++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:02:47 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: ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.ins Phases from ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.phi Native data from ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.hkl Listing output to ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.lst Phases output to ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.phs Poly-Ala trace output to ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 Allowed origin shift code: 8 59789 Reflections read from file ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.phi 59789 Reflections read from file ./2i5i-1.7-parrot-hancs/2i5i-1.7-parrot-hancs.hkl 59789 Unique data, highest resolution = 1.701 Angstroms Anisotropic scaling: intensities multiplied by 0.000066h^2 +0.000066k^2 -0.000184l^2 +0.000000kl +0.000000hl +0.000066hk 51 Reflections with d > 1.901 and 0 in range 1.901 > d > 1.701 added Density sharpening factor set to 1.20 Fourier grid = 256 x 256 x 51 0.000 <= z <= 0.333 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.540 ** -f missing ?? ** = 0.299, Contrast = 0.310, Connect. = 0.714 for dens.mod. cycle 1 = 0.299, Contrast = 0.385, Connect. = 0.722 for dens.mod. cycle 2 = 0.299, Contrast = 0.522, Connect. = 0.765 for dens.mod. cycle 3 = 0.299, Contrast = 0.571, Connect. = 0.778 for dens.mod. cycle 4 = 0.299, Contrast = 0.602, Connect. = 0.786 for dens.mod. cycle 5 = 0.299, Contrast = 0.622, Connect. = 0.791 for dens.mod. cycle 6 = 0.299, Contrast = 0.636, Connect. = 0.795 for dens.mod. cycle 7 = 0.299, Contrast = 0.647, Connect. = 0.797 for dens.mod. cycle 8 = 0.299, Contrast = 0.655, Connect. = 0.799 for dens.mod. cycle 9 = 0.299, Contrast = 0.662, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2795 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 512 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 31.940 2.204 0.899 0.841 1.000 0.769 CB 1.579 B: 20 35.791 2.118 0.965 0.946 0.947 0.632 CB 1.440 C: 11 10.488 1.979 0.629 0.643 0.900 0.800 CB 1.000 D: 11 17.205 2.175 0.678 0.678 0.900 0.800 CB 1.406 E: 14 24.454 2.216 0.501 0.888 1.000 0.846 CB 1.469 F: 20 28.196 2.099 0.478 0.952 1.000 0.947 CB 1.436 20 residues pruned to eliminate duplicates G: 13 35.407 2.256 1.153 0.916 1.000 0.917 CB 1.487 14 residues pruned to eliminate duplicates H: 20 31.985 2.117 0.728 0.914 0.947 0.526 CB 1.498 20 residues pruned to eliminate duplicates I: 14 30.283 2.207 1.009 0.871 1.000 0.692 CB 1.382 13 residues pruned to eliminate duplicates J: 14 22.422 2.128 0.515 0.910 1.000 0.923 CB 1.368 K: 14 24.059 2.028 1.044 0.836 0.923 0.385 CB 1.305 L: 15 22.396 2.134 0.618 0.877 1.000 0.857 CB 1.259 15 residues pruned to eliminate duplicates M: 13 17.128 2.030 0.446 0.894 1.000 0.833 CB 1.209 N: 18 27.106 2.201 0.732 0.749 1.000 0.706 CA 1.381 14 residues pruned to eliminate duplicates O: 14 26.766 1.999 0.999 0.931 1.000 0.923 CB 1.298 P: 14 20.912 2.085 0.514 0.907 1.000 0.846 CB 1.306 14 residues pruned to eliminate duplicates Q: 11 22.856 2.273 1.336 0.572 1.000 0.900 CB 1.270 4 residues pruned to eliminate duplicates R: 35 25.668 1.917 0.813 0.562 0.941 0.706 CB 1.267 14 residues pruned to eliminate duplicates S: 8 9.677 2.004 0.556 0.420 1.000 0.857 CB 1.275 T: 14 25.483 2.152 0.529 0.887 1.000 0.923 CA 1.549 14 residues pruned to eliminate duplicates U: 53 39.304 2.135 0.781 0.588 0.942 0.577 CB 1.399 31 residues pruned to eliminate duplicates V: 15 22.780 1.967 0.698 0.913 1.000 0.857 CB 1.290 15 residues pruned to eliminate duplicates W: 7 8.316 2.068 0.693 0.569 0.833 0.667 CB 1.088 7 residues pruned to eliminate duplicates X: 15 24.662 2.149 0.588 0.867 1.000 0.786 CA 1.413 15 residues pruned to eliminate duplicates Y: 11 19.911 2.063 1.139 0.890 0.900 0.500 CB 1.141 11 residues pruned to eliminate duplicates Z: 6 3.814 1.476 0.797 0.605 1.000 0.400 CB 0.582 Z: 10 14.690 2.137 0.635 0.594 0.889 0.667 CB 1.441 10 residues pruned to eliminate duplicates Z: 14 17.760 1.894 0.601 0.871 1.000 0.769 CA 1.185 14 residues pruned to eliminate duplicates Z: 14 28.992 2.234 0.755 0.912 1.000 0.923 CB 1.452 14 residues pruned to eliminate duplicates Z: 11 14.167 1.980 0.488 0.705 0.900 0.600 CB 1.402 10 residues pruned to eliminate duplicates Z: 20 32.066 1.956 0.935 0.941 1.000 0.579 CB 1.349 Z: 9 9.412 2.034 0.774 0.601 0.875 0.875 CA 0.957 9 residues pruned to eliminate duplicates Z: 44 38.741 2.196 0.947 0.608 0.953 0.535 CB 1.308 29 residues pruned to eliminate duplicates Z: 21 31.776 2.097 0.622 0.914 1.000 0.900 CB 1.478 21 residues pruned to eliminate duplicates Z: 14 24.145 1.983 0.847 0.910 1.000 0.923 CB 1.297 14 residues pruned to eliminate duplicates Z: 16 19.912 2.037 0.456 0.856 1.000 0.667 CB 1.279 19 residues pruned to eliminate duplicates Z: 15 27.998 2.000 1.219 0.885 0.929 0.857 CB 1.311 15 residues pruned to eliminate duplicates Z: 19 24.875 1.975 0.615 0.930 1.000 0.833 CB 1.286 19 residues pruned to eliminate duplicates Z: 66 36.128 2.019 0.582 0.615 0.923 0.585 CB 1.363 55 residues pruned to eliminate duplicates Z: 14 19.469 1.974 0.651 0.878 0.923 0.538 CB 1.302 14 residues pruned to eliminate duplicates Z: 13 11.815 1.868 0.179 0.841 1.000 0.833 CB 1.154 Z: 19 30.811 1.995 0.816 0.939 1.000 0.444 CB 1.393 19 residues pruned to eliminate duplicates Z: 13 20.559 2.020 0.517 0.920 1.000 0.500 CB 1.364 13 residues pruned to eliminate duplicates Z: 47 35.471 2.144 0.859 0.588 0.913 0.674 CB 1.321 47 residues pruned to eliminate duplicates Z: 17 30.259 2.147 0.822 0.933 0.938 0.500 CB 1.439 17 residues pruned to eliminate duplicates Z: 13 20.889 2.250 0.388 0.863 1.000 0.917 CB 1.416 13 residues pruned to eliminate duplicates Z: 21 31.112 2.057 0.576 0.925 1.000 0.850 CB 1.507 21 residues pruned to eliminate duplicates Z: 21 30.979 2.195 0.519 0.862 0.950 0.800 CB 1.605 21 residues pruned to eliminate duplicates Z: 15 21.691 1.899 0.886 0.880 1.000 0.714 CB 1.173 15 residues pruned to eliminate duplicates Z: 7 15.092 1.844 0.864 0.854 1.000 0.833 CB 1.324 11 residues pruned to eliminate duplicates Z: 36 29.917 2.111 0.861 0.502 0.914 0.543 CB 1.405 34 residues pruned to eliminate duplicates Z: 15 24.625 2.084 0.571 0.865 1.000 0.786 CA 1.473 15 residues pruned to eliminate duplicates Z: 21 28.872 2.047 0.516 0.927 0.950 0.800 CB 1.534 21 residues pruned to eliminate duplicates Z: 36 35.583 2.200 0.704 0.588 0.943 0.571 CA 1.564 36 residues pruned to eliminate duplicates Z: 12 13.275 1.991 0.691 0.356 1.000 0.545 CB 1.389 Z: 11 12.881 1.801 0.599 0.554 1.000 0.700 CB 1.343 11 residues pruned to eliminate duplicates Z: 9 10.775 1.999 0.461 0.553 0.875 0.500 CB 1.416 Z: 15 18.669 2.075 0.457 0.852 1.000 0.857 CB 1.221 15 residues pruned to eliminate duplicates Z: 41 28.927 1.943 0.796 0.534 0.900 0.525 CB 1.409 43 residues pruned to eliminate duplicates Z: 7 7.481 2.021 0.508 0.678 0.833 0.500 CB 1.020 Z: 14 18.248 2.169 0.673 0.509 0.923 0.769 CA 1.498 14 residues pruned to eliminate duplicates Z: 8 8.288 2.159 0.356 0.480 0.857 0.429 CB 1.274 Z: 14 13.895 1.806 0.408 0.859 0.923 0.846 CB 1.209 13 residues pruned to eliminate duplicates Z: 8 4.087 1.750 -0.058 0.424 1.000 0.857 CB 1.014 Z: 6 10.673 1.883 0.237 0.887 1.000 1.000 CB 1.478 6 residues pruned to eliminate duplicates Z: 20 30.421 1.984 0.772 0.932 1.000 0.947 CB 1.386 20 residues pruned to eliminate duplicates Z: 20 32.496 2.115 0.732 0.934 0.947 0.947 CB 1.498 20 residues pruned to eliminate duplicates Z: 20 29.190 2.076 0.916 0.927 0.895 0.632 CB 1.319 20 residues pruned to eliminate duplicates Z: 14 14.579 1.938 0.448 0.874 0.846 0.769 CA 1.239 14 residues pruned to eliminate duplicates Z: 13 25.312 2.167 0.981 0.798 0.917 0.583 CB 1.430 13 residues pruned to eliminate duplicates Z: 6 12.882 1.982 0.694 0.816 1.000 0.600 CB 1.304 6 residues pruned to eliminate duplicates Z: 15 21.205 2.015 0.630 0.861 1.000 0.857 CB 1.268 15 residues pruned to eliminate duplicates Z: 42 13.711 1.938 0.452 0.390 0.732 0.512 CB 1.169 42 residues pruned to eliminate duplicates Z: 13 24.225 2.184 0.651 0.894 1.000 0.917 CB 1.392 13 residues pruned to eliminate duplicates Z: 12 7.756 1.522 0.351 0.866 1.000 0.909 CB 0.832 Z: 12 25.718 2.118 1.067 0.900 1.000 0.727 CB 1.265 13 residues pruned to eliminate duplicates Z: 21 28.420 1.972 0.683 0.921 1.000 0.800 CB 1.347 21 residues pruned to eliminate duplicates Z: 14 28.440 2.094 1.026 0.916 1.000 0.769 CB 1.313 14 residues pruned to eliminate duplicates Z: 13 24.619 2.091 0.745 0.908 1.000 1.000 CB 1.383 13 residues pruned to eliminate duplicates Z: 20 21.761 1.911 0.868 0.918 0.895 0.526 CB 1.103 20 residues pruned to eliminate duplicates Z: 21 31.491 2.018 0.968 0.894 0.900 0.400 CB 1.414 21 residues pruned to eliminate duplicates Z: 14 14.411 1.790 0.371 0.925 1.000 0.923 CB 1.143 Z: 11 5.922 1.607 0.349 0.682 0.900 0.800 CA 0.812 Z: 6 11.234 1.757 0.535 0.858 1.000 1.000 N 1.371 6 residues pruned to eliminate duplicates Z: 6 4.720 1.953 0.453 0.441 1.000 0.600 CA 0.790 5 residues pruned to eliminate duplicates Z: 6 16.140 2.153 0.731 0.778 1.000 1.000 CA 1.515 6 residues pruned to eliminate duplicates Z: 7 11.211 1.851 0.347 0.890 1.000 1.000 CB 1.320 7 residues pruned to eliminate duplicates Z: 11 11.809 1.660 0.534 0.827 0.900 0.800 CA 1.228 Z: 19 29.139 2.083 0.591 0.910 0.944 0.889 CB 1.556 19 residues pruned to eliminate duplicates Z: 10 18.520 2.113 0.786 0.657 1.000 0.889 CA 1.413 10 residues pruned to eliminate duplicates Z: 13 12.434 1.883 0.358 0.882 1.000 0.833 CA 1.016 13 residues pruned to eliminate duplicates Z: 13 27.524 2.032 0.884 0.924 1.000 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 19 29.552 1.975 1.061 0.921 1.000 0.611 CB 1.205 19 residues pruned to eliminate duplicates Z: 6 8.200 1.868 0.316 0.769 1.000 0.600 CA 1.175 Z: 51 36.825 2.175 0.699 0.511 0.940 0.660 CB 1.483 49 residues pruned to eliminate duplicates Z: 15 21.304 1.957 0.620 0.910 1.000 1.000 CB 1.274 15 residues pruned to eliminate duplicates Z: 19 27.022 1.977 1.204 0.893 0.889 0.444 CB 1.181 19 residues pruned to eliminate duplicates Z: 7 6.401 1.909 0.691 0.494 0.833 0.667 CA 0.978 7 residues pruned to eliminate duplicates Z: 15 14.636 1.784 0.482 0.839 0.929 0.714 CA 1.190 14 residues pruned to eliminate duplicates Z: 11 6.034 1.623 0.433 0.555 0.800 0.600 CB 0.972 11 residues pruned to eliminate duplicates Z: 15 23.235 1.975 0.720 0.933 1.000 0.429 CB 1.276 15 residues pruned to eliminate duplicates Z: 23 21.460 2.055 0.813 0.445 0.909 0.500 CB 1.430 23 residues pruned to eliminate duplicates Z: 6 6.042 1.455 0.602 0.824 1.000 0.600 CA 0.876 Z: 15 20.802 2.103 0.280 0.846 1.000 0.929 CA 1.535 21 residues pruned to eliminate duplicates Z: 23 15.774 2.020 0.528 0.410 0.864 0.500 CB 1.387 23 residues pruned to eliminate duplicates Z: 6 9.095 1.617 0.738 0.595 1.000 0.600 CB 1.322 Z: 14 12.736 1.759 0.359 0.825 1.000 0.769 CA 1.115 15 residues pruned to eliminate duplicates Z: 34 20.892 1.839 0.566 0.602 0.939 0.788 CB 1.220 22 residues pruned to eliminate duplicates Z: 21 11.896 1.764 0.555 0.450 0.950 0.550 CB 1.075 Z: 13 11.971 1.805 0.293 0.940 1.000 0.917 CB 1.028 13 residues pruned to eliminate duplicates Z: 14 20.252 2.091 0.382 0.853 1.000 0.538 CA 1.436 14 residues pruned to eliminate duplicates Z: 9 8.778 1.882 0.646 0.438 1.000 0.875 CB 1.068 9 residues pruned to eliminate duplicates Z: 7 7.024 1.624 0.254 0.775 1.000 0.667 CA 1.104 11 residues pruned to eliminate duplicates Z: 7 6.331 1.778 -0.071 0.588 1.000 0.667 CA 1.438 7 residues pruned to eliminate duplicates Z: 14 22.654 1.984 0.827 0.872 0.923 0.538 CA 1.369 14 residues pruned to eliminate duplicates Z: 10 13.151 2.005 0.373 0.874 0.889 0.889 CB 1.304 10 residues pruned to eliminate duplicates Z: 11 8.387 1.670 0.335 0.590 1.000 0.500 CB 1.091 Z: 25 18.953 1.938 0.501 0.622 0.917 0.542 CA 1.293 25 residues pruned to eliminate duplicates Z: 19 22.920 2.218 0.533 0.647 0.944 0.611 CB 1.468 19 residues pruned to eliminate duplicates Z: 21 25.698 2.180 0.574 0.698 1.000 0.650 CA 1.398 21 residues pruned to eliminate duplicates Z: 20 20.429 1.853 0.858 0.866 0.895 0.421 CB 1.113 20 residues pruned to eliminate duplicates Z: 27 31.539 2.102 0.883 0.794 0.885 0.500 CB 1.365 27 residues pruned to eliminate duplicates Z: 13 24.743 1.956 0.820 0.947 1.000 0.917 CB 1.387 13 residues pruned to eliminate duplicates Z: 15 21.429 1.998 0.676 0.842 0.929 0.643 CB 1.373 15 residues pruned to eliminate duplicates Z: 10 8.153 1.899 0.355 0.442 0.778 0.667 CA 1.441 8 residues pruned to eliminate duplicates Z: 14 24.931 2.097 1.018 0.874 1.000 0.692 CB 1.189 14 residues pruned to eliminate duplicates Z: 12 28.877 2.064 1.212 0.913 1.000 0.818 CB 1.350 12 residues pruned to eliminate duplicates Z: 10 4.723 1.555 0.195 0.400 1.000 0.556 CA 0.941 10 residues pruned to eliminate duplicates Z: 33 26.247 2.082 0.761 0.543 0.938 0.625 CB 1.295 33 residues pruned to eliminate duplicates Z: 21 28.858 2.024 0.541 0.898 1.000 0.750 CB 1.480 21 residues pruned to eliminate duplicates Z: 27 28.526 1.934 0.845 0.704 0.962 0.538 CB 1.355 27 residues pruned to eliminate duplicates Z: 10 6.187 1.787 0.511 0.365 0.778 0.556 CB 1.135 10 residues pruned to eliminate duplicates Z: 10 14.681 2.039 0.481 0.770 1.000 0.889 CA 1.277 11 residues pruned to eliminate duplicates Z: 37 22.795 1.855 0.745 0.654 0.944 0.583 CB 1.077 34 residues pruned to eliminate duplicates Z: 40 23.867 1.975 0.550 0.533 0.872 0.590 CB 1.386 26 residues pruned to eliminate duplicates Z: 14 16.746 1.803 0.770 0.937 1.000 0.538 CB 1.013 18 residues pruned to eliminate duplicates Z: 11 13.091 1.654 0.413 0.926 1.000 1.000 CA 1.243 11 residues pruned to eliminate duplicates Z: 14 10.170 1.708 0.185 0.915 1.000 1.000 CB 0.985 14 residues pruned to eliminate duplicates Z: 41 25.827 1.988 0.724 0.418 0.925 0.475 CB 1.404 41 residues pruned to eliminate duplicates Z: 11 12.545 1.913 0.202 0.898 1.000 0.900 CB 1.235 11 residues pruned to eliminate duplicates Z: 14 22.653 2.087 0.923 0.880 0.923 0.846 CB 1.229 14 residues pruned to eliminate duplicates Z: 19 16.466 1.861 0.727 0.624 0.889 0.500 CB 1.208 11 residues pruned to eliminate duplicates Z: 16 21.700 1.917 0.900 0.784 0.933 0.533 CA 1.284 16 residues pruned to eliminate duplicates Z: 14 27.803 2.092 1.126 0.883 1.000 0.769 CB 1.253 18 residues pruned to eliminate duplicates Z: 11 11.247 1.858 1.036 0.327 0.800 0.700 CB 1.422 11 residues pruned to eliminate duplicates Z: 13 14.078 1.992 0.178 0.932 1.000 1.000 CB 1.210 13 residues pruned to eliminate duplicates Z: 12 14.020 1.816 0.662 0.916 1.000 0.727 CB 0.989 12 residues pruned to eliminate duplicates Z: 14 12.311 1.942 0.407 0.715 0.769 0.462 CB 1.338 14 residues pruned to eliminate duplicates Z: 37 24.344 1.870 0.744 0.678 0.917 0.583 CB 1.152 36 residues pruned to eliminate duplicates Z: 6 12.472 1.893 0.550 0.883 1.000 1.000 CA 1.375 6 residues pruned to eliminate duplicates Z: 10 5.798 1.379 0.181 0.896 1.000 0.889 CB 0.850 Z: 19 12.068 2.092 0.701 0.403 0.778 0.333 CB 1.138 13 residues pruned to eliminate duplicates Z: 13 14.058 1.855 1.013 0.489 0.750 0.250 CB 1.466 8 residues pruned to eliminate duplicates Z: 14 17.224 1.795 0.742 0.934 1.000 1.000 CB 1.066 14 residues pruned to eliminate duplicates Z: 21 20.614 2.101 0.792 0.609 0.900 0.600 CB 1.227 21 residues pruned to eliminate duplicates Z: 19 27.512 1.946 0.980 0.933 0.889 0.500 CB 1.322 19 residues pruned to eliminate duplicates Z: 14 20.272 1.915 0.621 0.886 1.000 0.769 CA 1.307 13 residues pruned to eliminate duplicates Z: 22 9.043 1.768 0.392 0.331 0.762 0.381 CB 1.268 Z: 16 10.391 1.946 0.507 0.344 0.867 0.533 CB 1.250 12 residues pruned to eliminate duplicates Z: 13 13.082 1.913 0.621 0.499 0.917 0.333 CB 1.330 12 residues pruned to eliminate duplicates Z: 20 23.381 2.063 0.425 0.883 0.947 0.789 CA 1.392 20 residues pruned to eliminate duplicates Z: 13 23.101 1.985 0.831 0.879 1.000 0.750 CB 1.331 13 residues pruned to eliminate duplicates Z: 6 3.901 1.904 0.441 0.221 0.600 0.200 CB 1.470 6 residues pruned to eliminate duplicates Z: 10 4.091 1.740 0.091 0.328 0.778 0.444 CB 1.115 10 residues pruned to eliminate duplicates Z: 35 24.750 2.174 0.696 0.467 0.882 0.500 CB 1.350 35 residues pruned to eliminate duplicates Z: 7 4.219 1.702 0.229 0.505 0.833 0.667 CB 0.983 Z: 22 31.572 1.985 0.551 0.938 1.000 0.952 CA 1.556 22 residues pruned to eliminate duplicates Z: 12 20.446 1.944 0.718 0.903 1.000 0.636 CA 1.316 12 residues pruned to eliminate duplicates Z: 12 18.845 2.006 0.563 0.908 1.000 0.818 CB 1.287 12 residues pruned to eliminate duplicates Z: 8 6.854 1.629 0.742 0.494 1.000 0.571 CB 0.918 8 residues pruned to eliminate duplicates Z: 11 12.350 2.034 0.403 0.574 1.000 0.800 CB 1.275 11 residues pruned to eliminate duplicates Z: 7 11.771 2.064 0.738 0.491 1.000 0.667 CA 1.352 7 residues pruned to eliminate duplicates Z: 13 18.205 1.925 0.577 0.880 1.000 0.667 CB 1.255 13 residues pruned to eliminate duplicates 6 1.569 1.467 0.258 0.462 0.800 0.800 CB 0.494 ? 6 1.695 1.697 -0.222 0.518 0.600 0.400 CB 0.939 ? Z: 20 7.687 1.727 0.326 0.384 0.789 0.421 CB 1.103 20 residues pruned to eliminate duplicates Z: 16 18.306 1.744 0.635 0.893 1.000 0.867 CB 1.190 16 residues pruned to eliminate duplicates Z: 11 4.017 1.642 0.476 0.357 0.800 0.400 CB 0.764 11 residues pruned to eliminate duplicates Z: 22 13.593 1.852 0.670 0.444 0.952 0.571 CB 1.067 21 residues pruned to eliminate duplicates Z: 16 25.417 1.935 0.875 0.908 1.000 0.800 CB 1.285 16 residues pruned to eliminate duplicates Z: 14 6.688 1.574 0.451 0.456 0.615 0.462 O 1.380 14 residues pruned to eliminate duplicates Z: 14 20.685 1.969 0.851 0.886 0.923 0.846 CA 1.230 14 residues pruned to eliminate duplicates Z: 7 9.352 1.897 0.087 0.896 1.000 1.000 CB 1.327 7 residues pruned to eliminate duplicates Z: 14 29.910 2.215 0.796 0.881 1.000 0.769 CB 1.510 19 residues pruned to eliminate duplicates Z: 21 10.641 1.740 0.538 0.488 0.950 0.750 CB 0.947 21 residues pruned to eliminate duplicates Z: 9 6.126 1.529 0.296 0.903 1.000 0.750 CB 0.779 Z: 12 22.788 2.075 0.801 0.861 1.000 0.727 CA 1.351 12 residues pruned to eliminate duplicates Z: 7 3.573 1.700 0.060 0.450 0.833 0.333 CA 1.022 Z: 6 7.554 1.616 0.421 0.604 1.000 0.600 CA 1.333 6 residues pruned to eliminate duplicates Z: 34 30.118 2.087 0.866 0.628 0.879 0.424 CB 1.358 34 residues pruned to eliminate duplicates Z: 40 22.609 1.951 0.483 0.531 0.949 0.615 CB 1.279 40 residues pruned to eliminate duplicates Z: 24 9.785 1.815 0.420 0.393 0.870 0.391 CB 1.019 24 residues pruned to eliminate duplicates Z: 9 8.214 1.842 0.142 0.706 1.000 0.750 CA 1.144 9 residues pruned to eliminate duplicates Z: 7 4.056 1.462 0.393 0.506 0.833 0.833 N 0.970 7 residues pruned to eliminate duplicates Z: 13 19.176 2.124 0.678 0.886 1.000 0.500 CB 1.121 13 residues pruned to eliminate duplicates Z: 13 9.752 1.878 0.480 0.496 0.833 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 12 12.830 1.687 0.550 0.874 0.909 0.818 CB 1.184 12 residues pruned to eliminate duplicates Z: 13 9.524 1.507 0.447 0.882 1.000 0.667 CB 0.913 9 residues pruned to eliminate duplicates Z: 11 16.214 1.888 0.877 0.453 1.000 0.600 CA 1.518 10 residues pruned to eliminate duplicates Z: 24 22.495 1.995 0.778 0.763 0.913 0.522 CB 1.147 24 residues pruned to eliminate duplicates Z: 47 34.399 2.141 0.808 0.542 0.891 0.478 CB 1.410 47 residues pruned to eliminate duplicates Z: 20 14.604 1.865 0.480 0.549 0.842 0.526 CA 1.374 20 residues pruned to eliminate duplicates Z: 8 9.380 1.912 0.729 0.433 1.000 0.857 CB 1.150 8 residues pruned to eliminate duplicates Z: 13 13.628 1.911 0.523 0.860 0.833 0.667 CB 1.192 13 residues pruned to eliminate duplicates Z: 9 8.019 1.688 0.719 0.400 0.750 0.125 CB 1.448 9 residues pruned to eliminate duplicates Z: 25 24.860 2.020 0.956 0.721 0.917 0.542 CB 1.147 26 residues pruned to eliminate duplicates Z: 6 5.235 1.473 0.969 0.643 1.000 0.600 CB 0.706 6 residues pruned to eliminate duplicates Z: 11 9.490 1.629 0.753 0.881 1.000 0.800 CB 0.761 11 residues pruned to eliminate duplicates Z: 45 24.332 2.037 0.743 0.343 0.795 0.409 CB 1.541 47 residues pruned to eliminate duplicates Z: 6 2.721 1.484 0.646 0.544 0.800 0.800 CB 0.597 6 residues pruned to eliminate duplicates Z: 13 13.392 1.838 0.660 0.428 1.000 0.667 CB 1.365 13 residues pruned to eliminate duplicates Z: 7 8.022 1.638 0.705 0.822 0.833 0.667 CA 1.064 5 residues pruned to eliminate duplicates Z: 8 6.496 1.604 0.447 0.858 0.857 0.571 CB 0.909 8 residues pruned to eliminate duplicates Z: 28 15.266 1.751 0.419 0.738 0.963 0.630 CB 0.992 29 residues pruned to eliminate duplicates Z: 18 20.494 2.007 0.615 0.772 0.882 0.471 CA 1.366 18 residues pruned to eliminate duplicates Z: 14 17.100 1.954 0.630 0.895 0.923 0.615 CB 1.157 14 residues pruned to eliminate duplicates Z: 6 4.298 1.686 0.126 0.524 0.800 0.600 CB 1.236 6 residues pruned to eliminate duplicates Z: 8 4.785 1.633 -0.140 0.898 1.000 0.857 CB 0.921 8 residues pruned to eliminate duplicates Z: 13 14.506 1.790 0.549 0.920 1.000 0.833 CB 1.063 13 residues pruned to eliminate duplicates Z: 78 41.927 2.162 0.727 0.492 0.922 0.545 CB 1.400 78 residues pruned to eliminate duplicates Z: 21 33.716 1.925 1.069 0.922 1.000 0.600 CA 1.331 21 residues pruned to eliminate duplicates Z: 11 11.371 1.799 0.431 0.719 1.000 0.700 CB 1.147 11 residues pruned to eliminate duplicates Z: 9 8.392 1.608 0.608 0.881 1.000 0.750 CB 0.831 9 residues pruned to eliminate duplicates Z: 8 6.529 1.464 0.351 0.802 1.000 0.714 CA 0.958 7 residues pruned to eliminate duplicates Z: 20 24.769 1.940 0.795 0.887 0.947 0.421 CA 1.242 20 residues pruned to eliminate duplicates Z: 9 2.677 1.511 0.642 0.135 0.750 0.250 CB 0.801 9 residues pruned to eliminate duplicates Z: 8 6.236 1.478 0.537 0.906 1.000 0.714 CB 0.738 8 residues pruned to eliminate duplicates Z: 10 7.446 1.557 0.388 0.912 0.889 0.667 CB 0.915 11 residues pruned to eliminate duplicates Z: 13 22.721 2.056 0.763 0.850 1.000 0.500 CA 1.340 13 residues pruned to eliminate duplicates Z: 14 36.497 2.229 1.271 0.938 1.000 0.923 CB 1.391 14 residues pruned to eliminate duplicates Z: 13 12.994 1.816 0.823 0.533 0.833 0.500 CB 1.317 13 residues pruned to eliminate duplicates Z: 12 13.608 1.780 0.730 0.656 0.909 0.636 CA 1.267 12 residues pruned to eliminate duplicates Z: 13 11.467 1.925 0.649 0.427 0.917 0.583 CB 1.227 13 residues pruned to eliminate duplicates Z: 14 16.522 1.964 0.423 0.882 0.923 0.769 CA 1.286 14 residues pruned to eliminate duplicates Z: 12 5.841 1.660 0.060 0.390 1.000 0.545 CA 1.125 12 residues pruned to eliminate duplicates Z: 7 7.157 1.641 0.453 0.634 1.000 0.667 CB 1.081 7 residues pruned to eliminate duplicates Z: 9 7.128 1.587 0.454 0.521 1.000 0.500 CB 1.069 9 residues pruned to eliminate duplicates Z: 13 21.954 2.033 0.901 0.896 0.917 0.583 CB 1.282 13 residues pruned to eliminate duplicates Z: 16 11.035 1.738 0.525 0.789 0.867 0.600 CB 0.962 16 residues pruned to eliminate duplicates Z: 9 7.409 1.564 0.320 0.893 1.000 0.750 CB 0.911 8 residues pruned to eliminate duplicates Z: 14 22.750 2.099 0.762 0.892 1.000 0.692 CB 1.225 14 residues pruned to eliminate duplicates Z: 10 8.943 2.023 0.633 0.462 0.889 0.556 CA 1.055 10 residues pruned to eliminate duplicates Z: 20 17.571 1.844 0.784 0.617 0.895 0.526 CB 1.227 20 residues pruned to eliminate duplicates Z: 13 6.564 1.685 0.324 0.297 0.833 0.583 CA 1.279 13 residues pruned to eliminate duplicates Z: 18 12.382 1.847 0.560 0.434 1.000 0.471 CB 1.115 7 residues pruned to eliminate duplicates Z: 7 3.384 1.466 0.235 0.815 1.000 0.833 CB 0.580 7 residues pruned to eliminate duplicates Z: 7 5.991 1.839 0.459 0.410 0.833 0.333 CB 1.203 7 residues pruned to eliminate duplicates Z: 14 15.374 1.996 0.461 0.884 1.000 0.769 CA 1.056 14 residues pruned to eliminate duplicates Z: 29 26.391 2.139 0.883 0.520 0.893 0.536 CB 1.360 29 residues pruned to eliminate duplicates Z: 12 11.494 1.626 0.357 0.869 1.000 0.818 CB 1.147 11 residues pruned to eliminate duplicates Z: 14 7.217 1.694 0.394 0.583 0.846 0.692 CB 0.925 14 residues pruned to eliminate duplicates Z: 10 5.432 1.985 0.205 0.484 0.667 0.556 CB 1.154 10 residues pruned to eliminate duplicates Z: 60 25.902 2.025 0.649 0.377 0.864 0.424 CB 1.331 70 residues pruned to eliminate duplicates Z: 8 3.306 1.482 0.076 0.269 0.857 0.857 CA 1.189 Z: 21 11.293 1.753 0.564 0.434 0.850 0.550 CB 1.161 21 residues pruned to eliminate duplicates Z: 21 30.162 2.031 0.546 0.898 1.000 0.850 CB 1.537 21 residues pruned to eliminate duplicates Z: 10 8.492 2.018 0.182 0.455 0.889 0.667 CA 1.399 10 residues pruned to eliminate duplicates Z: 13 16.875 1.923 0.571 0.879 1.000 0.750 CA 1.169 13 residues pruned to eliminate duplicates Z: 14 15.568 1.759 0.489 0.913 1.000 0.846 CB 1.166 14 residues pruned to eliminate duplicates Z: 11 10.444 1.684 0.166 0.916 1.000 0.600 CB 1.188 11 residues pruned to eliminate duplicates Z: 29 26.232 2.076 0.641 0.516 0.964 0.607 CB 1.486 29 residues pruned to eliminate duplicates Z: 6 5.483 1.827 0.174 0.521 1.000 0.800 CB 1.120 6 residues pruned to eliminate duplicates Z: 6 2.990 1.503 0.126 0.328 0.800 0.600 O 1.194 Z: 7 8.078 1.990 0.228 0.525 1.000 0.833 CB 1.316 7 residues pruned to eliminate duplicates Z: 21 26.966 2.126 0.672 0.647 1.000 0.650 CA 1.478 21 residues pruned to eliminate duplicates Z: 15 6.360 1.693 0.358 0.502 0.857 0.643 CB 0.861 15 residues pruned to eliminate duplicates Z: 27 19.240 2.104 0.636 0.503 0.885 0.462 CB 1.236 27 residues pruned to eliminate duplicates Z: 15 21.028 2.130 0.525 0.821 0.929 0.714 CA 1.410 15 residues pruned to eliminate duplicates Z: 7 7.130 1.664 0.428 0.847 1.000 0.500 CB 0.909 7 residues pruned to eliminate duplicates Z: 28 21.724 1.978 0.599 0.701 0.889 0.704 CA 1.238 28 residues pruned to eliminate duplicates Z: 33 27.927 2.100 0.847 0.504 0.906 0.500 CB 1.399 33 residues pruned to eliminate duplicates Z: 10 8.596 1.594 0.565 0.680 1.000 0.778 CB 0.974 10 residues pruned to eliminate duplicates Z: 22 19.138 1.998 0.552 0.579 0.952 0.714 CB 1.311 22 residues pruned to eliminate duplicates Z: 13 17.393 2.081 0.600 0.689 1.000 0.833 CA 1.269 13 residues pruned to eliminate duplicates Z: 36 27.198 2.062 0.686 0.547 0.943 0.571 CB 1.339 31 residues pruned to eliminate duplicates Z: 14 6.689 1.428 0.447 0.590 0.923 0.615 CB 0.892 14 residues pruned to eliminate duplicates Z: 14 11.713 1.843 0.780 0.453 0.769 0.692 CA 1.351 14 residues pruned to eliminate duplicates Z: 14 18.641 2.022 0.775 0.731 0.923 0.538 CB 1.268 14 residues pruned to eliminate duplicates Z: 7 6.507 2.004 0.658 0.345 1.000 0.333 CB 0.946 7 residues pruned to eliminate duplicates Z: 11 13.239 2.022 0.440 0.574 0.900 0.800 CA 1.488 11 residues pruned to eliminate duplicates Z: 12 23.977 2.237 0.871 0.830 1.000 0.636 CB 1.298 12 residues pruned to eliminate duplicates Z: 13 6.410 1.682 0.501 0.347 0.667 0.500 CB 1.298 13 residues pruned to eliminate duplicates Z: 28 18.818 1.898 0.635 0.683 0.889 0.481 CB 1.110 28 residues pruned to eliminate duplicates Z: 9 6.535 1.480 0.221 0.877 1.000 0.875 CB 0.928 9 residues pruned to eliminate duplicates Z: 10 9.212 1.821 0.577 0.473 1.000 0.667 CB 1.099 10 residues pruned to eliminate duplicates Z: 6 4.791 1.445 0.466 0.816 0.800 0.600 CA 0.961 6 residues pruned to eliminate duplicates 6 1.933 1.579 0.114 0.481 1.000 0.400 CB 0.501 ? Z: 13 21.089 1.998 0.688 0.885 1.000 0.917 CB 1.303 13 residues pruned to eliminate duplicates Z: 29 26.775 2.021 0.892 0.541 0.929 0.607 CB 1.369 29 residues pruned to eliminate duplicates Z: 10 4.559 1.367 0.342 0.864 1.000 1.000 CB 0.607 10 residues pruned to eliminate duplicates Z: 22 9.466 1.615 0.393 0.416 0.857 0.524 CA 1.170 23 residues pruned to eliminate duplicates 482 residues left after pruning, divided into chains as follows: A: 11 B: 58 C: 13 D: 7 E: 34 F: 36 G: 65 H: 19 I: 13 J: 18 K: 12 L: 153 M: 22 N: 21 CC for partial structure against native data = 32.59 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.299, Contrast = 0.435, Connect. = 0.742 for dens.mod. cycle 1 = 0.299, Contrast = 0.490, Connect. = 0.760 for dens.mod. cycle 2 = 0.299, Contrast = 0.628, Connect. = 0.798 for dens.mod. cycle 3 = 0.299, Contrast = 0.643, Connect. = 0.801 for dens.mod. cycle 4 = 0.299, Contrast = 0.659, Connect. = 0.802 for dens.mod. cycle 5 = 0.299, Contrast = 0.668, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.677, Connect. = 0.805 for dens.mod. cycle 7 = 0.299, Contrast = 0.683, Connect. = 0.806 for dens.mod. cycle 8 = 0.299, Contrast = 0.689, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.693, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2745 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 584 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 41.726 2.257 0.695 0.930 0.952 0.714 CB 1.748 B: 16 21.840 2.083 0.514 0.844 0.933 0.800 CA 1.425 C: 64 44.231 2.307 0.569 0.566 0.889 0.571 CB 1.625 16 residues pruned to eliminate duplicates D: 12 15.919 2.308 -0.008 0.936 0.909 0.909 CB 1.605 E: 15 34.387 2.284 0.847 0.860 1.000 0.429 CA 1.602 15 residues pruned to eliminate duplicates F: 21 32.495 2.297 0.343 0.937 0.900 0.850 CB 1.821 21 residues pruned to eliminate duplicates G: 15 26.531 2.253 0.662 0.930 1.000 1.000 CB 1.325 15 residues pruned to eliminate duplicates H: 14 39.558 2.447 0.910 0.913 1.000 0.846 CB 1.661 12 residues pruned to eliminate duplicates I: 14 30.117 2.380 0.720 0.903 0.923 0.692 CB 1.576 14 residues pruned to eliminate duplicates J: 16 29.386 2.188 0.752 0.903 1.000 0.867 CB 1.410 K: 21 35.682 2.305 0.689 0.925 0.850 0.450 CB 1.692 21 residues pruned to eliminate duplicates L: 16 20.347 2.189 0.321 0.840 1.000 0.800 CA 1.356 16 residues pruned to eliminate duplicates M: 23 21.632 2.075 0.589 0.523 0.909 0.455 CB 1.503 N: 12 18.299 2.254 0.296 0.800 1.000 0.818 CA 1.452 O: 11 14.533 2.161 0.536 0.468 0.900 0.500 CB 1.589 P: 24 16.834 2.009 0.333 0.444 0.913 0.609 CB 1.521 Q: 15 28.250 2.180 0.829 0.898 1.000 0.643 CB 1.355 15 residues pruned to eliminate duplicates R: 15 33.354 2.351 0.959 0.919 0.929 0.857 CB 1.469 15 residues pruned to eliminate duplicates S: 19 35.331 2.242 0.666 0.919 1.000 0.833 CB 1.572 T: 65 39.321 2.278 0.546 0.512 0.891 0.531 CB 1.548 12 residues pruned to eliminate duplicates U: 40 32.557 2.250 0.614 0.577 0.872 0.487 CB 1.529 16 residues pruned to eliminate duplicates V: 7 13.163 2.138 0.228 0.848 1.000 0.667 CA 1.518 W: 40 34.973 2.254 0.416 0.626 0.949 0.744 CB 1.642 40 residues pruned to eliminate duplicates X: 27 14.953 2.214 0.286 0.394 0.846 0.500 CB 1.360 27 residues pruned to eliminate duplicates Y: 21 38.294 2.280 0.515 0.910 0.950 0.900 CB 1.850 21 residues pruned to eliminate duplicates Z: 21 26.328 2.138 0.862 0.893 0.700 0.450 CB 1.517 21 residues pruned to eliminate duplicates Z: 21 36.487 2.207 0.849 0.911 0.950 0.650 CB 1.492 19 residues pruned to eliminate duplicates Z: 60 46.353 2.322 0.648 0.530 0.949 0.542 CB 1.614 64 residues pruned to eliminate duplicates Z: 22 23.534 1.925 0.284 0.804 1.000 0.857 CB 1.594 22 residues pruned to eliminate duplicates Z: 16 22.635 2.145 0.489 0.839 0.933 0.867 CA 1.464 16 residues pruned to eliminate duplicates Z: 15 16.240 2.196 0.154 0.833 0.857 0.571 CA 1.499 15 residues pruned to eliminate duplicates Z: 16 17.407 1.998 0.448 0.841 0.933 0.867 CB 1.241 Z: 14 35.038 2.352 0.948 0.942 1.000 1.000 CB 1.471 14 residues pruned to eliminate duplicates Z: 23 24.096 2.044 0.780 0.507 0.955 0.636 CB 1.469 23 residues pruned to eliminate duplicates Z: 9 13.875 2.245 0.373 0.540 0.875 0.250 CA 1.749 9 residues pruned to eliminate duplicates Z: 14 35.918 2.299 0.866 0.897 1.000 0.692 CB 1.662 14 residues pruned to eliminate duplicates Z: 7 15.057 2.178 0.300 0.872 1.000 0.667 CA 1.583 7 residues pruned to eliminate duplicates Z: 12 10.509 1.786 0.667 0.582 0.909 0.909 CB 1.082 Z: 22 43.208 2.268 0.821 0.914 0.952 0.714 CB 1.695 22 residues pruned to eliminate duplicates Z: 21 40.570 2.226 0.843 0.924 0.950 0.700 CB 1.635 21 residues pruned to eliminate duplicates Z: 15 26.145 2.222 0.705 0.777 1.000 0.643 CA 1.444 15 residues pruned to eliminate duplicates Z: 30 24.702 2.255 0.483 0.420 0.931 0.586 CA 1.601 30 residues pruned to eliminate duplicates Z: 18 9.230 2.009 0.024 0.297 0.882 0.529 CB 1.548 17 residues pruned to eliminate duplicates Z: 14 24.002 2.194 0.341 0.925 1.000 0.769 CB 1.588 14 residues pruned to eliminate duplicates Z: 14 36.572 2.433 0.701 0.910 1.000 0.923 CB 1.738 14 residues pruned to eliminate duplicates Z: 21 42.229 2.225 0.824 0.926 0.950 0.400 CA 1.718 21 residues pruned to eliminate duplicates Z: 30 29.187 2.288 0.641 0.602 0.931 0.724 CB 1.407 26 residues pruned to eliminate duplicates Z: 22 37.856 2.239 0.445 0.906 1.000 0.810 CB 1.816 22 residues pruned to eliminate duplicates Z: 10 23.727 2.304 0.672 0.767 1.000 0.778 CA 1.621 12 residues pruned to eliminate duplicates Z: 6 14.631 2.106 0.427 0.863 1.000 1.000 CB 1.597 6 residues pruned to eliminate duplicates Z: 63 46.926 2.296 0.653 0.556 0.952 0.435 CB 1.563 63 residues pruned to eliminate duplicates Z: 13 16.467 1.879 0.366 0.907 1.000 0.917 CB 1.317 Z: 14 16.554 1.979 0.272 0.874 1.000 0.846 CB 1.328 Z: 12 18.716 2.074 0.306 0.892 1.000 0.818 CA 1.497 13 residues pruned to eliminate duplicates Z: 15 35.672 2.317 0.713 0.930 1.000 0.929 CB 1.679 15 residues pruned to eliminate duplicates