: 107 90.968 2.424 0.715 0.730 0.972 0.708 CB 1.778 107 residues pruned to eliminate duplicates Z: 145 103.169 2.412 0.786 0.669 0.951 0.722 CB 1.795 145 residues pruned to eliminate duplicates Z: 108 94.102 2.423 0.729 0.720 0.981 0.757 CB 1.813 108 residues pruned to eliminate duplicates Z: 67 66.571 2.417 0.713 0.694 0.924 0.742 CB 1.793 67 residues pruned to eliminate duplicates Z: 144 114.810 2.447 0.763 0.744 0.965 0.776 CB 1.853 144 residues pruned to eliminate duplicates Z: 144 107.330 2.386 0.761 0.736 0.958 0.755 CB 1.805 144 residues pruned to eliminate duplicates Z: 148 107.401 2.413 0.752 0.723 0.959 0.755 CB 1.787 148 residues pruned to eliminate duplicates Z: 147 105.113 2.410 0.733 0.676 0.966 0.719 CB 1.835 147 residues pruned to eliminate duplicates Z: 142 107.219 2.428 0.765 0.727 0.943 0.780 CB 1.820 142 residues pruned to eliminate duplicates Z: 109 98.258 2.423 0.778 0.725 0.972 0.759 CB 1.842 109 residues pruned to eliminate duplicates Z: 94 80.190 2.363 0.736 0.684 0.935 0.742 CB 1.829 94 residues pruned to eliminate duplicates Z: 156 108.925 2.439 0.719 0.698 0.942 0.716 CB 1.849 128 residues pruned to eliminate duplicates Z: 22 47.283 2.436 0.641 0.825 1.000 0.714 CA 1.948 22 residues pruned to eliminate duplicates Z: 106 91.953 2.418 0.734 0.731 0.962 0.714 CB 1.808 106 residues pruned to eliminate duplicates Z: 129 109.710 2.448 0.829 0.730 0.961 0.719 CB 1.833 129 residues pruned to eliminate duplicates Z: 96 78.060 2.387 0.638 0.705 0.937 0.726 CB 1.814 79 residues pruned to eliminate duplicates Z: 16 35.096 2.478 0.516 0.760 1.000 0.800 CB 1.914 16 residues pruned to eliminate duplicates Z: 144 105.956 2.435 0.738 0.692 0.958 0.685 CB 1.833 132 residues pruned to eliminate duplicates Z: 11 29.732 2.454 0.565 0.869 1.000 0.700 CB 1.789 11 residues pruned to eliminate duplicates Z: 107 89.522 2.413 0.739 0.726 0.953 0.726 CB 1.775 107 residues pruned to eliminate duplicates Z: 106 96.420 2.429 0.757 0.735 0.981 0.781 CB 1.820 106 residues pruned to eliminate duplicates Z: 156 117.577 2.458 0.735 0.729 0.961 0.761 CB 1.874 156 residues pruned to eliminate duplicates Z: 51 53.602 2.367 0.508 0.698 0.960 0.760 CB 1.847 51 residues pruned to eliminate duplicates Z: 105 99.515 2.439 0.788 0.749 0.981 0.769 CB 1.827 105 residues pruned to eliminate duplicates Z: 109 89.910 2.379 0.771 0.699 0.954 0.731 CB 1.796 109 residues pruned to eliminate duplicates Z: 89 86.172 2.446 0.639 0.735 0.966 0.750 CB 1.921 51 residues pruned to eliminate duplicates Z: 12 25.166 2.273 0.558 0.880 1.000 0.727 CB 1.552 12 residues pruned to eliminate duplicates Z: 106 92.504 2.424 0.714 0.731 0.952 0.752 CB 1.854 106 residues pruned to eliminate duplicates Z: 143 113.432 2.454 0.740 0.749 0.972 0.796 CB 1.836 143 residues pruned to eliminate duplicates Z: 26 38.683 2.184 0.804 0.759 0.960 0.680 CB 1.626 26 residues pruned to eliminate duplicates Z: 89 89.883 2.423 0.733 0.741 0.977 0.716 CB 1.881 89 residues pruned to eliminate duplicates Z: 183 121.347 2.438 0.754 0.705 0.951 0.731 CB 1.836 184 residues pruned to eliminate duplicates Z: 26 71.708 2.547 0.965 0.928 1.000 0.960 CB 2.006 26 residues pruned to eliminate duplicates Z: 123 113.055 2.465 0.829 0.761 0.967 0.787 CB 1.862 122 residues pruned to eliminate duplicates Z: 27 71.800 2.438 1.107 0.912 1.000 0.885 CB 1.942 27 residues pruned to eliminate duplicates Z: 37 74.757 2.523 0.970 0.830 0.972 0.806 CB 1.939 37 residues pruned to eliminate duplicates Z: 150 113.961 2.402 0.759 0.726 0.987 0.745 CB 1.827 151 residues pruned to eliminate duplicates Z: 20 67.748 2.438 1.383 0.910 0.947 0.789 C 2.002 20 residues pruned to eliminate duplicates Z: 155 114.856 2.445 0.784 0.714 0.955 0.747 CB 1.832 155 residues pruned to eliminate duplicates Z: 51 64.759 2.311 0.927 0.720 0.920 0.700 CB 1.833 51 residues pruned to eliminate duplicates Z: 73 89.273 2.478 0.883 0.766 0.944 0.778 CB 1.885 73 residues pruned to eliminate duplicates Z: 127 106.311 2.449 0.800 0.731 0.952 0.794 CB 1.833 127 residues pruned to eliminate duplicates Z: 185 128.083 2.433 0.818 0.706 0.962 0.685 CB 1.840 185 residues pruned to eliminate duplicates Z: 155 123.672 2.466 0.787 0.732 0.981 0.721 CB 1.873 155 residues pruned to eliminate duplicates Z: 27 81.320 2.464 1.383 0.909 1.000 0.731 CB 1.928 27 residues pruned to eliminate duplicates Z: 90 87.827 2.416 0.838 0.726 0.921 0.674 CB 1.856 90 residues pruned to eliminate duplicates Z: 184 129.059 2.443 0.785 0.717 0.973 0.694 CB 1.848 183 residues pruned to eliminate duplicates Z: 27 77.656 2.472 1.406 0.896 0.923 0.846 CB 1.988 27 residues pruned to eliminate duplicates Z: 143 117.609 2.451 0.826 0.746 0.951 0.775 CB 1.863 143 residues pruned to eliminate duplicates Z: 99 89.495 2.379 0.844 0.699 0.939 0.673 CB 1.830 99 residues pruned to eliminate duplicates Z: 96 90.917 2.391 0.885 0.716 0.937 0.747 CB 1.817 96 residues pruned to eliminate duplicates Z: 156 118.946 2.467 0.795 0.722 0.961 0.729 CB 1.837 156 residues pruned to eliminate duplicates Z: 73 89.345 2.491 0.875 0.770 0.944 0.736 CB 1.880 73 residues pruned to eliminate duplicates Z: 98 86.075 2.365 0.803 0.703 0.938 0.701 CB 1.815 98 residues pruned to eliminate duplicates Z: 40 71.661 2.441 0.971 0.775 1.000 0.718 CB 1.870 40 residues pruned to eliminate duplicates Z: 143 115.931 2.417 0.811 0.737 0.972 0.739 CB 1.849 143 residues pruned to eliminate duplicates Z: 183 124.101 2.451 0.770 0.710 0.951 0.670 CB 1.843 183 residues pruned to eliminate duplicates Z: 41 69.279 2.408 0.967 0.777 0.975 0.700 CB 1.857 41 residues pruned to eliminate duplicates Z: 75 86.130 2.449 0.828 0.748 0.973 0.730 CB 1.841 75 residues pruned to eliminate duplicates Z: 181 119.296 2.417 0.810 0.685 0.950 0.717 CB 1.806 181 residues pruned to eliminate duplicates Z: 89 82.725 2.414 0.738 0.718 0.932 0.739 CB 1.851 6 residues pruned to eliminate duplicates Z: 9 12.725 1.848 0.312 0.829 1.000 0.625 CA 1.396 9 residues pruned to eliminate duplicates Z: 98 87.016 2.370 0.874 0.697 0.938 0.670 CB 1.771 98 residues pruned to eliminate duplicates Z: 43 67.396 2.355 0.948 0.743 0.976 0.833 CB 1.867 43 residues pruned to eliminate duplicates Z: 39 75.885 2.460 1.027 0.805 1.000 0.737 CB 1.891 39 residues pruned to eliminate duplicates 274 residues left after pruning, divided into chains as follows: A: 12 B: 262 CC for partial structure against native data = 30.05 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.528, Connect. = 0.798 for dens.mod. cycle 1 = 0.300, Contrast = 0.592, Connect. = 0.814 for dens.mod. cycle 2 = 0.300, Contrast = 0.700, Connect. = 0.841 for dens.mod. cycle 3 = 0.300, Contrast = 0.705, Connect. = 0.844 for dens.mod. cycle 4 = 0.300, Contrast = 0.714, Connect. = 0.846 for dens.mod. cycle 5 = 0.300, Contrast = 0.717, Connect. = 0.848 for dens.mod. cycle 6 = 0.300, Contrast = 0.722, Connect. = 0.850 for dens.mod. cycle 7 = 0.300, Contrast = 0.724, Connect. = 0.851 for dens.mod. cycle 8 = 0.300, Contrast = 0.727, Connect. = 0.852 for dens.mod. cycle 9 = 0.300, Contrast = 0.729, Connect. = 0.852 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2665 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 578 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 74.532 2.513 1.018 0.927 1.000 0.962 CB 2.020 B: 27 77.209 2.526 1.094 0.919 1.000 0.846 CB 2.017 27 residues pruned to eliminate duplicates C: 26 59.748 2.430 0.929 0.867 0.920 0.720 CB 2.027 26 residues pruned to eliminate duplicates D: 26 63.683 2.491 0.960 0.937 0.960 0.840 CB 1.891 E: 17 42.731 2.445 0.623 0.881 1.000 0.938 CA 1.950 F: 17 35.384 2.494 0.444 0.894 1.000 0.938 CB 1.762 G: 17 46.179 2.496 0.871 0.889 1.000 0.875 CB 1.780 17 residues pruned to eliminate duplicates H: 18 50.523 2.473 0.903 0.911 0.941 0.941 CB 1.960 I: 17 38.993 2.490 0.566 0.911 1.000 0.938 CB 1.772 17 residues pruned to eliminate duplicates J: 19 48.746 2.446 0.653 0.930 1.000 0.833 CA 1.987 K: 18 43.744 2.445 0.700 0.890 1.000 0.824 CB 1.836 18 residues pruned to eliminate duplicates L: 27 78.384 2.501 1.188 0.923 1.000 0.846 CB 1.973 27 residues pruned to eliminate duplicates M: 27 57.419 2.448 0.896 0.931 0.962 0.923 CB 1.763 27 residues pruned to eliminate duplicates N: 17 38.801 2.506 0.571 0.903 1.000 0.938 CB 1.757 17 residues pruned to eliminate duplicates O: 17 31.053 2.284 0.535 0.896 0.875 0.875 CA 1.813 17 residues pruned to eliminate duplicates P: 12 21.057 2.346 0.469 0.656 0.909 0.273 CA 1.753 Q: 18 42.601 2.460 0.541 0.950 1.000 0.941 CB 1.879 18 residues pruned to eliminate duplicates R: 21 70.527 2.498 1.226 0.904 1.000 0.850 C 2.020 21 residues pruned to eliminate duplicates S: 17 46.749 2.543 0.643 0.922 1.000 0.812 CA 1.967 T: 26 66.355 2.491 1.140 0.933 0.920 0.840 CB 1.888 26 residues pruned to eliminate duplicates U: 27 74.977 2.504 1.179 0.889 0.962 0.846 CB 2.018 27 residues pruned to eliminate duplicates V: 13 32.594 2.230 0.565 0.879 1.000 0.917 N 1.955 13 residues pruned to eliminate duplicates W: 26 93.883 2.659 1.257 0.927 1.000 0.960 CB 2.192 27 residues pruned to eliminate duplicates X: 27 78.920 2.508 1.266 0.919 0.962 0.769 CB 1.997 27 residues pruned to eliminate duplicates Y: 11 35.179 2.447 0.634 0.925 1.000 0.900 CA 1.952 11 residues pruned to eliminate duplicates Z: 19 39.821 2.311 0.744 0.835 0.944 0.778 CB 1.847 18 residues pruned to eliminate duplicates Z: 17 46.619 2.473 0.654 0.919 1.000 0.875 CA 2.008 17 residues pruned to eliminate duplicates Z: 21 45.017 2.502 0.583 0.817 0.950 0.800 CB 2.032 17 residues pruned to eliminate duplicates Z: 17 38.722 2.404 0.519 0.879 1.000 0.938 CA 1.922 17 residues pruned to eliminate duplicates Z: 19 40.712 2.429 0.509 0.898 0.944 0.833 CB 1.983 19 residues pruned to eliminate duplicates Z: 26 72.351 2.619 0.839 0.937 1.000 1.000 CB 2.092 26 residues pruned to eliminate duplicates Z: 19 47.891 2.487 0.775 0.924 0.944 0.778 CB 1.902 19 residues pruned to eliminate duplicates Z: 18 44.096 2.490 0.564 0.930 0.941 0.941 CB 2.040 18 residues pruned to eliminate duplicates Z: 18 42.726 2.451 0.438 0.915 1.000 0.882 CA 2.078 18 residues pruned to eliminate duplicates Z: 17 40.223 2.406 0.586 0.906 1.000 1.000 