++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:02:49 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-mrncs/2i5i-1.7-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2i5i-1.7-parrot-mrncs/2i5i-1.7-parrot-mrncs.ins Phases from ./2i5i-1.7-parrot-mrncs/2i5i-1.7-parrot-mrncs.phi Native data from ./2i5i-1.7-parrot-mrncs/2i5i-1.7-parrot-mrncs.hkl Listing output to ./2i5i-1.7-parrot-mrncs/2i5i-1.7-parrot-mrncs.lst Phases output to ./2i5i-1.7-parrot-mrncs/2i5i-1.7-parrot-mrncs.phs Poly-Ala trace output to ./2i5i-1.7-parrot-mrncs/2i5i-1.7-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 Allowed origin shift code: 8 59789 Reflections read from file ./2i5i-1.7-parrot-mrncs/2i5i-1.7-parrot-mrncs.phi 59789 Reflections read from file ./2i5i-1.7-parrot-mrncs/2i5i-1.7-parrot-mrncs.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 = 0.287, Connect. = 0.701 for dens.mod. cycle 1 = 0.299, Contrast = 0.364, Connect. = 0.711 for dens.mod. cycle 2 = 0.299, Contrast = 0.507, Connect. = 0.761 for dens.mod. cycle 3 = 0.299, Contrast = 0.561, Connect. = 0.775 for dens.mod. cycle 4 = 0.299, Contrast = 0.595, Connect. = 0.784 for dens.mod. cycle 5 = 0.299, Contrast = 0.615, Connect. = 0.789 for dens.mod. cycle 6 = 0.299, Contrast = 0.631, Connect. = 0.793 for dens.mod. cycle 7 = 0.299, Contrast = 0.642, Connect. = 0.796 for dens.mod. cycle 8 = 0.299, Contrast = 0.652, Connect. = 0.799 for dens.mod. cycle 9 = 0.299, Contrast = 0.658, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2840 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 520 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 27.584 2.149 0.827 0.812 1.000 0.714 CA 1.431 B: 20 34.503 2.076 0.901 0.931 0.947 0.684 CB 1.479 C: 10 15.842 2.120 0.476 0.665 0.889 0.556 CB 1.630 D: 19 37.790 2.118 1.016 0.941 1.000 0.833 CB 1.448 20 residues pruned to eliminate duplicates E: 20 32.363 2.098 0.613 0.930 1.000 0.526 CB 1.534 20 residues pruned to eliminate duplicates F: 14 32.707 2.198 1.091 0.906 1.000 0.692 CA 1.404 G: 14 23.849 2.183 0.517 0.873 1.000 0.846 CB 1.455 14 residues pruned to eliminate duplicates H: 21 25.130 2.054 0.330 0.915 0.950 0.850 CA 1.530 20 residues pruned to eliminate duplicates I: 13 33.760 2.199 1.174 0.891 1.000 0.667 CB 1.466 13 residues pruned to eliminate duplicates J: 14 34.825 2.258 1.078 0.917 1.000 0.769 CB 1.452 14 residues pruned to eliminate duplicates K: 14 20.754 2.078 0.456 0.913 1.000 0.923 CB 1.347 L: 14 24.949 2.129 1.047 0.767 0.846 0.231 CB 1.481 M: 13 6.556 1.800 0.539 0.180 0.750 0.500 CB 1.339 N: 18 20.231 2.032 0.550 0.802 0.882 0.412 CB 1.356 18 residues pruned to eliminate duplicates O: 15 20.045 1.903 0.795 0.926 1.000 0.714 CB 1.100 P: 14 20.657 2.171 0.417 0.866 0.923 0.692 CB 1.477 14 residues pruned to eliminate duplicates Q: 12 22.359 2.132 0.590 0.910 0.909 0.727 CB 1.552 12 residues pruned to eliminate duplicates R: 13 25.941 2.179 0.678 0.911 1.000 0.833 CB 1.452 13 residues pruned to eliminate duplicates S: 15 24.599 2.088 0.681 0.828 0.929 0.929 CA 1.518 15 residues pruned to eliminate duplicates T: 13 17.230 1.979 0.428 0.859 1.000 0.667 CB 1.295 U: 49 36.047 2.131 0.836 0.556 0.875 0.438 CB 1.439 27 residues pruned to eliminate duplicates V: 19 37.221 2.103 1.004 0.949 1.000 0.722 CB 1.436 19 residues pruned to eliminate duplicates W: 10 18.148 1.933 0.733 0.766 1.000 0.778 CB 1.427 10 residues pruned to eliminate duplicates X: 16 19.710 1.892 0.773 0.916 1.000 0.733 CB 1.071 14 residues pruned to eliminate duplicates Y: 14 29.746 2.223 0.921 0.851 1.000 0.615 CB 1.431 14 residues pruned to eliminate duplicates Z: 19 30.638 1.989 0.847 0.945 1.000 0.556 CB 1.361 Z: 17 14.898 2.119 0.821 0.374 0.750 0.375 CB 1.472 Z: 15 23.332 2.029 0.870 0.861 0.929 0.714 CA 1.300 15 residues pruned to eliminate duplicates Z: 34 20.563 1.795 0.641 0.567 0.939 0.606 CB 1.211 17 residues pruned to eliminate duplicates Z: 20 16.317 1.905 0.967 0.509 0.895 0.632 CB 1.106 Z: 14 18.395 1.879 0.614 0.937 1.000 0.923 CB 1.170 14 residues pruned to eliminate duplicates Z: 20 30.569 2.076 0.789 0.935 0.895 0.684 CB 1.470 20 residues pruned to eliminate duplicates Z: 15 27.264 1.993 1.094 0.914 1.000 0.714 CB 1.235 29 residues pruned to eliminate duplicates Z: 10 10.553 2.110 0.515 0.467 0.889 0.778 CB 1.281 Z: 25 22.251 2.083 0.914 0.518 0.958 0.542 CB 1.168 25 residues pruned to eliminate duplicates Z: 14 27.587 2.228 0.709 0.897 1.000 0.769 CB 1.438 14 residues pruned to eliminate duplicates Z: 21 14.036 2.075 0.539 0.375 0.800 0.300 CB 1.404 8 residues pruned to eliminate duplicates Z: 21 15.312 1.989 0.694 0.507 0.900 0.650 CB 1.122 21 residues pruned to eliminate duplicates Z: 33 30.538 2.098 0.794 0.569 0.938 0.625 CB 1.431 34 residues pruned to eliminate duplicates Z: 6 6.236 1.881 -0.134 0.840 1.000 1.000 CA 1.277 6 residues pruned to eliminate duplicates Z: 10 21.836 2.203 1.116 0.873 0.889 0.444 CB 1.279 10 residues pruned to eliminate duplicates Z: 53 39.537 2.154 0.833 0.624 0.904 0.635 CB 1.367 42 residues pruned to eliminate duplicates Z: 14 12.187 1.744 0.392 0.842 1.000 0.846 CB 1.038 Z: 8 10.503 1.889 0.850 0.474 0.857 0.571 CA 1.360 8 residues pruned to eliminate duplicates Z: 13 21.703 2.081 1.028 0.876 0.917 0.750 CB 1.177 13 residues pruned to eliminate duplicates Z: 14 32.838 2.218 1.037 0.878 1.000 0.692 CB 1.464 14 residues pruned to eliminate duplicates Z: 11 16.205 2.108 0.800 0.809 0.800 0.600 CA 1.289 11 residues pruned to eliminate duplicates Z: 20 16.223 1.880 0.951 0.379 0.789 0.474 CB 1.462 20 residues pruned to eliminate duplicates Z: 20 25.554 2.028 0.648 0.863 0.947 0.737 CB 1.358 20 residues pruned to eliminate duplicates Z: 6 11.467 1.835 0.645 0.846 1.000 1.000 CB 1.261 Z: 14 27.207 2.161 0.756 0.855 1.000 0.769 CB 1.468 14 residues pruned to eliminate duplicates Z: 44 31.360 2.133 0.741 0.569 0.930 0.512 CB 1.295 41 residues pruned to eliminate duplicates Z: 8 19.262 1.960 1.036 0.792 1.000 0.857 CB 1.412 8 residues pruned to eliminate duplicates Z: 14 26.677 2.219 0.629 0.884 1.000 0.923 CA 1.478 26 residues pruned to eliminate duplicates Z: 7 7.813 2.030 0.640 0.429 0.833 0.667 CB 1.238 Z: 6 10.329 1.848 0.580 0.843 1.000 0.800 CB 1.178 6 residues pruned to eliminate duplicates Z: 6 14.863 1.916 0.627 0.853 1.000 1.000 CB 1.576 7 residues pruned to eliminate duplicates Z: 13 22.466 2.008 0.638 0.893 1.000 0.583 CB 1.416 13 residues pruned to eliminate duplicates Z: 13 14.603 1.925 0.451 0.820 1.000 0.500 CA 1.144 14 residues pruned to eliminate duplicates Z: 16 28.086 2.082 0.977 0.931 0.867 0.533 CB 1.421 16 residues pruned to eliminate duplicates Z: 7 3.620 1.476 0.107 0.521 1.000 0.833 CB 0.886 Z: 8 17.640 1.956 0.859 0.874 1.000 1.000 CB 1.335 8 residues pruned to eliminate duplicates Z: 20 25.827 1.845 0.949 0.923 0.947 0.684 CB 1.222 20 residues pruned to eliminate duplicates Z: 54 38.547 2.160 0.817 0.568 0.925 0.434 CB 1.366 42 residues pruned to eliminate duplicates Z: 65 33.763 2.000 0.651 0.614 0.922 0.547 CB 1.244 56 residues pruned to eliminate duplicates Z: 22 24.327 2.081 0.390 0.775 1.000 0.857 CB 1.439 22 residues pruned to eliminate duplicates Z: 6 6.475 1.815 0.078 0.708 1.000 0.600 CA 1.225 Z: 12 12.372 1.711 0.531 0.920 1.000 0.818 CB 1.003 Z: 15 26.629 2.147 0.912 0.809 0.929 0.571 CA 1.426 15 residues pruned to eliminate duplicates Z: 13 14.864 1.918 0.494 0.858 0.917 0.667 CB 1.203 13 residues pruned to eliminate duplicates Z: 13 16.017 1.832 0.776 0.533 0.833 0.333 O 1.651 Z: 20 25.621 1.968 0.602 0.933 1.000 0.737 CB 1.302 19 residues pruned to eliminate duplicates Z: 14 24.600 2.152 0.588 0.895 1.000 1.000 CB 1.431 14 residues pruned to eliminate duplicates Z: 20 12.923 2.053 0.332 0.470 0.895 0.368 CB 1.250 6 residues pruned to eliminate duplicates Z: 19 32.942 2.016 1.114 0.939 1.000 0.500 CB 1.266 19 residues pruned to eliminate duplicates Z: 18 9.359 1.868 0.370 0.395 0.824 0.353 CB 1.204 Z: 14 12.452 1.804 0.510 0.856 0.846 0.769 CA 1.105 14 residues pruned to eliminate duplicates Z: 14 14.935 1.861 0.648 0.856 0.846 0.462 CA 1.177 14 residues pruned to eliminate duplicates Z: 19 21.222 2.043 0.267 0.919 0.944 0.833 CB 1.441 19 residues pruned to eliminate duplicates Z: 15 19.502 2.033 0.539 0.854 0.929 0.929 CA 1.326 15 residues pruned to eliminate duplicates Z: 15 21.210 2.163 0.446 0.828 1.000 0.786 CA 1.365 15 residues pruned to eliminate duplicates Z: 15 12.134 1.847 0.792 0.391 0.786 0.357 CB 1.399 15 residues pruned to eliminate duplicates Z: 16 22.125 1.947 0.793 0.894 1.000 0.933 CB 1.174 16 residues pruned to eliminate duplicates Z: 11 15.995 1.710 0.634 0.816 1.000 0.400 CB 1.376 Z: 14 24.343 2.127 0.863 0.901 1.000 0.846 CB 1.216 17 residues pruned to eliminate duplicates Z: 14 17.159 1.957 0.520 0.872 0.923 0.846 CA 1.263 13 residues pruned to eliminate duplicates Z: 7 7.789 1.801 0.764 0.642 0.833 0.667 CA 1.052 7 residues pruned to eliminate duplicates Z: 16 11.837 2.053 0.526 0.294 0.867 0.333 CB 1.418 16 residues pruned to eliminate duplicates Z: 67 36.643 2.094 0.663 0.482 0.894 0.561 CB 1.475 66 residues pruned to eliminate duplicates Z: 15 21.301 2.147 0.616 0.829 0.929 0.643 CA 1.330 15 residues pruned to eliminate duplicates Z: 20 29.072 1.982 0.708 0.909 0.947 0.895 CA 1.476 20 residues pruned to eliminate duplicates Z: 13 21.824 2.056 0.537 0.922 1.000 0.667 CA 1.401 13 residues pruned to eliminate duplicates Z: 11 9.899 1.780 0.584 0.679 0.900 0.600 CB 1.046 11 residues pruned to eliminate duplicates Z: 20 21.730 1.942 0.800 