Z: 16 32.706 2.239 0.863 0.876 0.933 0.533 CB 1.576 16 residues pruned to eliminate duplicates Z: 20 13.031 2.132 0.376 0.462 0.842 0.474 CB 1.258 20 residues pruned to eliminate duplicates Z: 21 32.887 2.192 0.417 0.922 0.950 0.800 CB 1.752 21 residues pruned to eliminate duplicates Z: 14 32.682 2.282 0.739 0.914 1.000 0.692 CB 1.616 14 residues pruned to eliminate duplicates Z: 21 39.482 2.223 0.759 0.905 1.000 0.600 CB 1.607 21 residues pruned to eliminate duplicates Z: 64 49.078 2.298 0.621 0.588 0.937 0.603 CB 1.629 64 residues pruned to eliminate duplicates Z: 6 13.101 2.434 0.527 0.781 0.800 0.600 CA 1.538 6 residues pruned to eliminate duplicates Z: 19 18.179 2.210 0.517 0.460 0.889 0.722 CB 1.499 Z: 35 13.636 1.886 0.401 0.416 0.824 0.324 CB 1.174 Z: 61 52.785 2.322 0.712 0.630 0.967 0.433 CB 1.569 63 residues pruned to eliminate duplicates Z: 12 17.207 1.855 0.487 0.870 1.000 0.818 CB 1.373 Z: 22 36.431 2.242 0.541 0.936 0.952 0.810 CB 1.682 22 residues pruned to eliminate duplicates Z: 9 12.444 1.830 0.299 0.864 1.000 0.750 CB 1.357 9 residues pruned to eliminate duplicates Z: 14 32.730 2.433 0.597 0.896 1.000 0.923 CB 1.674 14 residues pruned to eliminate duplicates Z: 16 28.202 2.175 0.612 0.886 1.000 0.667 CB 1.499 16 residues pruned to eliminate duplicates Z: 17 29.546 2.086 0.861 0.919 1.000 0.562 CB 1.341 17 residues pruned to eliminate duplicates Z: 22 30.500 2.156 0.339 0.938 1.000 0.857 CB 1.603 22 residues pruned to eliminate duplicates Z: 10 8.196 1.903 0.034 0.733 1.000 0.333 CB 1.126 10 residues pruned to eliminate duplicates Z: 95 45.993 2.257 0.463 0.533 0.915 0.564 CB 1.520 94 residues pruned to eliminate duplicates Z: 9 13.093 2.073 0.141 0.891 1.000 0.750 CB 1.407 Z: 40 35.949 2.333 0.601 0.526 0.949 0.667 CB 1.584 40 residues pruned to eliminate duplicates Z: 21 34.800 2.210 0.677 0.915 0.950 0.650 CB 1.562 21 residues pruned to eliminate duplicates Z: 14 31.251 2.296 0.981 0.890 1.000 0.538 CB 1.371 14 residues pruned to eliminate duplicates Z: 15 10.082 1.898 0.419 0.436 0.786 0.500 CB 1.361 13 residues pruned to eliminate duplicates Z: 12 24.447 2.193 0.576 0.877 1.000 0.727 CB 1.549 12 residues pruned to eliminate duplicates Z: 19 36.802 2.187 1.267 0.936 0.889 0.667 CB 1.370 19 residues pruned to eliminate duplicates Z: 62 59.475 2.308 0.763 0.700 0.967 0.623 CB 1.612 63 residues pruned to eliminate duplicates Z: 6 10.709 2.058 0.603 0.620 0.800 0.400 C 1.620 6 residues pruned to eliminate duplicates Z: 11 11.904 1.947 0.503 0.708 1.000 1.000 CA 1.064 11 residues pruned to eliminate duplicates Z: 65 51.962 2.297 0.830 0.567 0.922 0.562 CB 1.570 60 residues pruned to eliminate duplicates Z: 64 46.584 2.276 0.565 0.580 0.937 0.619 CB 1.629 64 residues pruned to eliminate duplicates Z: 15 25.640 2.223 0.612 0.884 0.929 0.643 CB 1.488 15 residues pruned to eliminate duplicates Z: 14 19.757 2.183 0.695 0.454 0.923 0.692 CA 1.683 14 residues pruned to eliminate duplicates Z: 15 27.441 2.165 0.697 0.870 1.000 0.214 CA 1.458 15 residues pruned to eliminate duplicates Z: 15 14.480 1.952 0.246 0.784 0.929 0.643 CA 1.335 15 residues pruned to eliminate duplicates Z: 23 17.127 2.101 0.563 0.418 0.864 0.591 CB 1.402 19 residues pruned to eliminate duplicates Z: 55 52.249 2.353 0.696 0.593 0.963 0.648 CB 1.693 55 residues pruned to eliminate duplicates Z: 32 33.246 2.304 0.423 0.605 0.968 0.710 CB 1.703 32 residues pruned to eliminate duplicates Z: 11 15.362 2.058 0.731 0.663 0.800 0.600 CB 1.465 12 residues pruned to eliminate duplicates Z: 30 23.998 2.079 0.267 0.728 1.000 0.655 CB 1.378 25 residues pruned to eliminate duplicates Z: 14 9.740 1.743 0.364 0.424 0.923 0.308 CB 1.332 14 residues pruned to eliminate duplicates Z: 8 5.341 1.836 0.150 0.545 0.857 0.571 CB 1.067 Z: 64 38.933 2.060 0.553 0.651 0.937 0.635 CB 1.422 52 residues pruned to eliminate duplicates Z: 12 16.241 2.076 0.412 0.638 0.909 0.545 CB 1.614 12 residues pruned to eliminate duplicates Z: 21 27.330 2.171 0.788 0.557 0.900 0.500 CB 1.655 22 residues pruned to eliminate duplicates Z: 22 35.433 2.229 0.690 0.909 0.952 0.619 CB 1.529 22 residues pruned to eliminate duplicates Z: 8 9.780 2.036 0.312 0.357 1.000 0.714 CB 1.615 8 residues pruned to eliminate duplicates Z: 14 18.807 2.073 0.323 0.936 1.000 0.769 CB 1.325 14 residues pruned to eliminate duplicates Z: 14 14.427 2.070 0.595 0.470 0.769 0.692 CA 1.625 14 residues pruned to eliminate duplicates Z: 7 8.889 1.908 0.113 0.886 0.833 0.667 CA 1.479 7 residues pruned to eliminate duplicates Z: 91 49.575 2.255 0.548 0.571 0.933 0.533 CB 1.497 91 residues pruned to eliminate duplicates Z: 37 25.959 2.021 0.533 0.662 0.889 0.583 CB 1.353 30 residues pruned to eliminate duplicates Z: 12 21.964 1.926 0.755 0.903 1.000 0.909 CB 1.396 13 residues pruned to eliminate duplicates Z: 8 12.588 2.253 0.359 0.817 0.857 0.571 CB 1.376 8 residues pruned to eliminate duplicates Z: 39 32.100 2.106 0.540 0.619 0.974 0.658 CB 1.473 40 residues pruned to eliminate duplicates Z: 13 17.458 1.909 0.352 0.920 1.000 0.917 CB 1.376 Z: 14 14.290 2.014 0.215 0.822 1.000 0.846 CB 1.225 15 residues pruned to eliminate duplicates Z: 15 15.684 2.079 0.068 0.909 1.000 0.857 CB 1.340 15 residues pruned to eliminate duplicates Z: 17 19.500 2.062 0.329 0.876 1.000 0.875 CB 1.293 17 residues pruned to eliminate duplicates Z: 21 42.792 2.228 0.828 0.908 1.000 0.700 CB 1.669 21 residues pruned to eliminate duplicates Z: 6 16.547 2.262 0.658 0.675 1.000 0.800 CA 1.679 Z: 16 14.662 1.945 0.240 0.861 0.933 0.800 CB 1.236 16 residues pruned to eliminate duplicates Z: 12 17.688 1.973 0.368 0.896 1.000 0.909 CB 1.416 12 residues pruned to eliminate duplicates Z: 28 30.203 2.111 0.701 0.750 0.963 0.556 CB 1.345 28 residues pruned to eliminate duplicates Z: 15 16.183 1.985 0.382 0.855 0.929 0.786 CB 1.254 15 residues pruned to eliminate duplicates Z: 12 18.916 1.970 0.368 0.937 1.000 1.000 CA 1.473 12 residues pruned to eliminate duplicates Z: 14 23.574 2.308 0.384 0.862 1.000 0.769 CB 1.502 14 residues pruned to eliminate duplicates Z: 11 10.439 1.807 0.322 0.768 0.900 0.600 CB 1.210 11 residues pruned to eliminate duplicates Z: 10 5.287 1.635 0.346 0.785 0.778 0.444 CB 0.801 10 residues pruned to eliminate duplicates Z: 14 13.931 2.036 0.018 0.918 1.000 0.846 CB 1.314 14 residues pruned to eliminate duplicates Z: 62 46.977 2.313 0.590 0.638 0.902 0.541 CB 1.595 62 residues pruned to eliminate duplicates Z: 16 26.396 2.161 0.701 0.888 0.867 0.333 CB 1.541 16 residues pruned to eliminate duplicates Z: 35 22.505 2.087 0.640 0.414 0.912 0.441 CB 1.354 35 residues pruned to eliminate duplicates Z: 11 16.742 1.948 0.519 0.913 1.000 0.500 CB 1.266 11 residues pruned to eliminate duplicates Z: 13 16.011 1.735 0.648 0.906 1.000 0.500 CB 1.149 13 residues pruned to eliminate duplicates Z: 15 25.424 2.224 0.618 0.890 1.000 0.857 CB 1.359 15 residues pruned to eliminate duplicates Z: 14 21.548 2.069 0.576 0.841 1.000 0.692 CB 1.367 9 residues pruned to eliminate duplicates Z: 9 12.065 2.054 0.682 0.587 0.875 0.875 CB 1.299 9 residues pruned to eliminate duplicates Z: 58 42.412 2.282 0.650 0.530 0.947 0.509 CB 1.530 58 residues pruned to eliminate duplicates Z: 45 46.443 2.374 0.752 0.557 0.932 0.523 CB 1.710 45 residues pruned to eliminate duplicates Z: 17 15.302 2.150 0.713 0.421 0.812 0.562 CB 1.388 17 residues pruned to eliminate duplicates Z: 15 29.613 2.231 0.655 0.867 1.000 0.500 CA 1.568 15 residues pruned to eliminate duplicates Z: 11 14.076 2.131 0.315 0.726 0.800 0.700 CB 1.619 11 residues pruned to eliminate duplicates Z: 12 20.246 1.893 0.820 0.910 0.909 0.636 CB 1.383 12 residues pruned to eliminate duplicates Z: 11 16.126 1.949 0.670 0.786 0.900 0.700 CA 1.353 11 residues pruned to eliminate duplicates Z: 11 12.515 1.955 0.127 0.863 1.000 0.900 CB 1.318 11 residues pruned to eliminate duplicates Z: 11 13.797 2.024 0.440 0.863 0.900 0.800 CA 1.219 11 residues pruned to eliminate duplicates Z: 13 25.635 2.263 0.833 0.894 1.000 0.750 CB 1.280 13 residues pruned to eliminate duplicates Z: 21 29.713 2.176 0.369 0.909 1.000 0.900 CB 1.583 21 residues pruned to eliminate duplicates Z: 10 12.211 1.875 0.347 0.817 1.000 0.778 CB 1.223 9 residues pruned to eliminate duplicates Z: 10 10.835 1.795 0.456 0.863 0.889 0.556 CB 1.140 10 residues pruned to eliminate duplicates Z: 6 7.865 2.057 0.317 0.868 1.000 0.600 CB 0.949 6 residues pruned to eliminate duplicates Z: 12 25.406 2.183 0.779 0.887 1.000 0.545 CB 1.423 13 residues pruned to eliminate duplicates Z: 18 15.224 2.125 0.423 0.436 0.941 0.471 CB 1.386 18 residues pruned to eliminate duplicates Z: 6 8.334 1.786 0.353 0.763 1.000 1.000 CB 1.221 6 residues pruned to eliminate duplicates Z: 61 25.263 2.037 0.691 0.466 0.800 0.417 CB 1.225 64 residues pruned to eliminate duplicates Z: 14 18.453 2.090 0.571 0.835 0.846 0.692 CB 1.380 14 residues pruned to eliminate duplicates Z: 14 18.856 1.757 0.725 0.913 1.000 0.846 CB 1.222 14 residues pruned to eliminate duplicates Z: 37 34.664 2.183 0.530 0.713 0.972 0.667 CB 1.467 32 residues pruned to eliminate duplicates Z: 19 24.312 2.269 0.691 0.538 0.944 0.667 CB 1.523 15 residues pruned to eliminate duplicates Z: 51 33.335 2.278 0.655 0.472 0.860 0.440 CB 1.496 51 residues pruned to eliminate duplicates Z: 14 30.534 2.397 0.523 0.861 1.000 0.692 CA 1.704 14 residues pruned to eliminate duplicates Z: 20 37.650 2.317 0.563 0.891 0.947 0.737 CB 1.810 20 residues pruned to eliminate duplicates Z: 14 17.393 1.877 0.392 0.904 1.000 0.923 CB 1.314 Z: 22 41.557 2.240 0.941 0.928 0.905 0.476 CB 1.614 22 residues pruned to eliminate duplicates Z: 6 12.086 2.215 0.410 0.760 0.800 0.600 CB 1.718 6 residues pruned to eliminate duplicates Z: 28 31.576 2.283 0.624 0.665 0.889 0.778 CB 1.582 28 residues pruned to eliminate duplicates Z: 15 18.803 2.045 0.278 0.923 1.000 0.929 CA 1.352 15 residues pruned to eliminate duplicates Z: 7 8.730 1.876 0.220 0.622 1.000 0.500 CB 1.388 7 residues pruned to eliminate duplicates Z: 21 29.187 2.178 0.832 0.838 0.850 0.400 CB 1.438 21 residues pruned to eliminate duplicates Z: 10 13.351 1.907 0.368 0.848 1.000 0.667 CB 1.265 10 residues pruned to eliminate duplicates Z: 8 13.695 1.921 0.188 0.894 1.000 1.000 CB 1.627 8 residues pruned to eliminate duplicates Z: 82 47.941 2.249 0.592 0.573 0.889 0.531 CB 1.559 79 residues pruned to eliminate duplicates Z: 9 9.560 1.785 0.265 0.820 0.875 0.625 CB 1.296 9 residues pruned to eliminate duplicates Z: 28 15.553 2.046 0.378 0.470 0.778 0.481 CB 1.408 28 residues pruned to eliminate duplicates Z: 13 12.178 1.958 0.049 0.910 1.000 0.833 CB 1.215 13 residues pruned to eliminate duplicates Z: 9 4.033 1.720 0.594 0.372 0.750 0.625 CB 0.795 9 residues pruned to eliminate duplicates Z: 31 43.931 2.363 0.854 0.709 0.967 0.500 CB 1.566 31 residues pruned to eliminate duplicates Z: 21 38.665 2.224 0.496 0.937 1.000 0.700 CB 1.808 21 residues pruned to eliminate duplicates Z: 14 29.521 2.352 0.671 0.896 1.000 0.846 CB 1.493 14 residues pruned to eliminate duplicates Z: 6 5.855 1.739 -0.050 0.787 1.000 0.800 CA 1.233 6 residues pruned to eliminate duplicates Z: 13 19.299 2.144 0.474 0.907 0.833 0.750 CB 1.504 13 residues pruned to eliminate duplicates Z: 6 5.888 1.811 0.140 0.835 0.800 0.800 CA 1.193 6 residues pruned to eliminate duplicates Z: 74 33.149 2.247 0.450 0.440 0.863 0.466 CB 1.467 74 residues pruned to eliminate duplicates Z: 56 39.230 2.300 0.597 0.546 0.873 0.545 CB 1.577 56 residues pruned to eliminate duplicates Z: 60 46.878 2.283 0.719 0.551 0.932 0.576 CB 1.587 60 residues pruned to eliminate duplicates Z: 13 16.159 1.818 0.633 0.862 1.000 0.667 CB 1.154 13 residues pruned to eliminate duplicates Z: 7 10.308 1.943 0.138 0.872 1.000 0.833 CB 1.388 7 residues pruned to eliminate duplicates Z: 12 18.745 1.871 0.663 0.900 1.000 0.818 CA 1.298 12 residues pruned to eliminate duplicates Z: 20 16.160 2.185 0.453 0.434 0.895 0.368 CB 1.397 20 residues pruned to eliminate duplicates Z: 62 52.028 2.300 0.713 0.661 0.934 0.492 CB 1.558 65 residues pruned to eliminate duplicates Z: 65 39.562 2.222 0.519 0.528 0.922 0.547 CB 1.547 65 residues pruned to eliminate duplicates Z: 21 31.936 2.181 0.645 0.927 0.950 0.600 CB 1.468 21 residues pruned to eliminate duplicates Z: 16 20.276 2.143 0.268 0.852 0.933 0.933 CB 1.526 16 residues pruned to eliminate duplicates Z: 16 12.752 1.701 0.284 0.845 1.000 0.733 CB 1.121 16 residues pruned to eliminate duplicates Z: 25 20.774 2.049 0.435 0.672 0.958 0.583 CB 1.284 25 residues pruned to eliminate duplicates Z: 14 14.995 1.947 0.148 0.871 1.000 0.846 CA 1.357 14 residues pruned to eliminate duplicates Z: 55 32.219 2.278 0.506 0.480 0.926 0.519 CB 1.409 55 residues pruned to eliminate duplicates Z: 16 22.932 2.135 0.438 0.809 1.000 0.600 CA 1.473 16 residues pruned to eliminate duplicates Z: 50 34.110 2.122 0.695 0.618 0.898 0.551 CB 1.349 50 residues pruned to eliminate duplicates Z: 35 23.246 2.101 0.572 0.405 0.941 0.529 CB 1.418 35 residues pruned to eliminate duplicates Z: 16 23.716 2.180 0.562 0.841 0.933 0.467 CA 1.437 16 residues pruned to eliminate duplicates Z: 21 31.427 2.136 0.570 0.910 1.000 0.850 CB 1.486 21 residues pruned to eliminate duplicates Z: 8 10.147 1.993 0.013 0.874 0.857 0.571 CB 1.612 8 residues pruned to eliminate duplicates Z: 15 20.082 2.175 0.262 0.829 1.000 0.643 CA 1.471 15 residues pruned to eliminate duplicates Z: 39 32.541 2.135 0.653 0.663 0.947 0.658 CB 1.358 39 residues pruned to eliminate duplicates Z: 29 17.106 2.106 0.449 0.447 0.857 0.536 CB 1.304 29 residues pruned to eliminate duplicates Z: 12 18.544 1.999 0.458 0.920 1.000 0.636 CB 1.351 12 residues pruned to eliminate duplicates Z: 72 47.157 2.201 0.642 0.590 0.930 0.507 CB 1.528 69 residues pruned to eliminate duplicates Z: 7 5.020 1.970 0.101 0.551 0.833 0.667 CB 1.078 7 residues pruned to eliminate duplicates Z: 15 26.441 2.136 0.601 0.848 1.000 0.857 CA 1.532 15 residues pruned to eliminate duplicates Z: 14 12.207 1.786 0.192 0.875 0.923 0.846 CB 1.253 14 residues pruned to eliminate duplicates Z: 53 36.308 2.264 0.444 0.562 0.904 0.558 CB 1.604 53 residues pruned to eliminate duplicates Z: 21 30.925 2.101 0.956 0.916 0.950 0.500 CB 1.251 21 residues pruned to eliminate duplicates Z: 12 13.498 2.010 0.508 0.550 0.909 0.636 CB 1.407 12 residues pruned to eliminate duplicates Z: 79 47.263 2.265 0.513 0.583 0.885 0.577 CB 1.630 79 residues pruned to eliminate duplicates Z: 32 25.740 2.051 0.558 0.697 0.903 0.742 CB 1.339 31 residues pruned to eliminate duplicates Z: 14 14.633 1.841 0.327 0.879 1.000 0.769 CB 1.204 14 residues pruned to eliminate duplicates Z: 12 19.364 2.006 0.449 0.943 1.000 0.909 CB 1.393 12 residues pruned to eliminate duplicates Z: 39 31.960 2.136 0.637 0.668 0.895 0.605 CB 1.418 39 residues pruned to eliminate duplicates Z: 31 26.014 2.118 0.450 0.693 1.000 0.767 CB 1.296 31 residues pruned to eliminate duplicates Z: 15 24.163 2.251 0.434 0.851 1.000 0.571 CA 1.480 15 residues pruned to eliminate duplicates Z: 15 14.990 1.750 0.633 0.882 0.929 0.357 CB 1.093 15 residues pruned to eliminate duplicates Z: 45 33.308 2.093 0.851 0.613 0.909 0.500 CB 1.281 45 residues pruned to eliminate duplicates Z: 10 16.349 1.939 0.476 0.878 1.000 0.889 CB 1.382 10 residues pruned to eliminate duplicates Z: 13 21.566 2.156 0.472 0.884 1.000 0.500 CB 1.418 13 residues pruned to eliminate duplicates Z: 60 53.770 2.324 0.728 0.649 0.915 0.542 CB 1.657 60 residues pruned to eliminate duplicates Z: 6 8.537 1.894 0.200 0.740 1.000 0.400 CB 1.355 6 residues pruned to eliminate duplicates Z: 15 18.897 2.150 0.312 0.840 0.929 0.929 CA 1.439 15 residues pruned to eliminate duplicates Z: 13 25.800 2.321 0.516 0.869 1.000 0.750 CB 1.546 13 residues pruned to eliminate duplicates Z: 17 20.934 2.047 0.325 0.886 1.000 0.938 CA 1.392 17 residues pruned to eliminate duplicates Z: 13 13.283 1.825 0.257 0.897 1.000 0.833 CB 1.196 13 residues pruned to eliminate duplicates Z: 8 4.998 1.568 0.337 0.282 0.857 0.857 N 1.344 8 residues pruned to eliminate duplicates Z: 85 43.211 2.326 0.540 0.509 0.857 0.536 CB 1.522 85 residues pruned to eliminate duplicates Z: 14 29.187 2.343 0.496 0.863 1.000 0.692 CA 1.695 14 residues pruned to eliminate duplicates Z: 15 14.514 1.741 0.338 0.848 1.000 0.643 CB 1.235 15 residues pruned to eliminate duplicates Z: 7 6.881 1.910 0.319 0.677 0.833 0.500 CA 1.137 7 residues pruned to eliminate duplicates Z: 7 5.375 1.797 0.335 0.565 0.667 0.667 N 1.289 7 residues pruned to eliminate duplicates Z: 12 22.223 1.946 0.802 0.935 1.000 1.000 CB 1.331 12 residues pruned to eliminate duplicates Z: 38 35.637 2.159 0.642 0.673 0.973 0.703 CB 1.448 39 residues pruned to eliminate duplicates Z: 146 64.750 2.312 0.567 0.534 0.910 0.621 CB 1.577 146 residues pruned to eliminate duplicates Z: 15 9.087 2.192 0.261 0.359 0.857 0.571 CB 1.194 15 residues pruned to eliminate duplicates Z: 12 13.825 1.992 0.399 0.905 0.818 0.273 CB 1.301 12 residues pruned to eliminate duplicates Z: 16 21.046 1.991 0.483 0.885 1.000 0.800 CB 1.329 16 residues pruned to eliminate duplicates Z: 24 18.419 2.098 0.488 0.416 0.913 0.783 CB 1.471 23 residues pruned to eliminate duplicates Z: 11 11.822 1.791 0.117 0.915 1.000 0.800 CB 1.321 11 residues pruned to eliminate duplicates Z: 15 14.123 1.743 0.265 0.886 1.000 0.786 CB 1.235 15 residues pruned to eliminate duplicates Z: 10 8.217 1.907 0.002 0.734 0.889 0.444 CB 1.307 10 residues pruned to eliminate duplicates Z: 8 7.422 1.686 0.269 0.628 1.000 0.429 CB 1.163 8 residues pruned to eliminate duplicates Z: 9 24.413 2.328 0.706 0.856 1.000 1.000 CB 1.603 9 residues pruned to eliminate duplicates Z: 51 39.066 2.102 0.635 0.715 0.940 0.640 CB 1.408 51 residues pruned to eliminate duplicates Z: 15 20.504 2.053 0.490 0.817 1.000 0.571 CA 1.360 15 residues pruned to eliminate duplicates Z: 14 20.665 1.970 0.546 0.894 1.000 0.615 CB 1.350 14 residues pruned to eliminate duplicates Z: 7 5.643 1.919 -0.158 0.836 0.833 0.833 CB 1.280 7 residues pruned to eliminate duplicates Z: 15 37.969 2.230 1.109 0.940 1.000 0.357 CB 1.499 15 residues pruned to eliminate duplicates Z: 13 18.928 2.242 0.571 0.551 0.917 0.667 CB 1.610 13 residues pruned to eliminate duplicates Z: 48 19.577 2.043 0.394 0.479 0.851 0.574 CB 1.204 48 residues pruned to eliminate duplicates Z: 9 6.508 1.893 0.028 0.361 0.875 0.500 CB 1.568 9 residues pruned to eliminate duplicates Z: 14 18.789 2.062 0.513 0.808 0.923 0.615 CB 1.384 14 residues pruned to eliminate duplicates Z: 13 14.705 2.077 0.849 0.896 0.667 0.333 CB 1.188 13 residues pruned to eliminate duplicates Z: 12 17.275 2.250 0.480 0.461 1.000 0.636 CA 1.627 12 residues pruned to eliminate duplicates Z: 13 15.619 1.840 0.421 0.882 1.000 0.833 CB 1.248 13 residues pruned to eliminate duplicates Z: 9 11.081 2.195 0.120 0.636 0.875 0.625 CB 1.603 9 residues pruned to eliminate duplicates Z: 13 16.943 2.142 0.228 0.859 1.000 0.667 CB 1.369 14 residues pruned to eliminate duplicates Z: 13 15.890 1.802 0.499 0.888 1.000 0.833 CB 1.224 13 residues pruned to eliminate duplicates Z: 11 12.197 1.935 0.185 0.848 1.000 0.900 CB 1.247 11 residues pruned to eliminate duplicates Z: 60 31.808 2.067 0.660 0.539 0.881 0.475 CB 1.318 60 residues pruned to eliminate duplicates Z: 10 17.028 1.944 0.442 0.914 1.000 1.000 CA 1.433 10 residues pruned to eliminate duplicates Z: 31 28.403 2.201 0.621 0.585 0.933 0.633 CB 1.436 31 residues pruned to eliminate duplicates Z: 14 27.716 2.232 0.654 0.841 1.000 0.538 CA 1.554 14 residues pruned to eliminate duplicates Z: 16 23.403 2.217 0.292 0.872 1.000 0.933 CA 1.538 16 residues pruned to eliminate duplicates Z: 8 12.419 1.959 0.293 0.878 0.857 0.714 CB 1.569 8 residues pruned to eliminate duplicates Z: 14 19.945 2.050 0.523 0.849 1.000 0.923 CB 1.313 14 residues pruned to eliminate duplicates Z: 14 18.692 2.093 0.308 0.854 1.000 0.692 CA 1.398 14 residues pruned to eliminate duplicates Z: 50 26.927 2.035 0.579 0.537 0.918 0.510 CB 1.258 50 residues pruned to eliminate duplicates Z: 15 24.248 2.086 0.574 0.940 1.000 0.786 CB 1.371 15 residues pruned to eliminate duplicates Z: 27 27.428 2.332 0.576 0.524 0.923 0.462 CB 1.547 27 residues pruned to eliminate duplicates Z: 16 12.490 1.939 -0.058 0.870 0.933 0.933 CA 1.380 16 residues pruned to eliminate duplicates Z: 29 22.216 1.992 0.377 0.720 0.964 0.786 CB 1.301 29 residues pruned to eliminate duplicates Z: 15 15.927 2.214 0.409 0.443 0.857 0.500 CB 1.688 15 residues pruned to eliminate duplicates Z: 22 21.585 2.091 0.512 0.518 0.905 0.810 CB 1.617 22 residues pruned to eliminate duplicates Z: 17 19.939 2.067 0.293 0.850 0.938 0.875 CA 1.474 17 residues pruned to eliminate duplicates Z: 8 14.186 1.895 0.717 0.859 0.857 0.857 N 1.415 8 residues pruned to eliminate duplicates Z: 17 11.197 2.082 0.286 0.445 0.938 0.562 CB 1.180 17 residues pruned to eliminate duplicates Z: 89 47.444 2.265 0.700 0.505 0.886 0.580 CB 1.475 89 residues pruned to eliminate duplicates Z: 14 17.391 1.981 0.261 0.851 1.000 0.769 CB 1.429 14 residues pruned to eliminate duplicates Z: 15 23.594 2.041 0.636 0.928 1.000 0.786 CB 1.323 15 residues pruned to eliminate duplicates Z: 21 18.785 2.097 0.438 0.513 1.000 0.550 CB 1.375 21 residues pruned to eliminate duplicates Z: 14 15.023 2.416 0.426 0.422 0.769 0.462 CA 1.705 14 residues pruned to eliminate duplicates Z: 59 39.022 2.322 0.613 0.522 0.828 0.448 CB 1.618 59 residues pruned to eliminate duplicates Z: 9 7.709 2.202 0.177 0.337 0.875 0.750 CB 1.437 9 residues pruned to eliminate duplicates Z: 13 13.685 2.048 0.229 0.824 0.833 0.583 CB 1.422 13 residues pruned to eliminate duplicates Z: 10 14.794 2.047 0.667 0.490 1.000 0.444 CA 1.460 10 residues pruned to eliminate duplicates Z: 9 14.965 1.920 0.529 0.919 1.000 1.000 CB 1.270 9 residues pruned to eliminate duplicates Z: 9 12.595 1.785 0.315 0.866 1.000 0.875 CA 1.389 8 residues pruned to eliminate duplicates Z: 21 40.194 2.188 0.559 0.949 1.000 1.000 CB 1.817 21 residues pruned to eliminate duplicates Z: 6 5.365 1.691 0.143 0.744 0.800 0.600 CA 1.247 6 residues pruned to eliminate duplicates Z: 48 35.284 2.171 0.403 0.622 0.979 0.617 CB 1.539 48 residues pruned to eliminate duplicates Z: 12 17.700 2.111 0.166 0.900 1.000 0.909 CB 1.549 12 residues pruned to eliminate duplicates Z: 15 11.852 1.708 0.150 0.883 1.000 0.857 CB 1.167 15 residues pruned to eliminate duplicates Z: 60 47.552 2.348 0.495 0.640 0.932 0.678 CB 1.660 60 residues pruned to eliminate duplicates Z: 22 16.603 2.033 0.424 0.539 0.905 0.714 CB 1.332 25 residues pruned to eliminate duplicates Z: 15 11.474 1.757 0.014 0.883 1.000 0.929 CB 1.245 15 residues pruned to eliminate duplicates Z: 14 16.213 1.838 0.342 0.876 1.000 0.846 CB 1.325 14 residues pruned to eliminate duplicates Z: 13 23.749 2.144 0.706 0.907 0.917 0.500 CB 1.454 13 residues pruned to eliminate duplicates Z: 7 19.735 2.143 0.972 0.890 0.833 0.333 CA 1.645 7 residues pruned to eliminate duplicates Z: 6 10.596 2.066 0.128 0.767 1.000 0.800 CB 1.605 7 residues pruned to eliminate duplicates Z: 15 6.097 1.916 0.016 0.283 0.929 0.571 CB 1.150 15 residues pruned to eliminate duplicates Z: 13 14.993 1.879 0.424 0.880 1.000 0.917 CB 1.172 13 residues pruned to eliminate duplicates Z: 7 8.822 1.668 0.582 0.716 1.000 0.333 CA 1.122 7 residues pruned to eliminate duplicates Z: 8 16.661 2.216 0.393 0.771 1.000 0.714 CB 1.606 8 residues pruned to eliminate duplicates Z: 15 11.191 1.759 0.151 0.835 0.929 0.786 CB 1.192 14 residues pruned to eliminate duplicates Z: 14 30.129 2.262 0.639 0.918 1.000 0.846 CA 1.589 14 residues pruned to eliminate duplicates 6 1.782 1.441 0.307 0.476 0.600 0.600 C 0.723 ? Z: 21 9.291 1.924 0.156 0.492 0.750 0.550 CB 1.255 21 residues pruned to eliminate duplicates Z: 13 16.130 1.790 0.682 0.882 1.000 0.500 CB 1.119 13 residues pruned to eliminate duplicates Z: 35 23.402 2.010 0.333 0.696 0.912 0.647 CB 1.374 35 residues pruned to eliminate duplicates Z: 79 49.430 2.275 0.590 0.586 0.910 0.551 CB 1.565 79 residues pruned to eliminate duplicates Z: 21 25.959 2.162 0.752 0.539 0.900 0.650 CB 1.638 21 residues pruned to eliminate duplicates Z: 11 13.146 2.128 0.178 0.754 0.900 0.700 CB 1.469 11 residues pruned to eliminate duplicates 6 1.556 1.608 0.066 0.254 0.600 0.400 CB 0.897 ? Z: 7 9.397 1.949 0.549 0.776 1.000 1.000 CA 0.997 7 residues pruned to eliminate duplicates Z: 6 2.199 1.512 0.038 0.329 0.800 0.600 CA 0.945 Z: 22 37.780 2.144 0.838 0.875 0.952 0.476 CB 1.598 22 residues pruned to eliminate duplicates Z: 31 40.788 2.395 0.757 0.735 0.900 0.600 CB 1.593 31 residues pruned to eliminate duplicates Z: 8 5.166 1.739 0.705 0.750 0.429 0.286 CB 1.229 8 residues pruned to eliminate duplicates Z: 14 20.760 2.197 0.466 0.868 0.846 0.615 CB 1.544 14 residues pruned to eliminate duplicates Z: 21 34.784 2.192 0.663 0.912 1.000 0.750 CB 1.510 21 residues pruned to eliminate duplicates Z: 10 5.180 2.125 0.111 0.245 0.778 0.556 CB 1.262 10 residues pruned to eliminate duplicates Z: 12 27.461 2.357 0.521 0.926 1.000 0.818 CA 1.620 12 residues pruned to eliminate duplicates Z: 13 17.032 2.100 0.531 0.646 0.917 0.750 CB 1.456 13 residues pruned to eliminate duplicates Z: 12 16.423 2.265 0.378 0.533 1.000 0.636 CB 1.536 12 residues pruned to eliminate duplicates Z: 100 41.550 2.243 0.539 0.486 0.838 0.515 CB 1.463 100 residues pruned to eliminate duplicates Z: 13 4.708 1.656 0.203 0.248 0.833 0.500 N 1.094 Z: 22 30.046 2.155 0.479 0.888 0.952 0.810 CB 1.557 22 residues pruned to eliminate duplicates Z: 13 21.788 2.192 0.523 0.858 1.000 0.417 CB 1.387 13 residues pruned to eliminate duplicates Z: 31 36.674 2.314 0.811 0.626 0.933 0.733 CB 1.520 32 residues pruned to eliminate duplicates Z: 40 40.782 2.296 0.785 0.535 0.949 0.538 CB 1.623 40 residues pruned to eliminate duplicates Z: 16 18.801 2.108 0.225 0.852 0.933 0.933 CA 1.490 16 residues pruned to eliminate duplicates Z: 37 21.786 2.000 0.345 0.650 0.917 0.611 CB 1.280 37 residues pruned to eliminate duplicates Z: 37 25.160 2.062 0.437 0.576 0.889 0.556 CA 1.480 37 residues pruned to eliminate duplicates Z: 62 37.219 2.255 0.517 0.514 0.918 0.557 CB 1.497 62 residues pruned to eliminate duplicates Z: 54 35.412 2.215 0.518 0.580 0.868 0.547 CB 1.544 54 residues pruned to eliminate duplicates Z: 9 12.324 2.279 0.303 0.532 0.875 0.625 CB 1.624 9 residues pruned to eliminate duplicates Z: 13 9.457 1.768 0.415 0.838 0.833 0.750 CB 0.978 13 residues pruned to eliminate duplicates Z: 15 19.721 2.177 0.324 0.836 1.000 0.929 CA 1.368 15 residues pruned to eliminate duplicates Z: 11 10.927 2.119 0.430 0.502 0.800 0.700 CB 1.423 11 residues pruned to eliminate duplicates Z: 6 5.594 1.581 0.175 0.801 0.800 0.600 CB 1.293 6 residues pruned to eliminate duplicates Z: 9 10.612 1.813 0.258 0.858 1.000 0.750 CB 1.211 9 residues pruned to eliminate duplicates Z: 21 38.170 2.137 0.913 0.949 0.900 0.600 CB 1.601 21 residues pruned to eliminate duplicates Z: 78 51.750 2.193 0.646 0.613 0.948 0.545 CB 1.548 78 residues pruned to eliminate duplicates Z: 6 3.379 1.331 0.333 0.774 0.800 0.600 O 0.836 6 residues pruned to eliminate duplicates Z: 11 4.016 1.743 -0.050 0.513 0.600 0.300 CB 1.262 11 residues pruned to eliminate duplicates Z: 21 37.525 2.220 0.611 0.920 1.000 0.900 CB 1.653 21 residues pruned to eliminate duplicates Z: 14 19.194 2.102 0.637 0.679 0.923 0.462 CB 1.422 14 residues pruned to eliminate duplicates Z: 15 22.264 2.098 0.476 0.925 1.000 1.000 CB 1.349 15 residues pruned to eliminate duplicates Z: 14 15.970 2.028 0.406 0.581 0.923 0.692 CB 1.557 14 residues pruned to eliminate duplicates Z: 10 10.160 2.122 0.371 0.521 0.778 0.333 CA 1.466 10 residues pruned to eliminate duplicates Z: 11 17.329 1.964 0.627 0.921 1.000 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 13 22.692 2.210 0.614 0.877 0.917 0.583 CA 1.456 13 residues pruned to eliminate duplicates Z: 8 14.341 1.858 0.495 0.869 1.000 0.714 CB 1.425 7 residues pruned to eliminate duplicates Z: 16 23.417 2.185 0.301 0.926 1.000 0.933 CB 1.492 16 residues pruned to eliminate duplicates Z: 14 10.355 1.846 0.310 0.554 0.846 0.538 CB 1.332 14 residues pruned to eliminate duplicates Z: 6 6.384 1.848 0.539 0.654 0.800 0.600 CA 1.088 6 residues pruned to eliminate duplicates Z: 6 7.403 1.712 0.684 0.716 0.800 0.600 CB 1.180 6 residues pruned to eliminate duplicates Z: 12 15.915 1.721 0.741 0.875 0.909 0.545 CB 1.281 12 residues pruned to eliminate duplicates Z: 15 9.822 2.082 0.354 0.247 0.857 0.643 CA 1.455 15 residues pruned to eliminate duplicates Z: 7 5.740 1.991 0.001 0.532 0.833 0.833 CA 1.368 7 residues pruned to eliminate duplicates Z: 26 25.912 2.262 0.644 0.583 0.920 0.640 CB 1.399 26 residues pruned to eliminate duplicates Z: 87 45.372 2.330 0.611 0.490 0.849 0.558 CB 1.551 87 residues pruned to eliminate duplicates Z: 26 27.723 2.086 0.329 0.771 1.000 0.840 CA 1.574 26 residues pruned to eliminate duplicates Z: 9 13.236 2.040 0.484 0.586 1.000 0.750 CB 1.424 9 residues pruned to eliminate duplicates Z: 13 20.938 2.100 0.385 0.904 1.000 0.917 CB 1.480 13 residues pruned to eliminate duplicates Z: 6 2.263 1.437 0.432 0.401 0.600 0.400 CB 0.910 Z: 84 47.406 2.224 0.674 0.540 0.916 0.470 CB 1.469 84 residues pruned to eliminate duplicates Z: 9 10.192 1.721 0.155 0.878 0.875 0.750 O 1.504 9 residues pruned to eliminate duplicates Z: 8 8.382 1.880 0.115 0.650 0.857 0.571 CA 1.534 8 residues pruned to eliminate duplicates Z: 13 10.810 1.847 0.666 0.533 0.833 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 19 19.627 2.271 0.395 0.513 0.944 0.444 CB 1.526 19 residues pruned to eliminate duplicates Z: 7 8.086 1.888 0.177 0.817 0.833 0.667 CA 1.354 7 residues pruned to eliminate duplicates Z: 20 18.715 2.025 0.490 0.601 0.947 0.684 CB 1.364 20 residues pruned to eliminate duplicates Z: 14 15.276 1.746 0.455 0.911 1.000 0.769 CB 1.182 14 residues pruned to eliminate duplicates Z: 27 18.141 2.220 0.400 0.408 0.923 0.462 CB 1.366 27 residues pruned to eliminate duplicates Z: 8 13.650 1.905 0.460 0.898 1.000 1.000 CB 1.328 8 residues pruned to eliminate duplicates Z: 8 8.000 2.141 0.146 0.771 0.714 0.571 CB 1.358 8 residues pruned to eliminate duplicates Z: 7 4.380 1.507 0.317 0.411 1.000 0.500 CB 0.988 7 residues pruned to eliminate duplicates Z: 41 32.689 2.221 0.808 0.480 0.875 0.500 CB 1.502 41 residues pruned to eliminate duplicates Z: 21 25.648 2.133 0.669 0.550 0.950 0.750 CA 1.615 21 residues pruned to eliminate duplicates Z: 65 31.315 2.030 0.655 0.524 0.891 0.422 CB 1.277 65 residues pruned to eliminate duplicates Z: 79 44.109 2.230 0.705 0.473 0.923 0.474 CB 1.463 79 residues pruned to eliminate duplicates Z: 15 10.495 2.016 0.236 0.391 0.857 0.571 CB 1.475 15 residues pruned to eliminate duplicates Z: 41 21.016 2.186 0.429 0.446 0.800 0.575 CB 1.406 41 residues pruned to eliminate duplicates Z: 8 3.536 1.668 0.658 0.420 0.714 0.429 CB 0.735 8 residues pruned to eliminate duplicates Z: 40 19.623 2.044 0.503 0.484 0.846 0.513 CB 1.228 40 residues pruned to eliminate duplicates Z: 12 17.995 1.935 0.397 0.932 1.000 0.909 CB 1.402 12 residues pruned to eliminate duplicates Z: 10 14.297 2.048 0.550 0.719 1.000 0.889 CB 1.231 10 residues pruned to eliminate duplicates Z: 41 34.277 2.229 0.519 0.645 0.925 0.525 CB 1.511 41 residues pruned to eliminate duplicates Z: 54 34.919 2.126 0.436 0.612 0.906 0.660 CB 1.560 54 residues pruned to eliminate duplicates Z: 65 32.148 2.027 0.477 0.576 0.922 0.641 CB 1.353 65 residues pruned to eliminate duplicates Z: 26 32.782 2.176 0.728 0.623 0.960 0.600 CB 1.618 26 residues pruned to eliminate duplicates Z: 10 12.172 1.695 0.563 0.775 0.889 0.444 CB 1.351 10 residues pruned to eliminate duplicates Z: 18 17.018 1.886 0.523 0.534 0.941 0.765 CB 1.477 17 residues pruned to eliminate duplicates Z: 12 14.983 2.011 0.154 0.914 1.000 1.000 CB 1.377 12 residues pruned to eliminate duplicates Z: 9 11.048 1.773 0.543 0.827 0.875 0.750 CB 1.229 9 residues pruned to eliminate duplicates Z: 13 7.846 1.836 0.132 0.552 0.917 0.333 CB 1.130 13 residues pruned to eliminate duplicates Z: 12 15.257 1.905 0.459 0.911 1.000 0.636 CB 1.174 12 residues pruned to eliminate duplicates Z: 11 8.253 1.519 0.637 0.831 0.900 0.400 CB 0.876 11 residues pruned to eliminate duplicates Z: 14 23.188 2.304 0.395 0.897 1.000 1.000 CB 1.432 14 residues pruned to eliminate duplicates Z: 6 5.257 1.519 0.427 0.824 1.000 0.800 CB 0.819 6 residues pruned to eliminate duplicates Z: 14 30.430 2.303 0.718 0.842 1.000 0.923 CA 1.590 14 residues pruned to eliminate duplicates Z: 6 9.657 1.767 0.973 0.634 1.000 0.400 CB 1.093 6 residues pruned to eliminate duplicates Z: 33 23.738 1.968 0.418 0.684 1.000 0.594 CB 1.271 33 residues pruned to eliminate duplicates Z: 17 15.764 2.066 0.456 0.482 0.875 0.625 CB 1.526 17 residues pruned to eliminate duplicates Z: 9 9.081 1.895 0.394 0.529 0.875 0.875 CA 1.350 9 residues pruned to eliminate duplicates Z: 20 13.060 1.945 0.362 0.481 0.947 0.579 CB 1.218 20 residues pruned to eliminate duplicates Z: 32 42.095 2.190 0.883 0.778 0.935 0.452 CB 1.534 32 residues pruned to eliminate duplicates Z: 7 2.179 1.420 -0.101 0.534 0.833 0.667 CB 0.809 Z: 10 14.247 2.236 0.270 0.708 0.889 0.778 CB 1.558 10 residues pruned to eliminate duplicates Z: 64 32.601 2.225 0.457 0.437 0.873 0.635 CB 1.549 64 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 3.509 1.668 0.250 0.340 1.000 0.667 CB 0.818 7 residues pruned to eliminate duplicates Z: 14 10.084 1.837 0.621 