CA 1.874 17 residues pruned to eliminate duplicates Z: 18 49.034 2.456 0.757 0.929 1.000 0.941 C 1.929 21 residues pruned to eliminate duplicates Z: 18 40.381 2.514 0.364 0.928 1.000 0.882 CB 2.000 18 residues pruned to eliminate duplicates Z: 27 74.385 2.531 1.060 0.937 0.962 0.885 CB 2.024 27 residues pruned to eliminate duplicates Z: 21 41.331 2.443 0.813 0.792 0.900 0.650 CB 1.795 21 residues pruned to eliminate duplicates Z: 17 44.423 2.420 0.695 0.904 1.000 0.688 CA 1.929 17 residues pruned to eliminate duplicates Z: 17 44.663 2.451 0.631 0.921 1.000 0.938 CB 1.966 17 residues pruned to eliminate duplicates Z: 17 47.265 2.530 0.519 0.948 1.000 0.938 CB 2.123 18 residues pruned to eliminate duplicates Z: 18 44.704 2.292 0.813 0.913 1.000 0.882 CA 1.846 18 residues pruned to eliminate duplicates Z: 17 61.656 2.519 1.116 0.946 1.000 0.750 C 2.000 17 residues pruned to eliminate duplicates Z: 27 80.174 2.478 1.275 0.912 1.000 0.731 CB 1.976 27 residues pruned to eliminate duplicates Z: 18 38.469 2.504 0.387 0.934 1.000 0.882 CB 1.875 18 residues pruned to eliminate duplicates Z: 17 44.302 2.621 0.453 0.939 1.000 0.938 CB 2.022 17 residues pruned to eliminate duplicates Z: 17 45.149 2.555 0.450 0.949 1.000 0.875 CB 2.103 17 residues pruned to eliminate duplicates Z: 13 39.996 2.414 0.686 0.911 1.000 0.833 CB 2.012 13 residues pruned to eliminate duplicates Z: 17 47.399 2.425 0.708 0.921 1.000 1.000 CB 2.014 17 residues pruned to eliminate duplicates Z: 18 57.481 2.353 1.219 0.924 1.000 0.824 CB 1.875 19 residues pruned to eliminate duplicates Z: 23 40.786 2.417 0.572 0.845 0.909 0.818 CB 1.872 23 residues pruned to eliminate duplicates Z: 27 53.358 2.437 0.672 0.925 1.000 0.923 CB 1.802 27 residues pruned to eliminate duplicates Z: 8 9.181 1.863 0.088 0.732 0.857 0.571 CA 1.622 8 residues pruned to eliminate duplicates Z: 18 38.007 2.469 0.542 0.916 1.000 0.824 CB 1.710 18 residues pruned to eliminate duplicates Z: 11 30.076 2.233 0.692 0.919 1.000 1.000 C 1.774 Z: 27 59.186 2.428 1.094 0.889 0.962 0.769 CB 1.709 27 residues pruned to eliminate duplicates Z: 18 43.979 2.452 0.567 0.905 1.000 0.882 CA 1.976 18 residues pruned to eliminate duplicates Z: 17 33.439 2.376 0.400 0.898 0.938 0.875 CA 1.919 17 residues pruned to eliminate duplicates Z: 18 42.037 2.439 0.645 0.929 0.941 0.882 CA 1.890 18 residues pruned to eliminate duplicates Z: 17 41.337 2.437 0.603 0.898 1.000 1.000 CA 1.892 17 residues pruned to eliminate duplicates Z: 17 38.544 2.386 0.467 0.937 1.000 1.000 CB 1.915 17 residues pruned to eliminate duplicates Z: 27 57.429 2.427 0.936 0.922 0.962 0.885 CB 1.752 27 residues pruned to eliminate duplicates Z: 13 52.414 2.551 0.982 0.930 1.000 0.917 CB 2.093 13 residues pruned to eliminate duplicates Z: 18 55.479 2.400 1.002 0.889 1.000 0.706 C 2.016 18 residues pruned to eliminate duplicates Z: 14 24.269 2.213 0.372 0.819 0.923 0.769 CB 1.820 14 residues pruned to eliminate duplicates Z: 19 40.951 2.345 0.562 0.909 1.000 0.944 CB 1.870 19 residues pruned to eliminate duplicates Z: 17 29.300 2.358 0.151 0.901 1.000 1.000 CA 1.926 17 residues pruned to eliminate duplicates Z: 7 17.241 2.027 0.498 0.813 1.000 0.500 CA 1.765 7 residues pruned to eliminate duplicates Z: 17 44.694 2.569 0.794 0.898 0.875 0.875 CB 1.981 17 residues pruned to eliminate duplicates Z: 14 33.118 2.321 0.536 0.911 1.000 0.846 CA 1.826 14 residues pruned to eliminate duplicates Z: 18 33.150 2.437 0.230 0.924 1.000 0.941 CB 1.883 18 residues pruned to eliminate duplicates Z: 18 43.489 2.271 0.921 0.871 0.941 0.882 C 1.873 18 residues pruned to eliminate duplicates Z: 18 44.478 2.521 0.470 0.893 1.000 0.882 CB 2.090 18 residues pruned to eliminate duplicates Z: 27 88.549 2.534 1.354 0.931 1.000 0.923 CB 2.034 27 residues pruned to eliminate duplicates Z: 18 42.966 2.354 0.755 0.891 0.941 0.882 CA 1.927 18 residues pruned to eliminate duplicates Z: 11 27.382 2.227 0.587 0.927 1.000 1.000 C 1.716 11 residues pruned to eliminate duplicates Z: 16 40.298 2.461 0.609 0.883 1.000 0.800 CB 1.900 16 residues pruned to eliminate duplicates Z: 18 48.272 2.479 0.603 0.949 1.000 1.000 C 2.033 18 residues pruned to eliminate duplicates Z: 18 45.218 2.446 0.641 0.921 1.000 0.941 CB 1.924 18 residues pruned to eliminate duplicates Z: 26 90.888 2.605 1.278 0.916 1.000 0.680 CB 2.162 26 residues pruned to eliminate duplicates Z: 18 45.266 2.464 0.942 0.890 0.882 0.824 CB 1.871 18 residues pruned to eliminate duplicates Z: 14 26.381 2.258 0.250 0.942 1.000 0.846 CB 1.798 Z: 25 60.125 2.532 0.848 0.934 1.000 0.875 CB 1.828 25 residues pruned to eliminate duplicates Z: 11 26.896 2.272 0.489 0.879 1.000 0.800 C 1.823 11 residues pruned to eliminate duplicates Z: 17 47.607 2.424 0.737 0.896 1.000 0.750 CA 2.025 17 residues pruned to eliminate duplicates Z: 19 49.888 2.261 0.928 0.893 1.000 0.889 CB 1.937 19 residues pruned to eliminate duplicates Z: 26 70.263 2.512 1.069 0.951 0.960 0.760 CB 1.942 26 residues pruned to eliminate duplicates Z: 12 23.227 2.162 0.350 0.909 1.000 0.909 C 1.703 12 residues pruned to eliminate duplicates Z: 17 52.496 2.532 1.077 0.927 1.000 0.938 CB 1.749 18 residues pruned to eliminate duplicates Z: 17 36.621 2.475 0.800 0.851 0.875 0.750 CB 1.738 17 residues pruned to eliminate duplicates Z: 13 23.219 2.202 0.399 0.845 0.917 0.583 C 1.765 Z: 26 55.979 2.449 0.899 0.901 0.960 0.800 CB 1.790 26 residues pruned to eliminate duplicates Z: 18 33.859 2.413 0.384 0.913 1.000 0.882 CB 1.740 18 residues pruned to eliminate duplicates Z: 15 40.591 2.644 0.579 0.914 0.929 0.929 CB 1.980 15 residues pruned to eliminate duplicates Z: 38 77.198 2.582 0.885 0.799 1.000 0.622 CB 2.007 28 residues pruned to eliminate duplicates Z: 27 54.551 2.433 0.768 0.932 1.000 0.923 CB 1.737 27 residues pruned to eliminate duplicates Z: 6 10.619 2.128 0.441 0.674 0.800 0.400 C 1.648 Z: 26 81.165 2.624 1.044 0.910 1.000 0.880 CB 2.147 26 residues pruned to eliminate duplicates Z: 99 79.053 2.416 0.637 0.674 0.939 0.684 CB 1.832 61 residues pruned to eliminate duplicates Z: 26 60.315 2.440 0.984 0.894 0.960 0.760 CB 1.862 26 residues pruned to eliminate duplicates Z: 14 26.647 2.282 0.304 0.938 1.000 0.923 CB 1.727 14 residues pruned to eliminate duplicates Z: 18 44.066 2.453 0.488 0.908 1.000 0.882 CB 2.080 18 residues pruned to eliminate duplicates Z: 26 68.961 2.525 1.123 0.936 0.960 0.880 CB 1.867 26 residues pruned to eliminate duplicates Z: 26 68.002 2.542 0.992 0.938 1.000 0.920 CB 1.868 26 residues pruned to eliminate duplicates Z: 11 29.720 2.531 0.371 0.905 1.000 1.000 CB 1.928 11 residues pruned to eliminate duplicates Z: 19 35.106 2.310 0.401 0.903 1.000 0.944 CA 1.822 19 residues pruned to eliminate duplicates Z: 18 40.434 2.447 0.579 0.918 0.941 0.882 CB 1.903 18 residues pruned to eliminate duplicates Z: 17 39.951 2.420 0.646 0.915 1.000 0.938 CB 1.772 17 residues pruned to eliminate duplicates Z: 11 27.543 2.247 0.617 0.926 1.000 1.000 C 1.681 11 residues pruned to eliminate duplicates Z: 18 34.050 2.455 0.384 0.934 1.000 0.941 CB 1.696 18 residues pruned to eliminate duplicates Z: 18 49.537 2.477 0.892 0.937 1.000 0.882 CB 1.783 18 residues pruned to eliminate duplicates Z: 18 56.525 2.347 1.126 0.907 1.000 0.706 CB 1.953 18 residues pruned to eliminate duplicates Z: 17 45.545 2.611 0.496 0.943 1.000 0.875 CB 2.019 17 residues pruned to eliminate duplicates Z: 11 16.608 2.045 0.155 0.916 1.000 1.000 CA 1.569 11 residues pruned to eliminate duplicates Z: 11 19.682 2.089 0.263 0.936 1.000 0.900 CA 1.643 11 residues pruned to eliminate duplicates Z: 12 22.713 2.210 0.526 0.890 1.000 0.727 CB 1.460 Z: 27 81.174 2.514 1.306 0.915 0.962 0.654 CB 2.018 27 residues pruned to eliminate duplicates Z: 11 22.066 2.185 0.671 0.799 0.900 0.800 C 1.634 11 residues pruned to eliminate duplicates Z: 12 20.093 2.205 0.405 0.832 1.000 0.727 CB 1.469 13 residues pruned to eliminate duplicates Z: 27 68.430 2.461 1.125 0.909 0.962 0.846 CB 1.894 27 residues pruned to eliminate duplicates Z: 14 25.193 2.240 0.276 0.928 1.000 0.769 CB 1.712 14 residues pruned to eliminate duplicates Z: 27 65.396 2.530 0.906 0.898 0.962 0.885 CB 1.979 27 residues pruned to eliminate duplicates Z: 11 24.667 2.209 0.480 0.859 1.000 0.700 CB 1.756 11 residues pruned to eliminate duplicates Z: 18 44.161 2.446 0.691 0.882 1.000 0.824 CB 1.873 18 residues pruned to eliminate duplicates Z: 15 25.152 2.240 0.211 0.914 1.000 0.857 CB 1.752 15 residues pruned to eliminate duplicates Z: 12 18.914 2.076 0.320 0.881 1.000 0.909 C 1.507 12 residues pruned to eliminate duplicates Z: 15 23.589 2.229 0.121 0.925 1.000 0.857 CB 1.771 15 residues pruned to eliminate duplicates Z: 11 14.651 2.161 0.117 0.788 0.900 0.800 C 1.655 11 residues pruned to eliminate duplicates Z: 12 19.681 2.137 0.392 0.864 1.000 0.636 CB 1.462 12 residues pruned to eliminate duplicates Z: 18 51.710 2.458 0.983 0.942 1.000 0.882 CB 1.785 17 residues pruned to eliminate duplicates Z: 12 23.429 2.200 0.460 0.898 1.000 0.909 CB 1.574 12 residues pruned to eliminate duplicates Z: 15 35.744 2.420 0.697 0.889 0.929 0.857 CB 1.803 15 residues pruned to eliminate duplicates Z: 18 40.415 2.498 0.552 0.921 1.000 1.000 CB 1.779 18 residues pruned to eliminate duplicates Z: 17 26.027 2.039 0.434 0.905 1.000 0.688 CB 1.584 17 residues pruned to eliminate duplicates Z: 18 44.632 2.450 0.543 0.943 1.000 0.941 CB 1.983 18 residues pruned to eliminate duplicates Z: 12 18.715 2.245 0.176 0.837 1.000 0.818 CB 1.598 12 residues pruned to eliminate duplicates Z: 27 69.929 2.522 0.932 0.906 1.000 0.923 CB 2.002 27 residues pruned to eliminate duplicates Z: 11 22.428 2.246 0.577 0.838 0.900 0.700 C 1.663 11 residues pruned to eliminate duplicates Z: 17 52.525 2.538 0.731 0.940 1.000 0.812 CB 2.076 17 residues pruned to eliminate duplicates Z: 7 9.870 2.208 -0.001 0.801 0.833 0.667 CA 1.685 7 residues pruned to eliminate duplicates Z: 88 98.037 2.468 0.857 0.744 0.966 0.736 CB 1.909 71 residues pruned to eliminate duplicates Z: 26 90.674 2.617 1.283 0.940 1.000 0.880 CB 2.109 26 residues pruned to eliminate duplicates Z: 18 38.934 2.439 0.590 0.884 0.941 0.882 CA 1.868 18 residues pruned to