0.513 1.000 0.632 CB 1.407 19 residues pruned to eliminate duplicates Z: 14 17.045 1.948 0.584 0.868 0.846 0.769 CA 1.324 14 residues pruned to eliminate duplicates Z: 6 10.924 2.084 0.794 0.660 0.800 0.800 CA 1.408 7 residues pruned to eliminate duplicates Z: 38 25.931 1.997 0.653 0.511 0.946 0.486 CB 1.350 40 residues pruned to eliminate duplicates Z: 21 31.770 2.071 0.680 0.918 1.000 0.900 CB 1.440 21 residues pruned to eliminate duplicates Z: 10 7.386 1.554 0.384 0.928 1.000 1.000 CB 0.801 Z: 21 27.966 2.034 0.448 0.893 1.000 0.750 CB 1.524 21 residues pruned to eliminate duplicates Z: 7 3.384 1.552 0.268 0.672 0.833 0.667 CA 0.719 7 residues pruned to eliminate duplicates Z: 18 10.055 1.848 0.370 0.499 0.824 0.294 CB 1.171 24 residues pruned to eliminate duplicates Z: 13 18.704 1.987 0.657 0.848 0.917 0.833 CB 1.327 13 residues pruned to eliminate duplicates Z: 13 25.041 2.160 0.695 0.908 1.000 0.917 CB 1.402 13 residues pruned to eliminate duplicates Z: 7 8.018 1.826 1.284 0.525 1.000 0.667 CB 0.766 7 residues pruned to eliminate duplicates Z: 12 11.037 1.917 0.545 0.419 0.909 0.727 CA 1.346 11 residues pruned to eliminate duplicates Z: 15 16.484 1.763 0.421 0.908 1.000 1.000 CB 1.249 12 residues pruned to eliminate duplicates Z: 6 6.987 1.726 0.257 0.889 1.000 1.000 CB 1.037 6 residues pruned to eliminate duplicates Z: 42 25.817 2.043 0.661 0.425 0.829 0.439 CB 1.548 42 residues pruned to eliminate duplicates Z: 14 20.209 1.982 0.685 0.883 0.923 0.538 CB 1.315 14 residues pruned to eliminate duplicates Z: 15 21.347 2.128 0.375 0.820 1.000 0.857 CA 1.476 15 residues pruned to eliminate duplicates Z: 17 10.804 1.717 0.522 0.441 0.875 0.438 CB 1.255 13 residues pruned to eliminate duplicates Z: 11 14.298 1.659 0.471 0.883 1.000 0.700 CB 1.340 11 residues pruned to eliminate duplicates Z: 6 11.164 2.058 0.465 0.708 1.000 0.800 CB 1.371 Z: 27 31.439 2.049 0.894 0.745 0.962 0.462 CB 1.327 21 residues pruned to eliminate duplicates Z: 7 2.704 1.509 0.278 0.388 0.833 0.500 CB 0.774 Z: 14 20.002 2.056 0.552 0.853 1.000 0.769 CB 1.286 14 residues pruned to eliminate duplicates Z: 10 11.329 1.702 0.343 0.860 0.889 0.778 CA 1.367 10 residues pruned to eliminate duplicates Z: 48 28.799 2.082 0.676 0.551 0.830 0.489 CB 1.381 44 residues pruned to eliminate duplicates Z: 25 11.736 1.704 0.472 0.442 0.958 0.542 CB 1.057 Z: 24 19.992 2.071 0.642 0.425 0.913 0.478 CA 1.451 24 residues pruned to eliminate duplicates Z: 13 18.501 1.914 0.643 0.797 1.000 0.833 CB 1.309 13 residues pruned to eliminate duplicates Z: 16 10.294 1.956 0.541 0.405 0.667 0.600 CB 1.462 16 residues pruned to eliminate duplicates Z: 6 9.969 1.871 0.184 0.865 1.000 1.000 N 1.474 6 residues pruned to eliminate duplicates Z: 13 18.766 2.010 0.400 0.896 1.000 0.750 CB 1.379 13 residues pruned to eliminate duplicates Z: 6 11.238 1.819 0.391 0.864 1.000 1.000 N 1.457 6 residues pruned to eliminate duplicates Z: 14 9.737 1.781 0.301 0.511 0.923 0.615 CB 1.248 14 residues pruned to eliminate duplicates Z: 13 22.259 1.933 1.138 0.934 1.000 0.750 CB 1.084 13 residues pruned to eliminate duplicates Z: 9 6.533 1.693 0.111 0.636 0.875 0.625 CB 1.236 Z: 31 19.851 1.823 0.586 0.672 1.000 0.633 CB 1.070 25 residues pruned to eliminate duplicates Z: 20 28.757 2.088 0.490 0.947 1.000 0.895 CB 1.466 20 residues pruned to eliminate duplicates Z: 33 13.750 1.899 0.631 0.392 0.781 0.438 CB 1.126 33 residues pruned to eliminate duplicates Z: 10 11.024 1.827 0.724 0.620 0.889 0.556 CB 1.172 10 residues pruned to eliminate duplicates Z: 12 13.511 1.924 0.610 0.609 0.818 0.364 CB 1.450 13 residues pruned to eliminate duplicates Z: 13 17.680 2.088 0.829 0.879 0.750 0.500 CB 1.292 13 residues pruned to eliminate duplicates Z: 64 36.010 2.021 0.700 0.610 0.889 0.524 CB 1.339 65 residues pruned to eliminate duplicates Z: 19 25.954 1.990 0.627 0.946 1.000 0.944 CA 1.306 19 residues pruned to eliminate duplicates Z: 7 3.716 1.549 0.374 0.397 1.000 0.500 CB 0.795 7 residues pruned to eliminate duplicates Z: 20 14.060 1.957 0.480 0.431 0.947 0.632 CB 1.262 19 residues pruned to eliminate duplicates Z: 11 20.830 2.088 1.168 0.871 0.800 0.400 CA 1.326 11 residues pruned to eliminate duplicates Z: 18 10.496 1.802 0.546 0.446 0.824 0.471 CB 1.173 18 residues pruned to eliminate duplicates Z: 19 13.317 1.803 0.633 0.456 0.833 0.667 CA 1.337 Z: 14 20.817 1.994 0.688 0.884 0.923 0.769 CA 1.343 14 residues pruned to eliminate duplicates Z: 13 16.343 1.672 0.920 0.927 1.000 0.667 CB 1.029 14 residues pruned to eliminate duplicates Z: 34 36.416 2.203 0.732 0.591 0.970 0.636 CB 1.570 34 residues pruned to eliminate duplicates Z: 28 22.456 1.895 0.852 0.575 0.889 0.519 CB 1.289 28 residues pruned to eliminate duplicates Z: 47 37.265 2.122 0.743 0.539 0.935 0.717 CA 1.530 47 residues pruned to eliminate duplicates Z: 8 7.855 1.642 0.264 0.839 1.000 0.714 CB 1.068 8 residues pruned to eliminate duplicates Z: 9 5.692 1.815 0.334 0.391 0.750 0.625 CB 1.243 9 residues pruned to eliminate duplicates Z: 27 29.604 2.098 0.732 0.756 0.923 0.654 CB 1.378 27 residues pruned to eliminate duplicates Z: 19 25.645 1.917 1.123 0.939 0.889 0.500 CB 1.162 19 residues pruned to eliminate duplicates Z: 17 11.178 1.852 0.477 0.507 0.875 0.375 CB 1.159 16 residues pruned to eliminate duplicates Z: 13 16.068 1.973 0.450 0.897 0.917 0.917 CB 1.266 13 residues pruned to eliminate duplicates Z: 20 25.411 1.945 0.731 0.928 0.947 0.842 CB 1.280 20 residues pruned to eliminate duplicates Z: 11 12.532 1.933 0.437 0.773 0.900 0.800 CA 1.246 11 residues pruned to eliminate duplicates Z: 29 36.583 2.110 1.004 0.765 0.964 0.357 CB 1.340 30 residues pruned to eliminate duplicates Z: 11 17.508 1.856 0.662 0.792 1.000 0.900 CB 1.389 10 residues pruned to eliminate duplicates Z: 21 26.765 1.928 0.855 0.909 0.950 0.550 CB 1.250 21 residues pruned to eliminate duplicates Z: 12 16.381 1.923 0.453 0.910 1.000 0.636 CB 1.254 13 residues pruned to eliminate duplicates Z: 8 10.317 1.782 0.957 0.591 0.857 0.429 CA 1.195 8 residues pruned to eliminate duplicates Z: 11 7.075 1.821 0.248 0.370 1.000 0.400 CB 1.132 11 residues pruned to eliminate duplicates Z: 6 3.965 1.887 0.620 0.640 0.400 0.400 CA 1.271 Z: 9 6.053 1.489 0.154 0.854 1.000 0.750 CB 0.920 Z: 12 22.987 2.062 0.668 0.913 1.000 0.727 CB 1.426 12 residues pruned to eliminate duplicates Z: 15 14.890 1.780 0.360 0.899 1.000 0.857 CB 1.175 15 residues pruned to eliminate duplicates Z: 36 35.408 2.184 0.744 0.571 0.971 0.514 CA 1.510 36 residues pruned to eliminate duplicates Z: 36 28.933 2.145 0.725 0.532 0.914 0.629 CB 1.400 36 residues pruned to eliminate duplicates Z: 13 14.583 1.918 0.489 0.878 1.000 0.917 CA 1.070 13 residues pruned to eliminate duplicates Z: 8 11.093 1.962 0.756 0.476 1.000 0.857 CB 1.246 8 residues pruned to eliminate duplicates Z: 21 27.760 2.060 0.404 0.916 1.000 0.850 CB 1.516 21 residues pruned to eliminate duplicates Z: 6 7.331 1.809 0.579 0.742 0.600 0.400 O 1.541 7 residues pruned to eliminate duplicates Z: 8 2.410 1.491 -0.017 0.436 0.857 0.857 CB 0.774 8 residues pruned to eliminate duplicates Z: 14 31.585 2.131 1.148 0.939 1.000 0.846 CB 1.331 18 residues pruned to eliminate duplicates Z: 60 42.188 2.034 0.817 0.681 0.949 0.559 CB 1.326 60 residues pruned to eliminate duplicates Z: 38 29.383 1.944 0.823 0.681 0.919 0.514 CB 1.257 38 residues pruned to eliminate duplicates Z: 8 4.290 1.795 0.334 0.244 1.000 0.571 CB 0.910 Z: 7 7.086 1.805 0.562 0.434 0.833 0.667 N 1.318 Z: 15 8.260 1.678 0.257 0.542 0.929 0.500 CB 1.082 15 residues pruned to eliminate duplicates Z: 14 14.637 1.744 0.527 0.909 1.000 0.923 CB 1.082 13 residues pruned to eliminate duplicates Z: 15 24.149 1.954 0.904 0.927 1.000 0.643 CB 1.216 15 residues pruned to eliminate duplicates Z: 15 12.076 1.869 0.304 0.519 1.000 0.357 CB 1.300 9 residues pruned to eliminate duplicates Z: 20 18.881 2.175 0.694 0.644 0.895 0.737 CB 1.148 20 residues pruned to eliminate duplicates Z: 14 17.488 1.783 0.650 0.916 1.000 0.769 CB 1.164 14 residues pruned to eliminate duplicates Z: 26 14.663 1.873 0.730 0.362 0.880 0.520 CB 1.192 26 residues pruned to eliminate duplicates Z: 9 15.598 1.985 0.614 0.872 1.000 1.000 CA 1.254 9 residues pruned to eliminate duplicates Z: 8 15.098 1.784 0.682 0.870 1.000 0.857 CB 1.389 7 residues pruned to eliminate duplicates Z: 6 4.218 1.751 0.497 0.588 1.000 0.800 CB 0.661 6 residues pruned to eliminate duplicates Z: 9 12.554 1.853 0.818 0.514 0.875 0.625 CB 1.485 9 residues pruned to eliminate duplicates Z: 15 29.529 2.029 1.036 0.851 1.000 0.643 CB 1.415 15 residues pruned to eliminate duplicates Z: 21 19.651 2.016 0.583 0.508 1.000 0.600 CB 1.367 21 residues pruned to eliminate duplicates Z: 25 29.115 1.991 1.056 0.790 0.958 0.750 CB 1.174 24 residues pruned to eliminate duplicates Z: 7 6.327 1.471 0.804 0.566 1.000 0.667 CB 0.914 7 residues pruned to eliminate duplicates Z: 65 37.678 2.004 0.713 0.640 0.906 0.594 CB 1.328 64 residues pruned to eliminate duplicates Z: 9 7.211 1.455 0.425 0.896 0.875 0.750 CB 1.006 Z: 9 8.837 1.791 0.784 0.426 0.750 0.500 CA 1.408 9 residues pruned to eliminate duplicates Z: 18 32.335 2.198 1.002 0.912 0.824 0.647 CA 1.533 25 residues pruned to eliminate duplicates Z: 20 22.503 2.133 0.686 0.541 0.947 0.632 CB 1.456 20 residues pruned to eliminate duplicates Z: 11 15.034 1.707 0.659 0.902 1.000 0.500 CB 1.198 11 residues pruned to eliminate duplicates Z: 39 34.639 2.133 0.807 0.530 0.974 0.526 CB 1.453 44 residues pruned to eliminate duplicates Z: 