0.458 0.846 0.308 CB 1.159 21 residues pruned to eliminate duplicates Z: 63 31.235 2.106 0.300 0.635 0.887 0.645 CB 1.440 63 residues pruned to eliminate duplicates Z: 14 9.835 1.850 0.468 0.558 0.846 0.462 CB 1.121 14 residues pruned to eliminate duplicates Z: 48 23.467 2.068 0.510 0.399 0.915 0.489 CB 1.332 48 residues pruned to eliminate duplicates Z: 16 10.008 1.896 0.448 0.486 0.800 0.333 CB 1.194 16 residues pruned to eliminate duplicates Z: 31 30.421 2.228 0.454 0.704 0.933 0.700 CB 1.526 31 residues pruned to eliminate duplicates Z: 52 35.203 2.110 0.452 0.689 0.922 0.706 CB 1.469 52 residues pruned to eliminate duplicates Z: 38 24.062 2.110 0.330 0.623 0.892 0.622 CB 1.407 38 residues pruned to eliminate duplicates Z: 52 28.694 2.087 0.538 0.537 0.902 0.588 CB 1.338 52 residues pruned to eliminate duplicates Z: 17 20.296 2.026 0.491 0.765 1.000 0.500 CB 1.328 17 residues pruned to eliminate duplicates Z: 41 28.049 2.196 0.474 0.588 0.875 0.550 CB 1.440 41 residues pruned to eliminate duplicates Z: 27 18.733 2.008 0.481 0.597 0.885 0.385 CB 1.273 27 residues pruned to eliminate duplicates Z: 72 36.643 2.128 0.476 0.618 0.845 0.606 CB 1.465 72 residues pruned to eliminate duplicates Z: 14 20.230 2.118 0.607 0.793 0.923 0.462 CB 1.381 14 residues pruned to eliminate duplicates Z: 64 34.396 2.124 0.540 0.560 0.905 0.540 CB 1.382 64 residues pruned to eliminate duplicates Z: 34 32.846 2.154 0.731 0.626 0.939 0.576 CB 1.450 34 residues pruned to eliminate duplicates Z: 44 30.528 2.167 0.517 0.625 0.884 0.535 CB 1.424 44 residues pruned to eliminate duplicates Z: 31 30.281 2.236 0.499 0.666 0.967 0.433 CB 1.464 31 residues pruned to eliminate duplicates Z: 61 38.698 2.093 0.458 0.665 0.950 0.683 CB 1.479 61 residues pruned to eliminate duplicates Z: 36 25.246 2.022 0.582 0.651 0.857 0.600 CB 1.353 36 residues pruned to eliminate duplicates Z: 44 29.343 2.144 0.507 0.624 0.884 0.488 CB 1.395 44 residues pruned to eliminate duplicates Z: 35 33.207 2.166 0.702 0.629 0.941 0.618 CB 1.455 35 residues pruned to eliminate duplicates Z: 33 35.854 2.188 0.879 0.681 0.906 0.625 CB 1.440 33 residues pruned to eliminate duplicates Z: 27 33.156 2.186 0.714 0.749 0.962 0.538 CB 1.444 27 residues pruned to eliminate duplicates Z: 63 37.047 2.131 0.665 0.554 0.919 0.468 CB 1.368 63 residues pruned to eliminate duplicates Z: 35 34.109 2.191 0.710 0.648 0.912 0.588 CB 1.492 35 residues pruned to eliminate duplicates Z: 95 42.724 2.079 0.695 0.551 0.872 0.500 CB 1.363 96 residues pruned to eliminate duplicates Z: 8 7.683 1.857 0.623 0.463 0.714 0.286 CB 1.400 8 residues pruned to eliminate duplicates Z: 31 23.558 2.025 0.409 0.554 0.967 0.533 CB 1.480 31 residues pruned to eliminate duplicates Z: 7 7.931 1.801 0.558 0.481 1.000 0.500 CA 1.177 7 residues pruned to eliminate duplicates Z: 69 32.915 2.055 0.494 0.603 0.853 0.544 CB 1.382 69 residues pruned to eliminate duplicates Z: 71 39.335 2.126 0.568 0.585 0.900 0.543 CB 1.443 71 residues pruned to eliminate duplicates Z: 65 35.273 2.055 0.557 0.625 0.938 0.562 CB 1.307 65 residues pruned to eliminate duplicates Z: 30 21.709 2.028 0.256 0.629 0.931 0.621 CB 1.505 30 residues pruned to eliminate duplicates Z: 11 14.601 1.974 0.192 0.904 1.000 0.800 CA 1.397 11 residues pruned to eliminate duplicates Z: 38 29.424 2.102 0.454 0.559 1.000 0.649 CB 1.495 38 residues pruned to eliminate duplicates Z: 64 40.105 2.132 0.518 0.626 0.952 0.635 CB 1.456 64 residues pruned to eliminate duplicates Z: 28 25.081 2.044 0.379 0.654 1.000 0.667 CB 1.484 28 residues pruned to eliminate duplicates Z: 15 18.572 1.972 0.339 0.891 1.000 0.857 CB 1.351 15 residues pruned to eliminate duplicates Z: 72 43.285 2.101 0.595 0.620 0.944 0.577 CB 1.451 72 residues pruned to eliminate duplicates Z: 96 42.101 2.073 0.656 0.531 0.895 0.516 CB 1.364 96 residues pruned to eliminate duplicates Z: 14 21.680 2.048 0.532 0.897 1.000 0.692 CB 1.371 14 residues pruned to eliminate duplicates Z: 38 32.914 2.123 0.583 0.562 1.000 0.514 CB 1.516 39 residues pruned to eliminate duplicates Z: 14 22.686 2.074 0.622 0.867 1.000 0.538 CB 1.368 14 residues pruned to eliminate duplicates Z: 32 30.376 2.071 0.653 0.594 1.000 0.419 CB 1.456 31 residues pruned to eliminate duplicates Z: 16 21.420 1.933 0.644 0.889 1.000 0.667 CB 1.253 16 residues pruned to eliminate duplicates Z: 38 30.178 2.148 0.514 0.513 0.973 0.514 CB 1.548 38 residues pruned to eliminate duplicates Z: 58 45.730 2.202 0.701 0.625 0.947 0.509 CB 1.518 58 residues pruned to eliminate duplicates Z: 21 21.413 2.027 0.744 0.560 0.900 0.400 CB 1.420 21 residues pruned to eliminate duplicates Z: 7 12.040 2.250 0.547 0.306 1.000 0.667 CA 1.751 7 residues pruned to eliminate duplicates Z: 40 22.504 2.045 0.588 0.484 0.846 0.436 CB 1.333 40 residues pruned to eliminate duplicates Z: 60 37.449 2.112 0.597 0.574 0.898 0.508 CB 1.499 60 residues pruned to eliminate duplicates Z: 34 24.094 2.018 0.556 0.571 0.909 0.485 CB 1.371 34 residues pruned to eliminate duplicates Z: 59 38.274 2.140 0.539 0.627 0.914 0.552 CB 1.482 59 residues pruned to eliminate duplicates Z: 25 15.435 2.054 0.392 0.368 0.917 0.458 CB 1.385 25 residues pruned to eliminate duplicates Z: 26 16.758 2.018 0.510 0.425 0.920 0.560 CB 1.293 26 residues pruned to eliminate duplicates Z: 23 17.944 2.160 0.497 0.428 0.864 0.591 CB 1.476 23 residues pruned to eliminate duplicates Z: 26 16.690 2.008 0.471 0.436 0.920 0.600 CB 1.313 23 residues pruned to eliminate duplicates Z: 10 13.503 1.940 0.351 0.840 1.000 0.778 CB 1.282 10 residues pruned to eliminate duplicates Z: 23 16.671 2.118 0.415 0.410 0.864 0.591 CB 1.510 23 residues pruned to eliminate duplicates Z: 23 17.310 2.140 0.522 0.420 0.909 0.727 CB 1.354 23 residues pruned to eliminate duplicates Z: 24 16.652 2.091 0.523 0.378 0.913 0.478 CB 1.359 24 residues pruned to eliminate duplicates Z: 6 3.380 1.636 0.464 0.476 0.800 0.400 CA 0.809 6 residues pruned to eliminate duplicates Z: 15 15.109 2.181 0.441 0.557 0.929 0.643 CB 1.309 15 residues pruned to eliminate duplicates Z: 14 14.637 2.160 0.549 0.517 1.000 0.538 CB 1.192 14 residues pruned to eliminate duplicates Z: 48 32.720 2.152 0.622 0.543 0.936 0.596 CB 1.400 51 residues pruned to eliminate duplicates Z: 6 6.495 1.682 0.476 0.286 1.000 0.200 N 1.490 6 residues pruned to eliminate duplicates Z: 15 13.965 1.844 0.235 0.834 0.929 0.429 CA 1.323 15 residues pruned to eliminate duplicates Z: 36 25.040 2.056 0.369 0.666 0.943 0.571 CB 1.367 36 residues pruned to eliminate duplicates Z: 15 16.895 1.932 0.401 0.763 1.000 0.714 CB 1.321 15 residues pruned to eliminate duplicates Z: 37 25.698 2.000 0.434 0.669 0.944 0.639 CB 1.353 37 residues pruned to eliminate duplicates Z: 23 19.367 1.950 0.384 0.693 1.000 0.591 CB 1.282 23 residues pruned to eliminate duplicates Z: 37 20.884 1.990 0.392 0.647 0.861 0.583 CB 1.272 37 residues pruned to eliminate duplicates Z: 23 18.610 1.957 0.410 0.721 0.955 0.727 CB 1.234 23 residues pruned to eliminate duplicates Z: 35 24.191 2.067 0.352 0.688 0.912 0.559 CB 1.370 35 residues pruned to eliminate duplicates Z: 22 21.501 2.019 0.404 0.740 1.000 0.714 CB 1.334 22 residues pruned to eliminate duplicates Z: 35 29.140 2.076 0.405 0.677 1.000 0.618 CB 1.456 35 residues pruned to eliminate duplicates Z: 37 22.044 2.016 0.379 0.646 0.889 0.583 CB 1.297 37 residues pruned to eliminate duplicates Z: 36 26.152 2.070 0.416 0.672 0.943 0.629 CB 1.364 36 residues pruned to eliminate duplicates Z: 36 30.311 2.066 0.487 0.671 1.000 0.714 CB 1.424 36 residues pruned to eliminate duplicates Z: 12 14.830 1.865 0.398 0.833 1.000 0.636 CB 1.286 12 residues pruned to eliminate duplicates Z: 37 22.847 2.010 0.402 0.647 0.917 0.528 CB 1.285 37 residues pruned to eliminate duplicates Z: 36 25.947 2.045 0.585 0.681 0.886 0.571 CB 1.293 36 residues pruned to eliminate duplicates Z: 37 25.770 2.007 0.530 0.636 0.917 0.611 CB 1.343 37 residues pruned to eliminate duplicates Z: 36 28.223 2.051 0.522 0.668 0.971 0.514 CB 1.347 36 residues pruned to eliminate duplicates Z: 44 22.157 1.979 0.508 0.572 0.860 0.465 CB 1.228 44 residues pruned to eliminate duplicates Z: 37 21.545 2.010 0.383 0.656 0.889 0.694 CB 1.258 37 residues pruned to eliminate duplicates Z: 36 26.060 2.000 0.523 0.651 0.914 0.486 CB 1.374 36 residues pruned to eliminate duplicates Z: 35 28.014 2.025 0.546 0.684 0.941 0.559 CB 1.376 34 residues pruned to eliminate duplicates Z: 15 15.622 1.851 0.715 0.654 0.929 0.643 CB 1.227 15 residues pruned to eliminate duplicates Z: 36 26.971 2.018 0.419 0.666 0.971 0.629 CB 1.405 36 residues pruned to eliminate duplicates Z: 37 24.697 2.023 0.461 0.639 0.889 0.583 CB 1.376 37 residues pruned to eliminate duplicates Z: 37 22.438 2.037 0.366 0.634 0.889 0.583 CB 1.333 37 residues pruned to eliminate duplicates Z: 34 26.785 2.098 0.459 0.663 0.879 0.636 CB 1.491 34 residues pruned to eliminate duplicates Z: 36 27.012 2.034 0.419 0.657 0.971 0.657 CB 1.408 36 residues pruned to eliminate duplicates Z: 37 30.354 2.007 0.533 0.644 1.000 0.583 CB 1.438 37 residues pruned to eliminate duplicates Z: 6 13.215 2.171 0.630 0.658 0.800 0.200 N 1.803 6 residues pruned to eliminate duplicates Z: 37 23.859 2.025 0.511 0.628 0.861 0.611 CB 1.338 36 residues pruned to eliminate duplicates Z: 6 7.413 1.819 0.390 0.618 1.000 0.200 CB 1.173 6 residues pruned to eliminate duplicates Z: 36 34.714 2.202 0.537 0.701 0.943 0.743 CB 1.532 36 residues pruned to eliminate duplicates Z: 14 20.554 2.084 0.476 0.842 1.000 0.692 CB 1.381 15 residues pruned to eliminate duplicates Z: 14 21.266 2.075 0.478 0.841 1.000 0.769 CB 1.434 14 residues pruned to eliminate duplicates Z: 37 36.311 2.182 0.696 0.683 0.917 0.611 CB 1.508 37 residues pruned to eliminate duplicates Z: 38 32.713 2.142 0.598 0.656 0.919 0.568 CB 1.479 38 residues pruned to eliminate duplicates Z: 38 34.652 2.155 0.640 0.656 0.946 0.649 CB 1.474 38 residues pruned to eliminate duplicates Z: 38 33.977 2.167 0.615 0.662 0.919 0.703 CB 1.495 38 residues pruned to eliminate duplicates Z: 38 32.168 2.150 0.535 0.672 0.946 0.622 CB 1.445 38 residues pruned to eliminate duplicates Z: 36 37.881 2.199 0.707 0.707 0.943 0.743 CB 1.499 36 residues pruned to eliminate duplicates Z: 13 24.799 2.220 0.608 0.872 1.000 0.833 CB 1.462 13 residues pruned to eliminate duplicates Z: 38 32.311 2.148 0.563 0.668 0.946 0.595 CB 1.431 38 residues pruned to eliminate duplicates Z: 37 35.110 2.169 0.595 0.681 0.972 0.639 CB 1.473 37 residues pruned to eliminate duplicates Z: 38 32.236 2.154 0.643 0.669 0.892 0.676 CB 1.436 38 residues pruned to eliminate duplicates Z: 36 36.231 2.194 0.589 0.708 0.971 0.686 CB 1.497 36 residues pruned to eliminate duplicates Z: 36 31.693 2.174 0.560 0.698 0.886 0.657 CB 1.489 36 residues pruned to eliminate duplicates Z: 36 37.383 2.210 0.594 0.705 0.971 0.657 CB 1.532 36 residues pruned to eliminate duplicates Z: 12 18.206 1.955 0.594 0.865 1.000 0.909 CB 1.290 12 residues pruned to eliminate duplicates Z: 36 36.157 2.203 0.615 0.706 0.943 0.629 CB 1.512 36 residues pruned to eliminate duplicates Z: 35 39.207 2.223 0.697 0.733 0.941 0.735 CB 1.537 35 residues pruned to eliminate duplicates Z: 36 35.103 2.177 0.552 0.709 0.971 0.714 CB 1.496 36 residues pruned to eliminate duplicates Z: 36 37.460 2.188 0.646 0.705 0.971 0.629 CB 1.502 36 residues pruned to eliminate duplicates Z: 37 34.988 2.156 0.610 0.680 1.000 0.639 CB 1.424 37 residues pruned to eliminate duplicates Z: 36 31.979 2.167 0.638 0.677 0.914 0.629 CB 1.415 36 residues pruned to eliminate duplicates Z: 39 28.548 2.135 0.534 0.641 0.921 0.553 CB 1.346 39 residues pruned to eliminate duplicates Z: 37 32.563 2.175 0.528 0.666 0.972 0.583 CB 1.440 37 residues pruned to eliminate duplicates Z: 37 32.469 2.130 0.614 0.667 0.944 0.694 CB 1.428 37 residues pruned to eliminate duplicates Z: 39 35.883 2.137 0.695 0.655 0.947 0.684 CB 1.468 39 residues pruned to eliminate duplicates Z: 7 15.209 2.225 0.836 0.624 0.833 0.500 CB 1.622 7 residues pruned to eliminate duplicates Z: 38 33.906 2.162 0.607 0.663 0.973 0.649 CB 1.418 38 residues pruned to eliminate duplicates Z: 36 32.639 2.168 0.483 0.689 0.971 0.686 CB 1.485 36 residues pruned to eliminate duplicates Z: 36 39.212 2.220 0.660 0.704 0.971 0.743 CB 1.538 36 residues pruned to eliminate duplicates Z: 9 10.395 1.982 0.675 0.545 0.875 0.625 CB 1.211 9 residues pruned to eliminate duplicates Z: 38 31.726 2.153 0.565 0.672 0.946 0.649 CB 1.396 38 residues pruned to eliminate duplicates Z: 36 36.192 2.210 0.622 0.697 0.943 0.714 CB 1.513 36 residues pruned to eliminate duplicates Z: 66 42.704 2.269 0.561 0.568 0.908 0.615 CB 1.542 66 residues pruned to eliminate duplicates Z: 66 45.126 2.274 0.504 0.571 0.938 0.523 CB 1.630 64 residues pruned to eliminate duplicates Z: 6 6.263 1.946 0.357 0.408 0.800 0.600 N 1.460 6 residues pruned to eliminate duplicates Z: 67 39.661 2.214 0.469 0.540 0.939 0.682 CB 1.537 67 residues pruned to eliminate duplicates Z: 27 24.444 2.222 0.671 0.440 0.962 0.462 CB 1.429 27 residues pruned to eliminate duplicates Z: 27 34.445 2.366 0.624 0.664 0.923 0.654 CB 1.636 27 residues pruned to eliminate duplicates Z: 61 40.977 2.284 0.464 0.573 0.933 0.650 CB 1.580 61 residues pruned to eliminate duplicates Z: 60 35.364 2.232 0.405 0.539 0.915 0.644 CB 1.544 60 residues pruned to eliminate duplicates Z: 25 20.225 2.186 0.659 0.482 0.875 0.542 CB 1.325 25 residues pruned to eliminate duplicates Z: 55 40.500 2.309 0.628 0.571 0.889 0.593 CB 1.540 55 residues pruned to eliminate duplicates Z: 51 37.717 2.289 0.592 0.568 0.860 0.680 CB 1.594 51 residues pruned to eliminate duplicates Z: 63 47.058 2.320 0.624 0.567 0.919 0.613 CB 1.617 65 residues pruned to eliminate duplicates Z: 14 29.105 2.379 0.801 0.855 0.923 0.769 CB 1.507 14 residues pruned to eliminate duplicates Z: 56 44.998 2.272 0.655 0.589 0.927 0.745 CB 1.599 56 residues pruned to eliminate duplicates Z: 63 44.297 2.236 0.648 0.532 0.919 0.613 CB 1.609 63 residues pruned to eliminate duplicates Z: 64 48.329 2.323 0.658 0.575 0.937 0.619 CB 1.570 64 residues pruned to eliminate duplicates Z: 24 21.228 2.272 0.578 0.536 0.870 0.478 CB 1.371 24 residues pruned to eliminate duplicates Z: 55 37.950 2.268 0.543 0.548 0.889 0.611 CB 1.584 55 residues pruned to eliminate duplicates Z: 34 25.638 2.152 0.578 0.482 0.879 0.606 CB 1.523 34 residues pruned to eliminate duplicates Z: 57 32.485 2.254 0.356 0.517 0.911 0.661 CB 1.533 57 residues pruned to eliminate duplicates Z: 45 37.956 2.343 0.640 0.579 0.864 0.636 CB 1.597 45 residues pruned to eliminate duplicates Z: 27 24.572 2.247 0.538 0.568 0.846 0.577 CB 1.543 27 residues pruned to eliminate duplicates Z: 66 46.386 2.300 0.670 0.559 0.877 0.446 CB 1.613 66 residues pruned to eliminate duplicates Z: 36 38.235 2.339 0.582 0.563 0.971 0.543 CA 1.691 36 residues pruned to eliminate duplicates Z: 37 38.515 2.326 0.603 0.567 0.944 0.556 CA 1.708 37 residues pruned to eliminate duplicates Z: 51 43.041 2.357 0.590 0.592 0.920 0.660 CB 1.617 51 residues pruned to eliminate duplicates Z: 66 41.103 2.273 0.544 0.501 0.908 0.585 CB 1.600 66 residues pruned to eliminate duplicates Z: 66 44.273 2.269 0.637 0.523 0.938 0.538 CB 1.540 66 residues pruned to eliminate duplicates Z: 40 36.074 2.261 0.774 0.508 0.846 0.487 CB 1.689 40 residues pruned to eliminate duplicates Z: 54 43.690 2.350 0.634 0.565 0.906 0.585 CB 1.620 54 residues pruned to eliminate duplicates Z: 40 36.156 2.182 0.670 0.518 0.949 0.385 CA 1.646 40 residues pruned to eliminate duplicates Z: 55 42.191 2.327 0.646 0.580 0.926 0.500 CB 1.499 55 residues pruned to eliminate duplicates Z: 40 31.389 2.288 0.498 0.491 0.923 0.538 CB 1.603 40 residues pruned to eliminate duplicates Z: 55 47.803 2.326 0.739 0.563 0.944 0.630 CB 1.602 55 residues pruned to eliminate duplicates Z: 56 41.640 2.246 0.719 0.581 0.891 0.436 CB 1.510 56 residues pruned to eliminate duplicates Z: 36 35.859 2.295 0.495 0.596 0.943 0.686 CA 1.710 36 residues pruned to eliminate duplicates Z: 66 40.322 2.223 0.703 0.525 0.877 0.569 CB 1.470 66 residues pruned to eliminate duplicates Z: 62 43.396 2.276 0.721 0.535 0.885 0.541 CB 1.549 62 residues pruned to eliminate duplicates Z: 55 41.630 2.290 0.641 0.551 0.926 0.537 CB 1.548 55 residues pruned to eliminate duplicates Z: 63 50.321 2.308 0.704 0.567 0.952 0.548 CB 1.601 63 residues pruned to eliminate duplicates Z: 54 49.383 2.341 0.825 0.589 0.925 0.585 CB 1.577 54 residues pruned to eliminate duplicates Z: 64 47.290 2.284 0.677 0.544 0.952 0.635 CB 1.564 64 residues pruned to eliminate duplicates Z: 59 48.726 2.323 0.671 0.560 0.948 0.569 CB 1.639 59 residues pruned to eliminate duplicates Z: 37 38.246 2.286 0.715 0.531 0.944 0.556 CA 1.669 37 residues pruned to eliminate duplicates Z: 65 45.779 2.255 0.676 0.546 0.906 0.547 CB 1.597 65 residues pruned to eliminate duplicates Z: 65 46.465 2.297 0.648 0.561 0.906 0.594 CB 1.596 65 residues pruned to eliminate duplicates Z: 85 46.848 2.206 0.469 0.571 0.940 0.583 CB 1.566 85 residues pruned to eliminate duplicates Z: 58 42.906 2.289 0.634 0.550 0.877 0.561 CB 1.650 58 residues pruned to eliminate duplicates Z: 60 44.795 2.264 0.587 0.558 0.932 0.644 CB 1.647 60 residues pruned to eliminate duplicates Z: 58 41.075 2.329 0.505 0.561 0.895 0.579 CB 1.635 58 residues pruned to eliminate duplicates Z: 16 10.879 2.027 0.437 0.345 0.867 0.467 CB 1.318 16 residues pruned to eliminate duplicates Z: 65 47.131 2.306 0.546 0.568 0.969 0.625 CB 1.598 65 residues pruned to eliminate duplicates Z: 39 36.977 2.292 0.589 0.556 0.947 0.605 CA 1.647 39 residues pruned to eliminate duplicates Z: 57 47.031 2.291 0.851 0.563 0.911 0.464 CB 1.531 57 residues pruned to eliminate duplicates Z: 55 50.957 2.319 0.792 0.582 0.981 0.519 CB 1.572 55 residues pruned to eliminate duplicates Z: 56 46.713 2.335 0.679 0.549 0.964 0.491 CB 1.589 56 residues pruned to eliminate duplicates Z: 60 49.311 2.328 0.726 0.546 0.915 0.559 CB 1.668 60 residues pruned to eliminate duplicates Z: 61 48.927 2.317 0.748 0.558 0.900 0.550 CB 1.639 61 residues pruned to eliminate duplicates Z: 54 45.256 2.345 0.605 0.588 0.943 0.642 CB 1.608 54 residues pruned to eliminate duplicates Z: 12 12.355 2.059 0.440 0.475 1.000 0.636 CA 1.289 12 residues pruned to eliminate duplicates Z: 18 24.974 2.318 0.675 0.598 0.941 0.529 CB 1.509 18 residues pruned to eliminate duplicates 6 1.944 1.876 0.345 0.100 0.600 0.400 CA 0.957 ? Z: 8 19.109 2.215 0.615 0.755 1.000 0.714 CA 1.608 8 residues pruned to eliminate duplicates Z: 20 14.374 2.058 0.426 0.459 0.895 0.368 CB 1.310 20 residues pruned to eliminate duplicates Z: 11 13.625 2.211 0.473 0.557 0.900 0.500 CB 1.390 11 residues pruned to eliminate duplicates Z: 20 14.884 2.097 0.361 0.452 0.895 0.211 CB 1.405 20 residues pruned to eliminate duplicates Z: 20 18.312 2.243 0.645 0.462 0.842 0.526 CB 1.406 20 residues pruned to eliminate duplicates Z: 19 17.377 2.237 0.484 0.533 0.889 0.611 CB 1.343 19 residues pruned to eliminate duplicates Z: 19 22.300 2.275 0.601 0.505 0.944 0.611 CB 1.521 19 residues pruned to eliminate duplicates Z: 16 15.274 1.886 0.449 0.752 0.933 0.800 CB 1.235 16 residues pruned to eliminate duplicates Z: 16 14.611 1.860 0.340 0.723 1.000 0.667 CB 1.238 17 residues pruned to eliminate duplicates Z: 15 15.624 1.774 0.353 0.849 1.000 0.643 CB 1.290 15 residues pruned to eliminate duplicates Z: 17 13.294 1.870 0.483 0.711 0.875 0.750 CB 1.131 17 residues pruned to eliminate duplicates Z: 14 18.544 1.980 0.627 0.854 1.000 0.692 CB 1.179 15 residues pruned to eliminate duplicates Z: 14 12.929 1.837 0.401 0.867 0.923 0.538 CB 1.104 14 residues pruned to eliminate duplicates Z: 16 14.441 1.922 0.503 0.717 0.867 0.400 CB 1.224 16 residues pruned to eliminate duplicates Z: 16 13.806 1.875 0.463 0.731 0.867 0.533 CB 1.218 16 residues pruned to eliminate duplicates Z: 18 15.954 1.792 0.811 0.659 0.941 0.294 CB 1.093 18 residues pruned to eliminate duplicates Z: 16 14.888 1.865 0.545 0.757 0.867 0.400 CB 1.224 16 residues pruned to eliminate duplicates Z: 16 14.121 1.876 0.460 0.740 0.933 0.467 CB 1.150 16 residues pruned to eliminate duplicates Z: 22 12.647 2.004 0.508 0.405 0.810 0.476 CB 1.246 22 residues pruned to eliminate duplicates Z: 16 11.989 2.177 0.502 0.441 0.800 0.467 CB 1.259 16 residues pruned to eliminate duplicates Z: 19 11.793 2.061 0.351 0.408 0.889 0.444 CB 1.237 19 residues pruned to eliminate duplicates Z: 21 12.683 1.980 0.449 0.369 0.900 0.450 CB 1.264 21 residues pruned to eliminate duplicates Z: 17 12.494 2.113 0.360 0.443 0.938 0.438 CB 1.230 17 residues pruned to eliminate duplicates Z: 19 12.004 2.043 0.435 0.376 0.944 0.444 CB 1.167 19 residues pruned to eliminate duplicates Z: 15 8.925 2.064 0.311 0.454 0.714 0.429 CB 1.293 15 residues pruned to eliminate duplicates Z: 20 12.819 1.994 0.559 0.399 0.895 0.474 CB 1.177 20 residues pruned to eliminate duplicates Z: 19 13.900 2.061 0.450 0.448 0.944 0.611 CB 1.224 19 residues pruned to eliminate duplicates Z: 32 15.512 2.009 0.387 0.424 0.871 0.452 CB 1.243 32 residues pruned to eliminate duplicates Z: 18 12.316 2.065 0.333 0.432 0.941 0.412 CB 1.236 18 residues pruned to eliminate duplicates Z: 18 14.633 2.146 0.481 0.389 0.941 0.471 CB 1.335 18 residues pruned to eliminate duplicates Z: 22 10.398 1.897 0.336 0.392 0.857 0.381 CB 1.172 22 residues pruned to eliminate duplicates Z: 20 12.829 2.055 0.490 0.400 0.895 0.368 CB 1.194 20 residues pruned to eliminate duplicates Z: 82 46.302 2.225 0.731 0.491 0.914 0.519 CB 1.476 82 residues pruned to eliminate duplicates Z: 75 41.620 2.242 0.624 0.505 0.892 0.486 CB 1.482 75 residues pruned to eliminate duplicates Z: 12 14.358 1.998 0.130 0.892 1.000 0.909 CB 1.378 12 residues pruned to eliminate duplicates Z: 14 14.388 1.853 0.344 0.842 1.000 0.923 CB 1.195 14 residues pruned to eliminate duplicates Z: 14 14.376 1.850 0.346 0.861 1.000 0.846 CB 1.176 14 residues pruned to eliminate duplicates Z: 13 13.533 1.892 0.250 0.773 1.000 0.833 CB 1.298 13 residues pruned to eliminate duplicates Z: 16 9.485 1.651 0.119 0.699 1.000 0.733 CB 1.106 16 residues pruned to eliminate duplicates Z: 14 14.634 1.810 0.368 0.835 1.000 0.692 CA 1.228 14 residues pruned to eliminate duplicates Z: 14 15.147 1.811 0.416 0.854 1.000 0.538 CB 1.209 14 residues pruned to eliminate duplicates Z: 15 15.151 1.740 0.421 0.844 1.000 0.857 CB 1.219 15 residues pruned to eliminate duplicates Z: 12 18.385 1.979 0.466 0.896 1.000 0.727 CB 1.369 12 residues pruned to eliminate duplicates Z: 13 14.042 1.906 0.455 0.826 1.000 0.583 CB 1.102 13 residues pruned to eliminate duplicates Z: 12 12.927 2.024 0.408 0.583 0.909 0.636 CB 1.390 12 residues pruned to eliminate duplicates Z: 9 17.249 2.291 0.507 0.672 0.875 0.625 CB 1.723 9 residues pruned to eliminate duplicates Z: 28 32.059 2.236 0.668 0.644 0.889 0.667 CB 1.626 28 residues pruned to eliminate duplicates Z: 10 18.730 2.230 0.687 0.599 0.889 0.667 CA 1.698 10 residues pruned to eliminate duplicates Z: 84 42.217 2.282 0.475 0.517 0.904 0.614 CB 1.498 84 residues pruned to eliminate duplicates Z: 10 15.403 2.055 0.510 0.635 1.000 0.667 CA 1.458 10 residues pruned to eliminate duplicates Z: 10 20.289 2.287 0.610 0.715 0.889 0.667 CA 1.701 10 residues pruned to eliminate duplicates Z: 47 41.375 2.281 0.669 0.547 0.978 0.630 CB 1.565 47 residues pruned to eliminate duplicates Z: 29 26.642 2.248 0.350 0.621 0.929 0.786 CB 1.594 29 residues pruned to eliminate duplicates Z: 34 26.251 2.201 0.318 0.528 0.970 0.667 CB 1.581 34 residues pruned to eliminate duplicates Z: 70 40.261 2.303 0.538 0.448 0.913 0.565 CB 1.581 70 residues pruned to eliminate duplicates Z: 74 42.132 2.288 0.503 0.517 0.932 0.589 CB 1.514 74 residues pruned to eliminate duplicates Z: 40 32.696 2.299 0.566 0.614 0.897 0.744 CB 1.455 40 residues pruned to eliminate duplicates Z: 86 41.274 2.304 0.495 0.489 0.882 0.565 CB 1.489 86 residues pruned to eliminate duplicates Z: 28 29.118 2.293 0.688 0.620 0.852 0.741 CB 1.517 28 residues pruned to eliminate duplicates Z: 64 47.108 2.355 0.579 0.579 0.905 0.619 CB 1.635 64 residues pruned to eliminate duplicates Z: 145 67.058 2.335 0.504 0.573 0.924 0.590 CB 1.606 145 residues pruned to eliminate duplicates Z: 36 37.032 2.371 0.726 0.502 0.971 0.486 CB 1.572 36 residues pruned to eliminate duplicates Z: 50 46.377 2.306 0.737 0.577 0.918 0.531 CB 1.673 50 residues pruned to eliminate duplicates Z: 85 41.268 2.313 0.523 0.487 0.833 0.536 CB 1.555 85 residues pruned to eliminate duplicates Z: 30 25.554 2.157 0.827 0.476 0.828 0.379 CB 1.491 30 residues pruned to eliminate duplicates Z: 49 42.502 2.330 0.654 0.555 0.917 0.646 CB 1.647 49 residues pruned to eliminate duplicates Z: 27 30.498 2.312 0.683 0.636 0.885 0.654 CB 1.530 27 residues pruned to eliminate duplicates Z: 26 28.153 2.137 0.834 0.496 0.920 0.520 CB 1.568 26 residues pruned to eliminate duplicates Z: 82 39.265 2.271 0.622 0.447 0.864 0.420 CB 1.447 82 residues pruned to eliminate duplicates Z: 37 36.324 2.327 0.813 0.559 0.833 0.444 CB 1.626 37 residues pruned to eliminate duplicates Z: 59 40.612 2.302 0.594 0.531 0.862 0.569 CB 1.634 59 residues pruned to eliminate duplicates Z: 51 41.800 2.395 0.589 0.567 0.880 0.660 CB 1.654 51 residues pruned to eliminate duplicates Z: 83 39.425 2.308 0.478 0.472 0.866 0.537 CB 1.517 83 residues pruned to eliminate duplicates Z: 88 43.681 2.281 0.468 0.495 0.920 0.529 CB 1.529 88 residues pruned to eliminate duplicates Z: 35 41.221 2.408 0.814 0.550 0.941 0.559 CB 1.637 35 residues pruned to eliminate duplicates Z: 97 48.553 2.268 0.568 0.529 0.906 0.490 CB 1.495 97 residues pruned to eliminate duplicates Z: 93 40.173 2.300 0.461 0.444 0.837 0.522 CB 1.579 93 residues pruned to eliminate duplicates Z: 28 23.078 2.151 0.607 0.526 0.852 0.407 CA 1.470 28 residues pruned to eliminate duplicates Z: 25 22.109 2.262 0.428 0.507 0.875 0.500 CA 1.585 25 residues pruned to eliminate duplicates Z: 48 38.042 2.370 0.543 0.585 0.851 0.617 CB 1.643 48 residues pruned to eliminate duplicates Z: 27 27.255 2.206 0.573 0.511 0.962 0.538 CB 1.584 27 residues pruned to eliminate duplicates Z: 75 45.240 2.300 0.570 0.518 0.905 0.541 CB 1.580 75 residues pruned to eliminate duplicates Z: 85 42.115 2.322 0.552 0.483 0.845 0.583 CB 1.535 85 residues pruned to eliminate duplicates Z: 26 28.093 2.256 0.653 0.567 0.840 0.480 CB 1.682 26 residues pruned to eliminate duplicates Z: 43 42.825 2.321 0.772 0.489 0.952 0.524 CB 1.705 43 residues pruned to eliminate duplicates Z: 45 47.250 2.363 0.876 0.613 0.932 0.432 CB 1.550 45 residues pruned to eliminate duplicates Z: 80 41.051 2.291 0.556 0.475 0.873 0.544 CB 1.521 80 residues pruned to eliminate duplicates Z: 83 37.742 2.269 0.521 0.459 0.829 0.573 CB 1.519 83 residues pruned to eliminate duplicates Z: 50 44.883 2.320 0.795 0.530 0.898 0.469 CB 1.665 50 residues pruned to eliminate duplicates Z: 25 13.931 2.181 0.216 0.367 0.792 0.375 CB 1.562 25 residues pruned to eliminate duplicates Z: 72 36.460 2.304 0.486 0.469 0.859 0.563 CB 1.517 72 residues pruned to eliminate duplicates Z: 68 37.334 2.263 0.504 0.482 0.896 0.522 CB 1.524 68 residues pruned to eliminate duplicates Z: 50 47.745 2.303 0.941 0.569 0.918 0.510 CB 1.554 50 residues pruned to eliminate duplicates Z: 37 27.982 2.238 0.561 0.497 0.833 0.500 CA 1.606 37 residues pruned to eliminate duplicates Z: 67 49.646 2.359 0.688 0.542 0.939 0.545 CB 1.567 67 residues pruned to eliminate duplicates Z: 58 50.983 2.338 0.741 0.593 0.912 0.684 CB 1.664 58 residues pruned to eliminate duplicates Z: 16 18.785 2.385 0.211 0.491 1.000 0.467 CA 1.694 16 residues pruned to eliminate duplicates Z: 44 26.681 2.257 0.551 0.454 0.860 0.488 CB 1.415 44 residues pruned to eliminate duplicates Z: 82 43.424 2.321 0.477 0.514 0.926 0.457 CB 1.499 82 residues pruned to eliminate duplicates Z: 68 36.881 2.251 0.528 0.493 0.910 0.507 CB 1.448 68 residues pruned to eliminate duplicates Z: 43 25.669 2.268 0.437 0.408 0.881 0.405 CB 1.520 43 residues pruned to eliminate duplicates Z: 9 16.831 2.400 0.702 0.439 0.875 0.625 CB 1.773 9 residues pruned to eliminate duplicates Z: 63 47.737 2.298 0.683 0.588 0.919 0.661 CB 1.567 63 residues pruned to eliminate duplicates Z: 42 16.923 2.243 0.300 0.353 0.805 0.366 CB 1.320 42 residues pruned to eliminate duplicates Z: 81 40.204 2.297 0.425 0.465 0.938 0.538 CB 1.517 81 residues pruned to eliminate duplicates Z: 68 48.613 2.324 0.695 0.534 0.910 0.642 CB 1.602 68 residues pruned to eliminate duplicates Z: 14 13.196 2.431 0.374 0.357 0.846 0.538 CB 1.511 14 residues pruned to eliminate duplicates Z: 32 18.619 2.242 0.409 0.405 0.871 0.484 CB 1.343 32 residues pruned to eliminate duplicates Z: 46 20.674 2.142 0.350 0.391 0.889 0.444 CB 1.346 46 residues pruned to eliminate duplicates Z: 81 51.131 2.307 0.633 0.525 0.950 0.575 CB 1.559 81 residues pruned to eliminate duplicates Z: 35 16.287 2.131 0.426 0.381 0.794 0.471 CB 1.314 35 residues pruned to eliminate duplicates Z: 64 38.453 2.285 0.524 0.528 0.873 0.492 CB 1.550 64 residues pruned to eliminate duplicates Z: 85 43.735 2.300 0.416 0.523 0.940 0.595 CB 1.522 85 residues pruned to eliminate duplicates Z: 35 17.858 2.301 0.217 0.405 0.882 0.529 CB 1.370 35 residues pruned to eliminate duplicates Z: 29 19.681 2.287 0.263 0.414 1.000 0.536 CB 1.409 29 residues pruned to eliminate duplicates Z: 44 23.177 2.294 0.279 0.398 0.884 0.419 CB 1.518 44 residues pruned to eliminate duplicates Z: 67 45.783 2.322 0.675 0.521 0.909 0.561 CB 1.560 67 residues pruned to eliminate duplicates Z: 10 8.610 2.198 0.345 0.528 0.778 0.667 CB 1.214 10 residues pruned to eliminate duplicates Z: 19 18.145 2.114 0.495 0.410 0.944 0.389 CB 1.576 19 residues pruned to eliminate duplicates Z: 19 13.825 2.073 0.459 0.386 0.833 0.444 CB 1.460 19 residues pruned to eliminate duplicates Z: 15 16.928 2.236 0.404 0.466 0.929 0.571 CB 1.607 15 residues pruned to eliminate duplicates Z: 19 15.627 2.250 0.481 0.400 0.889 0.500 CB 1.382 19 residues pruned to eliminate duplicates Z: 154 60.678 2.291 0.487 0.536 0.902 0.601 CB 1.541 154 residues pruned to eliminate duplicates Z: 18 14.389 2.264 0.446 0.406 0.824 0.412 CB 1.428 18 residues pruned to eliminate duplicates Z: 16 16.655 2.279 0.489 0.424 0.800 0.467 CB 1.715 16 residues pruned to eliminate duplicates Z: 42 21.374 2.267 0.330 0.424 0.829 0.463 CB 1.445 42 residues pruned to eliminate duplicates Z: 30 21.635 2.235 0.520 0.422 0.897 0.483 CB 1.430 30 residues pruned to eliminate duplicates Z: 30 18.772 2.220 0.487 0.432 0.828 0.483 CB 1.369 30 residues pruned to eliminate duplicates Z: 35 18.999 2.165 0.377 0.396 0.882 0.441 CB 1.382 35 residues pruned to eliminate duplicates Z: 18 14.772 2.221 0.526 0.429 0.765 0.294 CB 1.488 18 residues pruned to eliminate duplicates Z: 18 17.389 2.148 0.547 0.363 0.882 0.353 CB 1.667 18 residues pruned to eliminate duplicates Z: 31 18.106 2.134 0.465 0.397 0.900 0.433 CB 1.311 31 residues pruned to eliminate duplicates Z: 20 15.105 2.118 0.516 0.376 0.895 0.421 CB 1.377 20 residues pruned to eliminate duplicates Z: 148 65.294 2.303 0.590 0.553 0.891 0.619 CB 1.567 148 residues pruned to eliminate duplicates Z: 116 57.762 2.333 0.536 0.551 0.904 0.635 CB 1.581 116 residues pruned to eliminate duplicates Z: 91 46.056 2.275 0.464 0.549 0.900 0.667 CB 1.544 91 residues pruned to eliminate duplicates Z: 78 47.599 2.306 0.469 0.588 0.922 0.636 CB 1.596 78 residues pruned to eliminate duplicates Z: 33 34.071 2.350 0.452 0.690 0.875 0.719 CB 1.695 33 residues pruned to eliminate duplicates Z: 53 46.075 2.300 0.415 0.693 0.981 0.731 CB 1.678 53 residues pruned to eliminate duplicates Z: 62 47.790 2.329 0.476 0.631 0.934 0.623 CB 1.684 62 residues pruned to eliminate duplicates Z: 22 33.432 2.332 0.567 0.835 0.857 0.619 CB 1.745 22 residues pruned to eliminate duplicates Z: 88 44.329 2.204 0.521 0.563 0.885 0.586 CB 1.508 88 residues pruned to eliminate duplicates Z: 95 47.462 2.264 0.502 0.550 0.894 0.511 CB 1.534 95 residues pruned to eliminate duplicates Z: 97 42.203 2.259 0.386 0.545 0.885 0.583 CB 1.486 97 residues pruned to eliminate duplicates Z: 61 36.368 2.298 0.506 0.544 0.850 0.450 CB 1.529 61 residues pruned to eliminate duplicates Z: 34 36.107 2.285 0.631 0.654 0.909 0.424 CB 1.608 34 residues pruned to eliminate duplicates Z: 32 37.549 2.356 0.653 0.712 0.871 0.452 CB 1.640 32 residues pruned to eliminate duplicates Z: 25 30.397 2.179 0.703 0.758 0.875 0.417 CB 1.519 25 residues pruned to eliminate duplicates Z: 22 32.314 2.317 0.673 0.837 0.810 0.333 CB 1.681 22 residues pruned to eliminate duplicates Z: 80 48.816 2.292 0.593 0.571 0.911 0.519 CB 1.542 80 residues pruned to eliminate duplicates Z: 50 34.615 2.262 0.534 0.601 0.857 0.449 CB 1.510 50 residues pruned to eliminate duplicates Z: 75 37.991 2.307 0.482 0.508 0.851 0.500 CB 1.504 75 residues pruned to eliminate duplicates Z: 71 51.180 2.297 0.587 0.622 0.900 0.586 CB 1.662 71 residues pruned to eliminate duplicates Z: 110 52.011 2.312 0.533 0.538 0.862 0.587 CB 1.571 110 residues pruned to eliminate duplicates Z: 104 52.947 2.298 0.506 0.550 0.932 0.553 CB 1.540 104 residues pruned to eliminate duplicates Z: 78 48.048 2.306 0.520 0.590 0.896 0.545 CB 1.600 78 residues pruned to eliminate duplicates Z: 53 36.743 2.272 0.577 0.555 0.923 0.442 CB 1.460 53 residues pruned to eliminate duplicates Z: 79 39.694 2.262 0.456 0.555 0.885 0.526 CB 1.462 79 residues pruned to eliminate