eliminate duplicates Z: 16 46.490 2.461 0.856 0.902 0.933 0.867 CB 2.008 16 residues pruned to eliminate duplicates Z: 18 35.807 2.449 0.389 0.933 0.941 0.941 CB 1.894 18 residues pruned to eliminate duplicates Z: 11 20.755 2.261 0.210 0.857 1.000 0.800 CB 1.767 11 residues pruned to eliminate duplicates Z: 17 43.170 2.532 0.573 0.920 1.000 0.938 CA 1.909 17 residues pruned to eliminate duplicates Z: 21 37.938 2.508 0.444 0.806 0.900 0.750 CB 1.993 21 residues pruned to eliminate duplicates Z: 11 20.640 2.349 0.303 0.792 0.900 0.500 C 1.834 11 residues pruned to eliminate duplicates Z: 12 19.079 2.248 0.240 0.901 1.000 1.000 CB 1.473 12 residues pruned to eliminate duplicates Z: 27 50.429 2.441 0.717 0.898 0.962 0.885 CB 1.755 27 residues pruned to eliminate duplicates Z: 18 44.434 2.402 0.732 0.952 1.000 0.882 C 1.785 18 residues pruned to eliminate duplicates Z: 26 95.516 2.597 1.426 0.933 1.000 0.680 CB 2.117 36 residues pruned to eliminate duplicates Z: 19 58.620 2.371 1.078 0.938 1.000 0.833 CA 1.950 19 residues pruned to eliminate duplicates Z: 12 29.390 2.296 0.551 0.902 1.000 0.727 CB 1.776 12 residues pruned to eliminate duplicates Z: 18 41.024 2.423 0.832 0.914 0.941 0.647 CB 1.684 18 residues pruned to eliminate duplicates Z: 11 23.819 2.214 0.456 0.843 1.000 0.800 C 1.740 11 residues pruned to eliminate duplicates Z: 14 18.296 1.983 0.341 0.940 1.000 1.000 CB 1.325 Z: 13 21.328 2.185 0.407 0.878 0.917 0.833 CB 1.586 13 residues pruned to eliminate duplicates Z: 16 12.196 2.026 0.157 0.587 0.800 0.600 CB 1.543 14 residues pruned to eliminate duplicates Z: 6 7.370 1.951 0.223 0.700 0.800 0.400 CA 1.439 6 residues pruned to eliminate duplicates Z: 17 43.087 2.418 0.650 0.904 1.000 0.875 CA 1.924 17 residues pruned to eliminate duplicates Z: 17 37.179 2.386 0.428 0.942 1.000 1.000 CB 1.893 17 residues pruned to eliminate duplicates Z: 16 33.090 2.221 0.705 0.902 1.000 1.000 CB 1.609 18 residues pruned to eliminate duplicates Z: 27 67.394 2.466 1.233 0.901 0.923 0.808 CB 1.856 27 residues pruned to eliminate duplicates Z: 26 65.374 2.477 1.060 0.938 0.960 0.840 CB 1.856 26 residues pruned to eliminate duplicates Z: 15 26.050 2.236 0.176 0.932 1.000 0.786 CB 1.849 15 residues pruned to eliminate duplicates Z: 18 42.050 2.506 0.582 0.915 0.941 0.941 CB 1.932 18 residues pruned to eliminate duplicates Z: 10 29.993 2.413 0.563 0.921 1.000 0.667 C 1.865 10 residues pruned to eliminate duplicates Z: 18 34.565 2.492 0.372 0.904 1.000 0.941 CB 1.748 18 residues pruned to eliminate duplicates Z: 17 20.630 2.018 0.243 0.776 1.000 0.750 CA 1.611 17 residues pruned to eliminate duplicates Z: 18 56.442 2.522 0.947 0.899 1.000 0.882 CB 1.993 18 residues pruned to eliminate duplicates Z: 144 103.705 2.366 0.788 0.742 0.958 0.811 CB 1.722 93 residues pruned to eliminate duplicates Z: 11 22.441 2.149 0.519 0.902 1.000 0.500 C 1.551 11 residues pruned to eliminate duplicates Z: 11 15.556 1.987 0.322 0.672 1.000 0.400 C 1.597 3 residues pruned to eliminate duplicates Z: 9 26.068 2.401 0.437 0.913 1.000 1.000 CB 1.890 9 residues pruned to eliminate duplicates Z: 14 36.977 2.339 0.931 0.834 0.923 0.769 CB 1.844 14 residues pruned to eliminate duplicates Z: 13 14.943 2.062 0.356 0.784 0.917 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 16 30.368 2.105 0.748 0.917 1.000 0.867 CB 1.504 16 residues pruned to eliminate duplicates Z: 12 24.410 2.224 0.558 0.742 0.909 0.455 C 1.882 11 residues pruned to eliminate duplicates Z: 11 14.501 2.185 -0.049 0.811 1.000 0.700 C 1.682 11 residues pruned to eliminate duplicates Z: 18 38.554 2.524 0.453 0.934 0.941 0.941 CB 1.890 18 residues pruned to eliminate duplicates Z: 12 20.885 2.288 0.575 0.794 0.818 0.455 CA 1.650 12 residues pruned to eliminate duplicates Z: 27 69.548 2.378 1.270 0.949 0.962 0.654 CB 1.814 27 residues pruned to eliminate duplicates Z: 11 22.092 2.032 0.494 0.850 1.000 0.800 C 1.705 11 residues pruned to eliminate duplicates Z: 12 14.685 1.931 0.393 0.733 1.000 0.636 CA 1.336 12 residues pruned to eliminate duplicates Z: 14 25.114 2.042 0.744 0.924 1.000 0.769 CB 1.373 14 residues pruned to eliminate duplicates Z: 22 39.070 2.452 0.498 0.816 0.952 0.857 CA 1.851 22 residues pruned to eliminate duplicates Z: 8 10.713 2.029 -0.018 0.772 1.000 0.857 CB 1.597 6 residues pruned to eliminate duplicates Z: 15 26.164 2.166 0.403 0.896 1.000 0.714 CB 1.648 14 residues pruned to eliminate duplicates Z: 18 43.660 2.427 0.602 0.936 1.000 0.882 CA 1.897 18 residues pruned to eliminate duplicates Z: 11 17.803 2.229 0.085 0.783 1.000 0.600 CA 1.814 11 residues pruned to eliminate duplicates Z: 17 41.231 2.446 0.498 0.928 1.000 0.875 CA 1.969 17 residues pruned to eliminate duplicates Z: 12 20.109 2.259 0.173 0.743 1.000 0.727 C 1.841 14 residues pruned to eliminate duplicates Z: 13 14.562 2.152 0.056 0.676 0.917 0.750 CB 1.715 12 residues pruned to eliminate duplicates Z: 11 21.877 2.360 0.429 0.852 0.900 0.800 CB 1.685 11 residues pruned to eliminate duplicates Z: 19 45.187 2.320 0.838 0.851 0.944 0.889 CA 1.958 19 residues pruned to eliminate duplicates Z: 27 46.816 2.432 0.608 0.921 0.962 0.885 CB 1.718 27 residues pruned to eliminate duplicates Z: 13 23.234 2.212 0.555 0.833 0.833 0.667 CB 1.755 13 residues pruned to eliminate duplicates Z: 27 67.260 2.510 0.887 0.904 1.000 0.885 CB 1.984 27 residues pruned to eliminate duplicates Z: 16 35.672 2.226 0.762 0.927 1.000 0.800 CB 1.646 16 residues pruned to eliminate duplicates Z: 17 29.427 2.107 0.807 0.923 1.000 0.875 CB 1.358 17 residues pruned to eliminate duplicates Z: 16 29.430 2.217 0.559 0.913 1.000 0.933 CB 1.556 16 residues pruned to eliminate duplicates Z: 18 56.765 2.506 1.041 0.904 1.000 0.882 CB 1.917 18 residues pruned to eliminate duplicates Z: 10 20.074 2.355 0.075 0.873 1.000 0.778 CA 1.925 10 residues pruned to eliminate duplicates Z: 11 28.564 2.276 0.567 0.914 1.000 0.800 C 1.792 12 residues pruned to eliminate duplicates Z: 9 17.056 2.271 0.180 0.771 1.000 0.500 CA 1.771 10 residues pruned to eliminate duplicates Z: 14 24.191 2.022 0.685 0.928 1.000 0.769 CB 1.379 14 residues pruned to eliminate duplicates Z: 11 21.754 2.232 0.313 0.757 1.000 0.500 CA 1.868 11 residues pruned to eliminate duplicates Z: 16 25.707 2.156 0.692 0.932 1.000 0.933 CB 1.270 16 residues pruned to eliminate duplicates Z: 26 55.261 2.469 0.761 0.901 1.000 0.760 CB 1.814 26 residues pruned to eliminate duplicates Z: 17 36.510 2.119 0.978 0.945 1.000 0.875 CB 1.507 17 residues pruned to eliminate duplicates Z: 10 16.835 2.115 0.209 0.802 1.000 0.667 C 1.685 10 residues pruned to eliminate duplicates Z: 27 81.320 2.467 1.268 0.932 1.000 0.692 CB 1.990 27 residues pruned to eliminate duplicates Z: 18 43.656 2.463 0.683 0.925 0.941 0.882 CA 1.904 18 residues pruned to eliminate duplicates Z: 18 28.849 2.073 0.659 0.923 1.000 0.824 CB 1.430 18 residues pruned to eliminate duplicates Z: 10 30.645 2.290 0.692 0.935 1.000 0.556 C 1.838 10 residues pruned to eliminate duplicates Z: 11 15.574 2.204 0.272 0.727 0.800 0.500 C 1.789 12 residues pruned to eliminate duplicates Z: 15 25.791 2.172 0.429 0.940 1.000 1.000 CA 1.542 15 residues pruned to eliminate duplicates Z: 18 38.058 2.425 0.345 0.953 1.000 1.000 CB 1.947 18 residues pruned to eliminate duplicates Z: 58 58.957 2.387 0.564 0.684 0.947 0.667 CB 1.866 45 residues pruned to eliminate duplicates Z: 19 45.587 2.413 0.698 0.915 1.000 0.778 CB 1.854 19 residues pruned to eliminate duplicates Z: 7 7.636 2.041 -0.276 0.812 1.000 0.833 CA 1.607 7 residues pruned to eliminate duplicates Z: 27 72.968 2.497 1.044 0.896 1.000 0.808 CB 2.008 27 residues pruned to eliminate duplicates Z: 17 35.230 2.544 0.401 0.900 1.000 0.938 CB 1.764 17 residues pruned to eliminate duplicates Z: 13 23.009 2.167 0.545 0.806 1.000 0.833 CB 1.519 13 residues pruned to eliminate duplicates Z: 87 80.214 2.450 0.688 0.676 0.930 0.709 CB 1.913 84 residues pruned to eliminate duplicates Z: 44 37.548 2.301 0.442 0.593 0.930 0.558 CB 1.698 44 residues pruned to eliminate duplicates Z: 18 29.535 2.068 0.891 0.906 1.000 1.000 CB 1.303 18 residues pruned to eliminate duplicates Z: 17 43.029 2.389 0.619 0.925 1.000 0.938 CB 1.952 17 residues pruned to eliminate duplicates Z: 26 73.163 2.526 1.115 0.930 1.000 0.920 CB 1.916 26 residues pruned to eliminate duplicates Z: 16 31.295 2.167 0.929 0.932 1.000 0.933 CB 1.350 16 residues pruned to eliminate duplicates Z: 19 58.069 2.417 1.154 0.921 0.944 0.722 CB 1.960 19 residues pruned to eliminate duplicates Z: 13 20.584 2.163 0.305 0.873 1.000 0.750 CB 1.533 13 residues pruned to eliminate duplicates Z: 18 42.895 2.438 0.563 0.923 1.000 0.882 CB 1.917 18 residues pruned to eliminate duplicates Z: 11 12.825 1.971 0.472 0.735 0.800 0.400 CA 1.415 10 residues pruned to eliminate duplicates Z: 43 38.409 2.334 0.367 0.596 0.952 0.595 CB 1.779 43 residues pruned to eliminate duplicates Z: 13 16.488 2.171 0.243 0.800 0.833 0.667 CB 1.628 13 residues pruned to eliminate duplicates Z: 44 38.017 2.307 0.401 0.595 0.930 0.628 CB 1.762 44 residues pruned to eliminate duplicates Z: 18 25.257 2.095 0.348 0.947 1.000 0.941 CB 1.499 18 residues pruned to eliminate duplicates Z: 12 18.968 2.348 0.158 0.878 0.909 0.727 CB 1.679 12 residues pruned to eliminate duplicates Z: 18 40.831 2.299 0.670 0.884 1.000 0.882 CA 1.863 18 residues pruned to eliminate duplicates Z: 17 39.145 2.416 0.559 0.896 1.000 1.000 CB 1.861 17 residues pruned to eliminate duplicates Z: 18 30.030 2.047 0.943 0.901 1.000 0.941 CB 1.307 18 residues pruned to eliminate duplicates Z: 14 23.968 2.127 0.521 0.897 1.000 1.000 CB 1.471 14 residues pruned to eliminate duplicates Z: 15 30.046 2.251 0.550 0.864 0.929 0.786 CB 1.817 15 residues pruned to eliminate duplicates Z: 21 15.670 2.137 0.367 0.417 0.850 0.350 CB 1.538 21 residues pruned to eliminate duplicates Z: 17 19.050 2.021 0.230 0.853 0.938 0.688 CB 1.511 17 residues pruned to eliminate duplicates Z: 14 22.074 2.037 0.552 0.942 1.000 0.923 CB 1.343 14 residues pruned to eliminate duplicates Z: 16 27.759 2.162 0.520 0.942 1.000 1.000 CB 1.512 16 residues pruned to eliminate duplicates Z: 16 28.690 2.134 0.573 0.885 0.933 