11 17.497 1.986 0.765 0.887 0.900 0.700 CB 1.265 11 residues pruned to eliminate duplicates Z: 15 16.801 1.704 0.517 0.921 1.000 0.929 CB 1.223 15 residues pruned to eliminate duplicates Z: 13 20.120 2.039 0.653 0.872 0.917 0.833 CA 1.370 13 residues pruned to eliminate duplicates Z: 14 29.053 2.243 0.672 0.879 1.000 0.769 CB 1.558 14 residues pruned to eliminate duplicates Z: 14 9.866 1.863 0.343 0.503 0.846 0.538 CB 1.288 14 residues pruned to eliminate duplicates Z: 13 18.757 1.908 0.787 0.890 1.000 0.750 CB 1.142 12 residues pruned to eliminate duplicates Z: 6 3.864 1.688 0.029 0.881 1.000 1.000 CB 0.720 6 residues pruned to eliminate duplicates Z: 10 7.501 1.521 0.395 0.903 1.000 1.000 CB 0.840 9 residues pruned to eliminate duplicates Z: 40 24.232 1.861 0.838 0.622 0.872 0.590 CB 1.160 40 residues pruned to eliminate duplicates Z: 16 19.614 1.830 0.730 0.895 1.000 0.733 CB 1.146 16 residues pruned to eliminate duplicates Z: 12 7.843 1.880 0.418 0.372 0.818 0.636 CB 1.243 9 residues pruned to eliminate duplicates Z: 11 15.974 2.104 0.840 0.513 0.900 0.700 CA 1.432 11 residues pruned to eliminate duplicates Z: 13 36.256 2.179 1.438 0.938 1.000 0.750 CB 1.370 13 residues pruned to eliminate duplicates Z: 7 15.099 2.017 0.456 0.833 1.000 0.833 CB 1.575 8 residues pruned to eliminate duplicates Z: 22 12.698 1.840 0.552 0.311 0.905 0.571 CB 1.323 17 residues pruned to eliminate duplicates Z: 7 8.867 1.973 0.736 0.501 0.833 0.500 CA 1.266 7 residues pruned to eliminate duplicates Z: 54 41.675 2.173 0.949 0.557 0.906 0.642 CB 1.412 54 residues pruned to eliminate duplicates Z: 10 11.918 2.005 0.400 0.539 1.000 0.778 CB 1.362 10 residues pruned to eliminate duplicates Z: 9 7.426 1.559 0.321 0.903 1.000 1.000 CB 0.909 8 residues pruned to eliminate duplicates Z: 14 9.261 1.776 0.894 0.489 0.692 0.385 CB 1.115 14 residues pruned to eliminate duplicates Z: 9 11.887 1.895 0.389 0.865 1.000 1.000 CA 1.170 9 residues pruned to eliminate duplicates Z: 11 8.998 1.754 0.362 0.740 1.000 1.000 CB 0.960 11 residues pruned to eliminate duplicates Z: 12 12.729 1.737 0.297 0.921 1.000 0.909 CB 1.198 12 residues pruned to eliminate duplicates Z: 13 20.248 1.961 0.738 0.868 1.000 0.833 CA 1.253 13 residues pruned to eliminate duplicates Z: 6 2.773 1.140 0.554 0.486 1.000 0.400 C 0.710 Z: 10 5.600 1.525 0.281 0.875 1.000 0.667 CB 0.695 9 residues pruned to eliminate duplicates Z: 12 15.532 1.671 0.588 0.895 1.000 0.909 CB 1.265 11 residues pruned to eliminate duplicates Z: 6 4.483 1.704 0.286 0.787 0.800 0.600 CB 0.888 6 residues pruned to eliminate duplicates Z: 11 8.901 1.738 0.392 0.401 0.900 0.300 CA 1.435 6 residues pruned to eliminate duplicates Z: 20 8.097 1.892 0.164 0.408 0.789 0.421 CB 1.176 20 residues pruned to eliminate duplicates Z: 13 12.259 1.727 0.666 0.578 0.917 0.417 CA 1.245 12 residues pruned to eliminate duplicates Z: 13 9.792 1.774 0.541 0.572 1.000 0.667 CB 0.965 13 residues pruned to eliminate duplicates Z: 14 10.127 1.768 0.474 0.450 0.846 0.538 CB 1.341 12 residues pruned to eliminate duplicates Z: 9 6.798 1.534 0.359 0.809 0.875 0.500 CB 1.007 9 residues pruned to eliminate duplicates Z: 16 10.129 1.764 0.694 0.413 0.800 0.467 CB 1.198 16 residues pruned to eliminate duplicates Z: 6 5.156 1.851 0.133 0.583 1.000 0.600 CB 1.014 6 residues pruned to eliminate duplicates Z: 8 7.471 1.776 0.435 0.444 1.000 0.429 CB 1.173 7 residues pruned to eliminate duplicates Z: 16 18.794 2.036 0.482 0.821 0.933 0.600 CA 1.304 16 residues pruned to eliminate duplicates Z: 15 16.223 1.859 0.791 0.716 0.857 0.571 CB 1.249 15 residues pruned to eliminate duplicates Z: 16 11.436 1.786 0.667 0.501 0.933 0.533 CB 1.062 16 residues pruned to eliminate duplicates Z: 6 4.667 1.523 0.446 0.856 1.000 0.800 CB 0.699 6 residues pruned to eliminate duplicates Z: 8 8.115 1.538 0.765 0.815 0.857 0.714 CA 1.002 8 residues pruned to eliminate duplicates Z: 12 15.465 1.955 0.644 0.872 1.000 0.727 CA 1.058 12 residues pruned to eliminate duplicates Z: 8 10.554 2.112 0.306 0.584 0.857 0.714 CA 1.557 8 residues pruned to eliminate duplicates Z: 9 5.133 2.029 0.243 0.365 0.750 0.750 CA 1.109 9 residues pruned to eliminate duplicates Z: 11 14.048 1.769 0.335 0.901 1.000 0.800 CB 1.343 11 residues pruned to eliminate duplicates Z: 31 11.921 1.722 0.468 0.409 0.900 0.633 CB 1.052 30 residues pruned to eliminate duplicates Z: 6 3.871 1.500 0.371 0.503 0.800 0.600 CA 1.049 6 residues pruned to eliminate duplicates Z: 11 12.825 1.958 0.448 0.855 0.900 0.800 CA 1.173 11 residues pruned to eliminate duplicates Z: 16 17.898 1.753 0.434 0.909 1.000 0.867 CB 1.306 16 residues pruned to eliminate duplicates Z: 15 26.335 1.968 1.052 0.913 1.000 0.714 CB 1.233 15 residues pruned to eliminate duplicates Z: 7 8.639 1.844 0.353 0.839 1.000 1.000 CB 1.056 7 residues pruned to eliminate duplicates Z: 6 6.813 1.990 0.252 0.802 1.000 0.600 CB 0.939 6 residues pruned to eliminate duplicates Z: 20 34.984 2.057 0.899 0.939 1.000 0.421 CB 1.427 20 residues pruned to eliminate duplicates Z: 44 37.857 2.126 0.953 0.570 0.907 0.628 CB 1.432 51 residues pruned to eliminate duplicates Z: 13 19.735 2.055 0.533 0.891 1.000 0.833 CB 1.299 13 residues pruned to eliminate duplicates Z: 11 6.023 1.563 0.243 0.501 0.900 0.400 CB 1.088 10 residues pruned to eliminate duplicates Z: 7 8.146 1.713 0.453 0.850 1.000 0.500 CB 0.989 7 residues pruned to eliminate duplicates Z: 13 22.352 2.068 0.548 0.897 1.000 0.750 CA 1.442 13 residues pruned to eliminate duplicates 6 1.212 1.134 0.186 0.277 0.800 0.200 CB 0.648 ? Z: 6 3.126 1.664 0.167 0.487 0.600 0.400 CA 1.216 6 residues pruned to eliminate duplicates Z: 13 23.414 2.120 0.512 0.895 1.000 1.000 CA 1.511 13 residues pruned to eliminate duplicates Z: 6 2.846 2.090 0.299 0.100 0.800 0.600 CB 0.977 6 residues pruned to eliminate duplicates Z: 6 2.609 1.492 -0.099 0.886 1.000 1.000 CB 0.626 6 residues pruned to eliminate duplicates Z: 9 8.399 1.977 0.407 0.392 1.000 0.500 CB 1.196 9 residues pruned to eliminate duplicates Z: 9 14.460 1.846 0.722 0.906 1.000 1.000 CA 1.144 9 residues pruned to eliminate duplicates Z: 34 23.982 1.872 0.810 0.656 0.848 0.394 CB 1.256 34 residues pruned to eliminate duplicates Z: 19 26.238 2.036 0.509 0.937 1.000 0.944 CB 1.401 19 residues pruned to eliminate duplicates Z: 15 26.529 2.136 0.998 0.777 0.929 0.500 CA 1.401 15 residues pruned to eliminate duplicates Z: 18 24.239 1.999 0.607 0.724 1.000 0.529 CA 1.496 12 residues pruned to eliminate duplicates Z: 6 4.973 1.551 0.594 0.878 1.000 1.000 CB 0.653 6 residues pruned to eliminate duplicates Z: 6 6.893 1.319 0.914 0.748 1.000 1.000 O 0.979 6 residues pruned to eliminate duplicates Z: 11 7.524 1.791 0.270 0.595 0.800 0.600 CA 1.194 11 residues pruned to eliminate duplicates Z: 15 18.445 1.992 0.555 0.769 1.000 0.714 CB 1.254 15 residues pruned to eliminate duplicates Z: 11 8.598 1.883 0.371 0.582 1.000 0.700 CB 0.973 11 residues pruned to eliminate duplicates Z: 12 14.789 2.087 0.827 0.550 0.909 0.727 CA 1.224 12 residues pruned to eliminate duplicates Z: 13 5.949 1.597 0.291 0.594 0.833 0.583 CB 0.914 13 residues pruned to eliminate duplicates Z: 10 3.310 1.554 0.362 0.166 0.889 0.222 CB 0.880 10 residues pruned to eliminate duplicates Z: 12 5.939 1.831 0.198 0.199 0.909 0.455 CB 1.285 12 residues pruned to eliminate duplicates Z: 7 4.749 1.500 0.205 0.820 1.000 0.833 CB 0.813 7 residues pruned to eliminate duplicates Z: 30 17.039 1.845 0.363 0.564 0.931 0.759 CB 1.269 30 residues pruned to eliminate duplicates 6 1.188 1.524 0.326 0.509 1.000 0.400 CB 0.261 ? Z: 16 15.558 2.054 0.311 0.416 1.000 0.467 CB 1.629 16 residues pruned to eliminate duplicates 6 1.300 1.131 0.238 0.843 1.000 1.000 CB 0.309 ? Z: 14 21.577 1.981 0.843 0.898 0.923 0.615 CB 1.270 14 residues pruned to eliminate duplicates Z: 15 20.835 1.938 0.598 0.919 1.000 0.929 CB 1.267 15 residues pruned to eliminate duplicates Z: 17 16.645 1.900 0.862 0.341 0.875 0.438 CA 1.598 17 residues pruned to eliminate duplicates Z: 28 18.501 1.843 0.474 0.581 1.000 0.741 CB 1.213 28 residues pruned to eliminate duplicates Z: 12 4.742 1.385 0.650 0.279 0.818 0.364 CA 0.982 12 residues pruned to eliminate duplicates Z: 10 13.745 1.769 0.580 0.910 1.000 0.556 CB 1.163 10 residues pruned to eliminate duplicates 6 1.469 1.487 0.379 0.100 0.600 0.400 CB 0.890 ? Z: 19 37.131 2.045 1.024 0.947 1.000 0.389 CB 1.462 19 residues pruned to eliminate duplicates Z: 6 4.928 1.670 0.298 0.467 1.000 0.600 CA 1.052 6 residues pruned to eliminate duplicates Z: 12 9.971 1.884 0.548 0.511 0.818 0.727 CA 1.246 12 residues pruned to eliminate duplicates Z: 15 12.524 1.762 0.117 0.906 1.000 0.929 CB 1.210 15 residues pruned to eliminate duplicates Z: 11 13.110 1.810 0.623 0.894 1.000 0.800 CB 1.012 11 residues pruned to eliminate duplicates Z: 22 18.730 1.876 0.821 0.507 0.952 0.476 CB 1.248 22 residues pruned to eliminate duplicates Z: 23 13.743 1.737 0.660 0.377 0.909 0.545 CB 1.274 23 residues pruned to eliminate duplicates Z: 18 21.187 2.090 0.769 0.519 0.941 0.647 CA 1.449 18 residues pruned to eliminate duplicates Z: 12 11.320 1.873 0.301 0.585 1.000 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 18 17.903 1.919 0.508 0.768 1.000 0.941 CA 1.183 19 residues pruned to eliminate duplicates Z: 50 27.511 1.880 0.421 0.666 1.000 0.714 CB 1.263 50 residues pruned to eliminate duplicates Z: 18 10.943 1.748 0.525 0.402 0.941 0.412 CB 1.173 18 residues pruned to eliminate duplicates 489 residues left after pruning, divided into chains