duplicates Z: 13 12.005 2.040 0.265 0.479 1.000 0.583 CB 1.372 13 residues pruned to eliminate duplicates Z: 13 8.908 2.118 0.233 0.343 0.833 0.500 CB 1.402 13 residues pruned to eliminate duplicates Z: 92 47.923 2.277 0.537 0.540 0.923 0.549 CB 1.496 92 residues pruned to eliminate duplicates Z: 62 51.697 2.307 0.682 0.660 0.934 0.574 CB 1.573 62 residues pruned to eliminate duplicates Z: 57 33.128 2.181 0.410 0.545 0.946 0.607 CB 1.456 57 residues pruned to eliminate duplicates Z: 80 49.972 2.307 0.530 0.592 0.937 0.519 CB 1.558 80 residues pruned to eliminate duplicates Z: 58 46.729 2.240 0.623 0.565 0.982 0.719 CB 1.627 58 residues pruned to eliminate duplicates Z: 41 34.121 2.271 0.485 0.518 0.975 0.650 CB 1.613 41 residues pruned to eliminate duplicates Z: 150 66.207 2.309 0.573 0.554 0.919 0.530 CB 1.541 150 residues pruned to eliminate duplicates Z: 78 46.974 2.295 0.499 0.580 0.883 0.571 CB 1.632 78 residues pruned to eliminate duplicates Z: 109 49.177 2.290 0.438 0.529 0.907 0.574 CB 1.540 109 residues pruned to eliminate duplicates Z: 55 48.512 2.333 0.632 0.610 0.963 0.519 CB 1.622 55 residues pruned to eliminate duplicates Z: 59 46.364 2.236 0.575 0.642 0.931 0.621 CB 1.625 59 residues pruned to eliminate duplicates Z: 62 49.230 2.314 0.562 0.666 0.918 0.639 CB 1.630 62 residues pruned to eliminate duplicates Z: 61 46.349 2.313 0.499 0.644 0.950 0.550 CB 1.588 61 residues pruned to eliminate duplicates Z: 66 29.917 2.134 0.404 0.433 0.892 0.554 CB 1.488 66 residues pruned to eliminate duplicates Z: 92 48.798 2.286 0.499 0.575 0.901 0.571 CB 1.541 92 residues pruned to eliminate duplicates Z: 43 35.686 2.241 0.559 0.537 0.952 0.619 CB 1.597 43 residues pruned to eliminate duplicates Z: 61 52.584 2.325 0.750 0.636 0.900 0.583 CB 1.632 61 residues pruned to eliminate duplicates Z: 64 49.127 2.276 0.687 0.597 0.921 0.444 CB 1.596 64 residues pruned to eliminate duplicates Z: 30 30.824 2.216 0.624 0.603 0.931 0.414 CB 1.548 30 residues pruned to eliminate duplicates Z: 61 54.097 2.333 0.732 0.624 0.950 0.483 CB 1.619 61 residues pruned to eliminate duplicates Z: 79 45.815 2.295 0.583 0.581 0.885 0.487 CB 1.493 79 residues pruned to eliminate duplicates Z: 40 31.398 2.232 0.609 0.507 0.923 0.513 CB 1.506 40 residues pruned to eliminate duplicates Z: 60 56.749 2.353 0.721 0.676 0.949 0.542 CB 1.634 60 residues pruned to eliminate duplicates Z: 62 49.493 2.311 0.642 0.615 0.934 0.475 CB 1.603 62 residues pruned to eliminate duplicates Z: 61 48.738 2.311 0.661 0.642 0.900 0.550 CB 1.596 61 residues pruned to eliminate duplicates Z: 62 56.414 2.332 0.767 0.623 0.967 0.590 CB 1.615 62 residues pruned to eliminate duplicates Z: 61 55.011 2.368 0.749 0.625 0.933 0.467 CB 1.633 61 residues pruned to eliminate duplicates Z: 62 50.242 2.312 0.632 0.643 0.918 0.623 CB 1.626 62 residues pruned to eliminate duplicates Z: 61 51.660 2.328 0.746 0.616 0.917 0.517 CB 1.603 61 residues pruned to eliminate duplicates Z: 43 35.963 2.207 0.614 0.521 0.976 0.500 CB 1.562 43 residues pruned to eliminate duplicates Z: 61 44.396 2.258 0.625 0.593 0.900 0.467 CB 1.588 61 residues pruned to eliminate duplicates Z: 79 54.301 2.300 0.664 0.597 0.936 0.500 CB 1.564 79 residues pruned to eliminate duplicates Z: 144 64.283 2.297 0.547 0.567 0.909 0.524 CB 1.560 144 residues pruned to eliminate duplicates Z: 39 39.518 2.325 0.618 0.593 0.974 0.579 CB 1.601 39 residues pruned to eliminate duplicates Z: 94 53.348 2.298 0.628 0.577 0.892 0.527 CB 1.538 94 residues pruned to eliminate duplicates Z: 38 22.465 1.968 0.389 0.532 0.946 0.703 CB 1.384 40 residues pruned to eliminate duplicates Z: 7 16.612 2.129 0.577 0.767 1.000 0.333 CA 1.594 7 residues pruned to eliminate duplicates Z: 9 11.902 1.758 0.548 0.857 0.875 0.625 CA 1.303 8 residues pruned to eliminate duplicates Z: 8 10.594 1.892 0.597 0.801 0.714 0.571 CA 1.426 8 residues pruned to eliminate duplicates Z: 23 14.137 2.052 0.249 0.464 0.773 0.591 CB 1.580 23 residues pruned to eliminate duplicates Z: 23 16.335 2.007 0.352 0.379 0.864 0.500 CA 1.691 23 residues pruned to eliminate duplicates Z: 24 18.491 2.064 0.305 0.413 0.957 0.609 CB 1.639 25 residues pruned to eliminate duplicates Z: 7 6.612 1.582 0.548 0.544 1.000 0.833 CA 1.055 7 residues pruned to eliminate duplicates Z: 25 16.561 2.017 0.314 0.453 0.875 0.542 CB 1.530 24 residues pruned to eliminate duplicates Z: 6 3.451 1.486 0.289 0.301 1.000 0.400 CA 1.005 6 residues pruned to eliminate duplicates Z: 25 14.943 2.016 0.317 0.371 0.833 0.500 CB 1.583 25 residues pruned to eliminate duplicates Z: 26 12.862 2.005 0.208 0.413 0.800 0.520 CB 1.454 26 residues pruned to eliminate duplicates Z: 22 15.710 2.069 0.263 0.403 0.905 0.571 CB 1.605 23 residues pruned to eliminate duplicates Z: 6 6.081 1.619 0.529 0.445 1.000 0.600 CA 1.162 6 residues pruned to eliminate duplicates Z: 6 5.140 1.766 0.527 0.405 1.000 0.600 CA 0.941 6 residues pruned to eliminate duplicates Z: 18 22.633 2.206 0.693 0.484 0.882 0.529 CB 1.693 18 residues pruned to eliminate duplicates Z: 10 11.855 2.340 0.255 0.263 1.000 0.667 CA 1.762 10 residues pruned to eliminate duplicates Z: 24 23.408 1.992 0.759 0.533 1.000 0.652 CB 1.349 24 residues pruned to eliminate duplicates Z: 23 24.955 2.059 0.876 0.490 0.909 0.455 CB 1.530 23 residues pruned to eliminate duplicates Z: 9 11.347 2.007 0.152 0.669 0.875 0.750 CB 1.696 9 residues pruned to eliminate duplicates Z: 10 12.683 1.981 0.083 0.652 1.000 0.667 CB 1.711 10 residues pruned to eliminate duplicates Z: 12 13.465 1.957 0.376 0.584 1.000 0.818 CB 1.390 12 residues pruned to eliminate duplicates Z: 15 8.728 1.675 0.492 0.431 0.857 0.500 CB 1.170 15 residues pruned to eliminate duplicates Z: 22 21.119 1.978 0.829 0.559 0.905 0.571 CB 1.329 22 residues pruned to eliminate duplicates Z: 8 21.756 2.027 1.135 0.864 1.000 0.857 CB 1.393 9 residues pruned to eliminate duplicates Z: 9 20.128 1.887 0.918 0.854 1.000 0.750 CB 1.452 9 residues pruned to eliminate duplicates 490 residues left after pruning, divided into chains as follows: A: 13 B: 179 C: 36 D: 35 E: 156 F: 15 G: 14 H: 21 I: 21 CC for partial structure against native data = 34.18 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.299, Contrast = 0.445, Connect. = 0.748 for dens.mod. cycle 1 = 0.299, Contrast = 0.495, Connect. = 0.763 for dens.mod. cycle 2 = 0.299, Contrast = 0.634, Connect. = 0.800 for dens.mod. cycle 3 = 0.299, Contrast = 0.648, Connect. = 0.802 for dens.mod. cycle 4 = 0.299, Contrast = 0.663, Connect. = 0.804 for dens.mod. cycle 5 = 0.299, Contrast = 0.671, Connect. = 0.805 for dens.mod. cycle 6 = 0.299, Contrast = 0.679, Connect. = 0.807 for dens.mod. cycle 7 = 0.299, Contrast = 0.685, Connect. = 0.808 for dens.mod. cycle 8 = 0.299, Contrast = 0.691, Connect. = 0.809 for dens.mod. cycle 9 = 0.299, Contrast = 0.695, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2751 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 576 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 36.614 2.255 0.545 0.915 0.952 0.857 CB 1.701 B: 20 35.425 2.342 0.793 0.911 0.789 0.632 CB 1.738 20 residues pruned to eliminate duplicates C: 14 19.961 2.198 0.245 0.904 1.000 0.769 CB 1.441 D: 28 25.849 2.336 0.364 0.618 0.926 0.704 CB 1.508 14 residues pruned to eliminate duplicates E: 16 30.285 2.234 0.756 0.906 1.000 0.867 CB 1.417 F: 22 35.915 2.286 0.501 0.923 0.952 0.762 CB 1.686 22 residues pruned to eliminate duplicates G: 14 25.293 2.178 0.595 0.833 0.923 0.769 CA 1.642 H: 13 31.926 2.394 0.818 0.909 1.000 1.000 CB 1.503 I: 18 22.650 2.013 0.528 0.806 0.941 0.765 CB 1.453 17 residues pruned to eliminate duplicates J: 9 12.092 2.098 0.486 0.337 1.000 0.875 CB 1.638 K: 22 24.032 2.148 0.836 0.508 0.857 0.524 CB 1.539 L: 13 13.783 2.037 0.607 0.463 0.917 0.750 CB 1.377 M: 14 21.793 2.239 0.447 0.921 0.923 0.923 CB 1.423 12 residues pruned to eliminate duplicates N: 23 18.120 2.060 0.627 0.461 0.818 0.636 CB 1.465 23 residues pruned to eliminate duplicates O: 14 31.910 2.380 0.697 0.914 1.000 0.846 CB 1.550 15 residues pruned to eliminate duplicates P: 15 15.645 2.029 0.299 0.886 0.929 0.714 CB 1.233 Q: 14 37.257 2.418 0.885 0.924 1.000 0.846 CB 1.592 14 residues pruned to eliminate duplicates R: 22 30.192 2.212 0.344 0.901 0.952 0.810 CB 1.661 22 residues pruned to eliminate duplicates S: 21 35.109 2.299 0.756 0.931 0.850 0.700 CB 1.598 21 residues pruned to eliminate duplicates T: 20 36.016 2.330 0.706 0.881 0.895 0.684 CB 1.682 20 residues pruned to eliminate duplicates U: 22 28.826 2.031 0.582 0.899 0.952 0.857 CB 1.468 V: 21 17.616 2.134 0.403 0.446 0.950 0.600 CB 1.464 W: 14 29.058 2.238 0.701 0.879 1.000 0.385 CA 1.535 X: 6 9.919 1.969 0.435 0.827 0.800 0.800 CA 1.479 Y: 22 28.833 2.200 0.249 0.902 0.952 0.905 CB 1.715 22 residues pruned to eliminate duplicates Z: 22 25.279 2.110 0.250 0.922 0.952 0.714 CB 1.545 22 residues pruned to eliminate duplicates Z: 22 38.581 2.258 0.652 0.944 1.000 0.857 CB 1.563 22 residues pruned to eliminate duplicates Z: 20 46.177 2.348 0.725 0.935 1.000 0.684 CB 1.823 20 residues pruned to eliminate duplicates Z: 14 38.678 2.239 1.118 0.865 1.000 0.769 CA 1.658 14 residues pruned to eliminate duplicates Z: 95 43.396 2.284 0.306 0.558 0.926 0.617 CB 1.532 39 residues pruned to eliminate duplicates Z: 16 13.040 2.021 0.331 0.426 0.867 0.600 CB 1.559 9 residues pruned to eliminate duplicates Z: 20 36.107 2.309 0.399 0.930 1.000 0.842 CB 1.793 20 residues pruned to eliminate duplicates Z: 78 46.000 2.254 0.585 0.604 0.896 0.532 CB 1.483 79 residues pruned to eliminate duplicates Z: 18 25.301 2.268 0.132 0.914 1.000 0.882 CB 1.690 18 residues pruned to eliminate duplicates Z: 20 25.871 2.307 0.146 0.915 0.895 0.842 CB 1.773 20 residues pruned to eliminate duplicates Z: 64 44.918 2.305 0.552 0.560 0.937 0.587 CB 1.594 43 residues pruned to eliminate duplicates Z: 14 39.051 2.439 1.047 0.905 1.000 0.846 CB 1.544 14 residues pruned to eliminate duplicates Z: 22 33.982 2.155 0.631 0.932 1.000 0.714 CB 1.474 26 residues pruned to eliminate duplicates Z: 84 46.086 2.260 0.569 0.531 0.904 0.590 CB 1.532 59 residues pruned to eliminate duplicates Z: 60 55.386 2.336 0.786 0.588 0.983 0.610 CB 1.616 65 residues pruned to eliminate duplicates Z: 14 37.186 2.364 0.937 0.930 1.000 0.769 CB 1.575 14 residues pruned to eliminate duplicates Z: 15 24.359 2.210 0.638 0.849 0.929 0.571 CB 1.435 13 residues pruned to eliminate duplicates Z: 10 12.684 2.203 0.405 0.658 0.889 0.778 CB 1.326 10 residues pruned to eliminate duplicates Z: 12 11.600 1.942 0.103 0.891 1.000 0.909 CA 1.174 12 residues pruned to eliminate duplicates Z: 21 36.837 2.155 0.772 0.932 1.000 0.700 CB 1.507 21 residues pruned to eliminate duplicates Z: 14 35.221 2.318 0.919 0.911 1.000 0.692 CB 1.556 15 residues pruned to eliminate duplicates Z: 14 29.846 2.241 0.667 0.874 1.000 0.462 CA 1.613 14 residues pruned to eliminate duplicates Z: 38 17.747 2.041 0.495 0.436 0.838 0.405 CB 1.220 Z: 8 13.198 1.952 0.149 0.894 1.000 0.857 N 1.595 8 residues pruned to eliminate duplicates Z: 16 26.479 2.186 0.715 0.925 0.933 0.600 CB 1.371 16 residues pruned to eliminate duplicates Z: 21 29.721 2.090 0.421 0.917 1.000 0.800 CB 1.580 21 residues pruned to eliminate duplicates Z: 21 40.077 2.151 0.804 0.925 1.000 0.500 CB 1.621 21 residues pruned to eliminate duplicates Z: 21 33.460 2.219 0.438 0.922 0.950 0.850 CB 1.735 21 residues pruned to eliminate duplicates Z: 21 41.140 2.204 1.004 0.906 0.900 0.400 CB 1.647 21 residues pruned to eliminate duplicates Z: 21 30.942 2.266 0.293 0.928 0.950 0.900 CB 1.741 21 residues pruned to eliminate duplicates Z: 41 21.063 2.255 0.309 0.430 0.850 0.450 CB 1.427 41 residues pruned to eliminate duplicates Z: 14 31.619 2.413 0.623 0.907 1.000 0.923 CB 1.591 14 residues pruned to eliminate duplicates Z: 6 7.082 1.726 0.204 0.575 1.000 0.200 CB 1.418 6 residues pruned to eliminate duplicates Z: 56 41.591 2.287 0.512 0.601 0.945 0.582 CB 1.558 56 residues pruned to eliminate duplicates Z: 17 25.004 2.140 0.666 0.915 1.000 0.750 CB 1.239 17 residues pruned to eliminate duplicates Z: 16 24.475 2.222 0.404 0.859 0.933 0.800 CB 1.597 16 residues pruned to eliminate duplicates Z: 53 45.518 2.386 0.675 0.548 0.904 0.519 CB 1.669 53 residues pruned to eliminate duplicates Z: 62 43.929 2.262 0.648 0.523 0.934 0.525 CB 1.578 61 residues pruned to eliminate duplicates Z: 57 38.905 2.254 0.599 0.554 0.929 0.446 CB 1.473 53 residues pruned to eliminate duplicates Z: 8 14.457 1.916 0.335 0.901 1.000 0.857 CB 1.525 8 residues pruned to eliminate duplicates Z: 15 29.382 2.255 0.716 0.924 0.929 0.643 CB 1.535 15 residues pruned to eliminate duplicates Z: 11 12.143 2.005 0.637 0.712 0.800 0.700 CA 1.207 6 residues pruned to eliminate duplicates Z: 12 18.502 2.106 0.199 0.903 1.000 0.909 CB 1.574 12 residues pruned to eliminate duplicates Z: 62 47.357 2.265 0.718 0.568 0.934 0.639 CB 1.562 62 residues pruned to eliminate duplicates Z: 96 50.241 2.263 0.615 0.558 0.863 0.547 CB 1.544 95 residues pruned to eliminate duplicates Z: 38 29.796 2.272 0.280 0.687 0.865 0.703 CB 1.640 38 residues pruned to eliminate duplicates Z: 14 26.243 2.315 0.467 0.851 1.000 0.538 CA 1.586 14 residues pruned to eliminate duplicates Z: 62 43.960 2.276 0.528 0.571 0.934 0.459 CB 1.616 64 residues pruned to eliminate duplicates Z: 14 18.371 2.197 0.484 0.845 0.692 0.462 CB 1.678 14 residues pruned to eliminate duplicates Z: 13 15.896 1.832 0.548 0.842 1.000 0.833 CB 1.206 Z: 163 69.057 2.319 0.538 0.556 0.926 0.531 CB 1.557 163 residues pruned to eliminate duplicates Z: 30 27.296 2.246 0.568 0.625 0.897 0.724 CB 1.428 30 residues pruned to eliminate duplicates Z: 27 30.559 2.161 0.748 0.766 0.885 0.346 CB 1.416 27 residues pruned to eliminate duplicates Z: 7 12.217 1.952 0.573 0.709 1.000 0.667 CB 1.344 Z: 11 16.242 1.913 0.218 0.911 1.000 0.800 N 1.562 Z: 11 15.788 1.932 0.579 0.779 1.000 0.900 CA 1.279 12 residues pruned to eliminate duplicates Z: 13 14.257 2.088 0.141 0.884 1.000 0.917 CB 1.248 Z: 118 48.735 2.244 0.487 0.515 0.915 0.487 CB 1.454 118 residues pruned to eliminate duplicates Z: 15 29.998 2.299 0.775 0.832 0.857 0.571 CA 1.721 15 residues pruned to eliminate duplicates Z: 7 10.139 1.765 0.780 0.722 1.000 0.667 C 1.078 7 residues pruned to eliminate duplicates Z: 8 11.114 1.905 0.634 0.815 0.857 0.714 CB 1.198 8 residues pruned to eliminate duplicates Z: 22 38.388 2.104 1.030 0.913 0.905 0.333 CB 1.534 22 residues pruned to eliminate duplicates Z: 18 16.250 2.184 0.407 0.503 0.941 0.471 CB 1.359 6 residues pruned to eliminate duplicates Z: 24 20.128 1.989 0.438 0.749 0.913 0.696 CB 1.286 15 residues pruned to eliminate duplicates Z: 20 27.951 2.098 0.661 0.706 1.000 0.632 CB 1.526 21 residues pruned to eliminate duplicates Z: 15 20.357 2.208 0.332 0.866 0.929 0.643 CA 1.458 15 residues pruned to eliminate duplicates Z: 7 9.569 2.291 0.254 0.264 1.000 1.000 CB 1.780 7 residues pruned to eliminate duplicates Z: 55 37.428 2.263 0.646 0.531 0.889 0.463 CB 1.492 55 residues pruned to eliminate duplicates Z: 6 6.737 2.061 0.020 0.834 0.800 0.400 CB 1.343 Z: 41 25.747 2.043 0.515 0.510 0.925 0.500 CB 1.408 36 residues pruned to eliminate duplicates Z: 15 29.075 2.227 0.651 0.899 1.000 0.857 CB 1.511 15 residues pruned to eliminate duplicates Z: 14 19.987 2.036 0.474 0.850 1.000 0.769 CB 1.368 13 residues pruned to eliminate duplicates Z: 13 36.879 2.342 0.925 0.944 1.000 0.833 CB 1.636 13 residues pruned to eliminate duplicates Z: 96 51.840 2.296 0.528 0.576 0.905 0.537 CB 1.556 96 residues pruned to eliminate duplicates Z: 15 16.132 2.125 0.534 0.500 0.786 0.714 CB 1.684 16 residues pruned to eliminate duplicates Z: 15 36.094 2.309 0.937 0.814 1.000 0.571 CA 1.642 15 residues pruned to eliminate duplicates Z: 14 39.610 2.411 1.112 0.907 1.000 0.615 CB 1.534 14 residues pruned to eliminate duplicates Z: 41 36.015 2.382 0.630 0.523 0.825 0.475 CA 1.738 41 residues pruned to eliminate duplicates Z: 13 25.410 2.011 0.806 0.921 1.000 0.417 CB 1.421 Z: 13 12.311 1.985 0.046 0.903 1.000 0.833 CB 1.220 13 residues pruned to eliminate duplicates Z: 22 40.427 2.255 0.732 0.913 0.952 0.714 CB 1.678 22 residues pruned to eliminate duplicates Z: 15 22.755 2.089 0.823 0.857 0.929 0.857 CA 1.267 15 residues pruned to eliminate duplicates Z: 42 18.538 2.085 0.529 0.408 0.829 0.415 CB 1.207 43 residues pruned to eliminate duplicates Z: 12 17.571 1.917 0.274 0.875 1.000 0.727 CB 1.578 12 residues pruned to eliminate duplicates Z: 7 12.834 1.989 0.482 0.798 1.000 0.667 CB 1.369 7 residues pruned to eliminate duplicates Z: 20 22.999 2.191 0.680 0.453 0.947 0.684 CB 1.587 20 residues pruned to eliminate duplicates Z: 15 20.269 2.004 0.750 0.847 0.929 0.857 CA 1.235 15 residues pruned to eliminate duplicates Z: 6 5.996 1.805 -0.089 0.832 1.000 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 50 33.354 2.225 0.476 0.537 0.898 0.408 CB 1.558 50 residues pruned to eliminate duplicates Z: 35 17.301 2.034 0.483 0.474 0.853 0.471 CB 1.184 35 residues pruned to eliminate duplicates Z: 14 30.708 2.390 0.683 0.873 1.000 0.846 CB 1.543 14 residues pruned to eliminate duplicates Z: 21 33.486 2.150 0.643 0.907 0.950 0.750 CB 1.586 21 residues pruned to eliminate duplicates Z: 14 28.219 2.370 0.502 0.899 1.000 0.846 CB 1.571 14 residues pruned to eliminate duplicates Z: 13 12.852 2.001 0.128 0.874 1.000 0.917 CB 1.196 13 residues pruned to eliminate duplicates Z: 14 24.347 2.293 0.366 0.828 1.000 0.692 CA 1.624 14 residues pruned to eliminate duplicates Z: 13 16.723 2.136 0.264 0.875 0.917 0.750 CA 1.419 Z: 29 29.109 2.282 0.495 0.598 0.964 0.679 CB 1.524 29 residues pruned to eliminate duplicates Z: 10 20.244 2.301 0.640 0.757 0.889 0.889 CA 1.600 10 residues pruned to eliminate duplicates Z: 7 11.603 1.842 0.665 0.682 1.000 0.500 CB 1.306 7 residues pruned to eliminate duplicates Z: 14 26.769 2.215 0.538 0.858 1.000 0.923 CA 1.604 14 residues pruned to eliminate duplicates Z: 12 18.026 1.995 0.388 0.928 1.000 1.000 CB 1.375 12 residues pruned to eliminate duplicates Z: 21 30.823 2.101 0.520 0.926 1.000 0.900 CB 1.513 21 residues pruned to eliminate duplicates Z: 21 27.523 2.089 0.372 0.912 1.000 0.800 CB 1.521 21 residues pruned to eliminate duplicates Z: 14 16.942 2.018 0.466 0.826 0.923 0.846 CA 1.297 14 residues pruned to eliminate duplicates Z: 14 20.525 2.031 0.522 0.827 1.000 0.692 CB 1.387 14 residues pruned to eliminate duplicates Z: 6 5.286 1.636 0.416 0.643 0.800 0.800 CA 1.116 6 residues pruned to eliminate duplicates Z: 22 43.591 2.262 0.790 0.924 1.000 0.524 CB 1.650 22 residues pruned to eliminate duplicates Z: 12 23.530 2.211 0.590 0.911 0.909 0.818 CB 1.572 12 residues pruned to eliminate duplicates Z: 7 8.917 2.062 0.162 0.681 0.833 0.667 CB 1.543 6 residues pruned to eliminate duplicates Z: 14 18.169 2.006 0.404 0.898 1.000 0.538 CB 1.280 14 residues pruned to eliminate duplicates Z: 12 14.993 1.919 0.041 0.897 1.000 0.909 CB 1.619 11 residues pruned to eliminate duplicates Z: 14 30.378 2.293 0.682 0.819 1.000 0.615 CA 1.657 14 residues pruned to eliminate duplicates Z: 15 16.894 2.020 0.531 0.884 0.929 0.714 CB 1.136 15 residues pruned to eliminate duplicates Z: 19 28.631 2.193 0.410 0.932 1.000 1.000 CB 1.524 19 residues pruned to eliminate duplicates Z: 108 48.115 2.152 0.559 0.538 0.907 0.523 CB 1.474 111 residues pruned to eliminate duplicates Z: 9 10.053 2.110 0.098 0.804 0.750 0.500 CB 1.569 9 residues pruned to eliminate duplicates Z: 45 26.734 2.268 0.371 0.468 0.886 0.636 CB 1.510 45 residues pruned to eliminate duplicates Z: 15 18.902 1.860 0.569 0.904 1.000 0.786 CB 1.232 15 residues pruned to eliminate duplicates Z: 12 19.273 1.849 0.591 0.863 1.000 0.636 CB 1.450 12 residues pruned to eliminate duplicates Z: 62 35.595 2.241 0.465 0.541 0.885 0.639 CB 1.507 62 residues pruned to eliminate duplicates Z: 7 9.812 1.821 0.393 0.846 1.000 0.667 CB 1.173 7 residues pruned to eliminate duplicates Z: 14 18.409 1.885 0.565 0.899 1.000 0.692 CB 1.237 14 residues pruned to eliminate duplicates Z: 14 30.954 2.408 0.525 0.928 1.000 1.000 CB 1.638 14 residues pruned to eliminate duplicates Z: 14 30.825 2.362 0.810 0.929 1.000 0.385 CB 1.399 14 residues pruned to eliminate duplicates Z: 11 14.362 2.172 0.319 0.614 1.000 0.900 CB 1.422 11 residues pruned to eliminate duplicates Z: 57 37.692 2.180 0.627 0.540 0.875 0.482 CB 1.561 57 residues pruned to eliminate duplicates Z: 27 31.160 2.332 0.557 0.705 0.885 0.808 CB 1.578 27 residues pruned to eliminate duplicates Z: 41 27.200 2.070 0.425 0.546 0.975 0.675 CB 1.430 41 residues pruned to eliminate duplicates Z: 34 32.679 2.181 0.491 0.694 0.970 0.697 CB 1.512 34 residues pruned to eliminate duplicates Z: 9 15.516 2.178 0.420 0.827 1.000 0.625 CB 1.336 9 residues pruned to eliminate duplicates Z: 14 33.793 2.384 0.778 0.890 1.000 0.769 CB 1.591 14 residues pruned to eliminate duplicates Z: 22 36.426 2.242 0.657 0.933 0.905 0.524 CB 1.650 22 residues pruned to eliminate duplicates Z: 180 69.274 2.285 0.499 0.547 0.939 0.603 CB 1.539 179 residues pruned to eliminate duplicates Z: 16 20.477 1.974 0.516 0.885 1.000 0.667 CB 1.276 16 residues pruned to eliminate duplicates Z: 16 22.244 2.244 0.296 0.832 0.933 0.533 CA 1.589 16 residues pruned to eliminate duplicates Z: 10 12.543 2.119 0.163 0.864 0.889 0.778 CB 1.400 10 residues pruned to eliminate duplicates Z: 21 29.251 2.135 0.291 0.927 1.000 0.700 CB 1.662 21 residues pruned to eliminate duplicates Z: 14 20.222 2.058 0.421 0.858 1.000 0.692 CB 1.412 13 residues pruned to eliminate duplicates Z: 31 23.960 2.059 0.312 0.703 1.000 0.733 CB 1.345 27 residues pruned to eliminate duplicates Z: 16 21.319 2.136 0.324 0.879 1.000 0.933 CB 1.412 16 residues pruned to eliminate duplicates Z: 22 34.294 2.197 0.402 0.898 1.000 0.667 CB 1.739 22 residues pruned to eliminate duplicates Z: 15 20.344 2.147 0.342 0.875 1.000 0.929 CA 1.372 15 residues pruned to eliminate duplicates Z: 40 31.653 2.050 0.638 0.619 0.949 0.692 CB 1.422 37 residues pruned to eliminate duplicates Z: 15 17.360 2.032 0.294 0.918 1.000 0.786 CB 1.244 15 residues pruned to eliminate duplicates Z: 8 8.506 1.921 0.388 0.568 0.857 0.714 CB 1.317 7 residues pruned to eliminate duplicates Z: 29 27.207 2.195 0.532 0.585 0.964 0.607 CB 1.463 29 residues pruned to eliminate duplicates Z: 8 15.643 2.257 0.103 0.880 1.000 0.571 CB 1.722 8 residues pruned to eliminate duplicates Z: 11 17.359 1.947 0.729 0.806 0.900 0.900 CA 1.387 11 residues pruned to eliminate duplicates Z: 52 35.039 2.203 0.477 0.591 0.902 0.608 CB 1.533 52 residues pruned to eliminate duplicates Z: 33 14.540 2.066 0.393 0.380 0.812 0.438 CB 1.250 33 residues pruned to eliminate duplicates Z: 28 18.508 2.236 0.447 0.453 0.852 0.481 CB 1.356 28 residues pruned to eliminate duplicates Z: 10 17.177 2.076 0.548 0.815 1.000 0.889 CB 1.355 9 residues pruned to eliminate duplicates Z: 22 39.295 2.260 0.523 0.916 1.000 0.571 CB 1.759 22 residues pruned to eliminate duplicates Z: 10 11.970 2.035 0.137 0.880 1.000 0.667 CB 1.250 10 residues pruned to eliminate duplicates Z: 13 20.249 1.843 0.763 0.870 1.000 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 12 30.966 2.414 0.721 0.926 1.000 0.636 CB 1.576 12 residues pruned to eliminate duplicates Z: 55 37.905 2.265 0.536 0.505 0.926 0.556 CB 1.592 55 residues pruned to eliminate duplicates Z: 13 18.806 2.154 0.251 0.877 1.000 0.833 CB 1.462 14 residues pruned to eliminate duplicates Z: 12 16.695 1.925 0.159 0.887 1.000 0.909 CB 1.626 12 residues pruned to eliminate duplicates Z: 32 30.669 2.240 0.537 0.560 0.968 0.484 CB 1.559 33 residues pruned to eliminate duplicates Z: 16 30.016 2.204 0.523 0.910 1.000 1.000 CA 1.638 16 residues pruned to eliminate duplicates Z: 21 31.933 2.138 0.478 0.935 1.000 0.650 CB 1.574 21 residues pruned to eliminate duplicates Z: 36 38.528 2.155 0.680 0.702 0.971 0.571 CB 1.540 36 residues pruned to eliminate duplicates Z: 86 55.388 2.313 0.608 0.571 0.965 0.518 CB 1.563 79 residues pruned to eliminate duplicates Z: 111 51.536 2.265 0.494 0.562 0.927 0.600 CB 1.475 111 residues pruned to eliminate duplicates Z: 14 14.374 2.254 0.494 0.443 0.846 0.692 CB 1.484 14 residues pruned to eliminate duplicates Z: 10 11.070 2.011 0.439 0.808 0.889 0.667 CB 1.097 10 residues pruned to eliminate duplicates Z: 13 14.900 2.096 0.163 0.905 1.000 0.833 CB 1.256 13 residues pruned to eliminate duplicates Z: 14 16.854 1.867 0.254 0.926 1.000 0.923 CB 1.401 14 residues pruned to eliminate duplicates Z: 12 18.350 2.175 0.620 0.850 0.818 0.636 CA 1.421 12 residues pruned to eliminate duplicates Z: 15 21.832 2.065 0.618 0.823 1.000 0.643 CA 1.320 15 residues pruned to eliminate duplicates Z: 72 33.110 2.212 0.401 0.538 0.845 0.521 CB 1.445 72 residues pruned to eliminate duplicates Z: 13 18.216 2.136 0.239 0.899 1.000 0.917 CB 1.420 13 residues pruned to eliminate duplicates Z: 8 12.740 2.000 0.263 0.868 0.857 0.857 CB 1.626 8 residues pruned to eliminate duplicates Z: 9 14.029 1.996 0.249 0.807 1.000 0.750 CA 1.523 9 residues pruned to eliminate duplicates Z: 8 3.350 1.797 -0.237 0.623 0.857 0.857 CB 0.960 8 residues pruned to eliminate duplicates Z: 14 17.337 1.868 0.526 0.890 1.000 0.923 CB 1.213 Z: 11 15.077 2.025 0.402 0.863 0.900 0.700 CB 1.369 11 residues pruned to eliminate duplicates Z: 109 47.128 2.265 0.368 0.528 0.926 0.593 CB 1.539 111 residues pruned to eliminate duplicates Z: 13 15.306 2.084 0.176 0.906 1.000 0.917 CB 1.282 13 residues pruned to eliminate duplicates Z: 14 29.532 2.378 0.658 0.874 1.000 0.462 CB 1.512 14 residues pruned to eliminate duplicates Z: 62 37.046 2.225 0.565 0.547 0.902 0.475 CB 1.443 62 residues pruned to eliminate duplicates Z: 11 11.799 1.720 0.362 0.867 1.000 0.900 CB 1.166 11 residues pruned to eliminate duplicates Z: 13 21.157 1.819 0.837 0.929 1.000 0.917 CB 1.279 14 residues pruned to eliminate duplicates Z: 11 15.791 2.021 0.596 0.777 0.900 0.800 CA 1.347 11 residues pruned to eliminate duplicates Z: 13 14.082 1.889 0.312 0.888 0.917 0.750 CB 1.288 13 residues pruned to eliminate duplicates Z: 11 19.363 2.033 0.612 0.924 1.000 1.000 CB 1.312 11 residues pruned to eliminate duplicates Z: 13 15.229 1.819 0.443 0.839 1.000 0.750 CB 1.251 13 residues pruned to eliminate duplicates Z: 18 19.863 2.193 0.566 0.555 1.000 0.824 CB 1.330 18 residues pruned to eliminate duplicates Z: 14 13.803 2.054 0.201 0.856 0.923 0.692 CB 1.240 14 residues pruned to eliminate duplicates Z: 9 7.242 1.892 0.109 0.868 0.875 0.875 CB 1.020 9 residues pruned to eliminate duplicates Z: 183 68.781 2.257 0.556 0.543 0.907 0.544 CB 1.536 183 residues pruned to eliminate duplicates Z: 11 11.329 1.858 -0.140 0.884 1.000 1.000 CB 1.621 11 residues pruned to eliminate duplicates Z: 17 14.084 2.148 0.338 0.491 0.875 0.625 CB 1.413 17 residues pruned to eliminate duplicates Z: 12 13.916 1.696 0.656 0.823 0.909 0.818 CB 1.242 11 residues pruned to eliminate duplicates Z: 72 45.170 2.234 0.646 0.541 0.915 0.549 CB 1.530 72 residues pruned to eliminate duplicates Z: 14 16.739 1.912 0.428 0.903 0.923 0.769 CB 1.314 14 residues pruned to eliminate duplicates Z: 15 30.378 2.266 0.726 0.865 1.000 0.571 CA 1.521 15 residues pruned to eliminate duplicates Z: 21 12.221 2.164 0.330 0.390 0.900 0.550 CB 1.186 21 residues pruned to eliminate duplicates Z: 10 14.907 2.038 0.258 0.884 0.889 0.889 CB 1.576 10 residues pruned to eliminate duplicates Z: 9 12.597 1.793 0.518 0.912 0.875 0.875 CB 1.325 9 residues pruned to eliminate duplicates Z: 13 19.825 2.071 0.609 0.882 0.917 0.750 CB 1.356 13 residues pruned to eliminate duplicates Z: 8 11.802 2.005 0.568 0.815 0.857 0.571 CB 1.259 8 residues pruned to eliminate duplicates Z: 16 15.329 1.959 0.106 0.907 1.000 0.933 CB 1.299 16 residues pruned to eliminate duplicates Z: 15 25.652 2.217 0.534 0.841 1.000 0.643 CA 1.503 15 residues pruned to eliminate duplicates Z: 11 14.128 1.807 0.190 0.898 1.000 1.000 N 1.487 11 residues pruned to eliminate duplicates Z: 14 16.403 1.799 0.418 0.894 1.000 0.692 CB 1.279 14 residues pruned to eliminate duplicates Z: 56 42.208 2.284 0.802 0.507 0.836 0.527 CB 1.642 56 residues pruned to eliminate duplicates Z: 95 52.439 2.246 0.597 0.564 0.904 0.521 CB 1.568 95 residues pruned to eliminate duplicates Z: 6 5.589 1.593 0.364 0.707 1.000 0.600 CB 0.954 6 residues pruned to eliminate duplicates Z: 13 37.160 2.346 0.912 0.822 1.000 0.333 CA 1.808 13 residues pruned to eliminate duplicates Z: 16 22.575 2.191 0.347 0.858 1.000 0.800 CA 1.454 16 residues pruned to eliminate duplicates Z: 146 53.622 2.163 0.529 0.527 0.897 0.503 CB 1.461 154 residues pruned to eliminate duplicates Z: 14 15.756 1.861 0.275 0.922 1.000 0.846 CB 1.295 14 residues pruned to eliminate duplicates Z: 36 32.779 2.169 0.475 0.679 0.971 0.743 CB 1.512 36 residues pruned to eliminate duplicates Z: 9 16.800 2.257 0.344 0.794 1.000 0.875 CB 1.513 9 residues pruned to eliminate duplicates Z: 8 9.795 1.946 -0.033 0.858 1.000 0.429 CB 1.449 8 residues pruned to eliminate duplicates Z: 24 19.173 1.966 0.533 0.483 0.957 0.478 CB 1.410 23 residues pruned to eliminate duplicates Z: 13 21.511 2.073 0.788 0.885 0.917 0.417 CA 1.320 14 residues pruned to eliminate duplicates Z: 105 51.122 2.232 0.567 0.526 0.904 0.510 CB 1.547 105 residues pruned to eliminate duplicates Z: 59 51.575 2.361 0.708 0.586 0.914 0.638 CB 1.693 60 residues pruned to eliminate duplicates Z: 13 18.848 2.190 0.337 0.877 0.917 0.750 CA 1.472 13 residues pruned to eliminate duplicates Z: 29 29.140 2.248 0.822 0.549 0.893 0.571 CB 1.437 29 residues pruned to eliminate duplicates Z: 22 17.120 2.134 0.327 0.465 0.857 0.524 CB 1.594 22 residues pruned to eliminate duplicates Z: 20 9.363 1.839 0.192 0.465 0.842 0.316 CB 1.206 20 residues pruned to eliminate duplicates Z: 11 20.330 1.990 0.822 0.782 1.000 0.700 CA 1.384 11 residues pruned to eliminate duplicates Z: 13 20.634 2.009 0.487 0.935 1.000 0.667 CB 1.390 13 residues pruned to eliminate duplicates Z: 37 25.773 2.061 0.352 0.646 0.917 0.667 CB 1.468 39 residues pruned to eliminate duplicates Z: 17 19.246 2.215 0.443 0.513 1.000 0.625 CB 1.486 17 residues pruned to eliminate duplicates Z: 79 45.138 2.295 0.402 0.607 0.923 0.590 CB 1.555 79 residues pruned to eliminate duplicates Z: 13 23.780 2.303 0.259 0.918 1.000 0.750 CA 1.669 13 residues pruned to eliminate duplicates Z: 7 4.806 1.847 0.232 0.512 0.667 0.667 CA 1.278 7 residues pruned to eliminate duplicates Z: 14 19.677 2.081 0.445 0.843 1.000 0.769 CB 1.351 14 residues pruned to eliminate duplicates Z: 37 29.101 2.107 0.478 0.656 0.889 0.611 CB 1.516 37 residues pruned to eliminate duplicates Z: 11 17.583 2.225 0.513 0.596 0.900 0.700 CA 1.673 11 residues pruned to eliminate duplicates Z: 90 43.000 2.211 0.662 0.449 0.876 0.404 CB 1.490 90 residues pruned to eliminate duplicates Z: 35 19.284 2.077 0.262 0.439 0.941 0.559 CB 1.428 32 residues pruned to eliminate duplicates Z: 7 12.950 2.010 0.197 0.896 1.000 1.000 CB 1.575 7 residues pruned to eliminate duplicates Z: 35 30.885 2.111 0.781 0.683 0.853 0.382 CB 1.397 35 residues pruned to eliminate duplicates Z: 14 18.189 2.058 0.434 0.837 0.923 0.615 CB 1.385 13 residues pruned to eliminate duplicates Z: 8 6.843 1.791 0.368 0.613 0.857 0.714 CB 1.106 8 residues pruned to eliminate duplicates Z: 12 17.142 1.925 0.409 0.868 1.000 1.000 CB 1.393 12 residues pruned to eliminate duplicates Z: 7 6.913 2.072 0.017 0.739 0.833 0.833 CB 1.297 7 residues pruned to eliminate duplicates Z: 32 29.925 2.179 0.777 0.521 0.935 0.516 CB 1.453 32 residues pruned to eliminate duplicates Z: 128 56.870 2.234 0.658 0.536 0.874 0.496 CB 1.504 128 residues pruned to eliminate duplicates Z: 16 23.050 2.195 0.471 0.842 0.933 0.867 CB 1.472 16 residues pruned to eliminate duplicates Z: 8 13.007 1.863 0.280 0.890 1.000 0.857 N 1.483 8 residues pruned to eliminate duplicates Z: 14 16.845 1.757 0.482 0.802 0.923 0.769 CB 1.493 14 residues pruned to eliminate duplicates Z: 22 36.362 2.226 0.550 0.926 1.000 0.524 CB 1.613 22 residues pruned to eliminate duplicates Z: 6 5.231 1.830 -0.159 0.830 1.000 0.800 CA 1.143 6 residues pruned to eliminate duplicates Z: 15 16.017 2.408 0.398 0.458 0.857 0.429 CB 1.548 15 residues pruned to eliminate duplicates Z: 16 23.810 2.187 0.340 0.903 1.000 0.800 CB 1.496 16 residues pruned to eliminate duplicates Z: 11 12.000 1.707 0.444 0.884 1.000 0.700 CB 1.112 11 residues pruned to eliminate duplicates Z: 128 53.465 2.221 0.502 0.530 0.921 0.606 CB 1.499 128 residues pruned to eliminate duplicates Z: 10 13.681 1.958 0.622 0.878 0.889 0.889 CB 1.173 10 residues pruned to eliminate duplicates Z: 7 9.223 1.778 0.603 0.833 0.833 0.500 CB 1.189 7 residues pruned to eliminate duplicates Z: 11 10.648 1.823 0.281 0.649 1.000 0.600 CB 1.255 11 residues pruned to eliminate duplicates Z: 12 16.952 1.997 0.377 0.902 0.909 0.727 CB 1.459 12 residues pruned to eliminate duplicates Z: 30 25.724 2.042 0.374 0.678 1.000 0.621 CB 1.446 30 residues pruned to eliminate duplicates Z: 12 15.148 1.842 0.390 0.888 1.000 0.818 CB 1.285 12 residues pruned to eliminate duplicates Z: 52 38.030 2.265 0.502 0.573 0.902 0.510 CB 1.617 52 residues pruned to eliminate duplicates Z: 58 36.200 2.212 0.624 0.508 0.860 0.509 CB 1.540 58 residues pruned to eliminate duplicates Z: 10 11.981 1.894 0.447 0.722 0.889 0.444 CB 1.342 10 residues pruned to eliminate duplicates Z: 11 14.960 2.029 0.094 0.909 1.000 1.000 CB 1.513 11 residues pruned to eliminate duplicates Z: 67 51.114 2.328 