0.800 CA 1.707 16 residues pruned to eliminate duplicates Z: 18 47.460 2.437 0.730 0.930 1.000 0.941 CB 1.909 18 residues pruned to eliminate duplicates Z: 18 39.218 2.405 0.492 0.914 1.000 0.941 CA 1.874 18 residues pruned to eliminate duplicates Z: 58 51.432 2.401 0.379 0.679 0.947 0.614 CB 1.841 58 residues pruned to eliminate duplicates Z: 26 81.982 2.574 1.150 0.930 1.000 0.960 C 2.072 26 residues pruned to eliminate duplicates Z: 14 23.847 2.027 0.695 0.918 1.000 0.846 CB 1.358 14 residues pruned to eliminate duplicates Z: 17 22.272 2.030 0.339 0.873 0.938 0.812 CA 1.591 17 residues pruned to eliminate duplicates Z: 12 23.814 2.075 0.787 0.850 0.909 0.455 C 1.578 12 residues pruned to eliminate duplicates Z: 16 29.262 2.153 0.732 0.925 1.000 0.933 CB 1.422 16 residues pruned to eliminate duplicates Z: 14 22.378 2.031 0.551 0.934 1.000 0.923 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 26.829 2.208 0.420 0.894 1.000 0.667 CB 1.773 13 residues pruned to eliminate duplicates Z: 12 21.210 2.352 0.121 0.905 1.000 0.636 CB 1.726 12 residues pruned to eliminate duplicates Z: 37 29.248 2.203 0.372 0.565 0.944 0.611 CB 1.604 37 residues pruned to eliminate duplicates Z: 19 42.549 2.338 0.722 0.862 0.944 0.833 CA 1.937 19 residues pruned to eliminate duplicates Z: 19 36.468 2.265 0.429 0.915 1.000 0.722 CB 1.877 19 residues pruned to eliminate duplicates Z: 18 41.309 2.348 0.768 0.920 0.941 0.882 CA 1.807 18 residues pruned to eliminate duplicates Z: 16 31.250 2.220 0.626 0.932 1.000 1.000 CB 1.561 16 residues pruned to eliminate duplicates Z: 16 30.531 2.219 0.593 0.929 1.000 0.933 CB 1.561 16 residues pruned to eliminate duplicates Z: 16 32.336 2.226 0.722 0.906 1.000 0.933 CB 1.550 16 residues pruned to eliminate duplicates Z: 15 26.779 2.148 0.533 0.885 0.929 0.429 CB 1.691 15 residues pruned to eliminate duplicates Z: 11 28.461 2.352 0.539 0.780 1.000 0.600 C 1.942 11 residues pruned to eliminate duplicates Z: 13 17.990 2.067 0.424 0.834 0.917 0.833 CB 1.442 13 residues pruned to eliminate duplicates Z: 11 22.872 2.159 0.428 0.860 1.000 0.900 CB 1.724 11 residues pruned to eliminate duplicates Z: 15 30.060 2.228 0.627 0.919 1.000 0.929 CB 1.561 15 residues pruned to eliminate duplicates Z: 19 30.941 2.007 0.910 0.841 0.944 0.889 CB 1.502 19 residues pruned to eliminate duplicates Z: 16 38.666 2.238 0.916 0.934 1.000 0.867 CB 1.624 16 residues pruned to eliminate duplicates Z: 7 11.590 2.040 0.053 0.801 1.000 0.833 CA 1.693 7 residues pruned to eliminate duplicates Z: 130 104.829 2.479 0.666 0.720 0.969 0.806 CB 1.891 130 residues pruned to eliminate duplicates Z: 16 27.797 2.163 0.601 0.931 1.000 0.933 CB 1.448 16 residues pruned to eliminate duplicates Z: 13 21.238 2.187 0.657 0.796 0.833 0.667 CB 1.567 13 residues pruned to eliminate duplicates Z: 8 10.671 1.876 0.025 0.863 1.000 1.000 CA 1.539 7 residues pruned to eliminate duplicates Z: 96 92.191 2.445 0.712 0.728 0.979 0.726 CB 1.880 96 residues pruned to eliminate duplicates Z: 43 37.739 2.345 0.426 0.611 0.905 0.619 CB 1.733 43 residues pruned to eliminate duplicates Z: 6 12.749 2.067 0.293 0.832 1.000 0.800 N 1.603 6 residues pruned to eliminate duplicates Z: 6 8.201 1.828 0.541 0.718 0.800 0.600 CA 1.336 6 residues pruned to eliminate duplicates Z: 17 50.807 2.443 0.864 0.913 1.000 0.750 CA 1.973 17 residues pruned to eliminate duplicates Z: 18 47.469 2.411 0.920 0.876 0.941 0.647 CB 1.921 18 residues pruned to eliminate duplicates Z: 17 28.025 2.159 0.577 0.920 1.000 0.938 CB 1.450 17 residues pruned to eliminate duplicates Z: 17 33.423 2.132 0.803 0.933 1.000 0.812 CA 1.517 17 residues pruned to eliminate duplicates Z: 18 48.048 2.448 0.750 0.906 1.000 0.882 CB 1.935 18 residues pruned to eliminate duplicates Z: 10 23.913 2.126 0.535 0.904 1.000 0.889 C 1.740 10 residues pruned to eliminate duplicates Z: 28 31.458 2.249 0.638 0.622 0.778 0.556 CB 1.882 28 residues pruned to eliminate duplicates Z: 8 18.006 2.086 0.618 0.774 1.000 0.571 C 1.583 8 residues pruned to eliminate duplicates Z: 6 11.236 2.173 0.025 0.867 1.000 0.800 C 1.651 6 residues pruned to eliminate duplicates Z: 12 19.583 2.130 0.352 0.819 0.909 0.818 C 1.710 12 residues pruned to eliminate duplicates Z: 11 32.249 2.363 0.591 0.867 1.000 0.700 CA 1.984 11 residues pruned to eliminate duplicates Z: 7 7.195 1.760 0.202 0.806 0.833 0.833 CA 1.276 7 residues pruned to eliminate duplicates Z: 12 19.256 2.022 0.752 0.928 0.909 0.727 CB 1.262 12 residues pruned to eliminate duplicates Z: 16 33.916 2.184 0.890 0.935 1.000 0.933 CB 1.478 16 residues pruned to eliminate duplicates Z: 15 44.608 2.316 1.020 0.897 1.000 0.929 CB 1.824 15 residues pruned to eliminate duplicates Z: 12 18.561 2.080 0.242 0.868 1.000 0.727 CB 1.583 12 residues pruned to eliminate duplicates Z: 17 35.825 2.469 0.274 0.934 1.000 1.000 CB 1.985 17 residues pruned to eliminate duplicates Z: 16 26.415 2.147 0.623 0.944 1.000 1.000 CB 1.355 16 residues pruned to eliminate duplicates Z: 16 24.792 2.155 0.366 0.904 0.933 0.733 CA 1.659 16 residues pruned to eliminate duplicates Z: 11 24.288 2.308 0.624 0.779 0.900 0.300 CA 1.780 11 residues pruned to eliminate duplicates Z: 27 76.371 2.449 1.244 0.924 1.000 0.615 C 1.913 27 residues pruned to eliminate duplicates Z: 17 27.148 2.074 0.902 0.888 1.000 0.875 CB 1.239 17 residues pruned to eliminate duplicates Z: 26 77.420 2.527 1.285 0.951 0.960 0.960 CB 1.925 26 residues pruned to eliminate duplicates Z: 17 31.708 2.081 0.995 0.881 1.000 0.812 CB 1.382 17 residues pruned to eliminate duplicates Z: 11 9.616 2.157 -0.094 0.771 0.700 0.600 C 1.749 11 residues pruned to eliminate duplicates Z: 17 31.678 2.094 0.911 0.925 0.938 0.875 CB 1.481 17 residues pruned to eliminate duplicates Z: 183 100.417 2.312 0.714 0.705 0.940 0.709 CB 1.660 166 residues pruned to eliminate duplicates Z: 6 4.776 1.556 0.804 0.527 0.600 0.600 CB 1.235 6 residues pruned to eliminate duplicates Z: 26 73.397 2.506 1.237 0.955 0.960 0.680 CB 1.876 26 residues pruned to eliminate duplicates Z: 6 11.232 2.041 0.481 0.760 1.000 0.600 CB 1.318 6 residues pruned to eliminate duplicates Z: 13 13.582 2.033 0.362 0.608 0.833 0.667 CB 1.535 13 residues pruned to eliminate duplicates Z: 6 4.834 2.030 0.462 0.645 0.600 0.400 CB 1.060 6 residues pruned to eliminate duplicates Z: 16 33.544 2.193 0.735 0.935 1.000 0.867 CB 1.587 16 residues pruned to eliminate duplicates Z: 11 21.943 2.335 0.291 0.888 1.000 0.900 CB 1.658 11 residues pruned to eliminate duplicates Z: 129 113.219 2.473 0.844 0.729 0.953 0.758 CB 1.873 129 residues pruned to eliminate duplicates Z: 126 92.158 2.351 0.809 0.715 0.928 0.736 CB 1.719 126 residues pruned to eliminate duplicates Z: 18 54.001 2.402 0.960 0.939 1.000 0.941 CA 1.933 18 residues pruned to eliminate duplicates Z: 26 49.428 2.504 0.517 0.920 1.000 0.920 CB 1.834 26 residues pruned to eliminate duplicates Z: 18 24.810 2.046 0.832 0.901 1.000 0.941 CB 1.146 18 residues pruned to eliminate duplicates Z: 13 26.974 2.277 0.280 0.874 1.000 0.917 CB 1.945 13 residues pruned to eliminate duplicates Z: 17 29.060 2.088 0.764 0.928 0.938 0.875 CB 1.473 17 residues pruned to eliminate duplicates Z: 45 59.918 2.444 0.739 0.697 0.909 0.750 CB 1.954 45 residues pruned to eliminate duplicates Z: 18 32.030 2.361 0.557 0.888 0.941 0.882 CB 1.618 18 residues pruned to eliminate duplicates Z: 27 73.041 2.569 1.021 0.895 0.962 0.885 CB 2.056 27 residues pruned to eliminate duplicates Z: 16 48.973 2.322 1.080 0.914 1.000 0.800 C 1.851 16 residues pruned to eliminate duplicates Z: 11 23.367 2.366 0.381 0.727 1.000 0.500 CA 1.843 11 residues pruned to eliminate duplicates Z: 18 30.699 2.057 0.904 0.897 1.000 0.882 CB 1.360 18 residues pruned to eliminate duplicates Z: 18 42.608 2.323 0.829 0.861 0.941 0.824 CA 1.898 18 residues pruned to eliminate duplicates Z: 13 17.681 2.057 0.293 0.892 1.000 0.583 CB 1.379 13 residues pruned to eliminate duplicates Z: 43 39.192 2.331 0.450 0.592 0.929 0.595 CB 1.766 43 residues pruned to eliminate duplicates Z: 15 33.233 2.212 0.702 0.920 0.929 0.786 CB 1.789 15 residues pruned to eliminate duplicates Z: 7 12.542 2.020 0.123 0.891 1.000 0.833 C 1.623 7 residues pruned to eliminate duplicates Z: 6 8.549 1.988 0.202 0.765 0.800 0.600 CA 1.581 6 residues pruned to eliminate duplicates Z: 17 46.138 2.376 0.981 0.887 0.938 0.875 CA 1.884 17 residues pruned to eliminate duplicates Z: 30 27.673 2.109 0.424 0.646 0.931 0.655 CB 1.603 30 residues pruned to eliminate duplicates Z: 42 38.195 2.333 0.408 0.615 0.927 0.683 CB 1.757 42 residues pruned to eliminate duplicates Z: 17 25.804 2.111 0.895 0.886 1.000 0.938 CB 1.163 17 residues pruned to eliminate duplicates Z: 18 57.150 2.431 1.099 0.924 1.000 0.765 C 1.907 18 residues pruned to eliminate duplicates Z: 10 12.163 1.656 0.594 0.794 1.000 0.667 C 1.187 10 residues pruned to eliminate duplicates Z: 16 42.307 2.479 0.603 0.917 1.000 0.933 CB 1.940 16 residues pruned to eliminate duplicates Z: 26 69.967 2.473 1.233 0.935 0.960 0.880 CB 1.840 26 residues pruned to eliminate duplicates Z: 6 11.989 2.219 0.292 0.871 1.000 0.800 CB 1.364 6 residues pruned to eliminate duplicates Z: 43 36.060 2.316 0.375 0.614 0.929 0.667 CB 1.690 43 residues pruned to eliminate duplicates Z: 14 26.278 2.478 0.403 0.597 0.923 0.538 CB 2.071 14 residues pruned to eliminate duplicates Z: 44 34.226 2.262 0.354 0.581 0.930 0.558 CB 1.694 43 residues pruned to eliminate duplicates Z: 103 95.346 2.425 0.799 0.730 0.961 0.735 CB 1.831 103 residues pruned to eliminate duplicates Z: 18 33.517 2.439 0.350 0.909 1.000 0.941 CB 1.752 18 residues pruned to eliminate duplicates Z: 14 14.582 2.118 0.195 0.567 0.846 0.538 CA 1.770 14 residues pruned to eliminate duplicates Z: 43 59.195 2.421 0.689 0.773 0.929 0.786 CB 1.889 43 residues pruned to eliminate duplicates Z: 16 25.712 2.128 0.417 0.879 0.933 0.667 CB 1.711 16 residues pruned to eliminate duplicates Z: 61 60.151 2.327 0.744 0.612 0.917 0.617 CB 1.877 62 residues pruned to eliminate duplicates Z: 16 46.329 2.524 0.695 0.916 1.000 0.933 CA 1.975 16 residues pruned to eliminate duplicates Z: 10 23.446 2.225 0.328 0.937 1.000 0.889 CB 1.839 10 residues