as follows: A: 7 B: 37 C: 8 D: 9 E: 10 F: 25 G: 16 H: 55 I: 94 J: 90 K: 21 L: 36 M: 22 N: 59 CC for partial structure against native data = 33.46 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.299, Contrast = 0.433, Connect. = 0.744 for dens.mod. cycle 1 = 0.299, Contrast = 0.487, Connect. = 0.760 for dens.mod. cycle 2 = 0.299, Contrast = 0.626, Connect. = 0.798 for dens.mod. cycle 3 = 0.299, Contrast = 0.640, Connect. = 0.800 for dens.mod. cycle 4 = 0.299, Contrast = 0.657, Connect. = 0.802 for dens.mod. cycle 5 = 0.299, Contrast = 0.665, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.674, Connect. = 0.805 for dens.mod. cycle 7 = 0.299, Contrast = 0.680, Connect. = 0.806 for dens.mod. cycle 8 = 0.299, Contrast = 0.686, Connect. = 0.807 for dens.mod. cycle 9 = 0.299, Contrast = 0.690, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2685 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 562 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 32.400 2.417 0.750 0.881 1.000 0.923 CB 1.538 B: 11 14.068 1.993 0.539 0.650 0.900 0.600 CA 1.402 C: 16 22.931 2.203 0.498 0.908 0.933 0.733 CB 1.365 D: 15 23.535 2.289 0.340 0.859 0.929 0.857 CB 1.625 15 residues pruned to eliminate duplicates E: 23 20.065 2.074 0.638 0.444 0.909 0.636 CB 1.467 F: 18 31.457 2.205 0.726 0.915 0.882 0.529 CB 1.606 G: 21 36.267 2.241 0.595 0.946 1.000 0.900 CB 1.569 18 residues pruned to eliminate duplicates H: 14 31.646 2.361 0.528 0.906 1.000 0.923 CB 1.731 I: 15 29.711 2.264 0.739 0.899 0.929 0.643 CA 1.552 J: 39 23.190 2.062 0.293 0.567 0.868 0.605 CA 1.524 K: 76 42.743 2.285 0.466 0.565 0.933 0.547 CB 1.482 21 residues pruned to eliminate duplicates L: 15 25.841 2.298 0.317 0.925 1.000 0.929 CB 1.601 16 residues pruned to eliminate duplicates M: 20 28.709 2.247 0.340 0.935 1.000 0.895 CB 1.524 20 residues pruned to eliminate duplicates N: 14 43.435 2.394 1.237 0.930 1.000 0.692 CB 1.574 14 residues pruned to eliminate duplicates O: 21 39.424 2.297 0.772 0.919 0.950 0.650 CB 1.607 21 residues pruned to eliminate duplicates P: 19 28.896 2.290 0.634 0.776 0.944 0.611 CA 1.510 4 residues pruned to eliminate duplicates Q: 15 24.178 2.231 0.475 0.899 0.929 0.857 CA 1.511 15 residues pruned to eliminate duplicates R: 16 17.739 2.119 0.570 0.832 0.733 0.400 CA 1.409 16 residues pruned to eliminate duplicates S: 26 17.202 2.065 0.396 0.398 0.800 0.600 CB 1.661 T: 6 4.528 1.776 0.087 0.654 0.800 0.600 C 1.136 U: 14 13.310 2.016 0.095 0.947 1.000 0.923 CB 1.155 14 residues pruned to eliminate duplicates V: 24 27.439 2.142 0.408 0.861 0.913 0.826 CB 1.527 W: 20 28.907 2.222 0.665 0.735 0.947 0.632 CA 1.532 20 residues pruned to eliminate duplicates X: 17 20.671 2.165 0.385 0.852 0.938 0.875 CB 1.359 17 residues pruned to eliminate duplicates Y: 89 44.760 2.220 0.510 0.553 0.909 0.523 CB 1.487 47 residues pruned to eliminate duplicates Z: 19 46.577 2.386 0.976 0.947 0.944 0.611 CB 1.704 19 residues pruned to eliminate duplicates Z: 14 33.268 2.445 0.613 0.897 1.000 0.692 CB 1.675 14 residues pruned to eliminate duplicates Z: 22 33.011 2.099 0.745 0.925 0.952 0.476 CB 1.450 24 residues pruned to eliminate duplicates Z: 14 41.941 2.415 1.038 0.918 1.000 0.692 CB 1.667 14 residues pruned to eliminate duplicates Z: 22 39.373 2.267 0.645 0.934 0.952 0.667 CB 1.686 22 residues pruned to eliminate duplicates Z: 70 47.673 2.305 0.656 0.554 0.884 0.580 CB 1.614 41 residues pruned to eliminate duplicates Z: 16 22.146 2.191 0.357 0.891 1.000 0.533 CB 1.383 16 residues pruned to eliminate duplicates Z: 10 13.538 2.151 0.555 0.408 1.000 0.444 CB 1.485 Z: 27 16.588 2.038 0.309 0.380 0.846 0.538 CB 1.638 27 residues pruned to eliminate duplicates Z: 10 13.094 1.720 0.452 0.738 1.000 0.556 CB 1.411 11 residues pruned to eliminate duplicates Z: 22 43.727 2.246 0.834 0.921 1.000 0.810 CB 1.629 22 residues pruned to eliminate duplicates Z: 14 38.162 2.436 0.802 0.924 1.000 0.769 CB 1.693 14 residues pruned to eliminate duplicates Z: 185 75.348 2.317 0.622 0.537 0.918 0.538 CB 1.552 197 residues pruned to eliminate duplicates Z: 7 13.448 1.885 0.467 0.792 1.000 0.833 CB 1.537 7 residues pruned to eliminate duplicates Z: 15 18.548 1.991 0.484 0.831 1.000 0.714 CA 1.260 15 residues pruned to eliminate duplicates Z: 17 37.457 2.318 0.587 0.899 1.000 0.875 CB 1.820 17 residues pruned to eliminate duplicates Z: 21 32.859 2.118 0.436 0.938 1.000 0.650 CA 1.680 21 residues pruned to eliminate duplicates Z: 23 19.121 2.025 0.597 0.492 0.909 0.636 CB 1.398 23 residues pruned to eliminate duplicates Z: 21 35.470 2.270 0.531 0.935 1.000 0.900 CB 1.590 21 residues pruned to eliminate duplicates Z: 7 8.224 1.849 0.339 0.537 0.833 0.500 CB 1.569 Z: 41 30.654 2.015 0.614 0.598 0.975 0.500 CB 1.393 39 residues pruned to eliminate duplicates Z: 106 51.861 2.266 0.545 0.558 0.905 0.476 CB 1.509 106 residues pruned to eliminate duplicates Z: 17 21.860 2.122 0.477 0.919 1.000 0.750 CB 1.228 17 residues pruned to eliminate duplicates Z: 14 19.101 1.959 0.322 0.892 1.000 0.846 CA 1.468 Z: 10 18.432 2.032 0.853 0.767 0.889 0.889 CA 1.450 9 residues pruned to eliminate duplicates Z: 15 16.022 2.077 0.301 0.898 1.000 0.643 CB 1.133 15 residues pruned to eliminate duplicates Z: 31 20.642 2.221 0.433 0.438 0.900 0.600 CB 1.403 31 residues pruned to eliminate duplicates Z: 94 52.894 2.265 0.632 0.557 0.914 0.559 CB 1.536 95 residues pruned to eliminate duplicates Z: 40 29.791 2.157 0.417 0.551 0.897 0.487 CA 1.655 35 residues pruned to eliminate duplicates Z: 83 45.854 2.345 0.532 0.550 0.878 0.549 CB 1.529 83 residues pruned to eliminate duplicates Z: 34 33.540 2.139 0.718 0.674 0.879 0.515 CB 1.540 36 residues pruned to eliminate duplicates Z: 36 29.085 2.261 0.839 0.483 0.857 0.543 CB 1.404 40 residues pruned to eliminate duplicates Z: 65 42.561 2.261 0.613 0.511 0.906 0.469 CB 1.592 65 residues pruned to eliminate duplicates Z: 75 44.075 2.299 0.593 0.523 0.892 0.581 CB 1.534 75 residues pruned to eliminate duplicates Z: 15 35.217 2.377 0.742 0.855 1.000 0.714 CB 1.677 15 residues pruned to eliminate duplicates Z: 16 30.236 2.352 0.404 0.937 0.933 0.800 CA 1.762 16 residues pruned to eliminate duplicates Z: 14 37.649 2.389 0.992 0.914 1.000 0.692 CB 1.552 14 residues pruned to eliminate duplicates Z: 7 12.759 2.091 0.178 0.870 1.000 0.833 CA 1.543 Z: 11 16.006 1.780 0.803 0.603 1.000 0.800 CA 1.430 Z: 14 32.396 2.413 0.593 0.892 1.000 0.846 CB 1.680 14 residues pruned to eliminate duplicates Z: 12 24.950 2.328 0.338 0.905 1.000 0.909 CB 1.719 12 residues pruned to eliminate duplicates Z: 6 11.126 2.049 0.242 0.847 1.000 0.800 CA 1.451 6 residues pruned to eliminate duplicates Z: 27 14.772 2.029 0.244 0.340 0.846 0.500 CB 1.614 27 residues pruned to eliminate duplicates Z: 14 39.721 2.431 0.881 0.899 1.000 0.846 CB 1.722 14 residues pruned to eliminate duplicates Z: 28 22.665 1.976 0.539 0.683 0.926 0.481 CB 1.309 31 residues pruned to eliminate duplicates Z: 14 34.055 2.430 0.787 0.900 0.923 0.923 CB 1.683 14 residues pruned to eliminate duplicates Z: 13 18.220 2.223 0.261 0.899 1.000 0.917 CB 1.341 Z: 91 48.764 2.337 0.562 0.499 0.900 0.622 CB 1.566 91 residues pruned to eliminate duplicates Z: 12 18.255 2.194 0.571 0.491 1.000 0.727 CA 1.610 12 residues pruned to eliminate duplicates Z: 7 9.038 1.956 0.603 0.738 0.667 0.500 CB 1.426 Z: 157 73.544 2.349 0.614 0.573 0.923 0.551 CB 1.569 157 residues pruned to eliminate duplicates Z: 54 44.379 2.344 0.753 0.550 0.887 0.547 CB 1.592 54 residues pruned to eliminate duplicates Z: 13 35.296 2.368 0.890 0.850 1.000 0.333 CB 1.686 13 residues pruned to eliminate duplicates Z: 7 9.091 2.039 0.294 0.556 1.000 0.833 CB 1.333 7 residues pruned to eliminate duplicates Z: 19 25.135 2.131 0.391 0.948 0.944 0.944 CA 1.461 19 residues pruned to eliminate duplicates Z: 50 35.267 2.168 0.684 0.593 0.918 0.653 CB 1.375 52 residues pruned to eliminate duplicates Z: 14 18.921 2.204 0.618 0.814 0.846 0.308 CB 1.323 14 residues pruned to eliminate duplicates Z: 13 16.345 1.836 0.448 0.848 1.000 0.833 CB 1.316 Z: 54 43.552 2.316 0.739 0.581 0.868 0.491 CB 1.582 54 residues pruned to eliminate duplicates Z: 19 30.598 2.182 0.480 0.949 1.000 0.944 CB 1.542 19 residues pruned to eliminate duplicates Z: 21 38.304 2.088 1.032 0.933 0.950 0.550 CB 1.483 21 residues pruned to eliminate duplicates Z: 15 30.961 2.351 0.749 0.902 1.000 0.857 CB 1.435 15 residues pruned to eliminate duplicates Z: 15 14.626 1.961 0.213 0.788 1.000 0.786 CA 1.276 14 residues pruned to eliminate duplicates Z: 17 11.636 2.249 0.144 0.378 0.875 0.562 CB 1.472 9 residues pruned to eliminate duplicates Z: 13 18.908 1.858 0.706 0.851 1.000 0.750 CB 1.275 13 residues pruned to eliminate duplicates Z: 7 16.547 2.069 0.342 0.869 1.000 1.000 CA 1.776 7 residues pruned to eliminate duplicates Z: 26 15.222 2.012 0.427 0.398 0.960 0.560 CB 1.230 Z: 9 10.564 1.797 0.363 0.751 1.000 0.625 CB 1.218 9 residues pruned to eliminate duplicates Z: 13 14.076 2.086 0.154 0.908 1.000 0.917 CB 1.199 13 residues pruned to eliminate duplicates Z: 59 37.931 2.086 0.719 0.636 0.897 0.500 CB 1.364 59 residues pruned to eliminate duplicates Z: 21 29.227 2.122 0.562 0.895 0.900 0.450 CA 1.570 21 residues pruned to eliminate duplicates Z: 14 36.820 2.412 0.948 0.889 1.000 0.923 CB 1.565 14 residues pruned to eliminate duplicates Z: 10 11.181 1.896 0.442 0.908 1.000 0.778 CB 0.968 Z: 9 9.532 1.834 0.221 0.891 1.000 0.875 CB 1.081 9 residues pruned to eliminate duplicates Z: 127 56.300 2.267 0.553 0.520 0.921 0.508 CB 