0.715 0.569 0.909 0.530 CB 1.621 67 residues pruned to eliminate duplicates Z: 14 18.869 2.037 0.693 0.933 1.000 0.769 CB 1.059 14 residues pruned to eliminate duplicates Z: 11 18.190 2.104 0.550 0.882 1.000 1.000 CA 1.276 11 residues pruned to eliminate duplicates Z: 7 5.092 1.581 -0.132 0.864 1.000 0.667 CA 1.111 7 residues pruned to eliminate duplicates Z: 8 10.185 1.779 0.353 0.833 0.857 0.429 CA 1.400 8 residues pruned to eliminate duplicates Z: 15 26.478 2.271 0.627 0.858 0.929 0.429 CA 1.518 15 residues pruned to eliminate duplicates Z: 12 12.873 1.801 0.423 0.748 0.909 0.545 CA 1.334 12 residues pruned to eliminate duplicates Z: 40 33.884 2.256 0.705 0.546 0.897 0.436 CB 1.503 40 residues pruned to eliminate duplicates Z: 20 23.133 2.043 0.551 0.750 1.000 0.579 CB 1.340 20 residues pruned to eliminate duplicates Z: 12 16.685 1.902 0.288 0.891 1.000 1.000 CB 1.476 12 residues pruned to eliminate duplicates Z: 28 18.845 2.172 0.411 0.429 0.889 0.593 CB 1.433 28 residues pruned to eliminate duplicates 6 1.953 1.334 0.134 0.488 0.800 0.600 CB 0.731 ? Z: 13 12.806 1.636 0.756 0.862 0.833 0.583 CB 1.134 13 residues pruned to eliminate duplicates Z: 13 28.496 2.357 0.717 0.929 1.000 0.833 CB 1.422 13 residues pruned to eliminate duplicates Z: 19 12.798 2.119 0.330 0.478 0.944 0.611 CB 1.159 19 residues pruned to eliminate duplicates Z: 11 12.103 1.827 0.375 0.729 1.000 0.500 CB 1.240 11 residues pruned to eliminate duplicates Z: 15 14.214 1.999 0.178 0.919 1.000 0.929 CB 1.136 15 residues pruned to eliminate duplicates Z: 13 20.277 2.111 0.575 0.877 1.000 0.583 CB 1.279 13 residues pruned to eliminate duplicates Z: 29 16.972 2.114 0.435 0.467 0.893 0.536 CB 1.224 29 residues pruned to eliminate duplicates Z: 11 10.885 1.861 0.550 0.493 0.900 0.500 CA 1.335 11 residues pruned to eliminate duplicates Z: 35 32.914 2.281 0.602 0.564 0.912 0.559 CB 1.591 35 residues pruned to eliminate duplicates Z: 6 7.347 1.839 0.427 0.779 1.000 0.800 CB 0.979 Z: 32 32.162 2.187 0.817 0.581 0.903 0.645 CB 1.489 32 residues pruned to eliminate duplicates Z: 34 13.558 1.896 0.212 0.485 0.879 0.545 CB 1.185 25 residues pruned to eliminate duplicates Z: 21 36.144 2.132 0.639 0.930 1.000 0.750 CB 1.616 21 residues pruned to eliminate duplicates Z: 14 13.832 2.009 0.287 0.900 1.000 0.615 CB 1.059 14 residues pruned to eliminate duplicates Z: 36 31.329 2.134 0.437 0.704 0.943 0.657 CB 1.522 36 residues pruned to eliminate duplicates Z: 125 63.826 2.318 0.588 0.567 0.919 0.548 CB 1.587 125 residues pruned to eliminate duplicates Z: 11 18.128 1.868 0.532 0.877 1.000 0.900 CB 1.455 11 residues pruned to eliminate duplicates Z: 7 11.669 2.177 0.446 0.754 1.000 1.000 CB 1.206 7 residues pruned to eliminate duplicates Z: 7 22.452 2.089 0.963 0.858 1.000 0.500 N 1.646 8 residues pruned to eliminate duplicates Z: 7 5.319 1.589 -0.115 0.667 1.000 1.000 CB 1.323 Z: 13 13.559 1.962 0.787 0.392 0.917 0.500 CB 1.365 13 residues pruned to eliminate duplicates Z: 62 52.622 2.413 0.737 0.561 0.918 0.607 CB 1.651 62 residues pruned to eliminate duplicates Z: 17 9.470 1.906 0.366 0.475 0.750 0.500 CB 1.244 17 residues pruned to eliminate duplicates Z: 14 21.151 1.929 0.564 0.931 1.000 0.923 CB 1.359 14 residues pruned to eliminate duplicates Z: 14 15.445 1.980 0.299 0.841 0.923 0.692 CA 1.345 14 residues pruned to eliminate duplicates Z: 15 9.543 1.880 0.288 0.379 0.929 0.643 CA 1.291 15 residues pruned to eliminate duplicates Z: 32 26.210 2.221 0.544 0.530 0.903 0.613 CB 1.475 32 residues pruned to eliminate duplicates Z: 6 2.930 1.375 0.059 0.588 1.000 0.600 C 0.828 Z: 13 16.193 1.787 0.913 0.911 0.917 0.333 CB 1.057 13 residues pruned to eliminate duplicates Z: 7 13.531 1.793 0.929 0.677 1.000 0.500 C 1.357 7 residues pruned to eliminate duplicates Z: 6 7.297 1.872 0.133 0.829 0.800 0.800 CB 1.447 6 residues pruned to eliminate duplicates Z: 14 16.686 1.838 0.421 0.905 1.000 0.769 CB 1.261 14 residues pruned to eliminate duplicates Z: 62 35.564 2.187 0.513 0.485 0.918 0.574 CB 1.521 62 residues pruned to eliminate duplicates Z: 8 8.162 1.827 0.113 0.811 0.857 0.571 CA 1.350 8 residues pruned to eliminate duplicates Z: 32 34.608 2.163 0.677 0.713 0.968 0.581 CB 1.460 32 residues pruned to eliminate duplicates Z: 20 22.765 2.308 0.567 0.642 0.947 0.737 CB 1.335 20 residues pruned to eliminate duplicates Z: 22 38.289 2.243 0.791 0.927 0.952 0.714 CB 1.531 22 residues pruned to eliminate duplicates Z: 36 40.258 2.282 0.724 0.601 0.914 0.771 CA 1.719 36 residues pruned to eliminate duplicates Z: 13 3.491 1.415 0.148 0.326 0.750 0.250 CB 1.002 13 residues pruned to eliminate duplicates Z: 47 38.290 2.054 0.641 0.652 0.957 0.609 CB 1.520 45 residues pruned to eliminate duplicates Z: 10 19.668 2.202 0.676 0.791 0.889 0.889 CB 1.549 10 residues pruned to eliminate duplicates Z: 17 10.118 1.862 0.374 0.342 0.938 0.438 CB 1.252 17 residues pruned to eliminate duplicates Z: 11 14.350 1.980 0.206 0.845 1.000 0.800 CA 1.413 11 residues pruned to eliminate duplicates Z: 100 53.619 2.263 0.546 0.603 0.939 0.556 CB 1.487 100 residues pruned to eliminate duplicates Z: 12 25.137 2.315 0.747 0.599 1.000 0.364 CA 1.705 12 residues pruned to eliminate duplicates Z: 134 55.635 2.270 0.437 0.549 0.902 0.571 CB 1.563 134 residues pruned to eliminate duplicates Z: 12 22.235 2.205 0.642 0.888 1.000 1.000 CB 1.333 12 residues pruned to eliminate duplicates Z: 117 53.749 2.226 0.594 0.539 0.905 0.534 CB 1.495 117 residues pruned to eliminate duplicates Z: 17 13.364 2.230 0.221 0.425 0.938 0.625 CB 1.415 17 residues pruned to eliminate duplicates Z: 6 2.762 1.651 -0.094 0.470 0.800 0.400 CB 1.064 Z: 34 27.664 2.085 0.616 0.625 0.939 0.485 CB 1.352 34 residues pruned to eliminate duplicates Z: 47 24.417 2.165 0.411 0.443 0.935 0.478 CB 1.336 47 residues pruned to eliminate duplicates Z: 39 30.917 2.179 0.569 0.516 0.895 0.553 CB 1.615 39 residues pruned to eliminate duplicates Z: 12 18.132 1.829 0.966 0.901 1.000 0.818 CB 1.085 12 residues pruned to eliminate duplicates Z: 11 13.979 1.942 0.555 0.633 0.900 0.700 CB 1.436 11 residues pruned to eliminate duplicates Z: 10 4.909 1.752 0.175 0.485 0.778 0.778 CB 1.038 10 residues pruned to eliminate duplicates Z: 12 14.065 1.739 0.251 0.911 1.000 0.818 N 1.382 12 residues pruned to eliminate duplicates Z: 50 23.610 2.023 0.508 0.530 0.857 0.490 CB 1.252 50 residues pruned to eliminate duplicates Z: 15 17.639 2.208 0.442 0.493 0.929 0.643 CA 1.605 15 residues pruned to eliminate duplicates Z: 98 40.238 2.175 0.528 0.483 0.866 0.515 CB 1.445 98 residues pruned to eliminate duplicates Z: 11 17.018 1.977 0.628 0.865 1.000 0.700 CB 1.225 11 residues pruned to eliminate duplicates Z: 13 10.770 1.942 -0.071 0.872 1.000 0.750 CB 1.256 13 residues pruned to eliminate duplicates 6 1.568 1.326 -0.248 0.609 0.800 0.800 CB 0.793 ? Z: 30 25.259 2.018 0.363 0.722 1.000 0.759 CB 1.395 30 residues pruned to eliminate duplicates Z: 57 37.596 2.169 0.488 0.532 0.946 0.643 CA 1.594 57 residues pruned to eliminate duplicates Z: 41 19.628 2.178 0.269 0.470 0.800 0.650 CB 1.447 41 residues pruned to eliminate duplicates Z: 15 28.108 2.410 0.217 0.928 1.000 0.929 CB 1.794 15 residues pruned to eliminate duplicates Z: 13 21.003 2.030 0.576 0.861 1.000 0.583 CB 1.393 13 residues pruned to eliminate duplicates Z: 13 10.045 1.752 0.332 0.615 0.917 0.833 CA 1.215 13 residues pruned to eliminate duplicates Z: 13 15.152 1.811 0.595 0.881 0.917 0.500 CB 1.197 13 residues pruned to eliminate duplicates Z: 15 19.793 2.214 0.341 0.720 1.000 0.786 CA 1.460 15 residues pruned to eliminate duplicates Z: 19 32.181 2.242 0.707 0.913 0.889 0.556 CB 1.578 19 residues pruned to eliminate duplicates Z: 126 59.423 2.286 0.587 0.538 0.936 0.512 CB 1.508 128 residues pruned to eliminate duplicates Z: 13 11.496 2.081 0.211 0.464 0.917 0.667 CB 1.490 13 residues pruned to eliminate duplicates Z: 9 15.222 1.801 0.638 0.859 0.875 0.750 N 1.534 9 residues pruned to eliminate duplicates Z: 14 19.005 2.044 0.516 0.868 1.000 0.692 CB 1.242 14 residues pruned to eliminate duplicates Z: 20 18.843 2.231 0.470 0.455 0.842 0.632 CB 1.639 21 residues pruned to eliminate duplicates Z: 17 14.372 1.950 0.519 0.525 0.938 0.688 CA 1.262 17 residues pruned to eliminate duplicates Z: 20 30.043 2.137 0.459 0.922 1.000 0.789 CB 1.554 20 residues pruned to eliminate duplicates Z: 23 22.694 2.215 0.486 0.563 0.909 0.682 CB 1.520 23 residues pruned to eliminate duplicates Z: 10 10.137 1.942 0.391 0.872 0.778 0.556 CB 1.172 10 residues pruned to eliminate duplicates Z: 55 44.533 2.254 0.782 0.533 0.907 0.574 CB 1.610 114 residues pruned to eliminate duplicates Z: 19 22.848 2.130 0.222 0.922 1.000 0.778 CB 1.455 19 residues pruned to eliminate duplicates Z: 6 9.960 1.914 0.459 0.574 1.000 0.600 CB 1.485 6 residues pruned to eliminate duplicates Z: 12 12.427 1.710 0.581 0.662 1.000 0.545 CB 1.193 12 residues pruned to eliminate duplicates Z: 9 3.884 1.589 0.112 0.440 0.875 0.250 CB 0.946 6 residues pruned to eliminate duplicates Z: 15 16.697 2.093 0.419 0.541 0.929 0.643 CB 1.554 15 residues pruned to eliminate duplicates Z: 23 20.316 2.039 0.351 0.693 1.000 0.773 CB 1.318 23 residues pruned to eliminate duplicates Z: 18 17.998 1.901 0.470 0.548 1.000 0.647 CB 1.492 9 residues pruned to eliminate duplicates Z: 9 12.487 1.824 0.494 0.844 0.875 0.750 CB 1.378 Z: 10 8.357 1.897 0.214 0.500 0.889 0.444 CA 1.360 10 residues pruned to eliminate duplicates Z: 7 4.162 1.611 0.090 0.702 0.833 0.833 CB 0.966 7 residues pruned to eliminate duplicates Z: 22 11.420 1.888 0.479 0.302 0.857 0.429 CB 1.299 22 residues pruned to eliminate duplicates Z: 37 32.803 2.109 0.551 0.700 0.917 0.639 CB 1.519 Z: 15 8.723 1.934 0.215 0.434 0.786 0.429 CB 1.352 15 residues pruned to eliminate duplicates Z: 13 18.873 2.152 0.423 0.788 0.917 0.667 CB 1.507 13 residues pruned to eliminate duplicates Z: 13 10.321 2.076 0.247 0.442 0.917 0.583 CA 1.332 13 residues pruned to eliminate duplicates Z: 6 7.733 2.085 0.087 0.870 1.000 1.000 CB 1.114 6 residues pruned to eliminate duplicates Z: 91 48.223 2.332 0.579 0.486 0.900 0.533 CB 1.555 91 residues pruned to eliminate duplicates Z: 31 23.749 2.029 0.310 0.681 0.967 0.800 CB 1.428 31 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 14.678 1.787 0.249 0.842 1.000 0.929 CB 1.310 14 residues pruned to eliminate duplicates Z: 14 12.907 1.890 0.153 0.891 0.923 0.923 CA 1.279 14 residues pruned to eliminate duplicates Z: 15 13.575 1.794 0.341 0.787 0.929 0.786 CB 1.261 15 residues pruned to eliminate duplicates Z: 15 14.920 1.804 0.360 0.782 1.000 0.643 CB 1.268 15 residues pruned to eliminate duplicates Z: 15 15.798 1.818 0.426 0.856 1.000 0.714 CB 1.201 15 residues pruned to eliminate duplicates Z: 13 16.746 2.020 0.535 0.907 0.833 0.583 CB 1.330 13 residues pruned to eliminate duplicates Z: 14 15.856 1.878 0.596 0.819 0.923 0.538 CB 1.205 14 residues pruned to eliminate duplicates Z: 15 16.798 1.755 0.649 0.824 1.000 0.429 CB 1.171 15 residues pruned to eliminate duplicates Z: 12 19.173 1.920 0.700 0.865 1.000 0.545 CB 1.298 13 residues pruned to eliminate duplicates Z: 13 19.838 2.009 0.623 0.909 1.000 0.667 CB 1.246 13 residues pruned to eliminate duplicates Z: 14 16.799 1.865 0.725 0.912 0.923 0.692 CB 1.111 14 residues pruned to eliminate duplicates Z: 28 33.541 2.242 0.734 0.647 0.926 0.741 CB 1.563 28 residues pruned to eliminate duplicates Z: 10 18.362 2.075 0.692 0.852 0.889 0.889 CA 1.451 10 residues pruned to eliminate duplicates Z: 53 48.288 2.355 0.564 0.607 0.942 0.577 CB 1.743 53 residues pruned to eliminate duplicates Z: 10 17.859 2.252 0.441 0.744 0.889 0.889 CA 1.660 10 residues pruned to eliminate duplicates Z: 180 69.795 2.307 0.485 0.542 0.916 0.648 CB 1.595 180 residues pruned to eliminate duplicates Z: 10 24.287 2.265 0.668 0.767 1.000 0.778 CA 1.692 10 residues pruned to eliminate duplicates Z: 11 16.775 2.172 0.445 0.668 0.900 0.700 CA 1.609 11 residues pruned to eliminate duplicates Z: 47 44.431 2.331 0.575 0.595 0.978 0.609 CB 1.666 47 residues pruned to eliminate duplicates Z: 73 49.384 2.350 0.549 0.531 0.958 0.569 CB 1.618 73 residues pruned to eliminate duplicates Z: 32 35.420 2.320 0.598 0.575 0.968 0.677 CB 1.649 32 residues pruned to eliminate duplicates Z: 82 45.547 2.274 0.491 0.541 0.963 0.667 CB 1.488 82 residues pruned to eliminate duplicates Z: 88 42.387 2.274 0.398 0.505 0.931 0.598 CB 1.527 88 residues pruned to eliminate duplicates Z: 75 40.547 2.291 0.467 0.498 0.905 0.662 CB 1.552 75 residues pruned to eliminate duplicates Z: 51 41.957 2.313 0.566 0.560 0.920 0.700 CB 1.680 51 residues pruned to eliminate duplicates Z: 84 50.032 2.283 0.587 0.543 0.928 0.602 CB 1.567 84 residues pruned to eliminate duplicates Z: 81 45.745 2.319 0.507 0.520 0.913 0.562 CB 1.572 81 residues pruned to eliminate duplicates Z: 52 47.074 2.291 0.749 0.605 0.922 0.588 CB 1.615 52 residues pruned to eliminate duplicates Z: 73 44.269 2.311 0.610 0.516 0.903 0.611 CB 1.528 73 residues pruned to eliminate duplicates Z: 70 51.940 2.350 0.695 0.548 0.942 0.565 CB 1.590 70 residues pruned to eliminate duplicates Z: 27 42.732 2.321 0.846 0.660 1.000 0.654 CB 1.685 27 residues pruned to eliminate duplicates Z: 50 48.750 2.309 0.860 0.570 0.939 0.592 CB 1.615 50 residues pruned to eliminate duplicates Z: 115 62.308 2.345 0.586 0.557 0.921 0.579 CB 1.611 115 residues pruned to eliminate duplicates Z: 21 23.103 2.194 0.921 0.607 0.850 0.600 CB 1.302 21 residues pruned to eliminate duplicates Z: 60 52.000 2.317 0.682 0.559 0.966 0.559 CB 1.697 60 residues pruned to eliminate duplicates Z: 65 55.034 2.354 0.733 0.551 0.938 0.562 CB 1.711 65 residues pruned to eliminate duplicates Z: 27 31.649 2.174 1.022 0.523 0.923 0.654 CB 1.495 27 residues pruned to eliminate duplicates Z: 22 26.052 2.281 0.941 0.550 0.857 0.571 CB 1.427 22 residues pruned to eliminate duplicates Z: 79 40.185 2.296 0.524 0.488 0.859 0.551 CB 1.533 79 residues pruned to eliminate duplicates Z: 60 55.840 2.355 0.755 0.596 0.966 0.644 CB 1.662 60 residues pruned to eliminate duplicates Z: 125 63.386 2.316 0.601 0.567 0.903 0.573 CB 1.593 125 residues pruned to eliminate duplicates Z: 73 50.889 2.350 0.674 0.529 0.917 0.528 CB 1.615 73 residues pruned to eliminate duplicates Z: 53 51.485 2.346 0.797 0.552 0.962 0.577 CB 1.673 53 residues pruned to eliminate duplicates Z: 66 48.529 2.296 0.655 0.534 0.908 0.600 CA 1.688 66 residues pruned to eliminate duplicates Z: 114 55.521 2.265 0.541 0.563 0.894 0.549 CB 1.575 114 residues pruned to eliminate duplicates Z: 173 64.877 2.297 0.471 0.526 0.901 0.558 CB 1.584 173 residues pruned to eliminate duplicates Z: 181 66.435 2.286 0.451 0.540 0.906 0.617 CB 1.584 181 residues pruned to eliminate duplicates Z: 60 47.671 2.266 0.735 0.541 0.949 0.542 CB 1.597 60 residues pruned to eliminate duplicates Z: 55 45.507 2.317 0.778 0.521 0.889 0.611 CB 1.655 55 residues pruned to eliminate duplicates Z: 68 45.493 2.362 0.566 0.537 0.881 0.657 CB 1.644 68 residues pruned to eliminate duplicates Z: 166 63.197 2.292 0.498 0.524 0.885 0.527 CB 1.581 166 residues pruned to eliminate duplicates Z: 65 50.743 2.381 0.728 0.546 0.875 0.609 CB 1.684 65 residues pruned to eliminate duplicates Z: 30 33.257 2.280 0.732 0.538 0.897 0.552 CA 1.681 30 residues pruned to eliminate duplicates Z: 67 49.717 2.277 0.697 0.548 0.894 0.576 CA 1.690 67 residues pruned to eliminate duplicates Z: 89 45.635 2.297 0.646 0.463 0.864 0.511 CB 1.547 89 residues pruned to eliminate duplicates Z: 73 48.030 2.331 0.616 0.517 0.958 0.583 CB 1.542 73 residues pruned to eliminate duplicates Z: 50 47.730 2.351 0.806 0.553 0.898 0.551 CA 1.699 50 residues pruned to eliminate duplicates Z: 84 47.066 2.282 0.670 0.533 0.892 0.675 CB 1.472 84 residues pruned to eliminate duplicates Z: 62 49.993 2.389 0.694 0.545 0.918 0.639 CB 1.648 62 residues pruned to eliminate duplicates Z: 75 44.851 2.307 0.606 0.500 0.905 0.581 CB 1.554 75 residues pruned to eliminate duplicates Z: 55 50.634 2.379 0.769 0.555 0.907 0.611 CB 1.711 55 residues pruned to eliminate duplicates Z: 62 50.353 2.369 0.708 0.540 0.918 0.541 CB 1.670 62 residues pruned to eliminate duplicates Z: 36 39.045 2.374 0.701 0.554 0.886 0.571 CA 1.750 36 residues pruned to eliminate duplicates Z: 63 55.328 2.389 0.780 0.549 0.919 0.645 CB 1.713 63 residues pruned to eliminate duplicates Z: 66 54.616 2.397 0.698 0.567 0.923 0.662 CB 1.690 66 residues pruned to eliminate duplicates Z: 121 58.225 2.315 0.542 0.550 0.908 0.608 CB 1.562 121 residues pruned to eliminate duplicates Z: 62 29.604 2.173 0.413 0.495 0.820 0.557 CB 1.512 62 residues pruned to eliminate duplicates Z: 18 17.212 2.401 0.372 0.437 0.824 0.471 CB 1.643 18 residues pruned to eliminate duplicates Z: 66 52.224 2.354 0.712 0.539 0.908 0.538 CB 1.703 66 residues pruned to eliminate duplicates Z: 65 57.685 2.334 0.840 0.564 0.938 0.641 CB 1.684 65 residues pruned to eliminate duplicates Z: 69 48.236 2.348 0.634 0.546 0.941 0.603 CB 1.549 69 residues pruned to eliminate duplicates Z: 84 46.889 2.287 0.556 0.524 0.892 0.578 CB 1.584 84 residues pruned to eliminate duplicates Z: 75 43.523 2.302 0.597 0.506 0.892 0.568 CB 1.534 75 residues pruned to eliminate duplicates Z: 107 55.505 2.336 0.601 0.560 0.896 0.623 CB 1.518 107 residues pruned to eliminate duplicates Z: 111 55.061 2.297 0.582 0.517 0.909 0.573 CB 1.562 111 residues pruned to eliminate duplicates Z: 114 58.019 2.323 0.441 0.569 0.947 0.646 CB 1.611 114 residues pruned to eliminate duplicates Z: 27 14.858 2.137 0.517 0.408 0.885 0.462 CB 1.119 27 residues pruned to eliminate duplicates Z: 71 44.596 2.327 0.579 0.522 0.929 0.500 CB 1.529 71 residues pruned to eliminate duplicates Z: 50 33.865 2.324 0.577 0.465 0.878 0.490 CB 1.558 50 residues pruned to eliminate duplicates Z: 21 11.222 2.146 0.208 0.443 0.800 0.550 CB 1.283 21 residues pruned to eliminate duplicates Z: 16 9.052 2.041 0.268 0.453 0.933 0.533 CB 1.016 16 residues pruned to eliminate duplicates Z: 78 40.335 2.243 0.359 0.566 0.935 0.636 CB 1.513 78 residues pruned to eliminate duplicates Z: 18 12.725 2.188 0.300 0.449 0.941 0.529 CB 1.216 18 residues pruned to eliminate duplicates Z: 18 13.285 2.188 0.247 0.453 0.941 0.529 CB 1.316 18 residues pruned to eliminate duplicates Z: 21 10.620 2.123 0.362 0.425 0.850 0.600 CB 1.044 21 residues pruned to eliminate duplicates Z: 15 10.015 2.138 0.121 0.485 1.000 0.643 CB 1.134 15 residues pruned to eliminate duplicates Z: 47 29.223 2.213 0.363 0.581 0.870 0.587 CB 1.520 47 residues pruned to eliminate duplicates Z: 31 15.943 2.161 0.387 0.422 0.900 0.667 CB 1.170 31 residues pruned to eliminate duplicates Z: 19 10.926 2.008 0.234 0.454 0.889 0.500 CB 1.226 19 residues pruned to eliminate duplicates Z: 31 17.336 2.127 0.340 0.440 0.900 0.500 CB 1.312 31 residues pruned to eliminate duplicates Z: 178 67.514 2.285 0.514 0.538 0.921 0.605 CB 1.535 178 residues pruned to eliminate duplicates Z: 64 37.062 2.290 0.396 0.570 0.905 0.556 CB 1.509 64 residues pruned to eliminate duplicates Z: 103 48.058 2.262 0.324 0.580 0.951 0.588 CB 1.548 103 residues pruned to eliminate duplicates Z: 115 47.747 2.244 0.336 0.553 0.939 0.605 CB 1.509 115 residues pruned to eliminate duplicates Z: 122 59.434 2.343 0.572 0.545 0.893 0.570 CB 1.572 122 residues pruned to eliminate duplicates Z: 96 50.014 2.287 0.535 0.546 0.884 0.558 CB 1.581 96 residues pruned to eliminate duplicates Z: 118 49.578 2.253 0.447 0.536 0.897 0.658 CB 1.513 118 residues pruned to eliminate duplicates Z: 62 33.107 2.291 0.278 0.572 0.885 0.574 CB 1.526 62 residues pruned to eliminate duplicates Z: 128 52.109 2.272 0.390 0.520 0.945 0.598 CB 1.519 128 residues pruned to eliminate duplicates Z: 178 68.209 2.288 0.505 0.544 0.904 0.599 CB 1.578 178 residues pruned to eliminate duplicates Z: 39 31.398 2.257 0.395 0.670 0.895 0.684 CB 1.546 39 residues pruned to eliminate duplicates Z: 102 44.814 2.221 0.422 0.545 0.891 0.614 CB 1.517 102 residues pruned to eliminate duplicates Z: 50 34.009 2.278 0.384 0.587 0.898 0.551 CB 1.579 50 residues pruned to eliminate duplicates Z: 158 51.450 2.231 0.421 0.485 0.885 0.548 CB 1.485 156 residues pruned to eliminate duplicates Z: 24 33.641 2.200 0.559 0.855 0.957 0.913 CB 1.578 24 residues pruned to eliminate duplicates Z: 58 35.605 2.287 0.370 0.592 0.912 0.667 CB 1.511 58 residues pruned to eliminate duplicates Z: 19 26.498 2.349 0.169 0.816 0.944 0.889 CB 1.830 19 residues pruned to eliminate duplicates Z: 116 56.347 2.288 0.535 0.551 0.913 0.583 CB 1.560 116 residues pruned to eliminate duplicates Z: 22 34.490 2.381 0.428 0.836 0.952 0.762 CB 1.739 22 residues pruned to eliminate duplicates Z: 131 50.481 2.275 0.405 0.502 0.877 0.538 CB 1.575 131 residues pruned to eliminate duplicates Z: 21 37.680 2.302 0.509 0.940 0.950 0.850 CB 1.773 21 residues pruned to eliminate duplicates Z: 132 64.328 2.329 0.559 0.589 0.916 0.565 CB 1.552 132 residues pruned to eliminate duplicates Z: 73 46.052 2.300 0.387 0.610 0.944 0.653 CB 1.622 73 residues pruned to eliminate duplicates Z: 171 68.184 2.309 0.539 0.561 0.894 0.541 CB 1.551 171 residues pruned to eliminate duplicates Z: 34 32.618 2.323 0.398 0.668 0.909 0.636 CB 1.646 34 residues pruned to eliminate duplicates Z: 89 48.863 2.227 0.499 0.571 0.966 0.636 CB 1.508 89 residues pruned to eliminate duplicates Z: 100 48.153 2.286 0.422 0.542 0.889 0.545 CB 1.607 100 residues pruned to eliminate duplicates Z: 112 47.792 2.264 0.401 0.528 0.919 0.631 CB 1.514 112 residues pruned to eliminate duplicates Z: 127 44.072 2.239 0.354 0.512 0.881 0.548 CB 1.452 127 residues pruned to eliminate duplicates Z: 117 46.657 2.234 0.411 0.511 0.914 0.603 CB 1.488 117 residues pruned to eliminate duplicates Z: 118 49.123 2.236 0.432 0.532 0.915 0.607 CB 1.503 118 residues pruned to eliminate duplicates Z: 33 35.478 2.336 0.534 0.650 0.938 0.469 CB 1.623 33 residues pruned to eliminate duplicates Z: 86 46.735 2.309 0.482 0.568 0.882 0.647 CB 1.573 86 residues pruned to eliminate duplicates Z: 38 38.424 2.280 0.643 0.661 0.919 0.595 CB 1.580 38 residues pruned to eliminate duplicates Z: 93 47.466 2.262 0.434 0.569 0.913 0.511 CB 1.563 93 residues pruned to eliminate duplicates Z: 117 58.992 2.333 0.573 0.555 0.905 0.509 CB 1.563 117 residues pruned to eliminate duplicates Z: 104 52.258 2.255 0.515 0.551 0.942 0.553 CB 1.523 104 residues pruned to eliminate duplicates Z: 146 60.047 2.299 0.467 0.542 0.924 0.524 CB 1.536 146 residues pruned to eliminate duplicates Z: 10 12.419 2.346 0.212 0.509 1.000 0.889 CA 1.443 10 residues pruned to eliminate duplicates Z: 127 53.690 2.292 0.477 0.511 0.921 0.476 CB 1.518 127 residues pruned to eliminate duplicates Z: 49 39.123 2.304 0.541 0.599 0.917 0.479 CB 1.578 49 residues pruned to eliminate duplicates Z: 84 52.819 2.328 0.504 0.578 0.964 0.578 CB 1.593 84 residues pruned to eliminate duplicates Z: 106 45.912 2.202 0.481 0.522 0.905 0.524 CB 1.486 106 residues pruned to eliminate duplicates Z: 66 34.344 2.264 0.404 0.464 0.892 0.569 CB 1.558 66 residues pruned to eliminate duplicates Z: 73 46.204 2.266 0.470 0.619 0.944 0.528 CB 1.547 73 residues pruned to eliminate duplicates Z: 132 52.562 2.265 0.444 0.500 0.916 0.511 CB 1.533 132 residues pruned to eliminate duplicates Z: 103 48.514 2.277 0.457 0.537 0.902 0.520 CB 1.548 103 residues pruned to eliminate duplicates Z: 112 51.446 2.270 0.504 0.522 0.910 0.577 CB 1.539 112 residues pruned to eliminate duplicates Z: 84 52.547 2.315 0.570 0.584 0.916 0.614 CB 1.598 84 residues pruned to eliminate duplicates Z: 184 69.872 2.254 0.623 0.525 0.896 0.568 CB 1.536 184 residues pruned to eliminate duplicates Z: 60 32.590 2.164 0.417 0.476 0.949 0.542 CB 1.494 60 residues pruned to eliminate duplicates Z: 128 53.913 2.281 0.468 0.523 0.921 0.583 CB 1.516 128 residues pruned to eliminate duplicates Z: 59 31.243 2.184 0.411 0.468 0.931 0.534 CB 1.477 59 residues pruned to eliminate duplicates Z: 96 44.679 2.285 0.379 0.565 0.884 0.516 CB 1.544 96 residues pruned to eliminate duplicates Z: 146 61.542 2.302 0.562 0.537 0.876 0.517 CB 1.564 146 residues pruned to eliminate duplicates Z: 167 71.768 2.318 0.597 0.548 0.922 0.548 CB 1.557 167 residues pruned to eliminate duplicates Z: 92 50.849 2.310 0.515 0.581 0.912 0.571 CB 1.545 92 residues pruned to eliminate duplicates Z: 182 72.481 2.278 0.540 0.544 0.934 0.541 CB 1.575 182 residues pruned to eliminate duplicates Z: 105 53.243 2.270 0.558 0.569 0.923 0.519 CB 1.496 105 residues pruned to eliminate duplicates Z: 66 37.656 2.267 0.528 0.487 0.908 0.492 CB 1.504 66 residues pruned to eliminate duplicates Z: 70 46.049 2.303 0.597 0.579 0.884 0.507 CB 1.580 70 residues pruned to eliminate duplicates Z: 86 49.212 2.294 0.551 0.581 0.894 0.553 CB 1.552 86 residues pruned to eliminate duplicates Z: 44 34.648 2.275 0.585 0.544 0.907 0.605 CB 1.548 44 residues pruned to eliminate duplicates Z: 58 34.074 2.240 0.475 0.485 0.895 0.509 CB 1.550 58 residues pruned to eliminate duplicates Z: 168 67.211 2.291 0.575 0.528 0.922 0.533 CB 1.520 168 residues pruned to eliminate duplicates Z: 85 53.069 2.304 0.653 0.568 0.929 0.583 CB 1.533 85 residues pruned to eliminate duplicates Z: 102 52.231 2.291 0.496 0.558 0.931 0.545 CB 1.540 102 residues pruned to eliminate duplicates Z: 153 62.493 2.276 0.566 0.527 0.908 0.454 CB 1.525 153 residues pruned to eliminate duplicates Z: 41 28.413 2.244 0.570 0.497 0.850 0.425 CB 1.506 41 residues pruned to eliminate duplicates Z: 86 55.371 2.294 0.629 0.573 0.941 0.565 CB 1.591 86 residues pruned to eliminate duplicates Z: 87 54.457 2.286 0.630 0.580 0.942 0.523 CB 1.549 87 residues pruned to eliminate duplicates Z: 69 36.281 2.228 0.394 0.475 0.956 0.574 CB 1.519 69 residues pruned to eliminate duplicates Z: 98 57.409 2.302 0.666 0.570 0.907 0.588 CB 1.567 98 residues pruned to eliminate duplicates Z: 155 63.530 2.295 0.543 0.530 0.922 0.539 CB 1.522 155 residues pruned to eliminate duplicates Z: 103 51.997 2.277 0.564 0.540 0.912 0.559 CB 1.524 103 residues pruned to eliminate duplicates Z: 32 15.569 1.990 0.305 0.361 0.935 0.613 CB 1.337 32 residues pruned to eliminate duplicates Z: 85 47.268 2.250 0.547 0.554 0.917 0.524 CB 1.534 85 residues pruned to eliminate duplicates Z: 115 51.204 2.228 0.523 0.540 0.930 0.491 CB 1.462 115 residues pruned to eliminate duplicates Z: 127 55.000 2.276 0.514 0.525 0.913 0.556 CB 1.520 127 residues pruned to eliminate duplicates Z: 47 34.523 2.209 0.643 0.500 0.935 0.522 CB 1.500 47 residues pruned to eliminate duplicates Z: 102 53.544 2.298 0.552 0.552 0.901 0.525 CB 1.575 102 residues pruned to eliminate duplicates Z: 68 37.633 2.223 0.541 0.454 0.910 0.552 CB 1.545 68 residues pruned to eliminate duplicates Z: 120 48.012 2.225 0.474 0.514 0.908 0.504 CB 1.458 120 residues pruned to eliminate duplicates Z: 127 56.538 2.294 0.527 0.523 0.921 0.484 CB 1.526 127 residues pruned to eliminate duplicates Z: 113 53.701 2.263 0.560 0.534 0.911 0.536 CB 1.526 113 residues pruned to eliminate duplicates Z: 115 52.357 2.258 0.569 0.536 0.886 0.509 CB 1.508 115 residues pruned to eliminate duplicates Z: 120 53.139 2.245 0.573 0.524 0.908 0.555 CB 1.484 120 residues pruned to eliminate duplicates Z: 113 53.277 2.268 0.531 0.540 0.920 0.554 CB 1.515 113 residues pruned to eliminate duplicates Z: 180 72.542 2.302 0.601 0.541 0.916 0.581 CB 1.542 180 residues pruned to eliminate duplicates Z: 113 55.660 2.262 0.530 0.562 0.946 0.562 CB 1.512 113 residues pruned to eliminate duplicates Z: 38 21.162 2.093 0.472 0.369 0.919 0.514 CB 1.414 38 residues pruned to eliminate duplicates Z: 88 45.322 2.264 0.519 0.535 0.885 0.529 CB 1.542 88 residues pruned to eliminate duplicates Z: 173 71.072 2.304 0.586 0.535 0.930 0.517 CB 1.540 173 residues pruned to eliminate duplicates Z: 180 71.271 2.295 0.585 0.540 0.899 0.581 CB 1.566 180 residues pruned to eliminate duplicates Z: 29 20.211 2.182 0.532 0.408 0.929 0.679 CB 1.355 29 residues pruned to eliminate duplicates Z: 21 19.037 2.249 0.551 0.461 0.850 0.650 CB 1.494 21 residues pruned to eliminate duplicates Z: 10 8.827 1.994 0.073 0.578 0.889 0.667 CB 1.435 10 residues pruned to eliminate duplicates Z: 36 24.376 2.064 0.233 0.657 0.914 0.657 CB 1.531 36 residues pruned to eliminate duplicates Z: 37 26.042 2.073 0.393 0.669 0.889 0.694 CB 1.446 37 residues pruned to eliminate duplicates Z: 37 28.160 2.095 0.394 0.673 0.944 0.750 CB 1.451 35 residues pruned to eliminate duplicates Z: 13 19.989 2.096 0.556 0.849 1.000 0.750 CB 1.312 15 residues pruned to eliminate duplicates Z: 13 19.143 2.111 0.395 0.863 1.000 0.750 CB 1.377 13 residues pruned to eliminate duplicates Z: 14 18.104 2.005 0.349 0.810 1.000 0.538 CB 1.417 14 residues pruned to eliminate duplicates Z: 36 29.956 2.123 0.457 0.658 0.943 0.571 CB 1.499 37 residues pruned to eliminate duplicates Z: 12 21.935 2.134 0.395 0.906 1.000 0.545 CB 1.579 12 residues pruned to eliminate duplicates Z: 37 28.059 2.076 0.391 0.652 0.944 0.583 CB 1.488 35 residues pruned to eliminate duplicates Z: 13 16.729 2.017 0.217 0.867 1.000 0.667 CB 1.439 13 residues pruned to eliminate duplicates Z: 37 23.893 2.059 0.315 0.658 0.917 0.639 CB 1.386 37 residues pruned to eliminate duplicates Z: 37 26.499 2.085 0.408 0.629 0.917 0.611 CB 1.453 37 residues pruned to eliminate duplicates Z: 23 21.741 2.055 0.217 0.830 1.000 0.909 CB 1.394 25 residues pruned to eliminate duplicates Z: 12 17.384 1.852 0.276 0.882 1.000 1.000 CB 1.605 12 residues pruned to eliminate duplicates Z: 37 27.235 2.090 0.363 0.663 0.944 0.639 CB 1.451 37 residues pruned to eliminate duplicates Z: 37 25.608 2.081 0.378 0.668 0.917 0.611 CB 1.391 37 residues pruned to eliminate duplicates Z: 37 27.922 2.079 0.473 0.653 0.917 0.694 CB 1.438 37 residues pruned to eliminate duplicates Z: 35 26.154 2.000 0.360 0.639 0.971 0.618 CB 1.492 35 residues pruned to eliminate duplicates Z: 37 28.394 2.071 0.460 0.651 0.944 0.639 CB 1.440 37 residues pruned to eliminate duplicates Z: 37 24.626 2.088 0.281 0.640 0.917 0.611 CB 1.468 37 residues pruned to eliminate duplicates Z: 39 28.085 2.030 0.424 0.629 0.921 0.553 CB 1.515 39 residues pruned to eliminate duplicates Z: 37 28.962 2.084 0.442 0.642 0.944 0.444 CB 1.489 35 residues pruned to eliminate duplicates Z: 14 18.055 1.916 0.421 0.689 1.000 0.692 CA 1.547 14 residues pruned to eliminate duplicates Z: 37 26.472 2.067 0.368 0.648 0.944 0.722 CB 1.439 37 residues pruned to eliminate duplicates Z: 6 3.314 1.599 0.262 0.304 1.000 0.800 CA 0.914 6 residues pruned to eliminate duplicates Z: 37 27.303 2.079 0.426 0.656 0.917 0.583 CB 1.448 37 residues pruned to eliminate duplicates Z: 37 29.728 2.058 0.547 0.675 0.944 0.639 CB 1.402 37 residues pruned to eliminate duplicates Z: 8 15.566 2.331 0.693 0.637 0.714 0.143 CB 1.835 8 residues pruned to eliminate duplicates Z: 36 30.181 2.116 0.440 0.684 0.943 0.657 CB 1.500 36 residues pruned to eliminate duplicates Z: 38 25.080 2.056 0.384 0.618 0.892 0.541 CB 1.453 38 residues pruned to eliminate duplicates Z: 37 28.041 2.086 0.380 0.635 0.944 0.639 CB 1.515 37 residues pruned to eliminate duplicates Z: 37 28.080 2.094 0.463 0.610 0.917 0.556 CB 1.502 37 residues pruned to eliminate duplicates Z: 7 14.408 2.098 0.617 0.517 1.000 0.167 CB 1.704 6 residues pruned to eliminate duplicates Z: 14 17.652 2.089 0.217 0.864 1.000 0.846 CB 1.412 15 residues pruned to eliminate duplicates Z: 13 19.068 2.173 0.443 0.872 0.917 0.750 CA 1.396 13 residues pruned to eliminate duplicates Z: 36 37.216 2.146 0.702 0.682 0.943 0.600 CB 1.545 36 residues pruned to eliminate duplicates Z: 13 22.754 2.178 0.643 0.873 0.917 0.667 CA 1.458 13 residues pruned to eliminate duplicates Z: 36 36.129 2.147 0.667 0.701 0.971 0.600 CB 1.463 37 residues pruned to eliminate duplicates Z: 13 21.213 2.184 0.576 0.884 0.917 0.750 CA 1.402 13 residues pruned to eliminate duplicates Z: 36 38.793 2.168 0.847 0.707 0.886 0.600 CB 1.532 36 residues pruned to eliminate duplicates Z: 13 22.688 2.181 0.486 0.898 1.000 0.750 CA 1.445 13 residues pruned to eliminate duplicates Z: 35 39.700 2.204 0.637 0.706 0.971 0.676 CB 1.612 35 residues pruned to eliminate duplicates Z: 35 41.119 2.202 0.695 0.707 1.000 0.529 CB 1.565 35 residues pruned to eliminate duplicates Z: 24 26.368 1.989 0.658 0.767 0.957 0.652 CB 1.375 24 residues pruned to eliminate duplicates Z: 35 35.791 2.175 0.736 0.716 0.882 0.588 CB 1.516 35 residues pruned to eliminate duplicates Z: 38 32.188 2.131 0.634 0.670 0.892 0.568 CB 1.456 38 residues pruned to eliminate duplicates Z: 36 35.198 2.181 0.600 0.708 0.943 0.600 CB 1.497 36 residues pruned to eliminate duplicates Z: 34 35.365 2.194 0.625 0.700 0.909 0.697 CB 1.584 34 residues pruned to eliminate duplicates Z: 36 34.959 2.158 0.544 0.689 0.971 0.571 CB 1.536 36 residues pruned to eliminate duplicates Z: 35 35.726 2.203 0.565 0.726 0.941 0.706 CB 1.541 35 residues pruned to eliminate duplicates Z: 36 34.302 2.170 0.521 0.694 0.943 0.686 CA 1.560 36 residues pruned to eliminate duplicates Z: 36 41.489 2.177 0.695 0.738 1.000 0.571 CB 1.535 36 residues pruned to eliminate duplicates Z: 35 34.975 2.186 0.641 0.682 0.912 0.559 CB 1.551 35 residues pruned to eliminate duplicates Z: 36 39.143 2.177 0.699 0.710 0.971 0.657 CB 1.522 36 residues pruned to eliminate duplicates Z: 36 35.586 2.155 0.642 0.686 0.943 0.629 CB 1.521 36 residues pruned to eliminate duplicates Z: 37 32.542 2.156 0.551 0.667 0.944 0.639 CB 1.471 37 residues pruned to eliminate