pruned to eliminate duplicates Z: 51 61.847 2.445 0.573 0.726 0.980 0.800 CB 1.893 51 residues pruned to eliminate duplicates Z: 17 29.375 2.121 1.030 0.945 1.000 1.000 CB 1.181 17 residues pruned to eliminate duplicates Z: 12 14.296 1.995 0.146 0.848 0.909 0.818 CA 1.539 12 residues pruned to eliminate duplicates Z: 13 18.203 1.969 0.294 0.864 1.000 1.000 CB 1.511 13 residues pruned to eliminate duplicates Z: 16 34.405 2.093 0.953 0.929 1.000 0.867 CB 1.521 16 residues pruned to eliminate duplicates Z: 16 35.819 2.145 0.933 0.944 1.000 1.000 CB 1.545 16 residues pruned to eliminate duplicates Z: 13 20.706 2.149 0.583 0.783 0.917 0.750 CB 1.494 13 residues pruned to eliminate duplicates Z: 8 9.681 1.985 0.186 0.865 0.857 0.857 CB 1.329 8 residues pruned to eliminate duplicates Z: 145 122.192 2.493 0.750 0.733 0.979 0.778 CB 1.933 145 residues pruned to eliminate duplicates Z: 10 21.168 2.258 0.421 0.912 1.000 0.889 CB 1.558 10 residues pruned to eliminate duplicates Z: 18 42.810 2.408 0.721 0.927 0.941 0.824 CA 1.865 18 residues pruned to eliminate duplicates Z: 27 73.378 2.457 1.251 0.914 1.000 0.692 CB 1.839 27 residues pruned to eliminate duplicates Z: 13 23.453 2.012 0.815 0.915 0.917 0.917 CB 1.430 13 residues pruned to eliminate duplicates Z: 17 52.417 2.452 0.882 0.926 1.000 0.750 CA 1.991 17 residues pruned to eliminate duplicates Z: 53 49.999 2.348 0.597 0.665 0.885 0.538 CB 1.794 53 residues pruned to eliminate duplicates Z: 12 22.131 2.171 0.441 0.891 1.000 0.727 CB 1.533 12 residues pruned to eliminate duplicates Z: 7 13.094 2.183 0.345 0.847 1.000 0.500 CB 1.351 7 residues pruned to eliminate duplicates Z: 91 88.616 2.479 0.675 0.715 0.944 0.722 CB 1.961 91 residues pruned to eliminate duplicates Z: 16 35.155 2.127 1.049 0.925 1.000 0.933 CB 1.462 16 residues pruned to eliminate duplicates Z: 69 62.748 2.376 0.626 0.701 0.956 0.691 CB 1.716 69 residues pruned to eliminate duplicates Z: 17 27.355 2.024 0.658 0.909 1.000 0.688 CB 1.446 17 residues pruned to eliminate duplicates Z: 107 96.253 2.493 0.691 0.727 0.925 0.736 CB 1.955 107 residues pruned to eliminate duplicates Z: 6 8.116 1.866 0.033 0.838 1.000 0.800 N 1.408 6 residues pruned to eliminate duplicates Z: 11 15.729 2.218 0.074 0.772 1.000 0.800 C 1.641 11 residues pruned to eliminate duplicates Z: 17 43.592 2.451 0.737 0.918 1.000 1.000 CB 1.806 17 residues pruned to eliminate duplicates Z: 14 32.332 2.248 0.581 0.936 1.000 0.769 CB 1.757 14 residues pruned to eliminate duplicates Z: 25 91.653 2.546 1.492 0.939 0.958 0.792 CB 2.138 25 residues pruned to eliminate duplicates Z: 7 7.745 1.788 0.580 0.750 0.833 0.833 CB 1.074 7 residues pruned to eliminate duplicates Z: 17 57.688 2.548 0.896 0.954 1.000 1.000 C 2.054 17 residues pruned to eliminate duplicates Z: 95 83.960 2.462 0.700 0.711 0.904 0.745 CB 1.888 70 residues pruned to eliminate duplicates Z: 108 95.729 2.433 0.706 0.740 0.953 0.720 CB 1.886 108 residues pruned to eliminate duplicates Z: 17 28.900 2.455 0.235 0.898 1.000 0.938 CB 1.705 17 residues pruned to eliminate duplicates Z: 72 62.588 2.374 0.530 0.651 0.972 0.662 CB 1.828 72 residues pruned to eliminate duplicates Z: 14 17.224 2.144 0.711 0.528 0.846 0.615 CB 1.496 14 residues pruned to eliminate duplicates Z: 29 23.653 1.966 0.674 0.646 0.893 0.679 CB 1.328 29 residues pruned to eliminate duplicates Z: 6 4.319 1.573 0.114 0.736 1.000 0.800 CB 0.892 6 residues pruned to eliminate duplicates Z: 82 54.014 2.105 0.814 0.668 0.951 0.630 CB 1.415 82 residues pruned to eliminate duplicates Z: 14 22.865 2.015 0.928 0.915 0.846 0.846 CB 1.363 14 residues pruned to eliminate duplicates Z: 119 100.628 2.359 0.905 0.719 0.966 0.695 CB 1.750 119 residues pruned to eliminate duplicates Z: 9 20.080 2.179 0.635 0.807 1.000 0.750 CA 1.524 9 residues pruned to eliminate duplicates Z: 12 41.089 2.258 1.196 0.915 1.000 0.909 CA 1.765 12 residues pruned to eliminate duplicates Z: 10 22.477 2.122 0.677 0.910 0.889 0.444 C 1.680 10 residues pruned to eliminate duplicates Z: 13 26.271 2.037 0.823 0.918 1.000 0.667 CB 1.441 13 residues pruned to eliminate duplicates Z: 39 58.509 2.401 0.644 0.823 0.974 0.816 CB 1.867 39 residues pruned to eliminate duplicates Z: 15 30.054 2.152 0.552 0.912 1.000 0.929 CA 1.703 15 residues pruned to eliminate duplicates Z: 57 42.207 2.062 0.740 0.681 0.929 0.714 CB 1.434 57 residues pruned to eliminate duplicates Z: 37 24.714 1.966 0.553 0.550 0.944 0.611 CB 1.361 37 residues pruned to eliminate duplicates Z: 78 48.810 2.110 0.649 0.670 0.935 0.779 CB 1.460 78 residues pruned to eliminate duplicates Z: 37 23.917 1.990 0.516 0.570 0.944 0.611 CB 1.307 37 residues pruned to eliminate duplicates Z: 17 38.551 2.286 0.659 0.892 1.000 0.812 C 1.826 17 residues pruned to eliminate duplicates Z: 37 25.568 1.967 0.616 0.570 0.944 0.694 CB 1.327 37 residues pruned to eliminate duplicates Z: 16 21.008 2.261 0.573 0.473 1.000 0.667 CB 1.568 16 residues pruned to eliminate duplicates Z: 17 28.674 2.123 0.889 0.916 1.000 1.000 CB 1.262 17 residues pruned to eliminate duplicates Z: 12 10.540 1.744 0.123 0.861 0.909 0.818 CA 1.311 12 residues pruned to eliminate duplicates Z: 75 69.229 2.400 0.589 0.666 0.959 0.649 CB 1.887 75 residues pruned to eliminate duplicates Z: 28 53.909 2.484 0.727 0.727 0.963 0.667 C 2.047 28 residues pruned to eliminate duplicates Z: 25 52.224 2.491 0.897 0.697 1.000 0.875 CB 1.885 25 residues pruned to eliminate duplicates Z: 18 41.619 2.432 0.568 0.930 1.000 1.000 CA 1.852 18 residues pruned to eliminate duplicates Z: 30 37.748 2.362 0.520 0.633 0.931 0.690 CB 1.851 30 residues pruned to eliminate duplicates Z: 15 27.575 2.191 0.480 0.938 1.000 1.000 CA 1.580 15 residues pruned to eliminate duplicates Z: 18 22.808 2.023 0.587 0.869 1.000 0.941 CB 1.258 18 residues pruned to eliminate duplicates Z: 6 13.378 2.226 0.159 0.888 1.000 0.800 C 1.670 6 residues pruned to eliminate duplicates Z: 82 69.986 2.385 0.641 0.703 0.926 0.728 CB 1.783 82 residues pruned to eliminate duplicates Z: 16 29.587 2.090 0.779 0.903 1.000 0.933 CB 1.465 16 residues pruned to eliminate duplicates Z: 11 20.327 2.269 0.332 0.881 1.000 0.600 CB 1.540 11 residues pruned to eliminate duplicates Z: 38 44.978 2.344 0.609 0.657 0.919 0.811 CB 1.844 38 residues pruned to eliminate duplicates Z: 108 109.690 2.510 0.881 0.710 0.972 0.757 CB 1.910 108 residues pruned to eliminate duplicates Z: 13 24.052 2.010 0.699 0.926 1.000 1.000 CB 1.425 13 residues pruned to eliminate duplicates Z: 13 22.731 2.225 0.506 0.585 1.000 0.417 C 1.805 13 residues pruned to eliminate duplicates Z: 39 56.880 2.434 0.595 0.807 0.974 0.842 CB 1.867 39 residues pruned to eliminate duplicates Z: 14 17.871 1.940 0.314 0.915 1.000 0.923 CB 1.374 14 residues pruned to eliminate duplicates Z: 12 14.169 2.113 0.163 0.844 1.000 0.727 CB 1.294 12 residues pruned to eliminate duplicates Z: 27 62.483 2.393 1.155 0.914 0.923 0.500 CB 1.821 27 residues pruned to eliminate duplicates Z: 46 29.840 2.040 0.639 0.571 0.889 0.556 CB 1.398 46 residues pruned to eliminate duplicates Z: 13 18.974 2.076 0.434 0.749 0.917 0.750 CB 1.607 13 residues pruned to eliminate duplicates Z: 16 48.362 2.528 0.883 0.922 1.000 0.933 CB 1.844 16 residues pruned to eliminate duplicates Z: 12 40.620 2.626 0.687 0.829 1.000 0.909 CA 2.080 12 residues pruned to eliminate duplicates Z: 17 48.439 2.448 0.772 0.909 1.000 0.812 CB 1.981 17 residues pruned to eliminate duplicates Z: 16 33.914 2.206 0.767 0.927 1.000 0.933 CB 1.575 16 residues pruned to eliminate duplicates Z: 11 10.042 1.688 0.493 0.628 0.800 0.300 O 1.397 11 residues pruned to eliminate duplicates Z: 102 92.157 2.441 0.791 0.721 0.941 0.663 CB 1.827 102 residues pruned to eliminate duplicates Z: 8 10.888 1.890 0.277 0.881 0.857 0.714 CA 1.440 8 residues pruned to eliminate duplicates Z: 10 23.503 2.224 0.444 0.919 1.000 0.889 CA 1.720 10 residues pruned to eliminate duplicates Z: 17 57.037 2.547 1.153 0.926 1.000 1.000 CB 1.823 17 residues pruned to eliminate duplicates Z: 14 12.697 1.851 0.177 0.663 1.000 0.538 C 1.390 14 residues pruned to eliminate duplicates Z: 6 3.710 1.340 0.394 0.458 1.000 0.600 N 0.927 Z: 98 66.654 2.205 0.749 0.697 0.948 0.691 CB 1.546 98 residues pruned to eliminate duplicates Z: 14 21.086 2.149 0.733 0.504 1.000 0.385 CA 1.565 14 residues pruned to eliminate duplicates Z: 27 67.867 2.461 1.255 0.891 1.000 0.731 CB 1.724 27 residues pruned to eliminate duplicates Z: 13 16.218 2.053 0.145 0.703 1.000 0.583 CA 1.655 13 residues pruned to eliminate duplicates Z: 27 84.009 2.530 1.281 0.918 1.000 0.885 CB 2.013 27 residues pruned to eliminate duplicates Z: 16 19.542 2.238 0.467 0.500 1.000 0.533 CB 1.537 16 residues pruned to eliminate duplicates Z: 10 18.315 2.309 0.272 0.773 0.889 0.444 CA 1.838 10 residues pruned to eliminate duplicates Z: 25 24.574 1.956 0.545 0.759 0.958 0.792 CB 1.375 25 residues pruned to eliminate duplicates Z: 18 33.308 2.069 1.017 0.886 1.000 0.706 CB 1.396 18 residues pruned to eliminate duplicates Z: 57 85.705 2.535 0.906 0.751 0.946 0.714 CB 2.003 57 residues pruned to eliminate duplicates Z: 9 21.236 2.509 0.398 0.609 1.000 0.875 CA 1.929 9 residues pruned to eliminate duplicates Z: 81 76.264 2.492 0.571 0.709 0.925 0.725 CB 1.948 81 residues pruned to eliminate duplicates Z: 17 26.673 2.135 0.502 0.919 1.000 1.000 CB 1.466 17 residues pruned to eliminate duplicates Z: 80 89.325 2.460 0.829 0.716 0.962 0.759 CB 1.909 80 residues pruned to eliminate duplicates Z: 68 55.842 2.174 0.796 0.752 0.955 0.851 CB 1.461 68 residues pruned to eliminate duplicates Z: 26 40.176 2.401 0.475 0.721 0.960 0.840 CA 1.936 26 residues pruned to eliminate duplicates Z: 13 21.569 2.238 0.096 0.919 1.000 0.917 CB 1.789 13 residues pruned to eliminate duplicates Z: 30 39.813 2.336 0.502 0.665 0.966 0.724 CB 1.873 30 residues pruned to eliminate duplicates Z: 24 47.902 2.483 0.906 0.667 0.957 0.696 CB 1.890 24 residues pruned to eliminate duplicates Z: 80 92.900 2.477 0.816 0.736 0.975 0.696 CB 1.929 80 residues pruned to eliminate duplicates Z: 13 10.072 1.834 0.542 0.415 0.833 0.500 CB 1.349 13 residues pruned to eliminate duplicates Z: 17 26.734 