1.518 127 residues pruned to eliminate duplicates Z: 14 20.201 2.243 0.299 0.853 0.923 0.615 CA 1.540 14 residues pruned to eliminate duplicates Z: 21 33.080 2.108 0.562 0.902 1.000 0.550 CB 1.603 21 residues pruned to eliminate duplicates Z: 61 44.722 2.346 0.518 0.588 0.933 0.700 CB 1.597 61 residues pruned to eliminate duplicates Z: 13 9.146 1.934 0.205 0.506 0.917 0.417 CA 1.229 13 residues pruned to eliminate duplicates Z: 8 10.928 1.998 0.781 0.715 0.857 0.714 CA 1.114 8 residues pruned to eliminate duplicates Z: 21 33.816 2.148 0.576 0.939 0.950 0.650 CB 1.634 21 residues pruned to eliminate duplicates Z: 18 37.628 2.404 0.787 0.948 0.882 0.471 CB 1.663 18 residues pruned to eliminate duplicates Z: 6 6.866 1.808 0.427 0.769 0.800 0.600 CB 1.173 6 residues pruned to eliminate duplicates Z: 9 8.832 1.822 0.127 0.926 1.000 1.000 CB 1.066 9 residues pruned to eliminate duplicates Z: 14 19.646 2.133 0.460 0.867 0.923 0.769 CB 1.387 13 residues pruned to eliminate duplicates Z: 21 37.803 2.129 0.657 0.945 1.000 0.850 CA 1.658 21 residues pruned to eliminate duplicates Z: 36 31.172 2.209 0.559 0.677 0.886 0.571 CB 1.467 34 residues pruned to eliminate duplicates Z: 16 14.776 2.143 0.638 0.433 0.733 0.467 CB 1.589 16 residues pruned to eliminate duplicates Z: 6 11.104 2.016 0.450 0.628 1.000 0.800 CA 1.506 6 residues pruned to eliminate duplicates Z: 23 28.959 2.292 0.602 0.629 0.955 0.682 CB 1.560 23 residues pruned to eliminate duplicates Z: 48 28.766 2.245 0.335 0.464 0.894 0.532 CB 1.626 48 residues pruned to eliminate duplicates Z: 14 16.151 2.115 0.098 0.916 1.000 0.846 CB 1.362 14 residues pruned to eliminate duplicates Z: 22 15.592 2.049 0.535 0.462 0.810 0.524 CB 1.388 22 residues pruned to eliminate duplicates Z: 14 17.576 2.245 0.010 0.915 1.000 0.846 CB 1.519 14 residues pruned to eliminate duplicates Z: 7 7.685 1.843 0.144 0.775 0.833 0.500 CB 1.400 Z: 14 17.609 2.066 0.325 0.917 1.000 0.692 CB 1.259 14 residues pruned to eliminate duplicates Z: 8 12.172 1.860 0.726 0.764 0.857 0.571 CB 1.323 8 residues pruned to eliminate duplicates Z: 31 32.710 2.361 0.692 0.536 0.933 0.633 CB 1.546 31 residues pruned to eliminate duplicates Z: 95 54.820 2.326 0.520 0.545 0.947 0.606 CB 1.617 96 residues pruned to eliminate duplicates Z: 38 28.523 2.252 0.461 0.528 0.865 0.595 CA 1.604 38 residues pruned to eliminate duplicates Z: 12 17.049 1.889 0.297 0.918 1.000 0.909 CB 1.479 Z: 22 34.379 2.228 0.617 0.902 0.952 0.762 CB 1.559 22 residues pruned to eliminate duplicates Z: 14 20.807 2.129 0.452 0.880 1.000 0.846 CB 1.354 14 residues pruned to eliminate duplicates Z: 62 35.943 2.241 0.559 0.462 0.869 0.508 CB 1.576 62 residues pruned to eliminate duplicates Z: 37 41.495 2.365 0.593 0.708 0.944 0.556 CB 1.609 37 residues pruned to eliminate duplicates Z: 13 17.716 2.204 0.327 0.860 0.917 0.833 CB 1.402 13 residues pruned to eliminate duplicates Z: 13 15.330 1.847 0.375 0.874 1.000 0.917 CB 1.269 13 residues pruned to eliminate duplicates Z: 28 12.688 1.892 0.441 0.385 0.852 0.407 CB 1.188 28 residues pruned to eliminate duplicates Z: 62 55.628 2.425 0.719 0.611 0.918 0.623 CB 1.675 62 residues pruned to eliminate duplicates Z: 62 43.792 2.285 0.843 0.521 0.869 0.475 CB 1.501 61 residues pruned to eliminate duplicates Z: 10 13.018 1.891 0.421 0.923 1.000 0.889 CB 1.135 10 residues pruned to eliminate duplicates Z: 15 16.134 1.912 0.505 0.788 1.000 0.714 CB 1.164 15 residues pruned to eliminate duplicates Z: 12 19.324 2.151 0.195 0.911 1.000 0.818 CB 1.606 12 residues pruned to eliminate duplicates Z: 15 33.820 2.290 0.918 0.873 1.000 0.643 CB 1.499 15 residues pruned to eliminate duplicates Z: 10 10.979 1.905 0.240 0.904 1.000 0.778 CB 1.103 10 residues pruned to eliminate duplicates Z: 19 39.792 2.303 0.686 0.939 1.000 0.944 CB 1.678 19 residues pruned to eliminate duplicates Z: 12 18.911 1.913 0.564 0.913 1.000 0.636 CB 1.349 12 residues pruned to eliminate duplicates Z: 17 19.408 2.157 0.366 0.857 0.938 0.688 CB 1.294 17 residues pruned to eliminate duplicates Z: 9 10.274 1.989 0.444 0.410 0.875 0.375 CB 1.588 5 residues pruned to eliminate duplicates Z: 16 10.325 1.786 0.643 0.458 0.800 0.400 CB 1.186 16 residues pruned to eliminate duplicates Z: 29 13.978 1.921 0.157 0.489 0.857 0.571 CB 1.402 17 residues pruned to eliminate duplicates Z: 6 9.854 1.779 0.585 0.671 1.000 1.000 CB 1.335 6 residues pruned to eliminate duplicates Z: 12 20.849 1.924 0.614 0.927 1.000 0.545 CB 1.418 12 residues pruned to eliminate duplicates Z: 10 10.576 1.786 0.361 0.688 0.889 0.667 CB 1.374 10 residues pruned to eliminate duplicates Z: 14 17.241 2.093 0.924 0.823 0.692 0.385 CB 1.296 14 residues pruned to eliminate duplicates Z: 13 20.439 1.903 0.603 0.905 1.000 0.750 CB 1.376 13 residues pruned to eliminate duplicates Z: 16 25.613 2.185 0.511 0.932 1.000 0.733 CB 1.399 16 residues pruned to eliminate duplicates Z: 14 14.655 1.989 0.132 0.824 1.000 0.923 CB 1.363 14 residues pruned to eliminate duplicates Z: 11 13.717 2.103 0.427 0.529 1.000 0.500 CB 1.404 9 residues pruned to eliminate duplicates Z: 29 26.060 2.339 0.479 0.530 0.857 0.714 CB 1.612 29 residues pruned to eliminate duplicates Z: 20 31.187 2.171 0.590 0.893 0.947 0.737 CA 1.570 20 residues pruned to eliminate duplicates Z: 14 12.504 1.669 0.408 0.863 1.000 0.615 CB 1.083 13 residues pruned to eliminate duplicates Z: 42 45.547 2.436 0.656 0.632 0.976 0.537 CB 1.597 42 residues pruned to eliminate duplicates Z: 13 11.703 1.748 0.199 0.890 1.000 0.667 CB 1.160 13 residues pruned to eliminate duplicates Z: 16 18.250 2.047 0.437 0.819 0.867 0.733 CA 1.402 16 residues pruned to eliminate duplicates Z: 20 31.188 2.170 0.456 0.946 1.000 0.895 CB 1.566 20 residues pruned to eliminate duplicates Z: 16 17.270 2.138 0.168 0.838 0.933 0.867 CA 1.430 16 residues pruned to eliminate duplicates Z: 13 11.380 1.906 0.330 0.816 0.833 0.750 CB 1.182 13 residues pruned to eliminate duplicates Z: 15 24.114 2.215 0.392 0.816 1.000 0.714 CA 1.589 15 residues pruned to eliminate duplicates Z: 14 8.737 2.017 -0.272 0.940 1.000 1.000 CB 1.145 14 residues pruned to eliminate duplicates Z: 28 16.883 2.028 0.554 0.453 0.889 0.296 CB 1.217 27 residues pruned to eliminate duplicates Z: 65 38.180 2.307 0.601 0.489 0.875 0.547 CB 1.493 65 residues pruned to eliminate duplicates Z: 18 37.112 2.122 0.756 0.908 1.000 0.412 CA 1.716 18 residues pruned to eliminate duplicates Z: 10 8.553 1.790 0.255 0.687 0.778 0.444 CA 1.376 10 residues pruned to eliminate duplicates Z: 31 32.049 2.178 0.764 0.717 0.933 0.733 CB 1.341 31 residues pruned to eliminate duplicates Z: 7 3.262 1.919 -0.172 0.601 1.000 0.667 CB 0.761 7 residues pruned to eliminate duplicates Z: 16 24.155 2.142 0.377 0.861 1.000 0.733 CA 1.554 16 residues pruned to eliminate duplicates Z: 16 15.335 2.007 0.470 0.900 0.933 0.667 CB 1.026 16 residues pruned to eliminate duplicates Z: 9 6.842 1.799 0.321 0.796 0.625 0.375 CB 1.256 11 residues pruned to eliminate duplicates Z: 13 14.474 1.899 0.607 0.854 0.917 0.833 CB 1.104 13 residues pruned to eliminate duplicates Z: 13 15.770 2.036 0.340 0.864 1.000 0.833 CA 1.223 13 residues pruned to eliminate duplicates Z: 21 31.615 2.125 0.414 0.946 1.000 0.900 CA 1.627 21 residues pruned to eliminate duplicates Z: 15 30.493 2.369 0.498 0.835 1.000 0.643 CA 1.720 15 residues pruned to eliminate duplicates Z: 60 50.267 2.310 0.791 0.552 0.915 0.542 CB 1.643 60 residues pruned to eliminate duplicates Z: 15 13.077 1.939 0.184 0.796 0.929 0.786 CB 1.264 15 residues pruned to eliminate duplicates Z: 71 43.286 2.241 0.727 0.478 0.886 0.400 CB 1.544 73 residues pruned to eliminate duplicates Z: 21 29.215 2.072 0.387 0.936 1.000 0.950 CA 1.583 21 residues pruned to eliminate duplicates Z: 14 27.105 2.325 0.497 0.869 1.000 0.769 CA 1.578 14 residues pruned to eliminate duplicates Z: 14 16.948 1.994 0.317 0.839 1.000 0.846 CB 1.336 14 residues pruned to eliminate duplicates Z: 12 10.687 1.741 0.249 0.844 0.909 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 21 38.913 2.255 0.580 0.916 1.000 0.900 CB 1.724 21 residues pruned to eliminate duplicates Z: 9 8.975 1.812 0.066 0.919 1.000 1.000 CB 1.157 9 residues pruned to eliminate duplicates Z: 15 19.554 2.110 0.396 0.923 1.000 0.857 CB 1.247 15 residues pruned to eliminate duplicates Z: 11 13.770 2.070 0.397 0.694 0.900 0.800 CA 1.401 11 residues pruned to eliminate duplicates Z: 37 24.956 2.034 0.541 0.689 0.917 0.722 CB 1.218 32 residues pruned to eliminate duplicates Z: 7 10.270 2.033 0.240 0.767 0.833 0.667 CB 1.574 7 residues pruned to eliminate duplicates Z: 12 18.549 2.008 0.499 0.881 1.000 0.909 CB 1.346 12 residues pruned to eliminate duplicates Z: 12 9.770 1.704 0.024 0.889 1.000 0.636 CB 1.216 12 residues pruned to eliminate duplicates Z: 12 14.377 1.980 0.427 0.830 1.000 0.818 CB 1.153 12 residues pruned to eliminate duplicates Z: 13 22.428 2.250 0.508 0.887 1.000 0.833 CB 1.376 14 residues pruned to eliminate duplicates Z: 12 8.159 1.738 -0.061 0.900 0.909 0.727 CB 1.184 12 residues pruned to eliminate duplicates Z: 95 49.588 2.304 0.461 0.539 0.926 0.617 CB 1.580 95 residues pruned to eliminate duplicates Z: 14 23.145 2.315 0.281 0.866 1.000 0.846 CA 1.585 14 residues pruned to eliminate duplicates Z: 13 21.019 2.113 0.485 0.917 1.000 0.583 CB 1.364 13 residues pruned to eliminate duplicates Z: 28 21.312 2.144 0.707 0.442 0.926 0.333 CB 1.285 28 residues pruned to eliminate duplicates Z: 13 9.501 1.549 0.395 0.806 0.917 0.583 CB 1.061 13 residues pruned to eliminate