duplicates Z: 36 37.424 2.186 0.700 0.730 0.943 0.629 CB 1.468 36 residues pruned to eliminate duplicates Z: 37 34.126 2.123 0.555 0.673 0.972 0.583 CA 1.510 37 residues pruned to eliminate duplicates Z: 37 34.832 2.133 0.562 0.664 1.000 0.667 CB 1.497 37 residues pruned to eliminate duplicates Z: 39 33.259 2.107 0.614 0.639 0.947 0.658 CB 1.471 39 residues pruned to eliminate duplicates Z: 36 39.339 2.162 0.674 0.690 1.000 0.629 CB 1.544 36 residues pruned to eliminate duplicates Z: 37 33.663 2.146 0.623 0.666 0.944 0.583 CB 1.463 37 residues pruned to eliminate duplicates Z: 37 40.510 2.141 0.758 0.700 0.972 0.583 CB 1.537 36 residues pruned to eliminate duplicates Z: 7 14.862 2.171 0.539 0.720 1.000 0.667 CA 1.488 7 residues pruned to eliminate duplicates Z: 35 36.028 2.186 0.653 0.683 0.941 0.618 CB 1.535 35 residues pruned to eliminate duplicates Z: 37 33.510 2.153 0.538 0.693 0.917 0.639 CB 1.543 37 residues pruned to eliminate duplicates Z: 32 27.739 2.222 0.522 0.597 0.935 0.710 CB 1.435 32 residues pruned to eliminate duplicates Z: 11 15.358 2.019 0.527 0.762 0.900 0.800 CB 1.387 10 residues pruned to eliminate duplicates Z: 6 9.570 1.932 0.887 0.326 1.000 0.800 CA 1.421 6 residues pruned to eliminate duplicates Z: 26 22.599 2.309 0.528 0.476 0.880 0.480 CB 1.492 26 residues pruned to eliminate duplicates Z: 67 43.907 2.280 0.509 0.538 0.939 0.591 CB 1.611 67 residues pruned to eliminate duplicates Z: 93 43.206 2.216 0.539 0.494 0.902 0.489 CB 1.473 93 residues pruned to eliminate duplicates Z: 27 23.573 2.278 0.557 0.474 0.846 0.500 CB 1.582 27 residues pruned to eliminate duplicates Z: 25 22.393 2.256 0.594 0.476 0.917 0.583 CB 1.422 25 residues pruned to eliminate duplicates Z: 65 43.975 2.311 0.475 0.572 0.953 0.594 CB 1.578 65 residues pruned to eliminate duplicates Z: 31 29.353 2.300 0.631 0.529 0.933 0.600 CB 1.488 31 residues pruned to eliminate duplicates Z: 55 38.873 2.292 0.415 0.572 0.944 0.685 CB 1.611 55 residues pruned to eliminate duplicates Z: 31 23.907 2.132 0.574 0.442 0.967 0.500 CB 1.428 31 residues pruned to eliminate duplicates Z: 47 36.698 2.300 0.362 0.594 0.957 0.609 CB 1.651 47 residues pruned to eliminate duplicates Z: 32 35.080 2.330 0.628 0.595 1.000 0.613 CB 1.517 32 residues pruned to eliminate duplicates Z: 24 16.655 2.242 0.503 0.515 0.783 0.565 CB 1.297 24 residues pruned to eliminate duplicates Z: 31 30.362 2.211 0.651 0.558 0.967 0.533 CB 1.484 32 residues pruned to eliminate duplicates Z: 13 30.802 2.397 0.667 0.906 1.000 0.667 CB 1.583 13 residues pruned to eliminate duplicates Z: 60 38.252 2.305 0.576 0.537 0.864 0.593 CB 1.529 60 residues pruned to eliminate duplicates Z: 29 19.081 2.097 0.701 0.429 0.857 0.429 CB 1.269 29 residues pruned to eliminate duplicates Z: 57 42.291 2.319 0.497 0.550 0.946 0.571 CB 1.637 57 residues pruned to eliminate duplicates Z: 64 44.688 2.281 0.584 0.570 0.937 0.651 CB 1.555 64 residues pruned to eliminate duplicates Z: 16 21.649 2.188 0.451 0.831 1.000 0.733 CB 1.322 16 residues pruned to eliminate duplicates Z: 49 37.375 2.267 0.515 0.530 0.979 0.542 CB 1.558 49 residues pruned to eliminate duplicates Z: 57 38.610 2.278 0.528 0.540 0.911 0.625 CB 1.565 57 residues pruned to eliminate duplicates Z: 97 44.371 2.203 0.458 0.511 0.938 0.469 CB 1.488 97 residues pruned to eliminate duplicates Z: 54 43.588 2.306 0.504 0.590 0.943 0.604 CB 1.678 54 residues pruned to eliminate duplicates Z: 122 49.956 2.198 0.454 0.525 0.901 0.554 CB 1.538 122 residues pruned to eliminate duplicates Z: 67 33.742 2.210 0.477 0.476 0.864 0.470 CB 1.509 67 residues pruned to eliminate duplicates Z: 98 41.817 2.210 0.482 0.494 0.887 0.598 CB 1.471 98 residues pruned to eliminate duplicates Z: 36 37.840 2.363 0.561 0.591 0.914 0.543 CB 1.738 36 residues pruned to eliminate duplicates Z: 27 27.750 2.206 0.497 0.557 0.962 0.538 CA 1.621 27 residues pruned to eliminate duplicates Z: 65 42.738 2.314 0.439 0.554 0.938 0.594 CB 1.623 65 residues pruned to eliminate duplicates Z: 39 32.003 2.247 0.551 0.499 0.895 0.500 CB 1.666 39 residues pruned to eliminate duplicates Z: 59 40.108 2.277 0.510 0.537 0.931 0.655 CB 1.586 59 residues pruned to eliminate duplicates Z: 38 38.360 2.271 0.637 0.556 0.946 0.649 CB 1.697 38 residues pruned to eliminate duplicates Z: 53 44.461 2.321 0.610 0.592 0.923 0.538 CB 1.636 53 residues pruned to eliminate duplicates Z: 64 45.979 2.283 0.575 0.551 0.952 0.619 CB 1.610 64 residues pruned to eliminate duplicates Z: 28 29.755 2.301 0.503 0.529 0.963 0.519 CA 1.672 28 residues pruned to eliminate duplicates Z: 65 42.361 2.284 0.469 0.555 0.922 0.656 CB 1.622 65 residues pruned to eliminate duplicates Z: 66 36.714 2.225 0.488 0.516 0.908 0.569 CB 1.491 66 residues pruned to eliminate duplicates Z: 70 43.189 2.208 0.578 0.534 0.957 0.580 CB 1.509 70 residues pruned to eliminate duplicates Z: 57 46.636 2.288 0.680 0.560 0.946 0.607 CB 1.616 57 residues pruned to eliminate duplicates Z: 65 49.283 2.298 0.657 0.568 0.938 0.594 CB 1.616 65 residues pruned to eliminate duplicates Z: 57 40.895 2.308 0.531 0.575 0.893 0.589 CB 1.612 57 residues pruned to eliminate duplicates Z: 57 40.396 2.266 0.568 0.549 0.929 0.411 CB 1.560 57 residues pruned to eliminate duplicates Z: 61 48.393 2.302 0.567 0.573 1.000 0.700 CB 1.615 61 residues pruned to eliminate duplicates Z: 65 48.618 2.331 0.597 0.583 0.922 0.719 CB 1.635 65 residues pruned to eliminate duplicates Z: 67 50.179 2.283 0.604 0.572 0.985 0.606 CB 1.598 67 residues pruned to eliminate duplicates Z: 61 44.878 2.272 0.519 0.576 0.967 0.600 CB 1.614 61 residues pruned to eliminate duplicates Z: 58 43.565 2.311 0.529 0.572 0.947 0.614 CB 1.609 58 residues pruned to eliminate duplicates Z: 37 38.364 2.218 0.728 0.571 0.944 0.500 CA 1.650 37 residues pruned to eliminate duplicates Z: 63 39.500 2.255 0.559 0.497 0.871 0.500 CB 1.643 63 residues pruned to eliminate duplicates Z: 65 51.083 2.310 0.730 0.570 0.953 0.594 CB 1.567 65 residues pruned to eliminate duplicates Z: 14 12.313 2.012 0.773 0.386 0.846 0.538 CB 1.277 14 residues pruned to eliminate duplicates Z: 63 50.588 2.313 0.818 0.566 0.935 0.565 CB 1.532 63 residues pruned to eliminate duplicates Z: 57 41.422 2.282 0.693 0.549 0.893 0.607 CB 1.530 57 residues pruned to eliminate duplicates Z: 90 48.109 2.213 0.523 0.546 0.933 0.517 CB 1.552 102 residues pruned to eliminate duplicates Z: 9 6.904 1.837 0.246 0.537 0.875 0.750 CB 1.174 9 residues pruned to eliminate duplicates Z: 66 30.699 2.156 0.399 0.525 0.877 0.615 CB 1.404 66 residues pruned to eliminate duplicates Z: 81 40.245 2.262 0.489 0.521 0.887 0.550 CB 1.475 81 residues pruned to eliminate duplicates Z: 101 42.068 2.185 0.531 0.495 0.880 0.500 CB 1.435 101 residues pruned to eliminate duplicates Z: 32 14.933 2.116 0.324 0.401 0.839 0.419 CB 1.267 32 residues pruned to eliminate duplicates Z: 35 15.449 2.061 0.360 0.392 0.882 0.353 CB 1.201 35 residues pruned to eliminate duplicates Z: 34 17.534 2.089 0.527 0.419 0.848 0.394 CB 1.227 34 residues pruned to eliminate duplicates Z: 23 13.131 2.080 0.363 0.418 0.864 0.500 CB 1.246 23 residues pruned to eliminate duplicates Z: 101 42.368 2.211 0.543 0.506 0.850 0.490 CB 1.452 101 residues pruned to eliminate duplicates Z: 69 36.137 2.222 0.432 0.488 0.926 0.485 CB 1.504 69 residues pruned to eliminate duplicates Z: 67 34.355 2.163 0.479 0.527 0.894 0.530 CB 1.441 67 residues pruned to eliminate duplicates Z: 34 16.977 2.118 0.464 0.417 0.818 0.424 CB 1.271 34 residues pruned to eliminate duplicates Z: 64 30.067 2.124 0.454 0.511 0.889 0.540 CB 1.364 64 residues pruned to eliminate duplicates Z: 92 38.388 2.082 0.460 0.527 0.945 0.626 CB 1.365 92 residues pruned to eliminate duplicates Z: 145 60.114 2.206 0.521 0.555 0.951 0.576 CB 1.487 145 residues pruned to eliminate duplicates Z: 97 46.902 2.236 0.610 0.496 0.896 0.438 CB 1.490 97 residues pruned to eliminate duplicates Z: 36 17.995 2.028 0.429 0.475 0.857 0.457 CB 1.256 36 residues pruned to eliminate duplicates Z: 33 19.583 2.102 0.486 0.443 0.938 0.500 CB 1.253 33 residues pruned to eliminate duplicates Z: 37 18.200 2.096 0.508 0.392 0.833 0.417 CB 1.291 37 residues pruned to eliminate duplicates Z: 48 22.281 2.087 0.536 0.415 0.851 0.362 CB 1.301 48 residues pruned to eliminate duplicates Z: 38 17.421 2.091 0.413 0.393 0.838 0.405 CB 1.296 38 residues pruned to eliminate duplicates Z: 97 42.784 2.239 0.525 0.513 0.885 0.521 CB 1.426 97 residues pruned to eliminate duplicates Z: 96 42.726 2.119 0.511 0.554 0.916 0.579 CB 1.419 96 residues pruned to eliminate duplicates Z: 156 57.060 2.207 0.499 0.545 0.884 0.548 CB 1.500 156 residues pruned to eliminate duplicates Z: 66 27.622 2.076 0.444 0.459 0.877 0.523 CB 1.359 66 residues pruned to eliminate duplicates Z: 42 24.461 2.128 0.525 0.543 0.854 0.537 CB 1.322 42 residues pruned to eliminate duplicates Z: 64 33.698 2.138 0.511 0.545 0.873 0.603 CB 1.440 64 residues pruned to eliminate duplicates Z: 51 38.593 2.161 0.658 0.583 0.920 0.560 CB 1.529 51 residues pruned to eliminate duplicates Z: 36 27.975 2.103 0.487 0.649 0.914 0.600 CB 1.440 36 residues pruned to eliminate duplicates Z: 97 41.263 2.155 0.514 0.496 0.896 0.552 CB 1.446 97 residues pruned to eliminate duplicates Z: 31 34.300 2.260 0.566 0.691 0.900 0.667 CB 1.651 31 residues pruned to eliminate duplicates Z: 24 32.188 2.174 0.551 0.856 0.913 0.870 CB 1.607 24 residues pruned to eliminate duplicates Z: 127 58.793 2.256 0.545 0.549 0.921 0.563 CB 1.555 127 residues pruned to eliminate duplicates Z: 37 30.794 2.106 0.623 0.647 0.944 0.583 CB 1.386 37 residues pruned to eliminate duplicates Z: 52 35.018 2.116 0.384 0.655 0.980 0.588 CB 1.479 52 residues pruned to eliminate duplicates Z: 63 38.797 2.137 0.520 0.607 0.919 0.581 CB 1.491 63 residues pruned to eliminate duplicates Z: 32 36.157 2.234 0.683 0.706 0.935 0.548 CB 1.531 32 residues pruned to eliminate duplicates Z: 25 29.709 2.098 0.888 0.775 0.875 0.458 CB 1.372 25 residues pruned to eliminate duplicates Z: 116 48.365 2.197 0.629 0.501 0.896 0.461 CB 1.405 116 residues pruned to eliminate duplicates Z: 81 38.575 2.162 0.597 0.518 0.863 0.550 CB 1.423 81 residues pruned to eliminate duplicates Z: 51 36.703 2.140 0.519 0.683 0.940 0.560 CB 1.436 51 residues pruned to eliminate duplicates Z: 47 38.694 2.125 0.668 0.678 0.935 0.543 CB 1.461 47 residues pruned to eliminate duplicates Z: 37 32.356 2.146 0.688 0.582 0.917 0.389 CB 1.501 37 residues pruned to eliminate duplicates Z: 35 31.861 2.161 0.725 0.691 0.824 0.500 CB 1.495 35 residues pruned to eliminate duplicates Z: 66 37.312 2.150 0.782 0.547 0.831 0.446 CB 1.388 66 residues pruned to eliminate duplicates Z: 51 34.594 2.108 0.477 0.685 0.920 0.680 CB 1.441 51 residues pruned to eliminate duplicates Z: 124 51.177 2.150 0.546 0.523 0.919 0.537 CB 1.478 124 residues pruned to eliminate duplicates Z: 24 32.812 2.238 0.731 0.660 0.957 0.435 CB 1.592 24 residues pruned to eliminate duplicates Z: 54 31.316 2.114 0.399 0.669 0.906 0.491 CB 1.374 54 residues pruned to eliminate duplicates Z: 53 40.467 2.166 0.580 0.660 0.923 0.500 CB 1.532 54 residues pruned to eliminate duplicates Z: 6 4.161 1.706 0.839 0.303 0.800 0.400 CA 0.924 6 residues pruned to eliminate duplicates Z: 62 38.058 2.126 0.480 0.634 0.902 0.492 CB 1.514 62 residues pruned to eliminate duplicates Z: 62 39.194 2.136 0.482 0.626 0.951 0.607 CB 1.481 62 residues pruned to eliminate duplicates Z: 40 21.702 2.037 0.255 0.531 0.923 0.718 CB 1.428 40 residues pruned to eliminate duplicates Z: 31 20.509 2.020 0.322 0.569 1.000 0.667 CB 1.312 31 residues pruned to eliminate duplicates Z: 30 20.204 2.076 0.249 0.554 0.931 0.621 CB 1.475 30 residues pruned to eliminate duplicates Z: 108 49.834 2.194 0.599 0.516 0.907 0.514 CB 1.491 108 residues pruned to eliminate duplicates Z: 57 36.730 2.133 0.506 0.627 0.911 0.500 CB 1.488 57 residues pruned to eliminate duplicates Z: 49 35.952 2.158 0.570 0.641 0.917 0.500 CB 1.464 49 residues pruned to eliminate duplicates Z: 73 40.244 2.092 0.572 0.607 0.944 0.472 CB 1.379 73 residues pruned to eliminate duplicates Z: 57 34.406 2.058 0.507 0.660 0.964 0.500 CB 1.326 57 residues pruned to eliminate duplicates Z: 50 37.762 2.129 0.601 0.645 0.939 0.510 CB 1.473 50 residues pruned to eliminate duplicates Z: 49 33.242 2.152 0.429 0.656 0.938 0.458 CB 1.439 49 residues pruned to eliminate duplicates Z: 27 19.081 2.126 0.185 0.633 0.923 0.615 CB 1.421 27 residues pruned to eliminate duplicates Z: 36 20.636 1.967 0.502 0.501 0.857 0.543 CB 1.376 36 residues pruned to eliminate duplicates Z: 153 59.856 2.203 0.565 0.535 0.908 0.474 CB 1.499 153 residues pruned to eliminate duplicates Z: 39 25.556 2.104 0.434 0.549 0.921 0.632 CB 1.422 39 residues pruned to eliminate duplicates Z: 96 43.122 2.135 0.535 0.552 0.926 0.484 CB 1.385 96 residues pruned to eliminate duplicates Z: 58 42.963 2.169 0.717 0.636 0.930 0.474 CB 1.447 58 residues pruned to eliminate duplicates Z: 96 42.623 2.092 0.606 0.540 0.926 0.400 CB 1.351 96 residues pruned to eliminate duplicates Z: 39 29.050 2.031 0.582 0.549 0.974 0.500 CB 1.436 39 residues pruned to eliminate duplicates Z: 56 42.979 2.172 0.699 0.641 0.927 0.545 CB 1.484 56 residues pruned to eliminate duplicates Z: 11 21.685 2.013 0.675 0.871 1.000 1.000 CB 1.484 11 residues pruned to eliminate duplicates Z: 19 27.901 2.207 0.699 0.661 1.000 0.667 CB 1.511 19 residues pruned to eliminate duplicates Z: 65 44.050 2.132 0.756 0.616 0.906 0.516 CB 1.453 65 residues pruned to eliminate duplicates Z: 17 20.950 1.914 0.763 0.782 1.000 0.562 CB 1.211 17 residues pruned to eliminate duplicates Z: 109 50.941 2.160 0.634 0.534 0.926 0.500 CB 1.450 109 residues pruned to eliminate duplicates Z: 40 29.520 2.098 0.540 0.536 0.949 0.590 CB 1.488 40 residues pruned to eliminate duplicates Z: 38 29.950 2.156 0.518 0.535 0.946 0.703 CB 1.535 38 residues pruned to eliminate duplicates Z: 60 42.442 2.147 0.676 0.614 0.949 0.559 CB 1.452 60 residues pruned to eliminate duplicates Z: 69 28.289 2.025 0.463 0.512 0.809 0.471 CB 1.415 69 residues pruned to eliminate duplicates Z: 60 42.057 2.176 0.631 0.644 0.932 0.593 CB 1.447 60 residues pruned to eliminate duplicates Z: 9 11.632 2.127 0.544 0.386 1.000 0.500 CA 1.414 9 residues pruned to eliminate duplicates Z: 19 20.333 2.187 0.567 0.506 1.000 0.778 CB 1.390 19 residues pruned to eliminate duplicates 6 1.903 1.558 -0.205 0.420 0.800 0.600 CA 0.934 ? Z: 9 15.968 1.937 0.708 0.592 1.000 0.500 CA 1.562 9 residues pruned to eliminate duplicates Z: 18 14.755 2.184 0.438 0.528 0.941 0.412 CB 1.178 18 residues pruned to eliminate duplicates Z: 13 11.151 2.037 0.495 0.477 0.833 0.333 CB 1.298 14 residues pruned to eliminate duplicates Z: 8 13.578 1.947 0.531 0.848 1.000 0.857 CB 1.278 8 residues pruned to eliminate duplicates Z: 14 13.411 2.170 0.268 0.550 0.846 0.846 CB 1.522 14 residues pruned to eliminate duplicates Z: 18 10.855 1.945 0.271 0.434 0.882 0.706 CB 1.293 18 residues pruned to eliminate duplicates Z: 39 17.462 1.949 0.166 0.517 0.895 0.658 CB 1.370 38 residues pruned to eliminate duplicates Z: 9 10.530 1.850 0.339 0.831 0.875 0.500 CB 1.291 9 residues pruned to eliminate duplicates Z: 10 12.879 2.166 0.317 0.623 0.889 0.667 CA 1.508 11 residues pruned to eliminate duplicates Z: 12 12.110 1.897 0.238 0.674 0.909 0.636 CA 1.457 12 residues pruned to eliminate duplicates Z: 36 14.659 1.934 0.172 0.423 0.857 0.486 CB 1.382 36 residues pruned to eliminate duplicates Z: 16 14.917 2.121 0.275 0.445 0.933 0.667 CB 1.615 16 residues pruned to eliminate duplicates Z: 39 18.989 1.932 0.220 0.541 0.921 0.632 CB 1.364 39 residues pruned to eliminate duplicates Z: 38 20.173 1.993 0.236 0.531 0.919 0.622 CB 1.421 38 residues pruned to eliminate duplicates Z: 32 18.113 1.962 0.288 0.506 0.903 0.548 CB 1.418 32 residues pruned to eliminate duplicates Z: 35 19.568 1.991 0.323 0.455 0.912 0.559 CB 1.463 34 residues pruned to eliminate duplicates 6 1.728 1.729 0.076 0.100 0.600 0.400 N 1.153 ? Z: 9 9.776 1.821 0.239 0.656 1.000 0.625 CB 1.324 9 residues pruned to eliminate duplicates Z: 32 20.219 1.941 0.317 0.553 0.968 0.710 CB 1.394 32 residues pruned to eliminate duplicates Z: 16 13.501 1.890 0.360 0.696 0.933 0.667 CB 1.214 16 residues pruned to eliminate duplicates Z: 19 12.457 1.758 0.402 0.673 0.944 0.667 CB 1.075 19 residues pruned to eliminate duplicates Z: 17 14.224 1.900 0.472 0.727 0.938 0.688 CB 1.105 17 residues pruned to eliminate duplicates Z: 18 16.200 1.839 0.654 0.699 0.941 0.588 CB 1.144 18 residues pruned to eliminate duplicates Z: 16 16.983 1.925 0.611 0.719 1.000 0.667 CB 1.159 16 residues pruned to eliminate duplicates Z: 17 14.981 1.908 0.490 0.733 0.938 0.625 CB 1.140 17 residues pruned to eliminate duplicates Z: 16 17.138 1.931 0.645 0.721 1.000 0.733 CB 1.140 16 residues pruned to eliminate duplicates Z: 17 15.583 1.906 0.476 0.684 0.938 0.688 CB 1.248 17 residues pruned to eliminate duplicates Z: 18 15.107 1.854 0.493 0.694 1.000 0.765 CB 1.109 18 residues pruned to eliminate duplicates Z: 18 16.028 1.829 0.626 0.653 1.000 0.588 CB 1.134 18 residues pruned to eliminate duplicates Z: 18 14.887 1.870 0.590 0.695 0.941 0.588 CB 1.080 18 residues pruned to eliminate duplicates Z: 22 25.380 2.167 0.767 0.499 0.905 0.571 CB 1.600 9 residues pruned to eliminate duplicates Z: 6 2.896 1.446 0.437 0.390 1.000 0.200 CA 0.700 6 residues pruned to eliminate duplicates Z: 22 22.550 2.152 0.624 0.486 0.905 0.571 CB 1.578 22 residues pruned to eliminate duplicates Z: 22 22.996 2.129 0.703 0.501 0.857 0.571 CB 1.613 22 residues pruned to eliminate duplicates Z: 20 19.750 2.167 0.609 0.517 0.842 0.526 CB 1.517 20 residues pruned to eliminate duplicates Z: 22 23.694 2.147 0.682 0.499 0.952 0.524 CB 1.505 22 residues pruned to eliminate duplicates Z: 22 22.548 2.155 0.675 0.473 0.857 0.619 CB 1.634 22 residues pruned to eliminate duplicates Z: 22 23.960 2.166 0.704 0.498 0.905 0.476 CB 1.569 22 residues pruned to eliminate duplicates Z: 17 22.158 2.276 0.658 0.402 0.938 0.500 CB 1.735 17 residues pruned to eliminate duplicates Z: 22 25.496 2.169 0.746 0.516 0.905 0.571 CB 1.599 22 residues pruned to eliminate duplicates Z: 13 13.949 1.923 0.538 0.616 0.833 0.417 CB 1.464 13 residues pruned to eliminate duplicates Z: 22 21.735 2.121 0.819 0.469 0.857 0.381 CB 1.480 22 residues pruned to eliminate duplicates Z: 23 21.499 2.081 0.875 0.452 0.818 0.500 CB 1.509 23 residues pruned to eliminate duplicates Z: 58 42.747 2.118 0.702 0.601 0.965 0.614 CB 1.479 57 residues pruned to eliminate duplicates Z: 8 18.480 1.907 0.686 0.874 1.000 0.286 N 1.581 8 residues pruned to eliminate duplicates Z: 21 31.845 2.241 0.899 0.555 0.950 0.500 CB 1.670 21 residues pruned to eliminate duplicates Z: 9 18.307 1.864 0.890 0.875 1.000 0.500 CB 1.336 9 residues pruned to eliminate duplicates Z: 10 25.127 2.217 0.765 0.739 1.000 0.667 CB 1.728 10 residues pruned to eliminate duplicates 488 residues left after pruning, divided into chains as follows: A: 13 B: 180 C: 181 D: 18 E: 15 F: 22 G: 59 CC for partial structure against native data = 33.50 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.299, Contrast = 0.446, Connect. = 0.747 for dens.mod. cycle 1 = 0.299, Contrast = 0.496, Connect. = 0.762 for dens.mod. cycle 2 = 0.299, Contrast = 0.633, Connect. = 0.800 for dens.mod. cycle 3 = 0.299, Contrast = 0.646, Connect. = 0.802 for dens.mod. cycle 4 = 0.299, Contrast = 0.661, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.669, Connect. = 0.805 for dens.mod. cycle 6 = 0.299, Contrast = 0.677, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.682, Connect. = 0.807 for dens.mod. cycle 8 = 0.299, Contrast = 0.687, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.691, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2827 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 574 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 39.454 2.313 0.633 0.931 0.950 0.550 CB 1.718 B: 50 23.367 2.117 0.241 0.504 0.878 0.612 CB 1.443 C: 16 25.120 2.128 0.681 0.771 0.867 0.733 CA 1.646 21 residues pruned to eliminate duplicates D: 15 28.764 2.288 0.703 0.918 0.929 0.786 CB 1.498 E: 15 26.685 2.164 0.959 0.906 0.929 0.714 CB 1.289 F: 15 23.166 2.308 0.176 0.859 1.000 0.857 CA 1.678 G: 22 38.127 2.270 0.650 0.890 0.952 0.762 CB 1.679 22 residues pruned to eliminate duplicates H: 21 36.448 2.269 0.542 0.901 0.950 0.800 CB 1.750 20 residues pruned to eliminate duplicates I: 14 34.103 2.394 0.953 0.901 1.000 0.538 CB 1.444 15 residues pruned to eliminate duplicates J: 22 38.204 2.242 0.654 0.922 0.952 0.619 CB 1.661 22 residues pruned to eliminate duplicates K: 33 16.024 1.904 0.236 0.512 0.906 0.562 CB 1.312 L: 20 33.793 2.338 0.459 0.930 0.895 0.895 CB 1.776 20 residues pruned to eliminate duplicates M: 22 25.035 2.148 0.818 0.519 0.857 0.667 CB 1.602 N: 77 34.951 2.168 0.520 0.496 0.882 0.487 CB 1.385 O: 14 22.904 2.267 0.449 0.939 1.000 0.923 CB 1.344 14 residues pruned to eliminate duplicates P: 15 24.667 2.255 0.452 0.905 1.000 0.786 CB 1.433 15 residues pruned to eliminate duplicates Q: 10 11.348 2.063 0.110 0.899 1.000 0.778 CB 1.181 R: 15 18.803 2.286 0.050 0.830 1.000 0.643 CA 1.573 15 residues pruned to eliminate duplicates S: 21 40.254 2.294 0.750 0.932 1.000 0.500 CB 1.566 21 residues pruned to eliminate duplicates T: 23 15.763 2.075 0.387 0.408 0.864 0.364 CB 1.488 23 residues pruned to eliminate duplicates U: 23 31.623 2.143 0.415 0.916 0.955 0.773 CB 1.645 23 residues pruned to eliminate duplicates V: 14 25.415 2.256 0.489 0.864 1.000 1.000 CB 1.538 14 residues pruned to eliminate duplicates W: 21 26.453 2.279 0.165 0.924 0.900 0.850 CB 1.738 21 residues pruned to eliminate duplicates X: 19 33.905 2.215 0.780 0.940 1.000 0.444 CB 1.408 19 residues pruned to eliminate duplicates Y: 14 32.418 2.267 0.734 0.926 1.000 0.846 CB 1.604 15 residues pruned to eliminate duplicates Z: 13 11.208 2.304 0.251 0.361 0.833 0.583 CB 1.564 13 residues pruned to eliminate duplicates Z: 22 37.352 2.231 0.485 0.924 1.000 0.762 CB 1.727 22 residues pruned to eliminate duplicates Z: 102 48.662 2.242 0.533 0.576 0.901 0.545 CB 1.453 36 residues pruned to eliminate duplicates Z: 22 33.264 2.140 0.698 0.898 0.952 0.476 CB 1.500 22 residues pruned to eliminate duplicates Z: 15 25.423 2.148 0.659 0.918 1.000 0.643 CB 1.344 15 residues pruned to eliminate duplicates Z: 175 71.254 2.322 0.581 0.532 0.908 0.552 CB 1.570 131 residues pruned to eliminate duplicates Z: 17 30.755 2.229 0.481 0.930 1.000 0.875 CB 1.629 17 residues pruned to eliminate duplicates Z: 14 15.066 2.199 0.030 0.842 0.923 0.692 CA 1.490 Z: 8 15.612 1.970 0.738 0.878 0.857 0.429 N 1.459 8 residues pruned to eliminate duplicates Z: 15 21.550 2.157 0.482 0.829 0.929 0.714 CA 1.460 14 residues pruned to eliminate duplicates Z: 114 53.789 2.240 0.570 0.559 0.894 0.593 CB 1.520 109 residues pruned to eliminate duplicates Z: 6 12.344 2.111 0.155 0.860 1.000 1.000 CA 1.665 Z: 77 43.399 2.345 0.556 0.510 0.882 0.566 CB 1.532 77 residues pruned to eliminate duplicates Z: 22 30.545 2.122 0.713 0.873 0.905 0.619 CB 1.477 22 residues pruned to eliminate duplicates Z: 115 60.684 2.343 0.565 0.583 0.921 0.596 CB 1.555 116 residues pruned to eliminate duplicates Z: 22 27.156 2.107 0.481 0.901 0.952 0.524 CB 1.422 22 residues pruned to eliminate duplicates Z: 22 37.456 2.297 0.469 0.909 0.952 0.667 CB 1.805 22 residues pruned to eliminate duplicates Z: 108 44.837 2.251 0.434 0.538 0.879 0.523 CB 1.472 108 residues pruned to eliminate duplicates Z: 14 15.272 2.060 0.124 0.889 1.000 0.846 CB 1.317 9 residues pruned to eliminate duplicates Z: 21 33.429 2.129 0.563 0.924 1.000 0.900 CB 1.577 21 residues pruned to eliminate duplicates Z: 64 39.367 2.233 0.493 0.548 0.905 0.540 CB 1.568 56 residues pruned to eliminate duplicates Z: 11 18.409 1.871 0.351 0.892 1.000 0.900 N 1.654 11 residues pruned to eliminate duplicates Z: 15 17.647 2.197 0.053 0.871 1.000 0.857 CA 1.487 15 residues pruned to eliminate duplicates Z: 58 40.243 2.228 0.572 0.514 0.912 0.509 CB 1.645 58 residues pruned to eliminate duplicates Z: 8 16.919 2.000 0.460 0.832 1.000 0.857 N 1.644 9 residues pruned to eliminate duplicates Z: 59 31.030 2.184 0.436 0.457 0.914 0.483 CB 1.486 10 residues pruned to eliminate duplicates Z: 14 42.452 2.428 1.153 0.922 1.000 0.923 CB 1.584 14 residues pruned to eliminate duplicates Z: 20 32.109 2.250 0.414 0.879 0.947 0.684 CA 1.772 20 residues pruned to eliminate duplicates Z: 14 31.330 2.294 0.937 0.844 0.923 0.615 CA 1.577 14 residues pruned to eliminate duplicates Z: 19 36.968 2.271 0.550 0.878 1.000 0.722 CA 1.795 19 residues pruned to eliminate duplicates Z: 16 31.368 2.188 0.818 0.903 1.000 0.600 CB 1.451 16 residues pruned to eliminate duplicates Z: 14 25.460 2.263 0.467 0.922 1.000 0.769 CB 1.497 14 residues pruned to eliminate duplicates Z: 13 16.539 2.064 0.138 0.892 1.000 0.833 CB 1.460 6 residues pruned to eliminate duplicates Z: 17 19.038 2.099 0.336 0.870 0.938 0.625 CB 1.322 17 residues pruned to eliminate duplicates Z: 75 33.890 2.171 0.536 0.436 0.865 0.378 CB 1.459 75 residues pruned to eliminate duplicates Z: 17 20.313 2.080 0.494 0.900 0.938 0.625 CB 1.244 17 residues pruned to eliminate duplicates Z: 60 36.122 2.119 0.544 0.611 0.915 0.542 CB 1.415 44 residues pruned to eliminate duplicates Z: 16 22.699 2.154 0.616 0.875 0.933 0.867 CA 1.312 16 residues pruned to eliminate duplicates Z: 6 12.607 1.962 0.929 0.618 1.000 0.800 CB 1.332 6 residues pruned to eliminate duplicates Z: 13 34.065 2.403 0.764 0.857 1.000 0.667 CA 1.711 13 residues pruned to eliminate duplicates Z: 146 62.971 2.204 0.567 0.572 0.959 0.510 CB 1.473 149 residues pruned to eliminate duplicates Z: 21 23.126 1.996 0.257 0.914 0.950 0.900 CB 1.534 21 residues pruned to eliminate duplicates Z: 14 29.773 2.425 0.560 0.814 0.923 0.769 CA 1.799 14 residues pruned to eliminate duplicates Z: 65 41.067 2.244 0.372 0.592 0.969 0.750 CB 1.576 65 residues pruned to eliminate duplicates Z: 31 28.488 2.279 0.573 0.604 0.900 0.767 CB 1.460 31 residues pruned to eliminate duplicates Z: 53 35.110 2.064 0.604 0.615 0.923 0.635 CB 1.429 21 residues pruned to eliminate duplicates Z: 11 16.866 1.850 0.292 0.896 1.000 0.800 N 1.598 11 residues pruned to eliminate duplicates Z: 14 14.436 2.019 0.258 0.824 0.923 0.692 CB 1.290 13 residues pruned to eliminate duplicates Z: 103 45.343 2.252 0.337 0.558 0.931 0.549 CB 1.513 103 residues pruned to eliminate duplicates Z: 8 8.363 1.883 0.330 0.614 0.857 0.429 CB 1.322 3 residues pruned to eliminate duplicates Z: 84 45.895 2.250 0.600 0.526 0.904 0.458 CB 1.508 84 residues pruned to eliminate duplicates Z: 12 22.179 1.987 0.884 0.892 0.909 0.455 CB 1.412 Z: 85 35.283 2.145 0.344 0.568 0.893 0.548 CB 1.401 85 residues pruned to eliminate duplicates Z: 22 32.251 2.238 0.296 0.916 1.000 0.810 CB 1.714 22 residues pruned to eliminate duplicates Z: 10 8.184 1.966 0.351 0.213 0.889 0.556 CA 1.620 10 residues pruned to eliminate duplicates Z: 14 22.730 2.283 0.388 0.821 0.846 0.462 CA 1.779 14 residues pruned to eliminate duplicates Z: 94 33.583 2.188 0.462 0.433 0.828 0.538 CB 1.409 94 residues pruned to eliminate duplicates Z: 55 49.918 2.376 0.718 0.579 0.944 0.481 CB 1.634 55 residues pruned to eliminate duplicates Z: 10 11.998 1.840 0.053 0.753 1.000 0.778 N 1.647 10 residues pruned to eliminate duplicates Z: 15 15.814 1.975 0.321 0.851 1.000 0.714 CB 1.199 15 residues pruned to eliminate duplicates Z: 21 31.066 2.089 0.541 0.914 0.950 0.800 CB 1.607 21 residues pruned to eliminate duplicates Z: 53 32.217 2.204 0.513 0.515 0.865 0.442 CB 1.525 53 residues pruned to eliminate duplicates Z: 10 8.448 2.182 0.275 0.718 0.667 0.333 CB 1.247 10 residues pruned to eliminate duplicates Z: 11 14.826 1.866 0.129 0.923 1.000 0.900 N 1.564 11 residues pruned to eliminate duplicates Z: 59 31.754 2.276 0.329 0.557 0.879 0.552 CB 1.483 59 residues pruned to eliminate duplicates Z: 25 14.603 2.128 0.226 0.493 0.917 0.500 CB 1.255 25 residues pruned to eliminate duplicates Z: 39 26.256 2.127 0.502 0.556 0.895 0.605 CB 1.411 39 residues pruned to eliminate duplicates Z: 21 44.641 2.232 0.787 0.891 1.000 0.600 CB 1.798 21 residues pruned to eliminate duplicates Z: 40 31.894 2.293 0.613 0.468 0.897 0.513 CB 1.590 40 residues pruned to eliminate duplicates Z: 9 7.970 1.900 0.572 0.812 0.750 0.625 CB 0.959 Z: 15 25.405 2.259 0.523 0.822 0.929 0.786 CA 1.608 15 residues pruned to eliminate duplicates Z: 182 74.269 2.286 0.585 0.551 0.956 0.564 CB 1.516 127 residues pruned to eliminate duplicates Z: 35 16.375 2.082 0.304 0.421 0.882 0.412 CB 1.273 35 residues pruned to eliminate duplicates Z: 65 43.260 2.276 0.502 0.528 0.953 0.531 CB 1.614 65 residues pruned to eliminate duplicates Z: 12 19.276 1.906 0.519 0.858 1.000 0.909 CB 1.479 12 residues pruned to eliminate duplicates Z: 16 20.239 2.049 0.473 0.847 1.000 0.467 CA 1.286 16 residues pruned to eliminate duplicates Z: 10 14.128 2.026 0.395 0.848 1.000 0.667 CB 1.236 10 residues pruned to eliminate duplicates Z: 6 4.689 1.837 -0.281 0.851 1.000 0.800 CA 1.174 6 residues pruned to eliminate duplicates Z: 6 5.397 1.863 0.429 0.791 0.600 0.600 CB 1.170 6 residues pruned to eliminate duplicates Z: 14 31.394 2.261 0.923 0.902 1.000 0.615 CB 1.428 14 residues pruned to eliminate duplicates Z: 14 34.421 2.402 1.057 0.898 0.923 0.769 CB 1.497 14 residues pruned to eliminate duplicates Z: 13 20.590 2.182 0.284 0.897 1.000 0.917 CB 1.518 13 residues pruned to eliminate duplicates Z: 15 16.848 2.175 0.329 0.554 0.929 0.643 CB 1.590 17 residues pruned to eliminate duplicates Z: 6 9.303 1.921 0.256 0.862 1.000 1.000 CA 1.266 5 residues pruned to eliminate duplicates Z: 12 18.035 1.910 0.551 0.867 1.000 0.909 CB 1.343 12 residues pruned to eliminate duplicates Z: 10 12.230 1.818 0.222 0.814 0.889 0.889 CB 1.571 10 residues pruned to eliminate duplicates Z: 14 34.621 2.377 0.911 0.905 1.000 0.538 CB 1.505 14 residues pruned to eliminate duplicates Z: 7 11.915 2.097 0.318 0.660 1.000 0.667 CB 1.516 7 residues pruned to eliminate duplicates Z: 16 26.350 2.173 0.559 0.865 1.000 0.800 CB 1.471 16 residues pruned to eliminate duplicates Z: 7 9.112 1.984 0.108 0.880 0.833 0.833 CB 1.472 7 residues pruned to eliminate duplicates Z: 14 22.593 2.306 0.246 0.882 1.000 0.923 CB 1.578 14 residues pruned to eliminate duplicates Z: 12 21.241 2.173 0.446 0.859 1.000 0.636 CB 1.500 12 residues pruned to eliminate duplicates Z: 22 34.060 2.260 0.607 0.893 0.857 0.571 CB 1.714 22 residues pruned to eliminate duplicates Z: 14 17.326 1.870 0.494 0.916 0.923 0.769 CA 1.316 14 residues pruned to eliminate duplicates Z: 14 25.340 2.166 1.225 0.846 0.769 0.308 CB 1.408 14 residues pruned to eliminate duplicates Z: 10 14.221 2.100 0.574 0.819 0.889 0.778 CB 1.223 10 residues pruned to eliminate duplicates Z: 14 13.204 2.003 -0.002 0.884 1.000 0.923 CB 1.323 14 residues pruned to eliminate duplicates Z: 6 3.802 1.768 -0.140 0.541 0.800 0.600 CB 1.343 6 residues pruned to eliminate duplicates Z: 10 8.863 1.925 0.413 0.590 0.778 0.556 CA 1.281 10 residues pruned to eliminate duplicates Z: 13 14.038 2.116 0.293 0.696 0.833 0.583 CB 1.487 13 residues pruned to eliminate duplicates Z: 9 14.813 1.691 0.666 0.853 1.000 0.750 N 1.374 9 residues pruned to eliminate duplicates Z: 33 19.006 2.183 0.446 0.374 0.938 0.438 CB 1.300 33 residues pruned to eliminate duplicates Z: 22 41.680 2.259 0.747 0.925 1.000 0.619 CB 1.617 22 residues pruned to eliminate duplicates Z: 10 14.265 2.172 0.234 0.829 1.000 0.778 CB 1.335 10 residues pruned to eliminate duplicates Z: 12 15.460 2.089 0.277 0.859 1.000 0.818 CB 1.286 12 residues pruned to eliminate duplicates Z: 6 10.529 1.994 0.585 0.693 1.000 1.000 CB 1.248 6 residues pruned to eliminate duplicates Z: 14 18.946 2.053 0.373 0.895 1.000 0.769 CB 1.336 14 residues pruned to eliminate duplicates Z: 10 12.669 2.078 0.356 0.880 0.778 0.556 CB 1.396 10 residues pruned to eliminate duplicates Z: 12 33.825 2.354 1.313 0.908 1.000 0.818 CB 1.331 12 residues pruned to eliminate duplicates Z: 9 13.709 2.091 0.392 0.884 1.000 0.750 CB 1.203 9 residues pruned to eliminate duplicates Z: 21 29.802 2.280 0.250 0.897 1.000 0.850 CB 1.674 21 residues pruned to eliminate duplicates Z: 90 37.936 2.108 0.388 0.547 0.910 0.562 CB 1.442 90 residues pruned to eliminate duplicates Z: 11 14.408 1.969 0.780 0.733 0.900 0.700 CA 1.171 11 residues pruned to eliminate duplicates Z: 9 12.740 2.186 0.343 0.748 1.000 0.375 CB 1.229 9 residues pruned to eliminate duplicates Z: 15 21.986 2.213 0.376 0.871 1.000 0.857 CA 1.408 15 residues pruned to eliminate duplicates Z: 14 22.171 1.936 0.565 0.918 1.000 0.692 CB 1.431 12 residues pruned to eliminate duplicates Z: 8 5.769 1.843 0.478 0.444 0.714 0.429 CB 1.186 8 residues pruned to eliminate duplicates Z: 55 39.510 2.265 0.570 0.579 0.907 0.574 CB 1.545 55 residues pruned to eliminate duplicates Z: 14 14.456 1.739 0.506 0.903 0.923 0.538 CB 1.182 14 residues pruned to eliminate duplicates Z: 57 36.693 2.227 0.541 0.505 0.946 0.589 CB 1.503 57 residues pruned to eliminate duplicates Z: 102 51.104 2.294 0.485 0.548 0.941 0.525 CB 1.514 102 residues pruned to eliminate duplicates Z: 14 22.438 1.919 0.699 0.911 1.000 0.846 CB 1.353 14 residues pruned to eliminate duplicates Z: 10 11.272 2.081 0.046 0.850 1.000 0.667 CB 1.279 10 residues pruned to eliminate duplicates Z: 21 25.397 2.179 0.627 0.548 0.950 0.700 CB 1.610 22 residues pruned to