2.044 0.698 0.893 0.875 0.750 CB 1.580 17 residues pruned to eliminate duplicates Z: 7 3.364 1.631 0.374 0.425 1.000 0.500 CA 0.663 7 residues pruned to eliminate duplicates Z: 33 31.444 2.175 0.454 0.647 0.938 0.688 CB 1.634 33 residues pruned to eliminate duplicates Z: 18 56.214 2.470 1.180 0.927 1.000 0.882 CB 1.774 18 residues pruned to eliminate duplicates Z: 78 76.735 2.400 0.758 0.664 0.948 0.636 CB 1.878 78 residues pruned to eliminate duplicates Z: 20 32.086 2.344 0.688 0.632 0.895 0.789 C 1.836 20 residues pruned to eliminate duplicates Z: 9 11.391 1.964 0.269 0.863 0.875 0.625 CA 1.354 9 residues pruned to eliminate duplicates Z: 10 18.554 2.012 0.512 0.842 0.889 0.556 CB 1.704 10 residues pruned to eliminate duplicates Z: 30 39.212 2.355 0.489 0.759 0.966 0.793 CB 1.708 30 residues pruned to eliminate duplicates Z: 122 64.781 2.130 0.770 0.613 0.942 0.628 CB 1.490 122 residues pruned to eliminate duplicates Z: 32 30.733 2.293 0.260 0.677 0.935 0.516 CB 1.735 32 residues pruned to eliminate duplicates Z: 7 2.347 1.432 0.264 0.238 0.667 0.167 N 1.075 Z: 126 96.102 2.404 0.686 0.724 0.960 0.728 CB 1.804 126 residues pruned to eliminate duplicates Z: 6 11.570 1.961 0.583 0.709 1.000 0.600 CA 1.378 6 residues pruned to eliminate duplicates Z: 28 69.848 2.572 0.842 0.854 1.000 0.889 CB 2.094 28 residues pruned to eliminate duplicates Z: 16 19.856 2.159 0.499 0.597 0.867 0.533 CB 1.668 16 residues pruned to eliminate duplicates Z: 14 17.153 2.262 0.394 0.658 0.846 0.692 CB 1.540 14 residues pruned to eliminate duplicates Z: 124 90.255 2.419 0.657 0.662 0.943 0.659 CB 1.853 124 residues pruned to eliminate duplicates Z: 19 49.295 2.428 0.751 0.900 1.000 0.889 CA 1.951 19 residues pruned to eliminate duplicates Z: 7 10.571 1.937 0.052 0.890 1.000 1.000 CA 1.524 7 residues pruned to eliminate duplicates Z: 10 18.624 2.331 0.257 0.676 1.000 1.000 CA 1.801 10 residues pruned to eliminate duplicates Z: 129 97.428 2.393 0.707 0.724 0.977 0.727 CB 1.764 129 residues pruned to eliminate duplicates Z: 63 50.993 2.271 0.674 0.590 0.903 0.661 CB 1.729 63 residues pruned to eliminate duplicates Z: 54 75.624 2.494 0.784 0.685 0.962 0.698 C 2.048 54 residues pruned to eliminate duplicates Z: 27 41.795 2.334 0.749 0.613 0.923 0.654 C 1.954 27 residues pruned to eliminate duplicates Z: 20 40.956 2.507 0.729 0.632 0.947 0.789 CB 2.021 20 residues pruned to eliminate duplicates Z: 12 25.938 2.084 0.872 0.932 1.000 0.909 CB 1.401 12 residues pruned to eliminate duplicates Z: 58 89.004 2.514 0.935 0.756 0.965 0.754 CB 1.999 58 residues pruned to eliminate duplicates Z: 31 43.285 2.362 0.538 0.664 0.967 0.667 CB 1.932 31 residues pruned to eliminate duplicates Z: 16 24.003 2.008 0.793 0.840 0.933 0.733 CB 1.377 16 residues pruned to eliminate duplicates Z: 9 11.430 1.933 -0.023 0.819 1.000 1.000 CA 1.622 9 residues pruned to eliminate duplicates Z: 99 95.881 2.451 0.743 0.730 0.969 0.714 CB 1.902 99 residues pruned to eliminate duplicates Z: 62 70.032 2.434 0.682 0.699 0.967 0.738 CB 1.890 62 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 7.259 1.627 0.843 0.474 1.000 1.000 CB 1.112 6 residues pruned to eliminate duplicates Z: 15 13.618 2.028 0.209 0.635 0.786 0.643 CA 1.665 15 residues pruned to eliminate duplicates Z: 184 126.296 2.461 0.755 0.701 0.956 0.678 CB 1.882 184 residues pruned to eliminate duplicates Z: 157 127.085 2.490 0.785 0.727 0.974 0.718 CB 1.915 157 residues pruned to eliminate duplicates Z: 88 95.963 2.475 0.820 0.737 0.966 0.690 CB 1.913 90 residues pruned to eliminate duplicates Z: 7 12.300 2.020 0.117 0.854 1.000 0.833 C 1.643 6 residues pruned to eliminate duplicates Z: 7 10.413 1.917 0.304 0.873 1.000 1.000 C 1.239 7 residues pruned to eliminate duplicates Z: 128 117.326 2.498 0.836 0.730 0.961 0.740 CB 1.922 128 residues pruned to eliminate duplicates Z: 44 35.849 2.342 0.347 0.580 0.930 0.581 CB 1.726 44 residues pruned to eliminate duplicates Z: 58 58.255 2.377 0.549 0.667 0.965 0.702 CB 1.862 58 residues pruned to eliminate duplicates Z: 43 36.849 2.342 0.396 0.593 0.929 0.643 CB 1.714 43 residues pruned to eliminate duplicates Z: 58 57.368 2.408 0.505 0.684 0.947 0.632 CB 1.870 58 residues pruned to eliminate duplicates Z: 46 33.926 2.249 0.450 0.559 0.889 0.600 CB 1.648 46 residues pruned to eliminate duplicates Z: 59 55.478 2.389 0.568 0.664 0.914 0.621 CB 1.828 59 residues pruned to eliminate duplicates Z: 42 39.553 2.362 0.387 0.605 0.951 0.585 CB 1.794 42 residues pruned to eliminate duplicates Z: 7 9.320 2.077 0.401 0.495 1.000 0.667 CB 1.314 7 residues pruned to eliminate duplicates Z: 58 62.410 2.366 0.697 0.673 0.947 0.649 CB 1.853 58 residues pruned to eliminate duplicates Z: 58 58.959 2.408 0.563 0.679 0.947 0.649 CB 1.859 58 residues pruned to eliminate duplicates Z: 44 35.492 2.305 0.383 0.615 0.884 0.535 CB 1.724 44 residues pruned to eliminate duplicates Z: 57 47.802 2.369 0.378 0.661 0.946 0.696 CB 1.781 57 residues pruned to eliminate duplicates Z: 29 28.698 2.243 0.354 0.628 0.964 0.714 CB 1.642 29 residues pruned to eliminate duplicates Z: 58 54.439 2.405 0.463 0.664 0.947 0.719 CB 1.859 58 residues pruned to eliminate duplicates Z: 40 31.657 2.260 0.311 0.588 0.949 0.615 CB 1.658 40 residues pruned to eliminate duplicates Z: 43 40.021 2.330 0.488 0.604 0.952 0.643 CB 1.694 43 residues pruned to eliminate duplicates Z: 42 37.833 2.320 0.351 0.634 0.927 0.585 CB 1.794 42 residues pruned to eliminate duplicates Z: 144 99.947 2.435 0.666 0.666 0.944 0.664 CB 1.871 144 residues pruned to eliminate duplicates Z: 58 60.733 2.409 0.505 0.673 1.000 0.632 CB 1.892 58 residues pruned to eliminate duplicates Z: 29 34.437 2.255 0.475 0.647 1.000 0.679 CB 1.706 29 residues pruned to eliminate duplicates Z: 45 35.640 2.269 0.445 0.585 0.886 0.500 CB 1.704 45 residues pruned to eliminate duplicates Z: 16 21.930 2.080 0.264 0.875 1.000 0.800 CA 1.565 16 residues pruned to eliminate duplicates Z: 58 55.928 2.400 0.445 0.661 0.982 0.684 CB 1.873 58 residues pruned to eliminate duplicates Z: 56 57.781 2.343 0.665 0.638 0.945 0.709 CB 1.856 56 residues pruned to eliminate duplicates Z: 113 80.735 2.408 0.596 0.660 0.920 0.643 CB 1.861 113 residues pruned to eliminate duplicates Z: 43 41.410 2.346 0.464 0.618 0.952 0.643 CB 1.747 43 residues pruned to eliminate duplicates Z: 58 59.894 2.394 0.541 0.685 0.965 0.772 CB 1.881 58 residues pruned to eliminate duplicates Z: 42 41.719 2.355 0.432 0.601 0.976 0.537 CB 1.797 42 residues pruned to eliminate duplicates Z: 16 25.117 2.194 0.418 0.858 0.933 0.733 CB 1.645 16 residues pruned to eliminate duplicates Z: 58 58.943 2.407 0.580 0.677 0.947 0.702 CB 1.841 58 residues pruned to eliminate duplicates Z: 58 48.808 2.380 0.362 0.635 0.947 0.667 CB 1.855 58 residues pruned to eliminate duplicates Z: 47 42.238 2.349 0.474 0.613 0.935 0.522 CB 1.728 47 residues pruned to eliminate duplicates Z: 30 46.252 2.471 0.611 0.681 0.931 0.724 CB 1.962 30 residues pruned to eliminate duplicates Z: 86 79.228 2.452 0.709 0.664 0.929 0.635 CB 1.896 86 residues pruned to eliminate duplicates Z: 30 46.921 2.430 0.754 0.695 0.862 0.655 CB 1.984 30 residues pruned to eliminate duplicates Z: 53 52.125 2.337 0.530 0.609 0.981 0.596 CB 1.858 53 residues pruned to eliminate duplicates Z: 46 39.246 2.286 0.461 0.557 0.933 0.600 CB 1.776 46 residues pruned to eliminate duplicates Z: 44 35.491 2.317 0.349 0.591 0.953 0.605 CB 1.665 44 residues pruned to eliminate duplicates Z: 47 37.690 2.288 0.387 0.555 0.957 0.522 CB 1.735 47 residues pruned to eliminate duplicates Z: 58 56.354 2.402 0.496 0.676 0.965 0.667 CB 1.831 58 residues pruned to eliminate duplicates Z: 59 55.667 2.379 0.520 0.655 0.948 0.672 CB 1.845 59 residues pruned to eliminate duplicates Z: 59 54.103 2.356 0.547 0.656 0.948 0.690 CB 1.778 59 residues pruned to eliminate duplicates Z: 22 46.194 2.451 0.750 0.730 0.952 0.762 CB 2.006 22 residues pruned to eliminate duplicates Z: 58 57.173 2.411 0.500 0.662 0.965 0.719 CB 1.868 58 residues pruned to eliminate duplicates Z: 18 47.182 2.454 0.742 0.859 1.000 0.941 CA 1.969 18 residues pruned to eliminate duplicates Z: 30 50.507 2.479 0.650 0.707 0.931 0.793 CB 2.042 30 residues pruned to eliminate duplicates Z: 58 59.067 2.397 0.534 0.669 0.965 0.649 CB 1.886 58 residues pruned to eliminate duplicates Z: 60 54.490 2.335 0.568 0.641 0.932 0.712 CB 1.822 60 residues pruned to eliminate duplicates Z: 29 59.036 2.515 0.843 0.680 1.000 0.786 CA 2.039 29 residues pruned to eliminate duplicates Z: 59 57.625 2.384 0.588 0.654 0.948 0.638 CB 1.827 59 residues pruned to eliminate duplicates Z: 35 29.523 2.227 0.559 0.597 0.794 0.706 CB 1.674 35 residues pruned to eliminate duplicates Z: 55 51.932 2.302 0.554 0.630 0.981 0.741 CB 1.780 55 residues pruned to eliminate duplicates Z: 112 92.693 2.459 0.664 0.692 0.955 0.712 CB 1.890 112 residues pruned to eliminate duplicates Z: 154 118.436 2.517 0.629 0.736 0.961 0.745 CB 1.966 154 residues pruned to eliminate duplicates Z: 112 86.843 2.453 0.558 0.687 0.964 0.685 CB 1.884 112 residues pruned to eliminate duplicates Z: 148 114.496 2.499 0.619 0.730 0.973 0.735 CB 1.950 148 residues pruned to eliminate duplicates Z: 90 98.180 2.523 0.752 0.752 0.944 0.753 CB 1.993 90 residues pruned to eliminate duplicates Z: 154 105.717 2.446 0.649 0.689 0.941 0.732 CB 1.894 154 residues pruned to eliminate duplicates Z: 75 79.829 2.445 0.754 0.714 0.959 0.676 CB 1.859 75 residues pruned to eliminate duplicates Z: 174 114.158 2.457 0.623 0.713 0.965 0.728 CB 1.860 174 residues pruned to eliminate duplicates Z: 180 121.417 2.450 0.692 0.694 0.966 0.709 CB 1.898 180 residues pruned to eliminate duplicates Z: 75 79.534 2.479 0.647 0.704 0.973 0.676 CB 1.932 75 residues pruned to eliminate duplicates Z: 58 63.021 2.441 0.724 0.665 0.912 0.667 CB 1.866 58 residues pruned to eliminate duplicates Z: 108 89.105 2.438 0.649 0.700 0.963 0.654 CB 1.856 108 residues pruned to eliminate duplicates Z: 111 87.457 2.420 0.670 0.663 0.936 0.609 CB 1.894 111 residues pruned to eliminate duplicates Z: 108 87.742 2.415 0.690 0.672 0.953 0.654 CB 1.860 108 residues pruned to eliminate duplicates Z: 113 88.056 