duplicates Z: 10 19.202 2.084 0.750 0.824 1.000 0.556 CB 1.326 10 residues pruned to eliminate duplicates Z: 85 51.090 2.266 0.574 0.594 0.929 0.512 CB 1.538 85 residues pruned to eliminate duplicates Z: 7 7.917 1.786 0.372 0.720 0.833 0.333 CB 1.298 7 residues pruned to eliminate duplicates Z: 10 14.363 1.868 0.329 0.917 1.000 1.000 CA 1.361 10 residues pruned to eliminate duplicates Z: 15 22.837 2.154 0.591 0.905 1.000 0.714 CB 1.268 15 residues pruned to eliminate duplicates Z: 13 21.601 2.223 0.625 0.861 0.917 0.750 CB 1.383 13 residues pruned to eliminate duplicates Z: 50 45.185 2.317 0.715 0.677 0.898 0.510 CB 1.538 50 residues pruned to eliminate duplicates Z: 15 30.854 2.264 0.640 0.843 1.000 0.643 CA 1.654 15 residues pruned to eliminate duplicates Z: 13 20.172 1.866 0.557 0.926 1.000 0.667 CB 1.405 13 residues pruned to eliminate duplicates Z: 69 47.404 2.362 0.614 0.545 0.912 0.603 CB 1.583 69 residues pruned to eliminate duplicates Z: 21 35.329 2.247 0.538 0.923 1.000 0.950 CB 1.606 21 residues pruned to eliminate duplicates Z: 14 38.321 2.388 1.087 0.894 1.000 0.692 CB 1.529 14 residues pruned to eliminate duplicates Z: 61 47.126 2.319 0.706 0.515 0.950 0.517 CB 1.595 61 residues pruned to eliminate duplicates Z: 65 53.412 2.385 0.677 0.587 0.938 0.625 CB 1.638 65 residues pruned to eliminate duplicates Z: 21 33.166 2.131 0.552 0.912 1.000 0.700 CB 1.589 21 residues pruned to eliminate duplicates Z: 7 7.205 1.611 0.039 0.839 1.000 0.667 CA 1.312 7 residues pruned to eliminate duplicates Z: 11 11.958 1.903 0.962 0.548 0.900 0.600 CB 1.074 11 residues pruned to eliminate duplicates Z: 12 20.036 2.003 0.606 0.917 1.000 0.909 CB 1.326 12 residues pruned to eliminate duplicates Z: 11 15.699 2.008 0.538 0.756 0.900 0.800 CA 1.422 11 residues pruned to eliminate duplicates Z: 7 12.274 2.104 0.078 0.887 1.000 1.000 CB 1.592 7 residues pruned to eliminate duplicates Z: 10 17.748 2.121 0.513 0.845 1.000 0.667 CB 1.371 10 residues pruned to eliminate duplicates Z: 11 7.627 1.844 0.641 0.402 0.700 0.700 CB 1.262 11 residues pruned to eliminate duplicates Z: 15 33.559 2.262 1.078 0.901 1.000 0.786 CB 1.362 15 residues pruned to eliminate duplicates Z: 15 34.412 2.280 0.887 0.910 1.000 0.714 CB 1.516 15 residues pruned to eliminate duplicates Z: 7 3.301 1.474 0.269 0.699 0.833 0.833 CB 0.721 7 residues pruned to eliminate duplicates Z: 16 36.376 2.147 1.035 0.868 1.000 0.733 CA 1.571 16 residues pruned to eliminate duplicates Z: 8 11.343 1.835 0.460 0.824 0.857 0.714 CB 1.411 8 residues pruned to eliminate duplicates Z: 17 14.712 2.084 0.279 0.873 0.750 0.250 CB 1.341 17 residues pruned to eliminate duplicates Z: 7 10.419 2.011 0.135 0.818 1.000 1.000 CB 1.414 7 residues pruned to eliminate duplicates Z: 37 32.442 2.177 0.538 0.686 0.944 0.694 CB 1.441 37 residues pruned to eliminate duplicates Z: 12 18.832 1.885 0.516 0.893 1.000 0.636 CA 1.427 12 residues pruned to eliminate duplicates Z: 36 36.210 2.197 0.660 0.682 0.971 0.714 CB 1.461 36 residues pruned to eliminate duplicates Z: 86 42.191 2.221 0.498 0.496 0.918 0.565 CB 1.504 86 residues pruned to eliminate duplicates Z: 120 51.077 2.253 0.545 0.523 0.908 0.504 CB 1.449 120 residues pruned to eliminate duplicates Z: 10 19.069 2.291 0.758 0.741 0.889 0.778 CA 1.431 10 residues pruned to eliminate duplicates Z: 7 5.854 2.000 0.346 0.527 1.000 0.500 CB 0.865 7 residues pruned to eliminate duplicates Z: 13 13.053 1.700 0.374 0.912 1.000 1.000 CB 1.142 14 residues pruned to eliminate duplicates Z: 15 19.257 2.208 0.436 0.773 0.929 0.643 CA 1.373 15 residues pruned to eliminate duplicates Z: 14 16.965 2.024 0.335 0.853 0.923 0.846 CB 1.394 14 residues pruned to eliminate duplicates Z: 11 7.714 1.792 -0.066 0.897 0.900 0.800 CB 1.159 11 residues pruned to eliminate duplicates Z: 14 12.623 2.032 -0.048 0.844 1.000 0.846 CB 1.345 14 residues pruned to eliminate duplicates Z: 6 3.072 1.692 -0.243 0.634 1.000 0.800 CB 0.946 Z: 9 8.506 1.817 0.200 0.806 0.875 0.375 CB 1.208 9 residues pruned to eliminate duplicates Z: 23 27.593 2.106 0.476 0.815 0.955 0.909 CA 1.508 21 residues pruned to eliminate duplicates Z: 14 34.587 2.427 0.614 0.907 1.000 0.923 CA 1.740 14 residues pruned to eliminate duplicates Z: 10 13.174 1.944 0.384 0.837 1.000 0.556 CB 1.221 10 residues pruned to eliminate duplicates Z: 7 5.400 1.788 0.252 0.622 0.833 0.667 CA 1.053 7 residues pruned to eliminate duplicates Z: 15 11.294 2.108 0.267 0.459 0.714 0.500 CB 1.649 15 residues pruned to eliminate duplicates Z: 7 20.084 2.079 0.726 0.877 1.000 0.667 CA 1.659 7 residues pruned to eliminate duplicates Z: 8 9.749 1.873 0.180 0.755 1.000 0.857 CA 1.329 8 residues pruned to eliminate duplicates Z: 33 27.534 2.101 0.577 0.654 0.875 0.531 CB 1.455 32 residues pruned to eliminate duplicates Z: 7 10.519 1.898 0.466 0.836 0.833 0.667 CB 1.386 7 residues pruned to eliminate duplicates Z: 38 27.742 2.122 0.573 0.612 0.919 0.622 CB 1.337 38 residues pruned to eliminate duplicates Z: 16 10.671 1.990 0.373 0.473 0.800 0.400 CB 1.296 16 residues pruned to eliminate duplicates Z: 11 18.419 2.142 0.801 0.506 1.000 0.800 CB 1.500 11 residues pruned to eliminate duplicates Z: 43 21.477 2.201 0.431 0.444 0.810 0.476 CB 1.377 43 residues pruned to eliminate duplicates Z: 55 40.905 2.298 0.644 0.522 0.907 0.556 CB 1.589 55 residues pruned to eliminate duplicates Z: 123 50.278 2.251 0.433 0.519 0.910 0.500 CB 1.523 123 residues pruned to eliminate duplicates Z: 13 10.469 1.681 0.123 0.931 1.000 1.000 CB 1.118 13 residues pruned to eliminate duplicates Z: 10 12.097 1.794 0.315 0.833 0.889 0.667 N 1.443 8 residues pruned to eliminate duplicates Z: 12 15.269 2.069 0.548 0.526 1.000 0.455 CB 1.402 11 residues pruned to eliminate duplicates Z: 12 15.220 1.927 0.233 0.911 1.000 0.636 CB 1.369 12 residues pruned to eliminate duplicates Z: 120 56.941 2.252 0.623 0.560 0.899 0.555 CB 1.498 120 residues pruned to eliminate duplicates Z: 13 14.341 1.873 0.510 0.873 0.917 0.917 CB 1.163 13 residues pruned to eliminate duplicates Z: 10 6.580 1.823 -0.244 0.872 0.889 0.778 CB 1.305 10 residues pruned to eliminate duplicates Z: 18 44.096 2.418 0.926 0.937 0.941 0.412 CB 1.697 18 residues pruned to eliminate duplicates Z: 30 38.822 2.304 0.723 0.744 0.897 0.379 CB 1.628 30 residues pruned to eliminate duplicates Z: 8 6.908 1.455 0.263 0.789 1.000 0.571 CB 1.102 8 residues pruned to eliminate duplicates Z: 8 4.686 1.329 0.399 0.809 0.857 0.571 CA 0.849 8 residues pruned to eliminate duplicates Z: 19 18.788 2.179 0.487 0.472 1.000 0.556 CB 1.406 20 residues pruned to eliminate duplicates Z: 15 19.746 2.103 0.394 0.916 1.000 0.786 CB 1.271 15 residues pruned to eliminate duplicates Z: 12 13.301 1.725 0.294 0.864 1.000 0.909 CB 1.317 12 residues pruned to eliminate duplicates Z: 10 9.535 1.748 0.372 0.894 0.889 0.556 CB 1.070 10 residues pruned to eliminate duplicates Z: 13 15.586 1.848 0.295 0.909 1.000 0.583 CB 1.333 12 residues pruned to eliminate duplicates Z: 16 17.523 2.090 0.409 0.755 0.867 0.467 CA 1.412 16 residues pruned to eliminate duplicates Z: 13 23.796 2.218 0.561 0.867 1.000 0.833 CB 1.451 14 residues pruned to eliminate duplicates Z: 39 17.325 2.040 0.405 0.362 0.868 0.474 CB 1.310 39 residues pruned to eliminate duplicates Z: 6 10.597 1.964 0.116 0.868 1.000 1.000 CB 1.580 5 residues pruned to eliminate duplicates Z: 9 11.142 1.804 0.553 0.917 1.000 0.750 CB 0.993 9 residues pruned to eliminate duplicates 6 1.389 1.594 0.704 0.615 0.800 0.400 CB 0.256 ? Z: 8 8.619 1.872 0.353 0.757 0.714 0.571 CA 1.433 8 residues pruned to eliminate duplicates Z: 37 30.462 2.168 0.544 0.683 0.889 0.806 CB 1.442 37 residues pruned to eliminate duplicates Z: 15 22.412 2.038 0.748 0.931 1.000 0.571 CB 1.175 15 residues pruned to eliminate duplicates Z: 10 3.819 1.399 0.676 0.393 0.667 0.444 CB 0.912 Z: 14 8.452 2.033 0.433 0.355 0.846 0.615 CB 1.113 14 residues pruned to eliminate duplicates Z: 13 9.805 1.794 0.575 0.564 0.833 0.667 CA 1.130 8 residues pruned to eliminate duplicates Z: 118 58.035 2.269 0.621 0.548 0.923 0.530 CB 1.508 118 residues pruned to eliminate duplicates Z: 29 19.700 2.242 0.372 0.398 0.964 0.464 CB 1.398 29 residues pruned to eliminate duplicates Z: 9 10.950 2.044 0.339 0.622 1.000 0.750 CB 1.260 9 residues pruned to eliminate duplicates Z: 10 7.119 1.744 0.301 0.397 0.889 0.444 CB 1.311 8 residues pruned to eliminate duplicates Z: 18 40.914 2.337 0.846 0.947 0.941 0.176 CB 1.690 18 residues pruned to eliminate duplicates Z: 15 17.427 1.974 0.363 0.806 1.000 0.786 CB 1.325 15 residues pruned to eliminate duplicates Z: 9 6.210 1.945 0.022 0.614 0.875 0.625 CA 1.133 9 residues pruned to eliminate duplicates Z: 14 18.068 2.027 0.269 0.866 1.000 0.769 CB 1.426 14 residues pruned to eliminate duplicates Z: 22 29.844 2.060 0.367 0.935 1.000 0.762 CA 1.611 22 residues pruned to eliminate duplicates Z: 42 39.855 2.417 0.496 0.531 0.927 0.610 CB 1.801 42 residues pruned to eliminate duplicates Z: 79 46.572 2.340 0.487 0.546 0.936 0.551 CB 1.547 79 residues pruned to eliminate duplicates Z: 11 17.273 1.907 0.392 0.886 1.000 0.800 CB 1.485 11 residues pruned to eliminate duplicates Z: 6 10.277 2.039 0.276 0.811 0.800 0.800 CB 1.684 6 residues pruned to eliminate duplicates Z: 51 38.465 2.174 0.540 0.629 0.900 0.660 CA 1.599 51 residues pruned to eliminate duplicates Z: 15 17.928 2.034 0.495 0.687 1.000 0.714 CB 1.328 15 residues pruned to eliminate duplicates Z: 15 23.457 2.262 0.262 0.890 1.000 0.857 CB 1.579 15 residues pruned to eliminate