eliminate duplicates Z: 15 24.752 2.290 0.412 0.828 1.000 0.643 CA 1.540 15 residues pruned to eliminate duplicates Z: 15 25.937 2.228 0.535 0.901 1.000 1.000 CB 1.447 15 residues pruned to eliminate duplicates Z: 15 15.174 1.960 0.180 0.806 1.000 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 32 26.531 2.198 0.677 0.491 0.806 0.484 CB 1.618 32 residues pruned to eliminate duplicates Z: 106 48.144 2.235 0.517 0.508 0.895 0.524 CB 1.535 106 residues pruned to eliminate duplicates Z: 10 11.941 1.828 0.257 0.781 0.889 0.778 N 1.521 10 residues pruned to eliminate duplicates Z: 128 53.533 2.272 0.489 0.516 0.906 0.504 CB 1.527 128 residues pruned to eliminate duplicates Z: 18 18.678 2.252 0.379 0.545 0.941 0.588 CB 1.484 6 residues pruned to eliminate duplicates Z: 15 13.070 1.805 0.309 0.915 0.857 0.786 CB 1.218 15 residues pruned to eliminate duplicates Z: 14 18.082 2.023 0.206 0.914 1.000 1.000 CB 1.454 14 residues pruned to eliminate duplicates Z: 18 12.689 2.185 0.023 0.525 0.882 0.471 CB 1.523 18 residues pruned to eliminate duplicates Z: 162 63.243 2.330 0.448 0.554 0.907 0.590 CB 1.546 162 residues pruned to eliminate duplicates Z: 28 25.879 2.240 0.405 0.671 0.926 0.778 CB 1.460 28 residues pruned to eliminate duplicates Z: 40 27.248 2.101 0.404 0.574 0.949 0.667 CB 1.451 40 residues pruned to eliminate duplicates Z: 14 27.646 2.315 0.563 0.919 1.000 0.769 CB 1.494 14 residues pruned to eliminate duplicates Z: 14 13.642 2.043 0.163 0.797 0.923 0.692 CA 1.330 14 residues pruned to eliminate duplicates Z: 12 21.153 1.863 0.825 0.886 1.000 1.000 CB 1.354 12 residues pruned to eliminate duplicates Z: 14 11.483 2.035 0.021 0.877 0.923 0.615 CB 1.207 14 residues pruned to eliminate duplicates Z: 39 26.781 2.078 0.377 0.562 0.947 0.605 CB 1.508 39 residues pruned to eliminate duplicates Z: 6 7.162 1.767 0.507 0.716 1.000 0.400 CA 0.989 Z: 65 40.050 2.196 0.677 0.495 0.906 0.438 CB 1.509 65 residues pruned to eliminate duplicates Z: 15 18.313 2.039 0.402 0.910 1.000 0.643 CB 1.214 15 residues pruned to eliminate duplicates Z: 14 31.766 2.304 0.779 0.925 1.000 0.846 CB 1.509 14 residues pruned to eliminate duplicates Z: 14 12.843 1.841 0.114 0.905 1.000 0.846 CB 1.237 14 residues pruned to eliminate duplicates Z: 21 29.356 2.132 0.525 0.924 0.950 0.450 CB 1.492 21 residues pruned to eliminate duplicates Z: 11 18.141 1.913 0.603 0.921 0.900 0.400 CB 1.463 11 residues pruned to eliminate duplicates Z: 15 31.279 2.221 0.731 0.894 1.000 0.786 CB 1.560 15 residues pruned to eliminate duplicates Z: 11 13.572 1.994 0.416 0.683 1.000 0.800 CB 1.284 11 residues pruned to eliminate duplicates Z: 50 39.395 2.283 0.530 0.606 0.939 0.449 CB 1.552 50 residues pruned to eliminate duplicates Z: 106 51.315 2.243 0.535 0.543 0.933 0.571 CB 1.494 112 residues pruned to eliminate duplicates Z: 16 19.940 1.932 0.354 0.896 1.000 0.933 CB 1.410 16 residues pruned to eliminate duplicates Z: 21 22.533 2.000 0.350 0.895 0.950 0.850 CB 1.408 21 residues pruned to eliminate duplicates Z: 47 23.490 2.144 0.498 0.377 0.848 0.500 CB 1.451 47 residues pruned to eliminate duplicates Z: 39 29.556 2.103 0.569 0.576 0.947 0.684 CB 1.426 39 residues pruned to eliminate duplicates Z: 15 15.551 1.850 0.454 0.903 0.857 0.643 CB 1.286 16 residues pruned to eliminate duplicates Z: 13 15.796 2.101 0.358 0.872 0.917 0.750 CB 1.271 13 residues pruned to eliminate duplicates Z: 13 15.443 2.083 0.168 0.890 1.000 0.667 CB 1.318 13 residues pruned to eliminate duplicates Z: 36 38.974 2.162 0.732 0.715 0.943 0.429 CB 1.536 36 residues pruned to eliminate duplicates Z: 69 38.400 2.170 0.442 0.566 0.912 0.559 CB 1.531 69 residues pruned to eliminate duplicates Z: 27 37.374 2.326 0.915 0.621 0.962 0.654 CB 1.527 27 residues pruned to eliminate duplicates Z: 14 15.267 1.902 0.310 0.879 0.923 0.923 CA 1.335 14 residues pruned to eliminate duplicates Z: 53 31.421 2.111 0.635 0.556 0.846 0.462 CB 1.413 53 residues pruned to eliminate duplicates Z: 36 36.526 2.129 0.580 0.702 1.000 0.600 CA 1.526 36 residues pruned to eliminate duplicates Z: 13 21.408 2.160 0.417 0.902 1.000 0.833 CB 1.440 13 residues pruned to eliminate duplicates Z: 114 58.272 2.267 0.603 0.555 0.938 0.540 CB 1.524 114 residues pruned to eliminate duplicates Z: 77 33.231 2.148 0.475 0.499 0.842 0.513 CB 1.429 77 residues pruned to eliminate duplicates Z: 13 22.607 1.836 0.811 0.892 1.000 0.750 CB 1.411 13 residues pruned to eliminate duplicates Z: 13 21.371 2.149 0.512 0.859 1.000 0.750 CA 1.397 13 residues pruned to eliminate duplicates Z: 71 37.082 2.249 0.559 0.515 0.829 0.471 CB 1.503 71 residues pruned to eliminate duplicates Z: 25 15.742 2.150 0.187 0.478 0.875 0.500 CB 1.471 25 residues pruned to eliminate duplicates Z: 10 15.079 1.976 0.861 0.639 0.889 0.778 CB 1.350 9 residues pruned to eliminate duplicates Z: 11 16.175 1.806 0.284 0.860 1.000 0.800 CB 1.623 11 residues pruned to eliminate duplicates Z: 45 24.866 2.146 0.394 0.460 0.955 0.523 CB 1.368 45 residues pruned to eliminate duplicates Z: 13 16.442 2.055 0.344 0.878 1.000 0.917 CB 1.247 13 residues pruned to eliminate duplicates Z: 9 12.687 1.717 0.580 0.826 0.875 0.750 N 1.426 9 residues pruned to eliminate duplicates Z: 30 21.112 2.136 0.412 0.517 0.862 0.586 CA 1.483 30 residues pruned to eliminate duplicates Z: 10 20.479 2.122 0.757 0.852 1.000 0.889 CA 1.354 10 residues pruned to eliminate duplicates Z: 61 37.371 2.138 0.612 0.615 0.917 0.500 CB 1.369 61 residues pruned to eliminate duplicates Z: 11 18.534 1.981 0.699 0.917 0.900 0.900 CB 1.366 11 residues pruned to eliminate duplicates Z: 6 4.783 1.727 0.201 0.643 0.800 0.800 CB 1.128 6 residues pruned to eliminate duplicates Z: 14 15.816 2.068 0.172 0.839 1.000 0.769 CB 1.353 14 residues pruned to eliminate duplicates Z: 29 24.438 2.224 0.538 0.663 0.786 0.714 CB 1.478 29 residues pruned to eliminate duplicates Z: 12 11.166 1.857 0.163 0.853 1.000 0.909 CA 1.152 12 residues pruned to eliminate duplicates Z: 15 16.210 2.155 0.258 0.843 0.929 0.714 CA 1.282 15 residues pruned to eliminate duplicates Z: 11 17.310 1.778 0.512 0.891 1.000 0.700 N 1.464 11 residues pruned to eliminate duplicates Z: 21 27.417 2.214 0.609 0.653 0.950 0.700 CB 1.572 21 residues pruned to eliminate duplicates Z: 13 18.188 2.126 0.490 0.859 0.833 0.750 CA 1.464 13 residues pruned to eliminate duplicates Z: 15 20.464 2.023 0.596 0.886 1.000 0.857 CB 1.223 15 residues pruned to eliminate duplicates Z: 67 34.875 2.246 0.479 0.477 0.894 0.485 CB 1.479 67 residues pruned to eliminate duplicates Z: 12 13.557 2.116 -0.132 0.919 1.000 0.909 CB 1.568 12 residues pruned to eliminate duplicates Z: 39 29.168 2.145 0.586 0.489 0.895 0.553 CA 1.572 39 residues pruned to eliminate duplicates Z: 13 20.666 2.033 0.564 0.885 1.000 0.750 CB 1.354 13 residues pruned to eliminate duplicates Z: 13 15.307 1.778 0.450 0.871 1.000 0.833 CB 1.251 13 residues pruned to eliminate duplicates Z: 9 8.819 1.734 0.252 0.877 0.875 0.750 CB 1.192 9 residues pruned to eliminate duplicates Z: 6 7.532 2.279 0.167 0.456 1.000 0.800 CB 1.325 6 residues pruned to eliminate duplicates Z: 7 3.736 1.839 -0.087 0.457 1.000 0.667 CB 0.949 7 residues pruned to eliminate duplicates Z: 18 22.030 2.235 0.516 0.509 1.000 0.765 CB 1.564 18 residues pruned to eliminate duplicates Z: 6 5.725 2.027 0.114 0.618 0.800 0.800 CA 1.268 6 residues pruned to eliminate duplicates Z: 21 14.405 2.025 0.394 0.455 0.950 0.600 CB 1.259 21 residues pruned to eliminate duplicates Z: 10 9.624 1.780 0.177 0.884 1.000 0.444 CB 1.107 10 residues pruned to eliminate duplicates Z: 14 17.223 2.040 0.396 0.898 1.000 0.692 CB 1.200 14 residues pruned to eliminate duplicates Z: 15 36.109 2.253 0.803 0.850 1.000 0.500 CA 1.760 15 residues pruned to eliminate duplicates Z: 10 13.401 1.783 0.625 0.821 1.000 0.444 CB 1.168 10 residues pruned to eliminate duplicates Z: 9 11.123 2.036 0.401 0.628 0.875 0.875 CB 1.398 9 residues pruned to eliminate duplicates Z: 15 16.221 1.781 0.399 0.902 1.000 0.857 CB 1.241 15 residues pruned to eliminate duplicates Z: 39 30.854 2.184 0.700 0.564 0.921 0.711 CB 1.375 39 residues pruned to eliminate duplicates Z: 12 14.017 1.861 0.364 0.874 1.000 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 20 28.603 2.121 0.508 0.915 1.000 0.368 CB 1.450 20 residues pruned to eliminate duplicates Z: 9 11.498 1.871 0.206 0.859 1.000 0.750 CB 1.325 9 residues pruned to eliminate duplicates Z: 15 16.950 1.777 0.394 0.882 1.000 0.857 CB 1.323 15 residues pruned to eliminate duplicates Z: 57 38.154 2.229 0.621 0.553 0.875 0.482 CB 1.531 57 residues pruned to eliminate duplicates Z: 89 47.686 2.265 0.398 0.583 0.943 0.557 CB 1.571 89 residues pruned to eliminate duplicates Z: 13 22.146 1.992 0.529 0.930 1.000 0.917 CB 1.468 13 residues pruned to eliminate duplicates Z: 6 7.200 1.957 0.326 0.834 0.800 0.600 CB 1.163 6 residues pruned to eliminate duplicates Z: 15 9.438 2.030 0.306 0.344 0.786 0.571 CB 1.435 15 residues pruned to eliminate duplicates Z: 11 17.270 1.906 0.629 0.924 0.900 0.300 CB 1.372 11 residues pruned to eliminate duplicates Z: 11 18.679 1.868 0.378 0.892 1.000 0.900 CB 1.649 11 residues pruned to eliminate duplicates Z: 6 8.646 2.032 0.102 0.591 1.000 1.000 CA 1.583 6 residues pruned to eliminate duplicates Z: 19 12.181 1.880 0.415 0.503 0.889 0.389 CB 1.211 19 residues pruned to eliminate duplicates Z: 9 10.598 2.033 -0.004 0.917 1.000 0.875 CB 1.307 9 residues pruned to eliminate duplicates Z: 40 21.876 2.134 0.487 0.466 0.897 0.487 CB 1.274 40 residues pruned to eliminate duplicates Z: 14 12.820 1.768 0.562 0.862 0.846 0.462 CB 1.117 14 residues pruned to eliminate duplicates Z: 15 20.822 1.945 0.672 0.869 1.000 0.786 CB 1.250 15 residues pruned to eliminate duplicates Z: 7 7.498 1.756 0.463 0.505 0.833 0.500 CA 1.423 7 residues pruned to eliminate duplicates Z: 20 18.913 2.292 0.134 0.667 0.947 0.842 CB 1.510 20 residues pruned to eliminate duplicates Z: 12 12.127 1.811 0.230 0.827 1.000 0.636 CB 1.237 12 residues pruned to eliminate duplicates Z: 18 19.410 2.216 0.401 0.549 1.000 0.588 CB 1.446 18 residues pruned to eliminate duplicates Z: 20 26.660 2.096 0.437 0.895 0.947 0.737 CA 1.536 20 residues pruned to eliminate duplicates Z: 9 10.211 1.850 0.160 0.860 0.875 0.875 CB 1.414 9 residues pruned to eliminate duplicates Z: 15 18.056 1.946 0.520 0.814 0.929 0.714 CB 1.337 15 residues pruned to eliminate duplicates Z: 11 6.062 2.156 0.063 0.290 0.700 0.500 CB 1.513 11 residues pruned to eliminate duplicates Z: 36 36.379 2.135 0.598 0.706 0.971 0.629 CB 1.539 36 residues pruned to eliminate duplicates Z: 119 54.581 2.210 0.645 0.535 0.898 0.449 CB 1.487 119 residues pruned to eliminate duplicates Z: 19 17.579 1.962 0.399 0.658 1.000 0.667 CB 1.303 19 residues pruned to eliminate duplicates Z: 6 4.991 1.458 0.469 0.727 1.000 1.000 CA 0.849 6 residues pruned to eliminate duplicates Z: 22 28.644 2.128 0.350 0.883 1.000 0.714 CB 1.573 22 residues pruned to eliminate duplicates Z: 12 19.430 2.131 0.413 0.864 1.000 0.818 CA 1.426 12 residues pruned to eliminate duplicates Z: 88 42.585 2.301 0.482 0.502 0.885 0.517 CB 1.511 88 residues pruned to eliminate duplicates Z: 14 17.281 1.787 0.745 0.904 1.000 0.615 CB 1.095 13 residues pruned to eliminate duplicates Z: 9 11.156 2.028 0.163 0.863 0.875 0.500 CB 1.402 9 residues pruned to eliminate duplicates Z: 13 13.558 1.999 0.320 0.872 0.917 0.667 CA 1.180 13 residues pruned to eliminate duplicates Z: 14 13.476 1.892 0.416 0.860 0.769 0.615 CB 1.332 14 residues pruned to eliminate duplicates Z: 14 22.190 2.055 0.885 0.932 1.000 0.615 CB 1.110 14 residues pruned to eliminate duplicates Z: 14 21.142 2.238 0.272 0.859 1.000 0.923 CA 1.516 14 residues pruned to eliminate duplicates Z: 6 5.693 2.106 -0.180 0.814 0.800 0.600 CB 1.402 6 residues pruned to eliminate duplicates Z: 14 18.734 1.926 0.331 0.920 1.000 0.692 CB 1.427 14 residues pruned to eliminate duplicates Z: 15 21.022 1.949 0.759 0.922 1.000 0.643 CB 1.152 15 residues pruned to eliminate duplicates Z: 12 19.248 1.918 0.436 0.902 1.000 0.727 N 1.504 12 residues pruned to eliminate duplicates Z: 8 7.808 1.732 0.452 0.627 1.000 0.571 CB 1.041 8 residues pruned to eliminate duplicates Z: 60 43.601 2.264 0.632 0.518 0.915 0.492 CA 1.649 60 residues pruned to eliminate duplicates Z: 10 14.234 2.022 0.584 0.802 1.000 0.778 CA 1.138 10 residues pruned to eliminate duplicates Z: 12 9.697 2.039 -0.056 0.914 1.000 0.818 CB 1.074 12 residues pruned to eliminate duplicates Z: 12 20.630 2.044 0.616 0.903 1.000 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 15 26.838 2.184 0.407 0.867 1.000 0.857 CB 1.709 15 residues pruned to eliminate duplicates Z: 16 20.582 2.133 0.267 0.916 1.000 1.000 CB 1.389 16 residues pruned to eliminate duplicates 7 1.559 1.545 0.244 0.083 0.500 0.500 C 1.136 ? Z: 7 3.738 1.680 0.055 0.369 0.833 0.667 CA 1.189 Z: 24 9.763 1.756 0.214 0.396 0.870 0.609 CB 1.226 24 residues pruned to eliminate duplicates Z: 12 5.362 1.784 0.123 0.388 0.909 0.455 CB 0.999 12 residues pruned to eliminate duplicates Z: 9 16.423 2.067 0.626 0.823 1.000 0.125 CB 1.306 9 residues pruned to eliminate duplicates Z: 8 7.451 1.786 0.268 0.824 0.714 0.714 CB 1.314 8 residues pruned to eliminate duplicates Z: 11 12.515 2.098 0.457 0.434 0.900 0.800 CB 1.541 11 residues pruned to eliminate duplicates Z: 21 24.802 2.122 0.625 0.510 0.950 0.600 CB 1.676 23 residues pruned to eliminate duplicates Z: 6 2.455 1.513 -0.081 0.649 0.800 0.600 CB 0.858 Z: 33 16.908 2.202 0.309 0.389 0.906 0.438 CB 1.287 33 residues pruned to eliminate duplicates Z: 14 14.296 1.964 0.296 0.829 1.000 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 113 55.183 2.288 0.534 0.551 0.929 0.545 CB 1.521 113 residues pruned to eliminate duplicates Z: 58 46.089 2.406 0.645 0.556 0.895 0.561 CB 1.633 58 residues pruned to eliminate duplicates Z: 13 10.680 1.968 -0.119 0.927 1.000 0.917 CB 1.246 13 residues pruned to eliminate duplicates Z: 121 47.490 2.181 0.459 0.557 0.875 0.542 CB 1.473 121 residues pruned to eliminate duplicates Z: 10 12.264 1.773 0.381 0.838 1.000 0.778 CB 1.248 10 residues pruned to eliminate duplicates Z: 98 38.121 2.166 0.521 0.470 0.835 0.402 CB 1.451 98 residues pruned to eliminate duplicates Z: 13 16.769 1.820 0.439 0.830 1.000 0.583 CB 1.390 13 residues pruned to eliminate duplicates Z: 14 21.206 2.242 0.405 0.851 0.923 0.462 CA 1.497 14 residues pruned to eliminate duplicates Z: 49 24.302 2.105 0.423 0.455 0.854 0.625 CB 1.436 49 residues pruned to eliminate duplicates Z: 31 29.560 2.205 0.628 0.552 0.967 0.633 CB 1.479 31 residues pruned to eliminate duplicates Z: 8 8.007 1.783 0.267 0.790 0.857 0.714 CB 1.211 8 residues pruned to eliminate duplicates Z: 13 10.273 1.700 0.044 0.857 1.000 0.917 CB 1.231 13 residues pruned to eliminate duplicates Z: 14 36.220 2.444 0.762 0.807 1.000 0.462 CA 1.784 14 residues pruned to eliminate duplicates Z: 67 37.368 2.241 0.509 0.484 0.894 0.576 CB 1.547 67 residues pruned to eliminate duplicates Z: 13 15.924 1.824 0.475 0.882 1.000 0.917 CB 1.236 14 residues pruned to eliminate duplicates Z: 21 38.702 2.258 0.551 0.937 1.000 0.600 CB 1.719 21 residues pruned to eliminate duplicates Z: 83 47.965 2.326 0.545 0.542 0.927 0.585 CB 1.526 83 residues pruned to eliminate duplicates Z: 52 27.487 2.086 0.535 0.516 0.922 0.412 CB 1.284 52 residues pruned to eliminate duplicates Z: 10 11.931 2.033 0.339 0.518 1.000 0.667 CA 1.434 10 residues pruned to eliminate duplicates Z: 14 28.228 2.148 0.724 0.897 1.000 0.538 CA 1.514 14 residues pruned to eliminate duplicates Z: 14 15.082 1.989 0.369 0.833 0.923 0.692 CB 1.248 14 residues pruned to eliminate duplicates Z: 80 43.481 2.316 0.536 0.519 0.886 0.620 CB 1.523 80 residues pruned to eliminate duplicates Z: 7 8.262 1.855 0.241 0.834 0.833 0.500 CB 1.319 7 residues pruned to eliminate duplicates Z: 17 12.595 1.950 0.235 0.767 0.812 0.750 CA 1.270 17 residues pruned to eliminate duplicates Z: 10 15.424 2.243 0.262 0.766 0.889 0.778 CA 1.614 10 residues pruned to eliminate duplicates Z: 13 28.662 2.187 1.013 0.917 0.917 0.417 CB 1.447 13 residues pruned to eliminate duplicates Z: 13 39.661 2.321 1.415 0.941 1.000 1.000 CB 1.418 13 residues pruned to eliminate duplicates Z: 28 32.252 2.124 0.625 0.761 0.963 0.778 CB 1.481 28 residues pruned to eliminate duplicates Z: 19 16.081 2.015 0.656 0.483 0.889 0.500 CB 1.300 19 residues pruned to eliminate duplicates Z: 34 30.952 2.069 0.519 0.696 0.970 0.636 CB 1.478 34 residues pruned to eliminate duplicates Z: 23 11.290 1.882 0.345 0.377 0.818 0.364 CB 1.326 23 residues pruned to eliminate duplicates Z: 49 29.635 2.157 0.374 0.549 0.917 0.562 CB 1.501 49 residues pruned to eliminate duplicates Z: 15 29.139 2.199 0.889 0.901 0.857 0.643 CB 1.561 15 residues pruned to eliminate duplicates Z: 7 9.482 1.820 0.508 0.482 1.000 0.667 CB 1.436 7 residues pruned to eliminate duplicates Z: 95 50.588 2.300 0.452 0.568 0.926 0.596 CB 1.581 95 residues pruned to eliminate duplicates Z: 53 29.711 2.132 0.492 0.535 0.904 0.519 CB 1.384 53 residues pruned to eliminate duplicates Z: 9 4.340 1.555 0.013 0.464 1.000 0.875 CB 1.011 Z: 66 31.702 2.160 0.516 0.509 0.862 0.385 CB 1.381 66 residues pruned to eliminate duplicates Z: 33 30.721 2.158 0.460 0.714 0.938 0.625 CB 1.515 33 residues pruned to eliminate duplicates Z: 10 17.409 1.704 0.837 0.855 1.000 0.778 N 1.368 10 residues pruned to eliminate duplicates Z: 16 17.985 1.912 0.631 0.872 1.000 0.600 CB 1.085 16 residues pruned to eliminate duplicates Z: 37 26.659 1.998 0.511 0.665 0.917 0.528 CB 1.378 36 residues pruned to eliminate duplicates Z: 36 34.522 2.140 0.615 0.698 0.943 0.629 CB 1.495 36 residues pruned to eliminate duplicates Z: 14 26.828 2.241 0.589 0.888 0.923 0.769 CB 1.631 14 residues pruned to eliminate duplicates Z: 13 7.966 1.922 0.403 0.443 0.750 0.583 CB 1.207 13 residues pruned to eliminate duplicates Z: 6 6.728 1.675 0.216 0.612 1.000 0.600 N 1.328 6 residues pruned to eliminate duplicates Z: 6 6.273 1.708 0.186 0.740 0.800 0.600 N 1.396 6 residues pruned to eliminate duplicates Z: 12 16.985 2.129 0.539 0.636 0.909 0.818 CA 1.513 12 residues pruned to eliminate duplicates Z: 9 7.536 1.839 0.452 0.608 0.750 0.625 CB 1.201 9 residues pruned to eliminate duplicates Z: 14 30.439 2.197 0.684 0.937 1.000 0.692 CB 1.589 14 residues pruned to eliminate duplicates Z: 8 15.966 1.939 0.516 0.871 1.000 0.857 CB 1.497 8 residues pruned to eliminate duplicates Z: 7 8.836 1.761 0.351 0.754 1.000 0.667 CB 1.209 7 residues pruned to eliminate duplicates Z: 31 21.699 2.198 0.609 0.518 0.900 0.533 CB 1.223 31 residues pruned to eliminate duplicates Z: 6 4.624 1.467 0.811 0.459 0.800 0.600 O 1.015 Z: 14 4.242 1.624 -0.006 0.278 0.846 0.308 CB 1.107 14 residues pruned to eliminate duplicates Z: 11 13.188 2.223 0.571 0.618 0.900 0.700 CB 1.186 11 residues pruned to eliminate duplicates Z: 40 28.377 2.245 0.476 0.498 0.897 0.462 CB 1.532 40 residues pruned to eliminate duplicates Z: 18 19.910 2.144 0.427 0.730 0.941 0.529 CB 1.364 18 residues pruned to eliminate duplicates Z: 22 23.038 2.030 0.292 0.880 1.000 0.714 CB 1.390 22 residues pruned to eliminate duplicates Z: 120 47.471 2.234 0.476 0.528 0.882 0.529 CB 1.455 120 residues pruned to eliminate duplicates Z: 13 15.924 2.121 0.255 0.869 0.917 0.750 CB 1.377 13 residues pruned to eliminate duplicates Z: 21 26.614 2.072 0.743 0.927 0.850 0.650 CB 1.358 21 residues pruned to eliminate duplicates Z: 10 12.825 1.984 0.412 0.558 0.889 0.333 CB 1.623 10 residues pruned to eliminate duplicates Z: 38 32.761 2.182 0.454 0.606 0.946 0.514 CB 1.623 38 residues pruned to eliminate duplicates 6 1.475 1.067 0.148 0.598 0.800 0.400 CA 0.613 ? Z: 19 8.272 1.975 0.185 0.436 0.833 0.611 CB 1.068 19 residues pruned to eliminate duplicates Z: 13 15.037 2.036 0.362 0.894 0.833 0.500 CB 1.348 13 residues pruned to eliminate duplicates Z: 90 48.658 2.315 0.557 0.507 0.899 0.517 CB 1.580 90 residues pruned to eliminate duplicates Z: 14 15.479 1.919 0.634 0.830 0.923 0.769 CA 1.115 14 residues pruned to eliminate duplicates Z: 7 5.336 2.376 0.225 0.083 0.833 0.500 CB 1.539 7 residues pruned to eliminate duplicates Z: 12 14.474 1.760 0.682 0.654 1.000 0.909 CA 1.277 12 residues pruned to eliminate duplicates Z: 6 6.650 1.730 0.614 0.513 0.800 0.400 N 1.313 6 residues pruned to eliminate duplicates Z: 54 28.700 2.180 0.452 0.499 0.887 0.453 CB 1.405 54 residues pruned to eliminate duplicates Z: 36 14.836 2.078 0.195 0.377 0.829 0.429 CB 1.388 36 residues pruned to eliminate duplicates Z: 24 12.710 1.790 0.314 0.592 0.870 0.565 CB 1.187 24 residues pruned to eliminate duplicates Z: 13 16.135 2.207 0.544 0.583 0.917 0.417 CA 1.376 13 residues pruned to eliminate duplicates Z: 14 17.222 1.856 0.492 0.897 0.923 0.385 CB 1.338 14 residues pruned to eliminate duplicates Z: 6 6.967 1.831 0.301 0.644 0.800 0.600 C 1.430 6 residues pruned to eliminate duplicates Z: 14 24.701 2.255 0.632 0.866 0.846 0.615 CB 1.611 14 residues pruned to eliminate duplicates 6 1.220 1.704 -0.261 0.100 0.800 0.600 CB 0.903 ? Z: 52 33.713 2.092 0.510 0.672 0.941 0.510 CB 1.356 52 residues pruned to eliminate duplicates Z: 31 18.836 2.220 0.364 0.450 0.933 0.500 CB 1.281 31 residues pruned to eliminate duplicates Z: 33 27.632 2.142 0.395 0.527 0.969 0.656 CA 1.643 33 residues pruned to eliminate duplicates Z: 16 12.154 1.963 0.242 0.798 0.867 0.733 CB 1.144 16 residues pruned to eliminate duplicates Z: 8 15.993 2.003 0.631 0.882 0.857 0.857 CB 1.562 8 residues pruned to eliminate duplicates Z: 17 13.644 1.954 0.368 0.541 0.875 0.750 CB 1.401 17 residues pruned to eliminate duplicates Z: 13 20.701 1.862 0.845 0.929 1.000 0.333 CB 1.217 13 residues pruned to eliminate duplicates Z: 11 21.845 1.977 0.731 0.881 1.000 0.900 CB 1.462 11 residues pruned to eliminate duplicates Z: 88 47.765 2.308 0.573 0.499 0.897 0.598 CB 1.575 88 residues pruned to eliminate duplicates Z: 14 14.472 1.925 0.380 0.822 0.923 0.692 CB 1.238 14 residues pruned to eliminate duplicates Z: 29 16.922 2.000 0.389 0.440 0.929 0.571 CB 1.319 29 residues pruned to eliminate duplicates Z: 16 23.435 2.167 0.847 0.529 0.933 0.667 CB 1.574 16 residues pruned to eliminate duplicates Z: 12 19.908 2.081 0.641 0.881 0.909 0.636 CB 1.400 12 residues pruned to eliminate duplicates Z: 10 19.343 1.969 0.397 0.912 1.000 0.778 CB 1.660 10 residues pruned to eliminate duplicates Z: 15 8.730 2.073 0.170 0.488 0.857 0.571 CB 1.136 15 residues pruned to eliminate duplicates Z: 8 3.579 1.467 -0.029 0.424 1.000 0.429 C 1.028 Z: 180 71.207 2.295 0.583 0.530 0.922 0.536 CB 1.542 180 residues pruned to eliminate duplicates Z: 35 36.726 2.135 0.681 0.707 0.941 0.794 CB 1.544 35 residues pruned to eliminate duplicates Z: 82 41.640 2.230 0.423 0.535 0.914 0.667 CB 1.541 82 residues pruned to eliminate duplicates Z: 30 28.944 2.095 0.412 0.741 0.966 0.793 CB 1.516 30 residues pruned to eliminate duplicates Z: 21 18.833 2.075 0.230 0.696 0.900 0.850 CB 1.533 21 residues pruned to eliminate duplicates Z: 10 9.284 1.958 0.002 0.778 0.889 0.778 CA 1.388 10 residues pruned to eliminate duplicates Z: 67 25.205 2.073 0.384 0.476 0.833 0.530 CB 1.330 67 residues pruned to eliminate duplicates Z: 41 30.959 2.175 0.586 0.520 0.950 0.450 CB 1.465 41 residues pruned to eliminate duplicates Z: 68 40.092 2.258 0.573 0.519 0.881 0.597 CB 1.538 125 residues pruned to eliminate duplicates Z: 9 9.586 1.899 0.356 0.485 0.875 0.750 CB 1.527 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 23.375 2.034 0.519 0.924 1.000 0.833 CB 1.535 13 residues pruned to eliminate duplicates Z: 15 16.076 1.830 0.503 0.826 0.929 0.643 CB 1.268 15 residues pruned to eliminate duplicates Z: 12 19.233 1.933 0.651 0.837 1.000 0.545 CB 1.358 12 residues pruned to eliminate duplicates Z: 16 16.963 1.763 0.689 0.782 0.933 0.533 CB 1.230 16 residues pruned to eliminate duplicates Z: 16 15.440 1.788 0.609 0.745 0.867 0.467 CA 1.285 16 residues pruned to eliminate duplicates Z: 15 13.096 1.846 0.325 0.802 0.857 0.429 CB 1.283 15 residues pruned to eliminate duplicates Z: 15 17.079 1.858 0.712 0.788 0.857 0.571 CB 1.300 15 residues pruned to eliminate duplicates Z: 15 18.759 1.851 0.761 0.799 0.929 0.500 CB 1.275 15 residues pruned to eliminate duplicates Z: 17 18.659 1.679 0.787 0.739 1.000 0.625 CB 1.254 17 residues pruned to eliminate duplicates Z: 14 19.444 1.924 0.775 0.854 0.846 0.385 CB 1.379 14 residues pruned to eliminate duplicates Z: 14 16.631 1.927 0.649 0.835 0.846 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 10 20.737 2.288 0.686 0.774 0.889 0.889 CA 1.583 10 residues pruned to eliminate duplicates Z: 7 4.458 1.656 1.022 0.386 0.667 0.500 CA 0.920 7 residues pruned to eliminate duplicates Z: 65 42.336 2.371 0.424 0.572 0.875 0.641 CB 1.671 65 residues pruned to eliminate duplicates Z: 23 31.194 2.391 0.579 0.645 0.909 0.864 CB 1.692 23 residues pruned to eliminate duplicates Z: 53 41.164 2.293 0.486 0.595 0.923 0.673 CB 1.656 53 residues pruned to eliminate duplicates Z: 29 33.832 2.339 0.525 0.632 1.000 0.714 CB 1.584 29 residues pruned to eliminate duplicates Z: 15 27.336 2.403 0.405 0.836 1.000 0.857 CB 1.619 15 residues pruned to eliminate duplicates Z: 66 44.838 2.349 0.452 0.565 0.908 0.646 CB 1.686 66 residues pruned to eliminate duplicates Z: 17 22.707 2.429 0.364 0.729 0.938 0.812 CB 1.487 17 residues pruned to eliminate duplicates Z: 50 42.036 2.373 0.549 0.591 0.898 0.673 CB 1.669 50 residues pruned to eliminate duplicates Z: 53 42.579 2.298 0.526 0.599 0.923 0.558 CB 1.659 53 residues pruned to eliminate duplicates Z: 112 53.300 2.286 0.497 0.535 0.928 0.568 CB 1.538 112 residues pruned to eliminate duplicates Z: 65 51.796 2.344 0.628 0.582 0.938 0.641 CB 1.673 65 residues pruned to eliminate duplicates Z: 26 21.419 2.134 0.644 0.439 0.880 0.560 CB 1.478 26 residues pruned to eliminate duplicates Z: 24 26.982 2.298 0.693 0.546 0.913 0.783 CB 1.514 24 residues pruned to eliminate duplicates Z: 181 63.654 2.265 0.442 0.529 0.933 0.600 CB 1.513 181 residues pruned to eliminate duplicates Z: 33 32.655 2.272 0.667 0.579 0.938 0.688 CB 1.506 33 residues pruned to eliminate duplicates Z: 14 35.985 2.413 0.934 0.880 1.000 0.692 CB 1.549 14 residues pruned to eliminate duplicates Z: 65 43.956 2.291 0.570 0.555 0.891 0.516 CB 1.625 64 residues pruned to eliminate duplicates Z: 16 22.111 2.376 0.615 0.727 0.867 0.600 CB 1.400 16 residues pruned to eliminate duplicates Z: 150 63.458 2.306 0.465 0.548 0.940 0.604 CB 1.562 150 residues pruned to eliminate duplicates Z: 61 39.625 2.345 0.474 0.528 0.900 0.583 CB 1.600 61 residues pruned to eliminate duplicates Z: 145 58.109 2.281 0.477 0.532 0.917 0.556 CB 1.519 145 residues pruned to eliminate duplicates Z: 83 46.066 2.306 0.570 0.529 0.915 0.524 CB 1.493 83 residues pruned to eliminate duplicates Z: 62 49.161 2.389 0.628 0.557 0.951 0.607 CB 1.610 62 residues pruned to eliminate duplicates Z: 116 51.061 2.303 0.426 0.537 0.904 0.574 CB 1.546 116 residues pruned to eliminate duplicates Z: 33 31.932 2.381 0.665 0.504 0.875 0.688 CB 1.620 33 residues pruned to eliminate duplicates Z: 80 45.596 2.302 0.550 0.528 0.924 0.519 CB 1.513 80 residues pruned to eliminate duplicates Z: 24 40.734 2.421 0.815 0.626 0.957 0.652 CA 1.795 24 residues pruned to eliminate duplicates Z: 26 35.954 2.376 0.741 0.605 0.920 0.720 CB 1.711 26 residues pruned to eliminate duplicates Z: 79 47.166 2.335 0.578 0.528 0.923 0.551 CB 1.528 79 residues pruned to eliminate duplicates Z: 84 47.687 2.314 0.584 0.526 0.916 0.590 CB 1.519 84 residues pruned to eliminate duplicates Z: 58 43.917 2.351 0.587 0.551 0.912 0.544 CB 1.625 58 residues pruned to eliminate duplicates Z: 63 49.218 2.364 0.643 0.546 0.935 0.661 CB 1.645 63 residues pruned to eliminate duplicates Z: 75 44.918 2.319 0.582 0.508 0.932 0.608 CB 1.515 75 residues pruned to eliminate duplicates Z: 180 65.940 2.300 0.472 0.541 0.905 0.603 CB 1.546 180 residues pruned to eliminate duplicates Z: 29 31.702 2.429 0.572 0.558 0.893 0.643 CA 1.660 29 residues pruned to eliminate duplicates Z: 58 50.036 2.358 0.621 0.593 0.930 0.632 CB 1.706 58 residues pruned to eliminate duplicates Z: 58 29.437 2.259 0.395 0.450 0.895 0.544 CB 1.454 58 residues pruned to eliminate duplicates Z: 90 47.482 2.293 0.468 0.555 0.899 0.584 CB 1.576 90 residues pruned to eliminate duplicates Z: 66 46.947 2.354 0.589 0.568 0.877 0.646 CB 1.662 66 residues pruned to eliminate duplicates Z: 61 44.821 2.372 0.601 0.536 0.933 0.567 CB 1.576 61 residues pruned to eliminate duplicates Z: 57 49.595 2.385 0.611 0.598 0.946 0.661 CB 1.660 57 residues pruned to eliminate duplicates Z: 64 49.049 2.392 0.602 0.565 0.889 0.603 CB 1.703 64 residues pruned to eliminate duplicates Z: 62 47.438 2.369 0.604 0.584 0.885 0.607 CB 1.666 62 residues pruned to eliminate duplicates Z: 59 39.729 2.339 0.547 0.492 0.948 0.517 CB 1.532 59 residues pruned to eliminate duplicates Z: 45 36.719 2.377 0.610 0.521 0.909 0.568 CB 1.559 45 residues pruned to eliminate duplicates Z: 65 50.229 2.379 0.618 0.575 0.938 0.594 CB 1.618 65 residues pruned to eliminate duplicates Z: 41 21.301 2.255 0.374 0.446 0.850 0.400 CB 1.352 41 residues pruned to eliminate duplicates Z: 66 49.180 2.368 0.549 0.568 0.954 0.631 CB 1.632 66 residues pruned to eliminate duplicates Z: 77 44.959 2.343 0.582 0.509 0.934 0.579 CB 1.476 77 residues pruned to eliminate duplicates Z: 14 7.845 2.091 0.492 0.359 0.692 0.385 CB 1.173 14 residues pruned to eliminate duplicates Z: 128 48.299 2.262 0.428 0.510 0.906 0.583 CB 1.450 128 residues pruned to eliminate duplicates Z: 18 10.793 2.240 0.351 0.325 0.824 0.353 CB 1.273 18 residues pruned to eliminate duplicates Z: 51 36.241 2.329 0.571 0.499 0.940 0.580 CB 1.491 51 residues pruned to eliminate duplicates Z: 55 32.429 2.320 0.446 0.480 0.926 0.537 CB 1.451 55 residues pruned to eliminate duplicates Z: 126 57.581 2.345 0.452 0.549 0.912 0.584 CB 1.581 126 residues pruned to eliminate duplicates Z: 85 44.822 2.284 0.493 0.512 0.940 0.548 CB 1.507 85 residues pruned to eliminate duplicates Z: 75 45.407 2.327 0.576 0.516 0.946 0.568 CB 1.498 75 residues pruned to eliminate duplicates Z: 154 59.821 2.298 0.429 0.515 0.915 0.556 CB 1.585 154 residues pruned to eliminate duplicates Z: 154 58.102 2.289 0.438 0.510 0.915 0.542 CB 1.543 154 residues pruned to eliminate duplicates Z: 26 11.239 2.132 0.408 0.403 0.800 0.360 CB 1.037 26 residues pruned to eliminate duplicates Z: 115 47.135 2.250 0.430 0.536 0.904 0.518 CB 1.466 115 residues pruned to eliminate duplicates Z: 42 19.969 2.226 0.338 0.381 0.854 0.439 CB 1.393 42 residues pruned to eliminate duplicates Z: 17 11.158 2.087 0.366 0.445 0.938 0.562 CB 1.105 17 residues pruned to eliminate duplicates Z: 16 9.041 2.030 0.417 0.413 0.867 0.467 CB 1.026 16 residues pruned to eliminate duplicates Z: 40 21.604 2.253 0.292 0.407 0.974 0.436 CB 1.344 40 residues pruned to eliminate duplicates Z: 76 43.436 2.319 0.587 0.491 0.933 0.600 CB 1.474 76 residues pruned to eliminate duplicates Z: 62 34.097 2.241 0.393 0.531 0.902 0.492 CB 1.505 62 residues pruned to eliminate duplicates Z: 25 13.413 2.128 0.351 0.386 0.875 0.500 CB 1.229 25 residues pruned to eliminate duplicates Z: 59 30.683 2.248 0.360 0.535 0.862 0.569 CB 1.477 59 residues pruned to eliminate duplicates Z: 115 48.204 2.265 0.380 0.524 0.930 0.544 CB 1.517 115 residues pruned to eliminate duplicates Z: 128 55.428 2.267 0.426 0.526 0.961 0.559 CB 1.543 128 residues pruned to eliminate duplicates Z: 51 28.132 2.208 0.311 0.553 0.900 0.460 CB 1.451 51 residues pruned to eliminate duplicates Z: 62 35.342 2.291 0.316 0.562 0.951 0.574 CB 1.487 62 residues pruned to eliminate duplicates Z: 121 49.360 2.250 0.445 0.501 0.908 0.558 CB 1.523 121 residues pruned to eliminate duplicates Z: 38 20.895 2.272 0.378 0.415 0.865 0.405 CB 1.387 38 residues pruned to eliminate duplicates Z: 16 9.066 1.973 0.139 0.439 0.800 0.400 CA 1.386 16 residues pruned to eliminate duplicates Z: 31 15.767 2.165 0.205 0.431 0.867 0.500 CB 1.368 31 residues pruned to eliminate duplicates Z: 39 29.474 2.225 0.220 0.672 0.921 0.605 CB 1.631 39 residues pruned to eliminate duplicates Z: 36 18.517 2.181 0.237 0.421 0.914 0.457 CB 1.378 36 residues pruned to eliminate duplicates Z: 114 50.274 2.276 0.460 0.539 0.920 0.566 CB 1.488 114 residues pruned to eliminate duplicates Z: 89 46.496 2.310 0.607 0.497 0.886 0.511 CB 1.511 89 residues pruned to eliminate duplicates Z: 174 65.163 2.303 0.457 0.528 0.942 0.584 CB 1.524 174 residues pruned to eliminate duplicates Z: 47 29.115 2.230 0.264 0.575 0.913 0.565 CB 1.552 47 residues pruned to eliminate duplicates Z: 59 35.471 2.245 0.408 0.534 0.948 0.534 CB 1.502 59 residues pruned to eliminate duplicates Z: 128 56.657 2.297 0.464 0.523 0.953 0.488 CB 1.534 128 residues pruned to eliminate duplicates Z: 128 49.848 2.261 0.417 0.516 0.906 0.528 CB 1.501 128 residues pruned to eliminate duplicates Z: 51 31.529 2.229 0.362 0.541 0.920 0.540 CB 1.533 51 residues pruned to eliminate duplicates Z: 59 32.094 2.199 0.387 0.520 0.931 0.534 CB 1.455 59 residues pruned to eliminate duplicates Z: 114 47.642 2.247 0.477 0.523 0.885 0.566 CB 1.491 114 residues pruned to eliminate duplicates Z: 145 63.347 2.305 0.514 0.541 0.903 0.535 CB 1.609 145 residues pruned to eliminate duplicates Z: 38 31.521 2.262 0.321 0.653 0.946 0.649 CB 1.590 38 residues pruned to eliminate duplicates Z: 115 52.349 2.290 0.443 0.567 0.939 0.553 CB 1.483 115 residues pruned