2.425 0.647 0.663 0.946 0.634 CB 1.893 113 residues pruned to eliminate duplicates Z: 74 85.780 2.478 0.808 0.725 0.945 0.699 CB 1.936 74 residues pruned to eliminate duplicates Z: 145 121.212 2.485 0.789 0.725 0.951 0.701 CB 1.949 145 residues pruned to eliminate duplicates Z: 129 112.024 2.481 0.737 0.728 0.977 0.742 CB 1.916 129 residues pruned to eliminate duplicates Z: 71 80.551 2.493 0.701 0.718 0.971 0.743 CB 1.919 71 residues pruned to eliminate duplicates Z: 119 108.180 2.497 0.774 0.721 0.983 0.712 CB 1.873 119 residues pruned to eliminate duplicates Z: 128 112.491 2.499 0.733 0.730 0.969 0.740 CB 1.935 128 residues pruned to eliminate duplicates Z: 185 120.884 2.455 0.681 0.700 0.946 0.723 CB 1.903 185 residues pruned to eliminate duplicates Z: 84 85.278 2.484 0.710 0.696 0.964 0.663 CB 1.912 84 residues pruned to eliminate duplicates Z: 71 89.098 2.503 0.828 0.752 0.957 0.757 CB 1.942 71 residues pruned to eliminate duplicates Z: 74 89.011 2.480 0.818 0.713 0.973 0.699 CB 1.958 74 residues pruned to eliminate duplicates Z: 143 118.116 2.506 0.684 0.747 0.958 0.768 CB 1.966 143 residues pruned to eliminate duplicates Z: 111 82.269 2.394 0.714 0.647 0.927 0.636 CB 1.797 111 residues pruned to eliminate duplicates Z: 129 109.889 2.488 0.763 0.722 0.953 0.727 CB 1.901 129 residues pruned to eliminate duplicates Z: 76 83.885 2.450 0.772 0.705 0.947 0.720 CB 1.957 76 residues pruned to eliminate duplicates Z: 81 92.016 2.492 0.817 0.724 0.963 0.750 CB 1.929 81 residues pruned to eliminate duplicates Z: 113 93.176 2.419 0.727 0.668 0.964 0.616 CB 1.871 113 residues pruned to eliminate duplicates Z: 185 123.372 2.464 0.667 0.712 0.967 0.707 CB 1.888 185 residues pruned to eliminate duplicates Z: 72 80.518 2.467 0.747 0.744 0.944 0.704 CB 1.888 72 residues pruned to eliminate duplicates Z: 35 52.894 2.412 0.726 0.705 0.971 0.765 CB 1.863 35 residues pruned to eliminate duplicates Z: 125 105.382 2.501 0.673 0.740 0.960 0.758 CB 1.901 125 residues pruned to eliminate duplicates Z: 55 67.125 2.445 0.863 0.688 0.907 0.611 CB 1.859 55 residues pruned to eliminate duplicates Z: 144 111.910 2.469 0.663 0.743 0.965 0.776 CB 1.901 144 residues pruned to eliminate duplicates Z: 129 108.070 2.481 0.707 0.721 0.961 0.766 CB 1.922 129 residues pruned to eliminate duplicates Z: 59 76.937 2.493 0.821 0.742 0.931 0.793 CB 1.925 59 residues pruned to eliminate duplicates Z: 118 102.251 2.490 0.718 0.703 0.940 0.675 CB 1.953 118 residues pruned to eliminate duplicates Z: 144 111.329 2.475 0.681 0.729 0.951 0.741 CB 1.914 144 residues pruned to eliminate duplicates Z: 91 91.197 2.485 0.800 0.701 0.922 0.756 CB 1.941 91 residues pruned to eliminate duplicates Z: 23 41.823 2.352 0.777 0.677 1.000 0.682 CB 1.813 23 residues pruned to eliminate duplicates Z: 132 123.060 2.522 0.792 0.759 0.969 0.733 CB 1.948 132 residues pruned to eliminate duplicates Z: 184 121.725 2.454 0.666 0.707 0.962 0.732 CB 1.897 184 residues pruned to eliminate duplicates Z: 129 106.497 2.462 0.720 0.730 0.938 0.719 CB 1.928 129 residues pruned to eliminate duplicates Z: 154 119.778 2.486 0.750 0.718 0.941 0.693 CB 1.941 154 residues pruned to eliminate duplicates Z: 83 90.785 2.496 0.804 0.715 0.951 0.707 CB 1.926 83 residues pruned to eliminate duplicates Z: 93 80.035 2.401 0.725 0.687 0.913 0.739 CB 1.859 93 residues pruned to eliminate duplicates Z: 16 18.905 1.974 0.752 0.640 0.867 0.733 CB 1.428 16 residues pruned to eliminate duplicates Z: 146 110.670 2.470 0.673 0.697 0.966 0.717 CB 1.924 146 residues pruned to eliminate duplicates Z: 143 119.363 2.498 0.708 0.756 0.972 0.754 CB 1.925 143 residues pruned to eliminate duplicates Z: 92 80.640 2.436 0.645 0.702 0.945 0.725 CB 1.858 92 residues pruned to eliminate duplicates Z: 89 86.646 2.471 0.654 0.734 0.943 0.739 CB 1.941 89 residues pruned to eliminate duplicates Z: 100 89.346 2.432 0.661 0.720 0.970 0.687 CB 1.879 100 residues pruned to eliminate duplicates Z: 129 113.707 2.479 0.792 0.729 0.961 0.750 CB 1.916 129 residues pruned to eliminate duplicates Z: 129 109.390 2.481 0.703 0.724 0.961 0.727 CB 1.946 129 residues pruned to eliminate duplicates Z: 17 26.684 2.313 0.520 0.616 0.938 0.625 CB 1.813 17 residues pruned to eliminate duplicates Z: 81 75.079 2.401 0.643 0.719 0.938 0.663 CB 1.862 81 residues pruned to eliminate duplicates Z: 129 104.303 2.482 0.674 0.723 0.945 0.742 CB 1.920 129 residues pruned to eliminate duplicates Z: 147 122.676 2.503 0.757 0.725 0.959 0.740 CB 1.966 147 residues pruned to eliminate duplicates Z: 88 84.037 2.458 0.658 0.738 0.943 0.736 CB 1.896 88 residues pruned to eliminate duplicates Z: 89 85.367 2.467 0.608 0.732 0.977 0.727 CB 1.906 89 residues pruned to eliminate duplicates Z: 89 84.981 2.474 0.596 0.741 0.966 0.761 CB 1.913 89 residues pruned to eliminate duplicates Z: 184 128.276 2.463 0.706 0.718 0.978 0.710 CB 1.895 184 residues pruned to eliminate duplicates Z: 156 121.332 2.504 0.681 0.730 0.968 0.742 CB 1.945 156 residues pruned to eliminate duplicates Z: 41 54.624 2.447 0.634 0.671 0.950 0.650 CB 1.941 41 residues pruned to eliminate duplicates Z: 95 93.423 2.437 0.753 0.726 0.968 0.798 CB 1.900 95 residues pruned to eliminate duplicates Z: 89 91.050 2.459 0.684 0.736 0.989 0.773 CB 1.918 89 residues pruned to eliminate duplicates Z: 147 112.689 2.501 0.703 0.720 0.938 0.712 CB 1.913 147 residues pruned to eliminate duplicates Z: 71 81.780 2.512 0.643 0.765 0.943 0.829 CB 1.986 71 residues pruned to eliminate duplicates Z: 78 85.601 2.504 0.658 0.737 0.974 0.766 CB 1.950 78 residues pruned to eliminate duplicates Z: 155 120.726 2.491 0.713 0.717 0.968 0.714 CB 1.936 155 residues pruned to eliminate duplicates Z: 127 111.314 2.508 0.707 0.731 0.968 0.762 CB 1.944 127 residues pruned to eliminate duplicates Z: 95 89.179 2.468 0.643 0.726 0.968 0.755 CB 1.910 95 residues pruned to eliminate duplicates Z: 89 86.937 2.457 0.681 0.732 0.966 0.727 CB 1.886 89 residues pruned to eliminate duplicates Z: 88 87.607 2.471 0.649 0.744 0.977 0.747 CB 1.897 88 residues pruned to eliminate duplicates Z: 185 125.270 2.454 0.709 0.714 0.946 0.723 CB 1.917 185 residues pruned to eliminate duplicates Z: 185 124.905 2.461 0.679 0.712 0.967 0.723 CB 1.901 185 residues pruned to eliminate duplicates Z: 79 81.092 2.472 0.670 0.739 0.962 0.744 CB 1.866 79 residues pruned to eliminate duplicates Z: 141 121.038 2.491 0.788 0.744 0.950 0.743 CB 1.943 141 residues pruned to eliminate duplicates Z: 94 86.768 2.418 0.704 0.717 0.968 0.688 CB 1.854 94 residues pruned to eliminate duplicates Z: 185 127.524 2.470 0.691 0.712 0.984 0.701 CB 1.889 185 residues pruned to eliminate duplicates Z: 89 82.399 2.449 0.610 0.743 0.943 0.761 CB 1.901 89 residues pruned to eliminate duplicates Z: 95 92.834 2.466 0.680 0.747 0.979 0.787 CB 1.894 95 residues pruned to eliminate duplicates Z: 115 99.223 2.477 0.730 0.705 0.939 0.693 CB 1.917 115 residues pruned to eliminate duplicates Z: 92 84.380 2.440 0.658 0.713 0.967 0.736 CB 1.863 92 residues pruned to eliminate duplicates Z: 76 84.528 2.487 0.675 0.752 0.973 0.800 CB 1.923 76 residues pruned to eliminate duplicates Z: 156 125.424 2.505 0.749 0.726 0.968 0.748 CB 1.939 156 residues pruned to eliminate duplicates Z: 144 122.781 2.511 0.734 0.748 0.979 0.741 CB 1.931 144 residues pruned to eliminate duplicates Z: 93 83.208 2.427 0.674 0.694 0.946 0.674 CB 1.891 93 residues pruned to eliminate duplicates Z: 123 101.845 2.456 0.790 0.700 0.951 0.746 CB 1.838 123 residues pruned to eliminate duplicates Z: 88 93.351 2.477 0.760 0.743 0.966 0.747 CB 1.913 88 residues pruned to eliminate duplicates Z: 88 89.142 2.466 0.731 0.734 0.954 0.713 CB 1.901 88 residues pruned to eliminate duplicates Z: 125 112.800 2.501 0.718 0.748 0.992 0.758 CB 1.904 125 residues pruned to eliminate duplicates Z: 28 53.081 2.370 0.749 0.842 1.000 0.815 CB 1.835 28 residues pruned to eliminate duplicates Z: 89 93.794 2.469 0.740 0.747 0.977 0.807 CB 1.909 89 residues pruned to eliminate duplicates Z: 27 58.790 2.440 0.955 0.924 0.962 0.731 CB 1.765 27 residues pruned to eliminate duplicates Z: 89 90.279 2.453 0.780 0.731 0.943 0.705 CB 1.898 89 residues pruned to eliminate duplicates Z: 143 132.090 2.509 0.830 0.754 0.986 0.739 CB 1.952 143 residues pruned to eliminate duplicates Z: 145 129.035 2.484 0.824 0.742 0.993 0.736 CB 1.925 145 residues pruned to eliminate duplicates Z: 180 124.512 2.449 0.764 0.692 0.955 0.682 CB 1.893 180 residues pruned to eliminate duplicates Z: 145 125.402 2.487 0.848 0.737 0.951 0.729 CB 1.932 145 residues pruned to eliminate duplicates Z: 89 95.393 2.470 0.767 0.736 0.977 0.739 CB 1.929 89 residues pruned to eliminate duplicates Z: 74 90.937 2.462 0.825 0.763 0.973 0.753 CB 1.927 74 residues pruned to eliminate duplicates Z: 29 69.405 2.476 1.183 0.813 0.964 0.714 CB 1.917 29 residues pruned to eliminate duplicates Z: 126 115.988 2.484 0.797 0.750 0.960 0.728 CB 1.936 126 residues pruned to eliminate duplicates Z: 128 117.706 2.503 0.845 0.727 0.953 0.685 CB 1.935 128 residues pruned to eliminate duplicates Z: 93 87.064 2.413 0.756 0.729 0.946 0.717 CB 1.844 71 residues pruned to eliminate duplicates Z: 26 68.386 2.516 1.199 0.929 0.920 0.760 CB 1.880 26 residues pruned to eliminate duplicates Z: 78 90.323 2.477 0.818 0.742 0.961 0.753 CB 1.914 78 residues pruned to eliminate duplicates Z: 128 118.682 2.495 0.828 0.727 0.984 0.732 CB 1.912 128 residues pruned to eliminate duplicates Z: 139 122.819 2.523 0.805 0.711 0.964 0.710 CB 1.967 139 residues pruned to eliminate duplicates Z: 140 123.071 2.502 0.831 0.718 0.971 0.705 CB 1.926 140 residues pruned to eliminate duplicates Z: 116 115.751 2.506 0.912 0.731 0.948 0.704 CB 1.930 116 residues pruned to eliminate duplicates Z: 88 92.973 2.466 0.832 0.710 0.966 0.690 CB 1.889 88 residues pruned to eliminate duplicates Z: 125 119.229 2.498 0.874 0.731 0.960 0.758 CB 1.936 294 residues pruned to eliminate duplicates Z: 6 8.729 1.970 0.421 0.433 1.000 0.200 N 1.494 6 residues pruned to eliminate duplicates Z: 95 88.225 2.474 0.663 0.698 0.957 0.723 CB 1.928 95 residues pruned to eliminate duplicates Z: 78 89.767 2.566 0.714 0.739 0.961 0.766 CB 