duplicates Z: 15 19.993 2.112 0.210 0.858 1.000 0.786 CB 1.540 16 residues pruned to eliminate duplicates Z: 9 13.168 2.150 0.412 0.815 0.750 0.750 CA 1.556 9 residues pruned to eliminate duplicates Z: 13 17.448 2.207 0.371 0.837 0.917 0.750 CB 1.358 13 residues pruned to eliminate duplicates Z: 13 18.740 1.871 0.544 0.857 1.000 0.833 CB 1.379 13 residues pruned to eliminate duplicates Z: 18 13.257 2.049 0.194 0.324 1.000 0.765 CB 1.594 18 residues pruned to eliminate duplicates Z: 7 9.137 1.690 0.259 0.852 1.000 0.667 CA 1.296 7 residues pruned to eliminate duplicates Z: 11 16.125 1.945 0.723 0.747 0.900 0.700 CA 1.356 15 residues pruned to eliminate duplicates 6 1.576 1.763 -0.095 0.610 0.800 0.200 CB 0.497 ? Z: 15 12.293 2.108 0.319 0.475 0.857 0.643 CB 1.414 15 residues pruned to eliminate duplicates Z: 34 41.931 2.378 0.686 0.687 0.970 0.667 CB 1.582 34 residues pruned to eliminate duplicates Z: 9 12.423 2.270 0.332 0.440 1.000 0.500 CB 1.547 9 residues pruned to eliminate duplicates Z: 60 35.240 2.275 0.412 0.526 0.881 0.475 CB 1.579 60 residues pruned to eliminate duplicates Z: 22 24.127 2.250 0.820 0.589 0.952 0.571 CB 1.239 22 residues pruned to eliminate duplicates Z: 41 38.947 2.277 0.706 0.523 0.950 0.550 CB 1.631 41 residues pruned to eliminate duplicates Z: 17 18.153 2.211 0.630 0.433 0.812 0.500 CB 1.662 17 residues pruned to eliminate duplicates Z: 17 21.629 2.130 0.396 0.900 1.000 0.875 CB 1.299 17 residues pruned to eliminate duplicates Z: 30 30.652 2.080 0.637 0.732 1.000 0.828 CB 1.357 29 residues pruned to eliminate duplicates Z: 10 8.043 1.991 0.094 0.419 0.889 0.444 CA 1.506 10 residues pruned to eliminate duplicates Z: 12 14.411 1.859 0.204 0.901 1.000 0.909 CA 1.385 12 residues pruned to eliminate duplicates Z: 12 14.828 2.155 0.281 0.889 0.909 0.545 CB 1.283 12 residues pruned to eliminate duplicates Z: 16 17.724 2.089 0.418 0.539 0.933 0.733 CA 1.593 16 residues pruned to eliminate duplicates Z: 11 15.273 2.084 0.478 0.843 0.900 0.700 CB 1.297 11 residues pruned to eliminate duplicates Z: 9 10.579 1.952 0.226 0.895 1.000 1.000 CB 1.120 9 residues pruned to eliminate duplicates Z: 26 19.408 1.928 0.405 0.671 1.000 0.640 CB 1.224 26 residues pruned to eliminate duplicates Z: 22 31.541 2.099 0.415 0.930 1.000 0.714 CA 1.621 24 residues pruned to eliminate duplicates Z: 14 46.852 2.432 1.204 0.868 1.000 0.615 CB 1.772 14 residues pruned to eliminate duplicates Z: 6 2.535 1.424 0.345 0.376 0.600 0.600 CB 1.127 Z: 20 25.062 2.038 0.560 0.753 1.000 0.632 CB 1.442 16 residues pruned to eliminate duplicates Z: 15 17.273 2.071 0.294 0.928 1.000 0.714 CB 1.206 15 residues pruned to eliminate duplicates Z: 6 3.819 1.589 0.437 0.638 0.600 0.400 O 1.096 6 residues pruned to eliminate duplicates Z: 7 5.858 1.775 0.449 0.648 0.667 0.333 C 1.215 7 residues pruned to eliminate duplicates Z: 23 15.496 2.072 0.390 0.408 0.818 0.545 CB 1.543 23 residues pruned to eliminate duplicates Z: 15 23.819 2.249 0.235 0.870 1.000 0.857 CB 1.673 15 residues pruned to eliminate duplicates Z: 6 5.337 1.696 0.469 0.389 1.000 0.800 CB 1.077 6 residues pruned to eliminate duplicates Z: 31 42.038 2.351 0.703 0.626 1.000 0.667 CB 1.702 31 residues pruned to eliminate duplicates Z: 18 23.549 2.159 0.692 0.726 0.824 0.824 CB 1.549 18 residues pruned to eliminate duplicates Z: 20 24.400 2.048 0.624 0.880 0.842 0.421 CB 1.448 20 residues pruned to eliminate duplicates Z: 11 14.856 1.857 0.530 0.874 1.000 0.900 CB 1.203 11 residues pruned to eliminate duplicates Z: 7 4.321 1.994 -0.123 0.405 1.000 0.667 CB 1.114 7 residues pruned to eliminate duplicates Z: 19 10.786 2.030 0.181 0.226 0.889 0.556 CB 1.645 19 residues pruned to eliminate duplicates Z: 14 25.070 2.363 0.336 0.828 1.000 0.615 CA 1.658 14 residues pruned to eliminate duplicates Z: 37 22.537 2.012 0.324 0.670 0.917 0.694 CB 1.315 37 residues pruned to eliminate duplicates Z: 13 19.765 2.200 0.464 0.879 0.917 0.750 CB 1.402 13 residues pruned to eliminate duplicates Z: 20 17.618 1.995 0.370 0.690 0.947 0.474 CB 1.312 20 residues pruned to eliminate duplicates Z: 9 11.589 1.662 0.755 0.482 1.000 0.750 CB 1.431 9 residues pruned to eliminate duplicates Z: 6 6.620 1.823 0.240 0.745 0.800 0.800 CB 1.315 6 residues pruned to eliminate duplicates Z: 84 40.491 2.228 0.332 0.538 0.916 0.518 CB 1.576 84 residues pruned to eliminate duplicates Z: 21 30.661 2.122 0.506 0.900 0.950 0.900 CB 1.613 21 residues pruned to eliminate duplicates Z: 14 9.429 2.059 0.577 0.431 0.769 0.385 CB 1.125 14 residues pruned to eliminate duplicates Z: 52 38.753 2.263 0.610 0.546 0.941 0.529 CB 1.514 52 residues pruned to eliminate duplicates Z: 21 28.624 2.271 0.510 0.629 1.000 0.650 CA 1.653 21 residues pruned to eliminate duplicates Z: 15 10.064 1.959 0.392 0.451 0.714 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 13 15.290 1.901 0.606 0.601 0.917 0.417 CB 1.432 13 residues pruned to eliminate duplicates Z: 14 12.758 1.924 0.555 0.622 0.769 0.769 CA 1.370 14 residues pruned to eliminate duplicates Z: 18 19.072 2.237 0.652 0.543 0.882 0.529 CB 1.360 18 residues pruned to eliminate duplicates Z: 19 13.419 1.864 0.437 0.377 0.889 0.389 CB 1.515 19 residues pruned to eliminate duplicates Z: 37 17.899 1.960 0.213 0.495 0.861 0.583 CB 1.464 37 residues pruned to eliminate duplicates Z: 13 35.615 2.356 1.032 0.928 1.000 0.833 CB 1.504 13 residues pruned to eliminate duplicates Z: 10 6.798 1.990 0.187 0.364 0.778 0.444 CB 1.428 10 residues pruned to eliminate duplicates Z: 11 14.267 2.129 0.602 0.418 0.900 0.600 CB 1.601 11 residues pruned to eliminate duplicates Z: 8 3.181 1.072 0.040 0.731 1.000 0.714 CA 0.877 Z: 9 13.068 1.827 0.678 0.926 1.000 0.750 CB 1.057 9 residues pruned to eliminate duplicates Z: 27 14.880 2.069 0.446 0.422 0.885 0.692 CB 1.195 27 residues pruned to eliminate duplicates Z: 7 8.606 1.903 0.123 0.764 1.000 0.500 CB 1.301 7 residues pruned to eliminate duplicates Z: 17 31.226 2.181 0.593 0.904 1.000 0.812 CB 1.600 17 residues pruned to eliminate duplicates Z: 21 34.817 2.061 0.681 0.936 1.000 0.700 CB 1.564 21 residues pruned to eliminate duplicates Z: 17 15.951 2.074 0.580 0.468 1.000 0.562 CB 1.257 17 residues pruned to eliminate duplicates Z: 15 14.155 1.917 0.763 0.376 0.929 0.500 CA 1.376 15 residues pruned to eliminate duplicates Z: 12 19.162 1.953 0.519 0.917 1.000 1.000 CB 1.375 12 residues pruned to eliminate duplicates Z: 8 4.067 1.648 0.424 0.225 0.714 0.286 CB 1.264 8 residues pruned to eliminate duplicates Z: 8 5.412 1.495 0.320 0.794 0.714 0.571 CB 1.122 8 residues pruned to eliminate duplicates Z: 14 8.570 2.044 -0.380 0.942 1.000 1.000 CB 1.301 14 residues pruned to eliminate duplicates Z: 19 42.578 2.363 0.927 0.931 0.944 0.500 CB 1.631 19 residues pruned to eliminate duplicates Z: 6 8.930 1.562 0.645 0.824 1.000 0.800 CA 1.174 6 residues pruned to eliminate duplicates Z: 12 9.104 1.839 0.159 0.833 0.909 0.909 CB 1.063 12 residues pruned to eliminate duplicates Z: 20 18.555 2.154 0.366 0.630 0.895 0.579 CB 1.432 20 residues pruned to eliminate duplicates Z: 7 8.963 1.730 0.471 0.576 1.000 0.667 CA 1.337 7 residues pruned to eliminate duplicates Z: 42 24.721 2.170 0.423 0.464 0.902 0.512 CB 1.437 42 residues pruned to eliminate duplicates Z: 9 10.531 1.983 0.641 0.843 0.750 0.625 CB 1.136 9 residues pruned to eliminate duplicates Z: 17 10.568 2.018 0.156 0.451 0.875 0.625 CB 1.361 17 residues pruned to eliminate duplicates Z: 62 51.539 2.360 0.780 0.551 0.918 0.623 CB 1.629 62 residues pruned to eliminate duplicates Z: 30 19.435 1.958 0.444 0.720 0.931 0.828 CB 1.123 30 residues pruned to eliminate duplicates Z: 10 14.410 2.019 0.921 0.429 0.778 0.444 CA 1.714 10 residues pruned to eliminate duplicates Z: 12 15.991 2.373 0.474 0.523 1.000 0.636 CB 1.347 12 residues pruned to eliminate duplicates Z: 69 33.837 2.198 0.414 0.472 0.941 0.632 CB 1.443 69 residues pruned to eliminate duplicates Z: 12 13.661 1.878 0.680 0.471 1.000 0.636 CB 1.345 12 residues pruned to eliminate duplicates Z: 6 4.761 1.504 0.310 0.519 1.000 0.800 CA 1.060 6 residues pruned to eliminate duplicates Z: 21 21.786 2.276 0.380 0.494 0.950 0.650 CB 1.643 21 residues pruned to eliminate duplicates Z: 40 41.821 2.322 0.641 0.585 0.949 0.641 CB 1.708 40 residues pruned to eliminate duplicates Z: 6 6.166 1.660 0.794 0.668 0.800 0.800 CA 0.991 6 residues pruned to eliminate duplicates Z: 87 43.883 2.299 0.523 0.540 0.860 0.535 CB 1.509 87 residues pruned to eliminate duplicates Z: 34 36.947 2.157 0.844 0.692 0.970 0.576 CB 1.399 34 residues pruned to eliminate duplicates Z: 6 5.036 1.729 0.048 0.478 0.800 0.400 O 1.590 6 residues pruned to eliminate duplicates Z: 6 7.186 1.717 0.405 0.732 1.000 0.600 CB 1.082 6 residues pruned to eliminate duplicates Z: 33 16.962 2.007 0.403 0.378 0.906 0.656 CB 1.339 33 residues pruned to eliminate duplicates Z: 53 30.227 2.177 0.365 0.466 0.923 0.635 CB 1.581 53 residues pruned to eliminate duplicates Z: 13 28.920 2.235 0.790 0.911 1.000 0.167 CB 1.479 13 residues pruned to eliminate duplicates Z: 15 18.663 2.051 0.603 0.918 1.000 0.500 CB 1.070 15 residues pruned to eliminate duplicates Z: 21 36.532 2.146 0.709 0.944 0.950 0.800 CA 1.624 25 residues pruned to eliminate duplicates Z: 12 8.084 2.065 0.327 0.244 0.909 0.545 CB 1.315 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 9.443 1.995 0.632 0.306 0.857 0.714 CB 1.586 8 residues pruned to eliminate duplicates Z: 23 18.039 1.984 0.333 0.571 0.909 0.682 CB 1.493 21 residues pruned to eliminate duplicates Z: 