to eliminate duplicates Z: 115 47.523 2.233 0.460 0.523 0.904 0.570 CB 1.477 115 residues pruned to eliminate duplicates Z: 114 50.537 2.256 0.437 0.530 0.912 0.637 CB 1.561 114 residues pruned to eliminate duplicates Z: 101 48.194 2.263 0.374 0.589 0.930 0.570 CB 1.531 101 residues pruned to eliminate duplicates Z: 23 31.651 2.321 0.339 0.829 0.955 0.636 CB 1.711 23 residues pruned to eliminate duplicates Z: 47 29.860 2.209 0.277 0.568 0.957 0.500 CB 1.528 47 residues pruned to eliminate duplicates Z: 19 30.231 2.334 0.395 0.813 0.944 0.722 CB 1.764 19 residues pruned to eliminate duplicates Z: 90 36.047 2.224 0.349 0.472 0.899 0.584 CB 1.458 90 residues pruned to eliminate duplicates Z: 122 57.203 2.332 0.409 0.549 0.934 0.570 CB 1.616 122 residues pruned to eliminate duplicates Z: 172 64.496 2.298 0.430 0.534 0.936 0.596 CB 1.551 172 residues pruned to eliminate duplicates Z: 127 52.917 2.293 0.447 0.514 0.929 0.556 CB 1.509 127 residues pruned to eliminate duplicates Z: 128 53.151 2.274 0.453 0.522 0.921 0.528 CB 1.516 128 residues pruned to eliminate duplicates Z: 65 34.748 2.254 0.406 0.556 0.891 0.531 CB 1.458 65 residues pruned to eliminate duplicates Z: 88 47.582 2.279 0.430 0.561 0.954 0.563 CB 1.546 88 residues pruned to eliminate duplicates Z: 181 74.274 2.305 0.522 0.549 0.961 0.517 CB 1.566 182 residues pruned to eliminate duplicates Z: 6 3.911 1.948 -0.037 0.322 0.800 0.600 CB 1.418 6 residues pruned to eliminate duplicates Z: 127 52.567 2.294 0.483 0.509 0.889 0.492 CB 1.535 127 residues pruned to eliminate duplicates Z: 123 61.371 2.309 0.649 0.550 0.918 0.549 CB 1.513 123 residues pruned to eliminate duplicates Z: 129 53.226 2.281 0.457 0.521 0.914 0.508 CB 1.516 129 residues pruned to eliminate duplicates Z: 172 71.762 2.322 0.554 0.554 0.912 0.573 CB 1.582 172 residues pruned to eliminate duplicates Z: 95 54.302 2.318 0.539 0.558 0.926 0.511 CB 1.602 95 residues pruned to eliminate duplicates Z: 172 69.116 2.327 0.537 0.517 0.936 0.509 CB 1.553 172 residues pruned to eliminate duplicates Z: 182 71.595 2.300 0.552 0.537 0.923 0.564 CB 1.558 182 residues pruned to eliminate duplicates Z: 88 48.923 2.282 0.503 0.549 0.931 0.609 CB 1.566 88 residues pruned to eliminate duplicates Z: 87 51.770 2.296 0.549 0.571 0.942 0.605 CB 1.556 87 residues pruned to eliminate duplicates Z: 129 50.481 2.269 0.432 0.496 0.914 0.461 CB 1.508 129 residues pruned to eliminate duplicates Z: 153 68.983 2.338 0.524 0.551 0.934 0.539 CB 1.599 153 residues pruned to eliminate duplicates Z: 84 47.620 2.285 0.565 0.540 0.892 0.518 CB 1.577 84 residues pruned to eliminate duplicates Z: 115 57.224 2.263 0.545 0.541 0.965 0.509 CB 1.527 115 residues pruned to eliminate duplicates Z: 181 71.756 2.320 0.524 0.533 0.928 0.600 CB 1.579 181 residues pruned to eliminate duplicates Z: 102 54.341 2.317 0.535 0.559 0.950 0.535 CB 1.511 102 residues pruned to eliminate duplicates Z: 84 47.230 2.270 0.570 0.538 0.904 0.470 CB 1.550 84 residues pruned to eliminate duplicates Z: 103 52.239 2.301 0.459 0.540 0.941 0.520 CB 1.575 103 residues pruned to eliminate duplicates Z: 118 48.267 2.221 0.459 0.520 0.915 0.504 CB 1.477 118 residues pruned to eliminate duplicates Z: 161 73.884 2.319 0.591 0.557 0.956 0.569 CB 1.565 161 residues pruned to eliminate duplicates Z: 106 48.562 2.269 0.509 0.547 0.895 0.467 CB 1.477 106 residues pruned to eliminate duplicates Z: 178 71.437 2.323 0.540 0.544 0.904 0.548 CB 1.591 178 residues pruned to eliminate duplicates Z: 122 47.879 2.217 0.509 0.507 0.884 0.479 CB 1.460 122 residues pruned to eliminate duplicates Z: 106 51.883 2.230 0.553 0.542 0.943 0.467 CB 1.488 106 residues pruned to eliminate duplicates Z: 162 65.947 2.321 0.518 0.551 0.913 0.528 CB 1.537 162 residues pruned to eliminate duplicates Z: 95 53.708 2.315 0.554 0.558 0.926 0.585 CB 1.573 95 residues pruned to eliminate duplicates Z: 173 69.896 2.315 0.529 0.537 0.942 0.506 CB 1.541 173 residues pruned to eliminate duplicates Z: 57 37.544 2.248 0.541 0.492 0.946 0.571 CB 1.541 57 residues pruned to eliminate duplicates Z: 181 74.512 2.312 0.584 0.537 0.922 0.550 CB 1.586 181 residues pruned to eliminate duplicates Z: 111 53.262 2.252 0.540 0.544 0.918 0.527 CB 1.528 111 residues pruned to eliminate duplicates Z: 113 52.019 2.278 0.505 0.527 0.911 0.482 CB 1.532 113 residues pruned to eliminate duplicates Z: 128 52.953 2.280 0.497 0.525 0.913 0.480 CB 1.470 128 residues pruned to eliminate duplicates Z: 119 48.198 2.223 0.534 0.498 0.898 0.500 CB 1.451 119 residues pruned to eliminate duplicates Z: 178 71.600 2.301 0.573 0.537 0.932 0.565 CB 1.539 178 residues pruned to eliminate duplicates Z: 174 68.359 2.300 0.572 0.524 0.919 0.491 CB 1.528 174 residues pruned to eliminate duplicates Z: 106 51.652 2.240 0.570 0.529 0.933 0.514 CB 1.492 106 residues pruned to eliminate duplicates Z: 87 53.639 2.301 0.680 0.559 0.919 0.477 CB 1.537 87 residues pruned to eliminate duplicates Z: 118 56.914 2.259 0.606 0.540 0.940 0.564 CB 1.483 118 residues pruned to eliminate duplicates Z: 121 53.736 2.257 0.548 0.536 0.908 0.550 CB 1.492 121 residues pruned to eliminate duplicates Z: 105 50.731 2.263 0.556 0.526 0.894 0.577 CB 1.540 105 residues pruned to eliminate duplicates Z: 180 71.138 2.331 0.476 0.538 0.939 0.508 CB 1.586 180 residues pruned to eliminate duplicates Z: 87 50.242 2.315 0.552 0.559 0.895 0.547 CB 1.591 87 residues pruned to eliminate duplicates Z: 89 49.605 2.256 0.548 0.555 0.932 0.602 CB 1.540 89 residues pruned to eliminate duplicates Z: 169 69.403 2.320 0.538 0.535 0.923 0.577 CB 1.573 169 residues pruned to eliminate duplicates Z: 157 69.306 2.316 0.585 0.559 0.923 0.526 CB 1.547 157 residues pruned to eliminate duplicates Z: 88 54.282 2.289 0.665 0.559 0.931 0.506 CB 1.548 88 residues pruned to eliminate duplicates Z: 62 34.486 2.175 0.484 0.476 0.951 0.525 CB 1.475 62 residues pruned to eliminate duplicates Z: 69 40.414 2.265 0.596 0.459 0.926 0.529 CB 1.527 67 residues pruned to eliminate duplicates Z: 12 13.026 2.067 0.362 0.806 0.909 0.636 CB 1.175 12 residues pruned to eliminate duplicates Z: 96 55.591 2.297 0.576 0.573 0.937 0.537 CB 1.567 96 residues pruned to eliminate duplicates Z: 64 39.796 2.307 0.525 0.499 0.921 0.540 CB 1.550 64 residues pruned to eliminate duplicates Z: 86 55.702 2.305 0.646 0.576 0.953 0.541 CB 1.552 86 residues pruned to eliminate duplicates Z: 122 52.739 2.264 0.505 0.523 0.934 0.529 CB 1.472 122 residues pruned to eliminate duplicates Z: 153 62.984 2.320 0.489 0.527 0.901 0.539 CB 1.598 153 residues pruned to eliminate duplicates Z: 37 20.208 2.134 0.417 0.370 0.889 0.583 CB 1.439 37 residues pruned to eliminate duplicates Z: 68 38.151 2.228 0.513 0.461 0.940 0.552 CB 1.530 68 residues pruned to eliminate duplicates Z: 119 53.648 2.250 0.518 0.533 0.941 0.466 CB 1.488 119 residues pruned to eliminate duplicates Z: 67 39.823 2.244 0.491 0.502 0.955 0.545 CB 1.532 67 residues pruned to eliminate duplicates Z: 107 51.353 2.260 0.490 0.527 0.934 0.519 CB 1.545 107 residues pruned to eliminate duplicates Z: 106 52.217 2.268 0.578 0.545 0.905 0.571 CB 1.506 106 residues pruned to eliminate duplicates Z: 114 50.534 2.271 0.493 0.529 0.903 0.504 CB 1.510 114 residues pruned to eliminate duplicates Z: 133 53.482 2.249 0.485 0.502 0.932 0.500 CB 1.492 133 residues pruned to eliminate duplicates Z: 38 20.793 2.140 0.326 0.406 0.919 0.595 CB 1.446 38 residues pruned to eliminate duplicates Z: 24 21.229 1.977 0.376 0.737 0.957 0.652 CB 1.375 31 residues pruned to eliminate duplicates Z: 24 18.791 1.993 0.321 0.687 0.913 0.783 CB 1.374 24 residues pruned to eliminate duplicates Z: 25 20.258 1.985 0.257 0.691 1.000 0.708 CB 1.391 25 residues pruned to eliminate duplicates Z: 24 18.654 1.996 0.181 0.716 1.000 0.696 CB 1.357 24 residues pruned to eliminate duplicates Z: 24 21.365 1.997 0.301 0.739 1.000 0.696 CB 1.384 24 residues pruned to eliminate duplicates Z: 24 22.709 1.974 0.381 0.699 1.000 0.609 CB 1.449 22 residues pruned to eliminate duplicates Z: 15 15.633 1.958 0.275 0.783 1.000 0.643 CA 1.305 17 residues pruned to eliminate duplicates Z: 14 20.936 2.057 0.527 0.826 1.000 0.692 CB 1.394 14 residues pruned to eliminate duplicates Z: 22 25.231 2.091 0.440 0.700 1.000 0.714 CB 1.523 22 residues pruned to eliminate duplicates Z: 25 20.624 1.954 0.244 0.723 1.000 0.833 CB 1.415 25 residues pruned to eliminate duplicates Z: 27 17.833 1.937 0.304 0.627 0.923 0.731 CB 1.331 27 residues pruned to eliminate duplicates Z: 23 20.503 2.037 0.275 0.751 0.909 0.727 CB 1.480 23 residues pruned to eliminate duplicates Z: 24 20.896 1.991 0.336 0.699 0.957 0.609 CB 1.428 24 residues pruned to eliminate duplicates Z: 24 20.638 1.986 0.242 0.729 1.000 0.739 CB 1.419 24 residues pruned to eliminate duplicates Z: 25 21.059 1.966 0.311 0.704 0.958 0.833 CB 1.445 25 residues pruned to eliminate duplicates Z: 24 19.468 1.984 0.300 0.707 0.957 0.652 CB 1.364 24 residues pruned to eliminate duplicates Z: 25 17.920 2.003 0.234 0.708 0.875 0.708 CB 1.399 25 residues pruned to eliminate duplicates Z: 24 23.525 1.990 0.357 0.755 1.000 0.783 CB 1.447 24 residues pruned to eliminate duplicates Z: 23 23.815 2.034 0.477 0.727 0.955 0.773 CB 1.442 23 residues pruned to eliminate duplicates Z: 24 20.939 2.045 0.278 0.683 0.957 0.696 CB 1.476 24 residues pruned to eliminate duplicates Z: 24 21.274 2.024 0.436 0.658 0.957 0.609 CB 1.378 24 residues pruned to eliminate duplicates Z: 57 35.561 2.115 0.427 0.598 0.982 0.625 CB 1.461 57 residues pruned to eliminate duplicates Z: 35 25.545 2.012 0.285 0.641 0.971 0.647 CA 1.531 35 residues pruned to eliminate duplicates Z: 91 47.542 2.173 0.462 0.582 0.944 0.678 CB 1.544 91 residues pruned to eliminate duplicates Z: 120 45.336 2.163 0.323 0.530 0.933 0.571 CB 1.513 120 residues pruned to eliminate duplicates Z: 34 23.058 2.179 0.492 0.522 0.879 0.667 CB 1.374 34 residues pruned to eliminate duplicates Z: 53 36.505 2.296 0.323 0.576 0.904 0.635 CB 1.713 53 residues pruned to eliminate duplicates Z: 65 39.571 2.302 0.396 0.543 0.906 0.625 CB 1.629 65 residues pruned to eliminate duplicates Z: 67 39.224 2.242 0.434 0.520 0.939 0.561 CB 1.567 67 residues pruned to eliminate duplicates Z: 34 23.256 2.173 0.495 0.492 0.879 0.455 CB 1.430 34 residues pruned to eliminate duplicates Z: 34 24.680 2.153 0.643 0.487 0.848 0.576 CB 1.450 34 residues pruned to eliminate duplicates Z: 81 40.706 2.275 0.354 0.505 0.938 0.600 CB 1.568 81 residues pruned to eliminate duplicates Z: 30 25.314 2.265 0.463 0.546 0.931 0.690 CB 1.457 30 residues pruned to eliminate duplicates Z: 32 31.248 2.308 0.609 0.562 0.968 0.581 CB 1.470 32 residues pruned to eliminate duplicates Z: 25 26.289 2.293 0.637 0.510 0.958 0.667 CB 1.477 25 residues pruned to eliminate duplicates Z: 26 31.592 2.349 0.561 0.581 0.920 0.560 CB 1.733 26 residues pruned to eliminate duplicates Z: 25 24.998 2.292 0.762 0.497 0.917 0.458 CB 1.383 25 residues pruned to eliminate duplicates Z: 120 48.602 2.242 0.364 0.536 0.916 0.546 CB 1.536 120 residues pruned to eliminate duplicates Z: 78 43.042 2.184 0.396 0.596 0.935 0.610 CB 1.569 78 residues pruned to eliminate duplicates Z: 27 20.849 2.143 0.577 0.438 0.923 0.538 CB 1.397 27 residues pruned to eliminate duplicates Z: 28 27.206 2.261 0.502 0.551 0.963 0.519 CB 1.523 28 residues pruned to eliminate duplicates Z: 37 28.099 2.252 0.608 0.479 0.861 0.611 CB 1.534 37 residues pruned to eliminate duplicates Z: 59 42.071 2.267 0.498 0.566 0.966 0.655 CB 1.582 59 residues pruned to eliminate duplicates Z: 66 41.286 2.257 0.494 0.553 0.908 0.600 CB 1.589 66 residues pruned to eliminate duplicates Z: 63 40.601 2.269 0.374 0.531 0.952 0.597 CB 1.685 63 residues pruned to eliminate duplicates Z: 77 40.633 2.279 0.419 0.520 0.895 0.592 CB 1.580 77 residues pruned to eliminate duplicates Z: 32 24.482 2.244 0.669 0.458 0.839 0.355 CB 1.461 32 residues pruned to eliminate duplicates Z: 65 42.985 2.264 0.464 0.567 0.969 0.547 CB 1.569 65 residues pruned to eliminate duplicates Z: 27 26.152 2.255 0.829 0.442 0.923 0.500 CB 1.429 27 residues pruned to eliminate duplicates Z: 25 33.451 2.343 0.553 0.587 1.000 0.625 CB 1.726 25 residues pruned to eliminate duplicates Z: 83 44.065 2.254 0.482 0.524 0.927 0.512 CB 1.535 83 residues pruned to eliminate duplicates Z: 122 45.937 2.153 0.387 0.527 0.893 0.537 CB 1.526 122 residues pruned to eliminate duplicates Z: 91 41.004 2.219 0.464 0.513 0.867 0.556 CB 1.516 91 residues pruned to eliminate duplicates Z: 93 39.178 2.199 0.471 0.506 0.870 0.489 CB 1.442 93 residues pruned to eliminate duplicates Z: 117 46.516 2.183 0.437 0.507 0.897 0.552 CB 1.524 117 residues pruned to eliminate duplicates Z: 75 33.366 2.186 0.372 0.448 0.892 0.459 CB 1.530 75 residues pruned to eliminate duplicates Z: 127 54.442 2.220 0.521 0.544 0.913 0.556 CB 1.507 127 residues pruned to eliminate duplicates Z: 84 42.734 2.227 0.550 0.518 0.928 0.554 CB 1.438 84 residues pruned to eliminate duplicates Z: 79 41.292 2.273 0.409 0.505 0.936 0.564 CB 1.553 79 residues pruned to eliminate duplicates Z: 52 34.034 2.267 0.376 0.538 0.941 0.529 CB 1.564 52 residues pruned to eliminate duplicates Z: 55 41.315 2.273 0.593 0.588 0.963 0.611 CB 1.482 55 residues pruned to eliminate duplicates Z: 60 45.364 2.267 0.529 0.534 0.983 0.559 CB 1.676 60 residues pruned to eliminate duplicates Z: 84 43.991 2.260 0.382 0.510 0.964 0.651 CB 1.587 84 residues pruned to eliminate duplicates Z: 95 43.423 2.247 0.442 0.507 0.915 0.564 CB 1.500 95 residues pruned to eliminate duplicates Z: 59 40.712 2.234 0.584 0.529 0.914 0.569 CB 1.606 59 residues pruned to eliminate duplicates Z: 60 43.315 2.299 0.575 0.527 0.932 0.576 CB 1.626 60 residues pruned to eliminate duplicates Z: 64 40.857 2.267 0.473 0.513 0.937 0.524 CB 1.626 64 residues pruned to eliminate duplicates Z: 57 42.244 2.279 0.603 0.538 0.929 0.571 CB 1.603 57 residues pruned to eliminate duplicates Z: 79 44.010 2.274 0.442 0.512 0.949 0.577 CB 1.583 79 residues pruned to eliminate duplicates Z: 77 37.308 2.268 0.330 0.510 0.921 0.526 CB 1.525 77 residues pruned to eliminate duplicates Z: 124 55.879 2.232 0.529 0.559 0.911 0.626 CB 1.531 124 residues pruned to eliminate duplicates Z: 74 37.689 2.234 0.570 0.508 0.863 0.493 CB 1.445 74 residues pruned to eliminate duplicates Z: 65 48.040 2.304 0.579 0.553 0.969 0.547 CB 1.618 65 residues pruned to eliminate duplicates Z: 55 41.355 2.220 0.584 0.565 0.926 0.500 CB 1.623 74 residues pruned to eliminate duplicates Z: 64 38.492 2.235 0.546 0.490 0.937 0.524 CB 1.513 64 residues pruned to eliminate duplicates Z: 104 43.958 2.227 0.446 0.516 0.893 0.505 CB 1.482 104 residues pruned to eliminate duplicates Z: 17 17.881 2.132 0.541 0.417 0.938 0.562 CB 1.583 17 residues pruned to eliminate duplicates Z: 58 41.516 2.273 0.602 0.547 0.930 0.509 CB 1.552 58 residues pruned to eliminate duplicates Z: 66 44.796 2.242 0.643 0.559 0.908 0.569 CB 1.570 66 residues pruned to eliminate duplicates Z: 95 42.990 2.236 0.476 0.489 0.904 0.500 CB 1.503 95 residues pruned to eliminate duplicates Z: 65 46.057 2.285 0.642 0.565 0.938 0.609 CB 1.536 65 residues pruned to eliminate duplicates Z: 56 45.640 2.300 0.704 0.555 0.927 0.509 CB 1.604 56 residues pruned to eliminate duplicates Z: 19 15.231 2.081 0.469 0.317 0.889 0.444 CB 1.616 19 residues pruned to eliminate duplicates Z: 33 25.428 2.197 0.545 0.403 0.875 0.531 CB 1.676 33 residues pruned to eliminate duplicates Z: 58 43.569 2.282 0.718 0.507 0.895 0.526 CB 1.633 58 residues pruned to eliminate duplicates Z: 134 46.787 2.183 0.442 0.498 0.887 0.511 CB 1.456 134 residues pruned to eliminate duplicates Z: 96 44.348 2.235 0.502 0.495 0.905 0.547 CB 1.504 96 residues pruned to eliminate duplicates Z: 72 41.680 2.258 0.536 0.504 0.930 0.577 CB 1.528 72 residues pruned to eliminate duplicates Z: 85 44.428 2.276 0.516 0.490 0.905 0.560 CB 1.568 85 residues pruned to eliminate duplicates Z: 144 54.161 2.201 0.466 0.559 0.895 0.573 CB 1.480 144 residues pruned to eliminate duplicates Z: 68 37.277 2.214 0.532 0.492 0.896 0.463 CB 1.511 68 residues pruned to eliminate duplicates Z: 97 38.790 2.166 0.356 0.541 0.917 0.531 CB 1.412 97 residues pruned to eliminate duplicates Z: 42 14.207 2.043 0.321 0.354 0.756 0.341 CB 1.273 42 residues pruned to eliminate duplicates Z: 98 44.018 2.217 0.519 0.477 0.887 0.526 CB 1.533 98 residues pruned to eliminate duplicates Z: 29 17.156 2.141 0.306 0.356 0.929 0.393 CB 1.458 29 residues pruned to eliminate duplicates Z: 128 53.431 2.209 0.533 0.524 0.898 0.535 CB 1.524 128 residues pruned to eliminate duplicates Z: 95 43.889 2.234 0.502 0.493 0.915 0.436 CB 1.486 95 residues pruned to eliminate duplicates Z: 66 31.960 2.142 0.426 0.516 0.908 0.477 CB 1.407 66 residues pruned to eliminate duplicates Z: 89 39.959 2.212 0.476 0.502 0.898 0.523 CB 1.451 89 residues pruned to eliminate duplicates Z: 48 22.249 2.134 0.450 0.410 0.851 0.511 CB 1.355 48 residues pruned to eliminate duplicates Z: 83 42.496 2.217 0.480 0.506 0.951 0.524 CB 1.494 83 residues pruned to eliminate duplicates Z: 82 35.865 2.183 0.416 0.513 0.877 0.481 CB 1.452 82 residues pruned to eliminate duplicates Z: 89 43.206 2.232 0.505 0.509 0.909 0.477 CB 1.495 89 residues pruned to eliminate duplicates Z: 36 18.253 2.080 0.402 0.344 0.914 0.486 CB 1.371 36 residues pruned to eliminate duplicates Z: 98 45.519 2.214 0.580 0.481 0.907 0.454 CB 1.485 98 residues pruned to eliminate duplicates Z: 57 28.648 2.128 0.427 0.566 0.857 0.482 CB 1.380 57 residues pruned to eliminate duplicates Z: 74 28.069 2.126 0.382 0.431 0.849 0.534 CB 1.414 74 residues pruned to eliminate duplicates Z: 57 25.319 2.095 0.391 0.536 0.839 0.429 CB 1.335 57 residues pruned to eliminate duplicates Z: 36 15.922 2.025 0.382 0.416 0.829 0.486 CB 1.268 36 residues pruned to eliminate duplicates Z: 89 45.331 2.222 0.579 0.506 0.909 0.477 CB 1.507 89 residues pruned to eliminate duplicates Z: 32 17.258 2.144 0.475 0.402 0.839 0.419 CB 1.296 32 residues pruned to eliminate duplicates Z: 61 31.313 2.192 0.426 0.537 0.883 0.533 CB 1.412 61 residues pruned to eliminate duplicates Z: 34 14.832 2.054 0.379 0.388 0.758 0.364 CB 1.355 34 residues pruned to eliminate duplicates Z: 34 17.993 2.114 0.374 0.424 0.879 0.394 CB 1.329 34 residues pruned to eliminate duplicates Z: 99 44.344 2.213 0.438 0.531 0.898 0.500 CB 1.520 99 residues pruned to eliminate duplicates Z: 67 28.510 2.165 0.379 0.511 0.818 0.591 CB 1.421 67 residues pruned to eliminate duplicates Z: 110 46.446 2.160 0.456 0.548 0.917 0.532 CB 1.470 110 residues pruned to eliminate duplicates Z: 95 41.298 2.170 0.465 0.549 0.904 0.532 CB 1.413 95 residues pruned to eliminate duplicates Z: 108 44.000 2.157 0.456 0.540 0.888 0.570 CB 1.467 108 residues pruned to eliminate duplicates Z: 39 19.221 2.083 0.465 0.405 0.842 0.421 CB 1.340 39 residues pruned to eliminate duplicates Z: 94 40.684 2.146 0.466 0.550 0.892 0.581 CB 1.430 94 residues pruned to eliminate duplicates Z: 100 47.612 2.199 0.597 0.503 0.909 0.434 CB 1.495 100 residues pruned to eliminate duplicates Z: 51 37.283 2.142 0.477 0.686 0.960 0.600 CB 1.465 51 residues pruned to eliminate duplicates Z: 63 29.944 2.129 0.413 0.534 0.903 0.484 CB 1.353 63 residues pruned to eliminate duplicates Z: 60 39.468 2.195 0.406 0.652 0.932 0.644 CB 1.550 60 residues pruned to eliminate duplicates Z: 95 38.885 2.115 0.388 0.566 0.904 0.574 CB 1.417 95 residues pruned to eliminate duplicates Z: 33 33.146 2.217 0.665 0.681 0.906 0.562 CB 1.483 33 residues pruned to eliminate duplicates Z: 139 54.242 2.200 0.521 0.547 0.928 0.514 CB 1.422 139 residues pruned to eliminate duplicates Z: 83 33.551 2.128 0.342 0.564 0.878 0.488 CB 1.389 83 residues pruned to eliminate duplicates Z: 157 59.145 2.210 0.467 0.561 0.910 0.506 CB 1.512 157 residues pruned to eliminate duplicates Z: 50 34.849 2.166 0.410 0.691 0.918 0.551 CB 1.490 50 residues pruned to eliminate duplicates Z: 85 42.589 2.152 0.492 0.593 0.929 0.524 CB 1.426 85 residues pruned to eliminate duplicates Z: 90 38.545 2.109 0.491 0.579 0.910 0.607 CB 1.323 90 residues pruned to eliminate duplicates Z: 155 62.239 2.213 0.561 0.539 0.929 0.506 CB 1.505 155 residues pruned to eliminate duplicates Z: 60 35.545 2.182 0.638 0.564 0.864 0.492 CB 1.407 60 residues pruned to eliminate duplicates Z: 67 34.598 2.150 0.561 0.529 0.894 0.485 CB 1.380 67 residues pruned to eliminate duplicates Z: 84 37.556 2.148 0.489 0.573 0.880 0.518 CB 1.366 84 residues pruned to eliminate duplicates Z: 63 41.062 2.146 0.612 0.636 0.919 0.516 CB 1.443 63 residues pruned to eliminate duplicates Z: 128 56.897 2.222 0.613 0.525 0.898 0.512 CB 1.531 128 residues pruned to eliminate duplicates Z: 128 56.675 2.226 0.608 0.544 0.913 0.457 CB 1.473 128 residues pruned to eliminate duplicates Z: 100 49.865 2.208 0.576 0.540 0.909 0.475 CB 1.523 100 residues pruned to eliminate duplicates Z: 85 39.657 2.131 0.505 0.607 0.905 0.548 CB 1.346 85 residues pruned to eliminate duplicates Z: 156 61.152 2.196 0.586 0.566 0.897 0.516 CB 1.475 156 residues pruned to eliminate duplicates Z: 55 40.617 2.191 0.557 0.642 0.944 0.463 CB 1.502 55 residues pruned to eliminate duplicates Z: 50 28.754 2.064 0.399 0.622 0.939 0.510 CB 1.350 50 residues pruned to eliminate duplicates Z: 63 45.914 2.164 0.555 0.657 0.984 0.645 CB 1.523 63 residues pruned to eliminate duplicates Z: 51 34.721 2.130 0.557 0.605 0.900 0.520 CB 1.489 51 residues pruned to eliminate duplicates Z: 44 36.853 2.202 0.670 0.649 0.930 0.535 CB 1.429 44 residues pruned to eliminate duplicates Z: 97 40.570 2.166 0.534 0.557 0.885 0.531 CB 1.332 97 residues pruned to eliminate duplicates Z: 42 25.606 2.055 0.427 0.524 0.951 0.537 CB 1.400 42 residues pruned to eliminate duplicates Z: 70 34.086 2.147 0.440 0.597 0.841 0.507 CB 1.439 70 residues pruned to eliminate duplicates Z: 108 41.636 2.138 0.478 0.512 0.869 0.458 CB 1.449 108 residues pruned to eliminate duplicates Z: 49 36.124 2.165 0.522 0.668 0.958 0.604 CB 1.414 49 residues pruned to eliminate duplicates Z: 39 26.267 2.140 0.304 0.529 1.000 0.605 CB 1.484 39 residues pruned to eliminate duplicates Z: 94 39.652 2.114 0.512 0.566 0.903 0.473 CB 1.337 94 residues pruned to eliminate duplicates Z: 47 36.482 2.217 0.547 0.676 0.935 0.457 CB 1.427 47 residues pruned to eliminate duplicates Z: 95 41.395 2.138 0.573 0.532 0.904 0.574 CB 1.361 95 residues pruned to eliminate duplicates Z: 81 33.349 2.137 0.413 0.532 0.887 0.463 CB 1.349 81 residues pruned to eliminate duplicates Z: 77 33.947 2.125 0.501 0.499 0.908 0.421 CB 1.346 77 residues pruned to eliminate duplicates Z: 39 27.499 2.146 0.534 0.616 0.895 0.395 CB 1.357 39 residues pruned to eliminate duplicates Z: 63 40.625 2.156 0.489 0.626 0.968 0.565 CB 1.475 63 residues pruned to eliminate duplicates Z: 41 24.816 2.063 0.388 0.546 0.925 0.575 CB 1.415 41 residues pruned to eliminate duplicates Z: 39 28.465 2.107 0.432 0.549 1.000 0.658 CB 1.459 39 residues pruned to eliminate duplicates Z: 15 20.514 1.988 0.580 0.866 1.000 0.714 CB 1.277 15 residues pruned to eliminate duplicates Z: 62 42.255 2.170 0.585 0.646 0.984 0.410 CB 1.395 62 residues pruned to eliminate duplicates Z: 55 38.282 2.187 0.572 0.643 0.926 0.481 CB 1.432 55 residues pruned to eliminate duplicates Z: 94 43.592 2.142 0.569 0.552 0.935 0.462 CB 1.367 94 residues pruned to eliminate duplicates Z: 61 43.589 2.190 0.618 0.654 0.950 0.617 CB 1.449 61 residues pruned to eliminate duplicates Z: 107 39.879 2.121 0.541 0.482 0.877 0.406 CB 1.375 107 residues pruned to eliminate duplicates Z: 14 24.179 2.106 0.890 0.898 1.000 0.462 CB 1.205 14 residues pruned to eliminate duplicates Z: 62 45.210 2.165 0.714 0.631 0.951 0.443 CB 1.451 62 residues pruned to eliminate duplicates Z: 53 37.780 2.149 0.720 0.588 0.904 0.500 CB 1.442 53 residues pruned to eliminate duplicates Z: 20 29.119 2.181 0.704 0.634 1.000 0.579 CB 1.585 20 residues pruned to eliminate duplicates Z: 62 35.608 2.134 0.544 0.628 0.885 0.508 CB 1.386 62 residues pruned to eliminate duplicates Z: 56 34.818 2.176 0.535 0.602 0.873 0.455 CB 1.462 56 residues pruned to eliminate duplicates Z: 125 51.636 2.147 0.617 0.518 0.903 0.395 CB 1.453 125 residues pruned to eliminate duplicates Z: 61 42.095 2.153 0.684 0.630 0.950 0.517 CB 1.396 61 residues pruned to eliminate duplicates Z: 65 36.555 2.112 0.505 0.606 0.938 0.578 CB 1.387 65 residues pruned to eliminate duplicates Z: 55 36.050 2.104 0.638 0.584 0.926 0.593 CB 1.418 55 residues pruned to eliminate duplicates Z: 19 22.137 2.189 0.501 0.594 1.000 0.722 CA 1.452 Z: 6 3.947 1.697 0.265 0.298 1.000 0.600 CA 1.031 6 residues pruned to eliminate duplicates Z: 19 19.441 2.212 0.425 0.543 0.944 0.667 CB 1.476 19 residues pruned to eliminate duplicates Z: 7 4.095 1.337 0.570 0.413 1.000 0.500 CA 0.873 7 residues pruned to eliminate duplicates Z: 21 15.922 2.117 0.439 0.421 0.950 0.500 CB 1.336 21 residues pruned to eliminate duplicates Z: 8 14.184 2.048 0.511 0.760 1.000 0.714 CA 1.375 8 residues pruned to eliminate duplicates Z: 19 18.299 2.207 0.379 0.487 1.000 0.556 CB 1.436 19 residues pruned to eliminate duplicates Z: 7 11.632 1.804 0.679 0.815 1.000 0.333 CA 1.192 7 residues pruned to eliminate duplicates Z: 19 14.305 2.173 0.329 0.518 0.889 0.556 CB 1.291 19 residues pruned to eliminate duplicates Z: 18 17.150 2.231 0.327 0.527 0.941 0.588 CB 1.454 18 residues pruned to eliminate duplicates Z: 10 18.559 2.189 0.513 0.697 1.000 0.444 CA 1.560 10 residues pruned to eliminate duplicates Z: 39 19.912 1.989 0.266 0.575 0.895 0.579 CB 1.334 39 residues pruned to eliminate duplicates Z: 21 13.052 2.086 0.251 0.438 0.900 0.500 CB 1.325 21 residues pruned to eliminate duplicates Z: 40 19.358 1.979 0.234 0.548 0.872 0.564 CB 1.389 40 residues pruned to eliminate duplicates Z: 22 12.600 1.979 0.222 0.456 0.857 0.429 CB 1.388 22 residues pruned to eliminate duplicates Z: 36 16.073 1.992 0.263 0.447 0.857 0.629 CB 1.329 36 residues pruned to eliminate duplicates Z: 22 14.419 2.008 0.255 0.438 0.952 0.571 CB 1.398 21 residues pruned to eliminate duplicates Z: 11 11.928 1.974 0.458 0.664 0.900 0.700 CB 1.251 11 residues pruned to eliminate duplicates Z: 12 14.204 1.974 0.462 0.678 0.909 0.727 CB 1.386 12 residues pruned to eliminate duplicates Z: 6 9.451 1.898 0.732 0.444 1.000 0.800 CA 1.362 6 residues pruned to eliminate duplicates Z: 21 13.847 2.071 0.280 0.445 0.850 0.550 CB 1.454 21 residues pruned to eliminate duplicates Z: 16 13.405 2.101 0.351 0.465 0.867 0.667 CB 1.458 16 residues pruned to eliminate duplicates Z: 21 17.294 2.106 0.325 0.470 0.950 0.500 CB 1.504 22 residues pruned to eliminate duplicates Z: 17 18.544 1.822 0.567 0.808 1.000 0.688 CB 1.241 16 residues pruned to eliminate duplicates Z: 15 17.763 1.863 0.448 0.846 1.000 1.000 CB 1.308 15 residues pruned to eliminate duplicates Z: 12 11.068 1.840 0.359 0.582 1.000 0.909 CA 1.233 12 residues pruned to eliminate duplicates Z: 82 31.988 2.010 0.484 0.502 0.889 0.519 CB 1.338 81 residues pruned to eliminate duplicates Z: 15 18.293 1.787 0.584 0.906 1.000 0.857 CB 1.229 15 residues pruned to eliminate duplicates Z: 12 14.426 1.877 0.436 0.826 0.909 0.364 CB 1.339 12 residues pruned to eliminate duplicates Z: 18 18.811 1.880 0.712 0.755 0.882 0.294 CB 1.280 18 residues pruned to eliminate duplicates Z: 15 20.808 1.800 0.708 0.893 1.000 0.500 CB 1.298 15 residues pruned to eliminate duplicates Z: 13 16.187 1.655 0.851 0.773 0.917 0.250 CA 1.308 13 residues pruned to eliminate duplicates Z: 18 13.510 1.808 0.835 0.700 0.824 0.176 CB 1.000 18 residues pruned to eliminate duplicates Z: 11 15.585 1.732 1.030 0.850 0.900 0.500 CB 1.154 11 residues pruned to eliminate duplicates Z: 11 13.417 1.793 0.852 0.824 0.800 0.400 CB 1.207 11 residues pruned to eliminate duplicates Z: 18 17.422 1.882 0.577 0.752 0.882 0.294 CB 1.290 18 residues pruned to eliminate duplicates Z: 13 14.326 1.703 0.628 0.710 1.000 0.167 CB 1.233 13 residues pruned to eliminate duplicates Z: 22 19.340 2.185 0.512 0.443 0.810 0.571 CB 1.674 Z: 8 3.035 1.314 0.449 0.556 0.857 0.429 CB 0.666 7 residues pruned to eliminate duplicates Z: 7 5.701 1.864 0.337 0.300 0.833 0.500 C 1.401 7 residues pruned to eliminate duplicates Z: 22 24.516 2.200 0.668 0.499 0.857 0.524 CB 1.702 23 residues pruned to eliminate duplicates Z: 6 2.682 2.122 -0.171 0.154 0.800 0.400 CA 1.303 6 residues pruned to eliminate duplicates Z: 19 28.149 2.168 0.743 0.509 0.944 0.444 CB 1.842 19 residues pruned to eliminate duplicates Z: 10 18.171 1.930 0.771 0.628 1.000 0.333 N 1.571 11 residues pruned to eliminate duplicates Z: 8 18.915 2.145 0.881 0.738 0.857 0.286 N 1.670 8 residues pruned to eliminate duplicates Z: 23 20.201 2.107 0.629 0.447 0.864 0.500 CB 1.534 23 residues pruned to eliminate duplicates Z: 21 23.607 2.073 0.709 0.525 0.950 0.550 CB 1.530 23 residues pruned to eliminate duplicates Z: 9 17.012 1.797 0.941 0.810 0.875 0.125 N 1.504 9 residues pruned to eliminate duplicates Z: 47 33.789 2.088 0.644 0.601 0.935 0.674 CB 1.410 19 residues pruned to eliminate duplicates Z: 9 19.335 1.808 1.007 0.818 1.000 0.375 N 1.429 9 residues pruned to eliminate duplicates Z: 47 38.689 2.093 0.639 0.652 0.935 0.630 CB 1.545 37 residues pruned to eliminate duplicates Z: 9 19.531 1.957 0.833 0.754 1.000 0.750 CB 1.534 9 residues pruned to eliminate duplicates Z: 47 32.596 2.044 0.585 0.631 0.891 0.565 CB 1.471 47 residues pruned to eliminate duplicates Z: 59 38.538 2.109 0.586 0.581 0.948 0.534 CB 1.476 58 residues pruned to eliminate duplicates Z: 13 19.120 2.101 0.369 0.891 1.000 0.917 CA 1.380 13 residues pruned to eliminate duplicates Z: 37 39.910 2.126 0.783 0.710 0.972 0.528 CB 1.492 37 residues pruned to eliminate duplicates Z: 14 16.448 2.017 0.279 0.857 1.000 0.692 CB 1.303 14 residues pruned to eliminate duplicates Z: 35 36.036 2.163 0.675 0.711 0.912 0.676 CB 1.544 35 residues pruned to eliminate duplicates Z: 36 38.308 2.120 0.636 0.700 1.000 0.600 CA 1.557 36 residues pruned to eliminate duplicates Z: 36 40.926 2.172 0.709 0.705 1.000 0.571 CB 1.547 36 residues pruned to eliminate duplicates Z: 36 36.351 2.138 0.656 0.661 0.943 0.600 CA 1.585 36 residues pruned to eliminate duplicates Z: 37 35.843 2.115 0.612 0.668 1.000 0.556 CB 1.500 37 residues pruned to eliminate duplicates Z: 38 34.460 2.083 0.601 0.648 0.973 0.541 CB 1.521 38 residues pruned to eliminate duplicates Z: 36 38.395 2.174 0.689 0.712 0.971 0.629 CB 1.502 36 residues pruned to eliminate duplicates Z: 36 39.357 2.164 0.731 0.715 0.971 0.686 CB 1.505 36 residues pruned to eliminate duplicates Z: 24 24.689 2.024 0.596 0.775 0.913 0.739 CB 1.369 24 residues pruned to eliminate duplicates Z: 35 37.545 2.174 0.629 0.718 0.971 0.706 CB 1.537 35 residues pruned to eliminate duplicates Z: 36 37.240 2.156 0.627 0.717 0.943 0.714 CB 1.563 36 residues pruned to eliminate duplicates Z: 37 36.402 2.151 0.603 0.706 0.944 0.667 CB 1.545 37 residues pruned to eliminate duplicates Z: 36 35.724 2.158 0.596 0.696 0.943 0.600 CB 1.554 36 residues pruned to eliminate duplicates Z: 36 36.646 2.156 0.678 0.706 0.914 0.571 CB 1.552 36 residues pruned to eliminate duplicates Z: 38 34.382 2.094 0.599 0.686 0.973 0.595 CB 1.462 38 residues pruned to eliminate duplicates Z: 36 36.465 2.145 0.719 0.706 0.914 0.686 CB 1.516 36 residues pruned to eliminate duplicates Z: 29 29.542 2.135 0.565 0.759 0.929 0.786 CB 1.429 29 residues pruned to eliminate duplicates Z: 36 36.736 2.163 0.696 0.711 0.914 0.686 CB 1.529 36 residues pruned to eliminate duplicates Z: 36 33.783 2.143 0.537 0.706 0.943 0.714 CB 1.525 36 residues pruned to eliminate duplicates Z: 34 39.777 2.185 0.755 0.723 0.970 0.697 CB 1.523 34 residues pruned to eliminate duplicates Z: 36 33.761 2.172 0.568 0.704 0.943 0.686 CB 1.476 36 residues pruned to eliminate duplicates Z: 37 33.935 2.135 0.574 0.694 0.917 0.583 CB 1.538 37 residues pruned to eliminate duplicates Z: 9 16.466 2.042 0.799 0.654 1.000 0.625 CB 1.373 9 residues pruned to eliminate duplicates Z: 38 28.733 2.094 0.462 0.647 0.946 0.622 CB 1.422 38 residues pruned to eliminate duplicates Z: 37 34.910 2.118 0.659 0.668 0.944 0.472 CB 1.501 37 residues pruned to eliminate duplicates Z: 36 37.146 2.162 0.580 0.688 1.000 0.714 CB 1.548 36 residues pruned to eliminate duplicates Z: 36 33.165 2.151 0.482 0.686 0.971 0.657 CB 1.526 36 residues pruned to eliminate duplicates Z: 36 35.357 2.134 0.621 0.701 1.000 0.571 CB 1.438 36 residues pruned to eliminate duplicates Z: 36 35.278 2.170 0.566 0.681 1.000 0.629 CB 1.486 36 residues pruned to eliminate duplicates Z: 36 40.577 2.191 0.780 0.723 0.914 0.543 CB 1.573 36 residues pruned to eliminate duplicates 491 residues left after pruning, divided into chains as follows: A: 13 B: 103 C: 76 D: 19 E: 222 F: 58 CC for partial structure against native data = 32.69 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.299, Contrast = 0.442, Connect. = 0.746 for dens.mod. cycle 1 = 0.299, Contrast = 0.491, Connect. = 0.762 for dens.mod. cycle 2 = 0.299, Contrast = 0.634, Connect. = 0.801 for dens.mod. cycle 3 = 0.299, Contrast = 0.647, Connect. = 0.802 for dens.mod. cycle 4 = 0.299, Contrast = 0.663, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.672, Connect. = 0.805 for dens.mod. cycle 6 = 0.299, Contrast = 0.681, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.687, Connect. = 0.807 for dens.mod. cycle 8 = 0.299, Contrast = 0.693, Connect. = 0.808 for dens.mod. cycle 9 TimeTaking 230.63