1.953 78 residues pruned to eliminate duplicates Z: 96 91.864 2.463 0.720 0.709 0.947 0.726 CB 1.941 74 residues pruned to eliminate duplicates Z: 12 19.900 2.381 0.194 0.848 0.909 0.727 CB 1.722 12 residues pruned to eliminate duplicates Z: 134 103.236 2.354 0.851 0.724 0.955 0.707 CB 1.758 97 residues pruned to eliminate duplicates Z: 11 33.357 2.540 0.510 0.903 1.000 1.000 CB 1.961 11 residues pruned to eliminate duplicates Z: 159 105.710 2.345 0.753 0.715 0.975 0.734 CB 1.727 147 residues pruned to eliminate duplicates Z: 13 25.749 2.245 0.495 0.872 0.917 0.833 CB 1.761 13 residues pruned to eliminate duplicates Z: 95 84.316 2.485 0.609 0.707 0.936 0.734 CB 1.925 95 residues pruned to eliminate duplicates Z: 95 87.707 2.496 0.603 0.720 0.947 0.755 CB 1.957 73 residues pruned to eliminate duplicates Z: 13 26.754 2.234 0.597 0.848 0.917 0.667 CB 1.753 13 residues pruned to eliminate duplicates Z: 94 79.551 2.411 0.662 0.685 0.946 0.742 CB 1.837 94 residues pruned to eliminate duplicates Z: 143 103.862 2.396 0.731 0.754 0.972 0.817 CB 1.725 143 residues pruned to eliminate duplicates Z: 160 100.206 2.320 0.743 0.732 0.962 0.780 CB 1.657 160 residues pruned to eliminate duplicates Z: 128 102.819 2.416 0.762 0.737 0.969 0.772 CB 1.789 128 residues pruned to eliminate duplicates Z: 96 88.815 2.462 0.706 0.711 0.926 0.726 CB 1.933 96 residues pruned to eliminate duplicates Z: 95 84.920 2.480 0.616 0.719 0.915 0.734 CB 1.960 95 residues pruned to eliminate duplicates Z: 129 95.743 2.410 0.714 0.726 0.945 0.750 CB 1.767 129 residues pruned to eliminate duplicates Z: 90 84.498 2.494 0.648 0.721 0.921 0.742 CB 1.937 90 residues pruned to eliminate duplicates Z: 142 109.457 2.404 0.826 0.747 0.965 0.759 CB 1.746 142 residues pruned to eliminate duplicates Z: 151 109.039 2.371 0.790 0.723 0.967 0.700 CB 1.775 151 residues pruned to eliminate duplicates Z: 121 96.896 2.397 0.817 0.720 0.942 0.725 CB 1.768 121 residues pruned to eliminate duplicates Z: 112 84.119 2.439 0.604 0.672 0.937 0.739 CB 1.859 112 residues pruned to eliminate duplicates Z: 43 65.946 2.437 0.821 0.749 0.929 0.786 CB 1.977 43 residues pruned to eliminate duplicates Z: 97 92.463 2.474 0.720 0.732 0.948 0.740 CB 1.899 97 residues pruned to eliminate duplicates Z: 156 103.528 2.366 0.760 0.718 0.955 0.703 CB 1.717 156 residues pruned to eliminate duplicates Z: 89 97.434 2.489 0.800 0.743 0.966 0.739 CB 1.931 89 residues pruned to eliminate duplicates Z: 96 95.092 2.454 0.774 0.722 0.958 0.768 CB 1.914 96 residues pruned to eliminate duplicates Z: 94 85.252 2.490 0.623 0.708 0.935 0.731 CB 1.935 94 residues pruned to eliminate duplicates Z: 143 112.929 2.393 0.848 0.752 0.972 0.718 CB 1.761 168 residues pruned to eliminate duplicates Z: 27 79.383 2.519 1.281 0.890 0.962 0.615 CB 2.027 27 residues pruned to eliminate duplicates Z: 41 75.612 2.570 0.947 0.762 0.925 0.850 CB 2.046 41 residues pruned to eliminate duplicates Z: 185 106.718 2.311 0.743 0.706 0.967 0.690 CB 1.675 185 residues pruned to eliminate duplicates Z: 96 95.984 2.484 0.793 0.728 0.937 0.747 CB 1.922 96 residues pruned to eliminate duplicates Z: 95 86.656 2.481 0.639 0.700 0.947 0.766 CB 1.934 95 residues pruned to eliminate duplicates Z: 98 87.280 2.463 0.639 0.714 0.938 0.773 CB 1.928 98 residues pruned to eliminate duplicates Z: 96 94.903 2.465 0.773 0.727 0.947 0.737 CB 1.916 72 residues pruned to eliminate duplicates Z: 27 85.319 2.549 1.267 0.905 1.000 0.923 CB 2.061 27 residues pruned to eliminate duplicates Z: 129 106.323 2.405 0.876 0.725 0.945 0.734 CB 1.799 129 residues pruned to eliminate duplicates Z: 142 110.079 2.399 0.818 0.752 0.965 0.738 CB 1.760 142 residues pruned to eliminate duplicates Z: 130 100.172 2.387 0.801 0.717 0.953 0.682 CB 1.768 130 residues pruned to eliminate duplicates Z: 13 21.053 2.291 0.343 0.642 0.917 0.667 CB 1.886 13 residues pruned to eliminate duplicates Z: 12 20.497 2.361 0.166 0.694 1.000 0.727 CA 1.880 12 residues pruned to eliminate duplicates Z: 73 96.822 2.571 0.791 0.771 0.972 0.750 CB 2.006 73 residues pruned to eliminate duplicates Z: 145 109.227 2.373 0.825 0.744 0.979 0.771 CB 1.725 145 residues pruned to eliminate duplicates Z: 128 102.476 2.399 0.831 0.726 0.953 0.740 CB 1.773 128 residues pruned to eliminate duplicates Z: 40 81.430 2.514 1.061 0.770 0.974 0.769 CB 2.034 40 residues pruned to eliminate duplicates Z: 144 111.175 2.387 0.813 0.749 0.979 0.790 CB 1.757 144 residues pruned to eliminate duplicates Z: 94 79.493 2.416 0.688 0.674 0.914 0.656 CB 1.882 94 residues pruned to eliminate duplicates Z: 89 97.081 2.499 0.831 0.737 0.943 0.773 CB 1.938 89 residues pruned to eliminate duplicates Z: 97 86.081 2.424 0.694 0.716 0.938 0.719 CB 1.878 97 residues pruned to eliminate duplicates Z: 10 8.963 1.689 0.653 0.577 0.778 0.667 CB 1.277 10 residues pruned to eliminate duplicates Z: 96 81.744 2.465 0.577 0.725 0.937 0.758 CB 1.879 96 residues pruned to eliminate duplicates Z: 127 91.382 2.416 0.634 0.722 0.944 0.762 CB 1.787 127 residues pruned to eliminate duplicates Z: 68 54.048 2.161 0.839 0.697 0.910 0.657 CB 1.525 68 residues pruned to eliminate duplicates Z: 27 33.507 2.185 0.551 0.747 0.923 0.692 CB 1.685 27 residues pruned to eliminate duplicates Z: 106 79.279 2.307 0.702 0.725 0.962 0.752 CB 1.673 71 residues pruned to eliminate duplicates Z: 25 43.502 2.166 0.861 0.831 0.958 0.833 CB 1.726 25 residues pruned to eliminate duplicates Z: 78 57.881 2.188 0.720 0.728 0.948 0.753 CB 1.506 78 residues pruned to eliminate duplicates Z: 81 57.607 2.133 0.826 0.667 0.938 0.663 CB 1.512 81 residues pruned to eliminate duplicates Z: 95 81.778 2.452 0.629 0.701 0.904 0.734 CB 1.945 95 residues pruned to eliminate duplicates Z: 142 102.901 2.386 0.762 0.738 0.972 0.752 CB 1.713 106 residues pruned to eliminate duplicates Z: 11 19.311 2.103 0.334 0.838 0.900 0.700 CA 1.807 11 residues pruned to eliminate duplicates Z: 140 99.252 2.376 0.725 0.719 0.978 0.799 CB 1.722 140 residues pruned to eliminate duplicates Z: 57 46.935 2.178 0.741 0.689 0.929 0.750 CB 1.498 57 residues pruned to eliminate duplicates Z: 66 61.868 2.378 0.530 0.715 0.985 0.754 CB 1.763 66 residues pruned to eliminate duplicates Z: 96 85.503 2.445 0.615 0.696 0.968 0.726 CB 1.919 96 residues pruned to eliminate duplicates Z: 51 57.200 2.430 0.526 0.701 0.980 0.680 CB 1.854 51 residues pruned to eliminate duplicates Z: 147 83.352 2.237 0.740 0.686 0.938 0.712 CB 1.594 147 residues pruned to eliminate duplicates Z: 70 77.037 2.502 0.616 0.714 0.971 0.725 CB 1.945 70 residues pruned to eliminate duplicates Z: 144 74.098 2.206 0.710 0.648 0.916 0.643 CB 1.563 144 residues pruned to eliminate duplicates Z: 72 60.074 2.194 0.866 0.698 0.944 0.704 CB 1.540 72 residues pruned to eliminate duplicates Z: 88 86.345 2.524 0.597 0.725 0.966 0.690 CB 1.942 88 residues pruned to eliminate duplicates Z: 183 106.775 2.334 0.737 0.706 0.962 0.720 CB 1.683 183 residues pruned to eliminate duplicates Z: 96 88.014 2.481 0.678 0.718 0.937 0.800 CB 1.902 70 residues pruned to eliminate duplicates Z: 17 34.975 2.445 0.357 0.927 1.000 0.938 CA 1.847 17 residues pruned to eliminate duplicates Z: 143 101.491 2.382 0.691 0.747 0.979 0.782 CB 1.733 143 residues pruned to eliminate duplicates Z: 51 49.468 2.368 0.457 0.658 0.940 0.600 CB 1.863 51 residues pruned to eliminate duplicates Z: 95 90.720 2.480 0.720 0.703 0.957 0.798 CB 1.905 95 residues pruned to eliminate duplicates Z: 146 92.960 2.374 0.616 0.721 0.959 0.738 CB 1.719 146 residues pruned to eliminate duplicates Z: 94 85.519 2.445 0.639 0.706 0.957 0.731 CB 1.919 21 residues pruned to eliminate duplicates Z: 18 33.839 2.409 0.442 0.892 0.941 0.941 CB 1.804 18 residues pruned to eliminate duplicates Z: 183 104.864 2.315 0.752 0.700 0.951 0.698 CB 1.681 183 residues pruned to eliminate duplicates Z: 107 77.424 2.296 0.684 0.727 0.962 0.726 CB 1.647 107 residues pruned to eliminate duplicates Z: 116 100.734 2.428 0.797 0.732 0.974 0.765 CB 1.794 116 residues pruned to eliminate duplicates Z: 97 82.407 2.399 0.650 0.695 0.948 0.688 CB 1.876 97 residues pruned to eliminate duplicates Z: 127 95.730 2.413 0.686 0.731 0.952 0.794 CB 1.787 130 residues pruned to eliminate duplicates Z: 18 48.050 2.491 0.670 0.909 1.000 0.882 C 1.988 18 residues pruned to eliminate duplicates Z: 80 82.720 2.528 0.694 0.702 0.937 0.709 CB 1.930 80 residues pruned to eliminate duplicates Z: 128 100.352 2.414 0.766 0.725 0.953 0.764 CB 1.789 128 residues pruned to eliminate duplicates 261 residues left after pruning, divided into chains as follows: A: 167 B: 94 CC for partial structure against native data = 29.53 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.543, Connect. = 0.796 for dens.mod. cycle 1 = 0.300, Contrast = 0.604, Connect. = 0.811 for dens.mod. cycle 2 = 0.300, Contrast = 0.712, Connect. = 0.838 for dens.mod. cycle 3 = 0.300, Contrast = 0.712, Connect. = 0.841 for dens.mod. cycle 4 = 0.300, Contrast = 0.720, Connect. = 0.844 for dens.mod. cycle 5 = 0.300, Contrast = 0.722, Connect. = 0.846 for dens.mod. cycle 6 = 0.300, Contrast = 0.726, Connect. = 0.848 for dens.mod. cycle 7 = 0.300, Contrast = 0.728, Connect. = 0.849 for dens.mod. cycle 8 = 0.300, Contrast = 0.731, Connect. = 0.850 for dens.mod. cycle 9 = 0.300, Contrast = 0.732, Connect. = 0.851 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.30 - 2.61 - 2.28 - 2.07 - 1.92 - 1.80 - 1.71 - 1.64 - 1.57 - 1.51 0.701 0.748 0.763 0.735 0.696 0.649 0.607 0.553 0.478 0.439 0.869 0.897 0.899 0.863 0.816 0.749 0.692 0.631 0.549 0.506 N 6490 6517 6434 6486 6506 6894 6531 6096 7061 5541 Estimated mean FOM = 0.639 Pseudo-free CC = 66.65 % Best trace (cycle 1 with CC 42.72%) was saved as ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 6.3 - Setup, data input and phasing 24.8 - FFTs and peak-searches 55.9 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 1678.5 - Tripeptide search 16596.1 - Chain tracing 0.0 - NCS analysis 38.1 - B-value refinement for trace 0.9 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 04:13:27 Total time: 18401.49 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 308.27 Used memory is bytes: 4755160