13 22.309 2.230 0.505 0.879 1.000 0.833 CB 1.392 13 residues pruned to eliminate duplicates Z: 37 34.803 2.194 0.723 0.661 0.944 0.472 CB 1.399 36 residues pruned to eliminate duplicates Z: 13 23.140 2.221 0.608 0.874 1.000 0.583 CB 1.361 13 residues pruned to eliminate duplicates Z: 38 32.139 2.175 0.637 0.660 0.919 0.649 CB 1.393 39 residues pruned to eliminate duplicates Z: 14 21.323 2.135 0.584 0.848 0.923 0.615 CB 1.406 14 residues pruned to eliminate duplicates Z: 37 34.366 2.195 0.685 0.683 0.917 0.639 CB 1.428 37 residues pruned to eliminate duplicates Z: 14 27.096 2.118 0.814 0.874 1.000 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 14 21.536 2.145 0.613 0.858 0.923 0.692 CB 1.377 14 residues pruned to eliminate duplicates Z: 39 32.800 2.135 0.639 0.654 0.974 0.605 CB 1.353 39 residues pruned to eliminate duplicates Z: 37 31.796 2.180 0.599 0.673 0.917 0.639 CB 1.415 37 residues pruned to eliminate duplicates Z: 37 30.699 2.196 0.496 0.690 0.944 0.639 CB 1.386 37 residues pruned to eliminate duplicates Z: 23 28.419 2.152 0.591 0.834 1.000 0.864 CB 1.326 23 residues pruned to eliminate duplicates Z: 38 34.159 2.192 0.651 0.658 0.946 0.676 CB 1.416 38 residues pruned to eliminate duplicates Z: 37 35.822 2.199 0.658 0.675 0.972 0.667 CB 1.433 37 residues pruned to eliminate duplicates Z: 38 34.033 2.180 0.559 0.660 1.000 0.595 CB 1.419 38 residues pruned to eliminate duplicates Z: 37 31.719 2.209 0.511 0.686 0.917 0.694 CB 1.457 37 residues pruned to eliminate duplicates Z: 39 32.197 2.150 0.658 0.645 0.921 0.579 CB 1.389 39 residues pruned to eliminate duplicates Z: 36 33.820 2.218 0.561 0.694 0.971 0.743 CB 1.423 36 residues pruned to eliminate duplicates Z: 36 32.172 2.196 0.636 0.689 0.943 0.629 CB 1.351 36 residues pruned to eliminate duplicates Z: 40 34.512 2.140 0.670 0.650 0.974 0.692 CB 1.380 38 residues pruned to eliminate duplicates Z: 13 15.820 1.872 0.475 0.842 1.000 0.750 CB 1.233 13 residues pruned to eliminate duplicates Z: 38 31.809 2.174 0.524 0.676 0.946 0.703 CB 1.418 38 residues pruned to eliminate duplicates Z: 38 32.037 2.159 0.675 0.646 0.919 0.622 CB 1.384 38 residues pruned to eliminate duplicates Z: 37 33.936 2.191 0.613 0.681 0.944 0.694 CB 1.435 37 residues pruned to eliminate duplicates Z: 39 31.041 2.152 0.560 0.651 0.921 0.553 CB 1.414 39 residues pruned to eliminate duplicates Z: 37 33.523 2.199 0.606 0.679 0.917 0.667 CB 1.464 37 residues pruned to eliminate duplicates Z: 38 32.603 2.160 0.607 0.660 0.973 0.703 CB 1.368 38 residues pruned to eliminate duplicates Z: 39 31.454 2.136 0.584 0.657 0.947 0.684 CB 1.376 39 residues pruned to eliminate duplicates Z: 38 30.834 2.168 0.524 0.644 0.973 0.649 CB 1.379 38 residues pruned to eliminate duplicates Z: 37 34.036 2.197 0.608 0.658 0.972 0.611 CB 1.427 37 residues pruned to eliminate duplicates Z: 35 40.484 2.247 0.777 0.712 0.971 0.735 CB 1.478 35 residues pruned to eliminate duplicates Z: 38 32.120 2.175 0.559 0.667 0.946 0.757 CB 1.412 38 residues pruned to eliminate duplicates Z: 35 33.799 2.248 0.588 0.696 0.941 0.647 CB 1.442 35 residues pruned to eliminate duplicates Z: 36 35.522 2.198 0.704 0.671 0.943 0.657 CB 1.451 36 residues pruned to eliminate duplicates Z: 38 33.162 2.150 0.630 0.665 0.973 0.676 CB 1.373 38 residues pruned to eliminate duplicates Z: 8 13.143 2.188 0.114 0.846 1.000 0.857 CA 1.515 9 residues pruned to eliminate duplicates Z: 6 2.157 1.345 0.430 0.359 0.800 0.200 CA 0.729 6 residues pruned to eliminate duplicates Z: 65 43.130 2.299 0.421 0.555 0.969 0.625 CB 1.614 65 residues pruned to eliminate duplicates Z: 6 5.203 1.696 0.444 0.386 0.800 0.400 N 1.341 6 residues pruned to eliminate duplicates Z: 9 19.106 2.169 0.539 0.679 1.000 0.750 CB 1.716 9 residues pruned to eliminate duplicates Z: 12 8.131 1.730 0.225 0.730 0.818 0.364 CB 1.150 12 residues pruned to eliminate duplicates Z: 11 9.956 1.767 0.093 0.832 1.000 0.700 CB 1.223 11 residues pruned to eliminate duplicates Z: 12 10.353 1.800 0.109 0.848 1.000 0.545 CB 1.160 12 residues pruned to eliminate duplicates Z: 10 9.450 1.806 0.007 0.834 1.000 0.778 CB 1.298 10 residues pruned to eliminate duplicates Z: 12 9.586 1.684 0.027 0.820 1.000 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 13 7.478 1.795 0.027 0.677 0.917 0.667 CB 1.086 13 residues pruned to eliminate duplicates Z: 18 9.286 1.674 0.303 0.678 0.882 0.471 CB 0.994 17 residues pruned to eliminate duplicates Z: 10 16.360 2.023 0.159 0.911 1.000 0.778 CA 1.648 10 residues pruned to eliminate duplicates Z: 18 14.825 1.841 0.432 0.695 0.882 0.529 CB 1.294 13 residues pruned to eliminate duplicates Z: 12 16.123 1.916 0.346 0.915 0.909 0.545 CB 1.465 12 residues pruned to eliminate duplicates Z: 189 69.297 2.285 0.603 0.543 0.888 0.537 CB 1.490 192 residues pruned to eliminate duplicates Z: 12 11.477 1.842 0.408 0.858 0.727 0.455 CB 1.351 12 residues pruned to eliminate duplicates Z: 116 52.918 2.181 0.601 0.577 0.904 0.522 CB 1.451 116 residues pruned to eliminate duplicates Z: 15 14.349 1.882 0.456 0.764 0.857 0.429 CB 1.292 15 residues pruned to eliminate duplicates Z: 15 17.435 1.846 0.594 0.754 1.000 0.571 CB 1.263 15 residues pruned to eliminate duplicates Z: 37 18.156 1.993 0.229 0.466 0.861 0.667 CB 1.485 37 residues pruned to eliminate duplicates Z: 9 13.647 1.939 0.430 0.824 0.875 0.500 CA 1.502 9 residues pruned to eliminate duplicates Z: 25 16.362 2.117 0.191 0.397 0.875 0.583 CA 1.687 25 residues pruned to eliminate duplicates Z: 23 18.332 2.123 0.313 0.424 0.909 0.591 CB 1.669 24 residues pruned to eliminate duplicates Z: 9 15.980 1.964 0.627 0.816 0.875 0.500 CA 1.536 9 residues pruned to eliminate duplicates Z: 24 18.498 2.134 0.223 0.415 0.957 0.609 CA 1.690 24 residues pruned to eliminate duplicates Z: 26 16.483 2.063 0.241 0.376 0.920 0.520 CB 1.597 26 residues pruned to eliminate duplicates Z: 26 16.521 2.087 0.188 0.409 0.880 0.600 CB 1.666 26 residues pruned to eliminate duplicates Z: 25 16.043 2.140 0.213 0.386 0.833 0.542 CB 1.708 25 residues pruned to eliminate duplicates Z: 26 15.539 2.063 0.328 0.369 0.840 0.520 CB 1.555 26 residues pruned to eliminate duplicates Z: 24 14.782 2.034 0.196 0.386 0.913 0.478 CA 1.566 24 residues pruned to eliminate duplicates Z: 26 14.816 2.101 0.251 0.383 0.760 0.520 CA 1.681 26 residues pruned to eliminate duplicates Z: 27 15.616 2.021 0.233 0.356 0.885 0.462 CA 1.622 27 residues pruned to eliminate duplicates Z: 25 13.949 2.036 0.235 0.375 0.833 0.667 CB 1.553 25 residues pruned to eliminate duplicates Z: 25 15.295 2.121 0.176 0.388 0.833 0.583 CB 1.692 25 residues pruned to eliminate duplicates Z: 24 14.934 2.048 0.288 0.365 0.870 0.522 CB 1.570 24 residues pruned to eliminate duplicates Z: 35 17.521 2.009 0.269 0.482 0.794 0.559 CB 1.511 35 residues pruned to eliminate duplicates Z: 25 16.236 2.049 0.359 0.400 0.875 0.625 CB 1.511 25 residues pruned to eliminate duplicates Z: 17 12.626 2.055 0.246 0.314 1.000 0.625 CB 1.514 17 residues pruned to eliminate duplicates Z: 26 15.882 2.085 0.299 0.355 0.840 0.600 CB 1.634 26 residues pruned to eliminate duplicates Z: 25 16.112 2.128 0.198 0.376 0.875 0.542 CB 1.683 25 residues pruned to eliminate duplicates Z: 26 17.558 2.086 0.398 0.375 0.880 0.640 CB 1.564 26 residues pruned to eliminate duplicates Z: 28 15.005 1.981 0.179 0.356 0.926 0.556 CB 1.559 28 residues pruned to eliminate duplicates Z: 15 10.306 2.070 0.270 0.401 0.929 0.571 CB 1.253 15 residues pruned to eliminate duplicates Z: 15 12.206 2.116 0.304 0.441 1.000 0.500 CB 1.257 15 residues pruned to eliminate duplicates Z: 16 10.577 2.071 0.299 0.460 0.933 0.467 CB 1.133 16 residues pruned to eliminate duplicates Z: 33 21.295 2.128 0.417 0.416 0.969 0.531 CB 1.406 33 residues pruned to eliminate duplicates Z: 16 12.988 2.141 0.346 0.477 0.867 0.467 CB 1.374 16 residues pruned to eliminate duplicates Z: 13 9.380 2.182 0.229 0.404 0.917 0.417 CB 1.218 13 residues pruned to eliminate duplicates Z: 15 10.051 1.978 0.217 0.414 1.000 0.429 CB 1.221 15 residues pruned to eliminate duplicates Z: 18 10.395 2.046 0.184 0.447 0.941 0.588 CB 1.167 18 residues pruned to eliminate duplicates Z: 78 45.991 2.270 0.578 0.519 0.922 0.571 CB 1.558 82 residues pruned to eliminate duplicates Z: 9 7.244 1.996 0.041 0.686 0.875 0.500 CB 1.187 9 residues pruned to eliminate duplicates Z: 18 10.914 2.057 0.256 0.393 0.941 0.588 CB 1.220 18 residues pruned to eliminate duplicates Z: 8 4.997 1.618 0.129 0.450 0.857 0.286 CA 1.269 8 residues pruned to eliminate duplicates Z: 17 12.182 2.053 0.370 0.459 0.875 0.500 CB 1.289 17 residues pruned to eliminate duplicates Z: 20 13.973 2.039 0.404 0.436 1.000 0.421 CB 1.196 20 residues pruned to eliminate duplicates Z: 60 50.664 2.320 0.757 0.531 0.932 0.627 CB 1.683 60 residues pruned to eliminate duplicates Z: 18 28.814 2.299 0.712 0.714 1.000 0.647 CB 1.463 18 residues pruned to eliminate duplicates Z: 63 40.653 2.298 0.582 0.512 0.919 0.565 CB 1.527 63 residues pruned to eliminate duplicates Z: 63 50.185 2.304 0.694 0.578 0.935 0.516 CB 1.619 58 residues pruned to eliminate duplicates Z: 15 28.045 2.297 0.680 0.875 1.000 0.929 CB 1.413 15 residues pruned to eliminate duplicates Z: 61 40.500 2.300 0.553 0.523 0.900 0.633 CB 1.590 61 residues pruned to eliminate duplicates Z: 61 42.341 2.266 0.564 0.522 0.950 0.550 CB 1.589 61 residues pruned to eliminate duplicates Z: 64 46.478 2.304 0.654 0.571 0.921 0.619 CB 1.559 64 residues pruned to eliminate duplicates Z: 55 52.762 2.332 0.812 0.582 0.963 0.630 CB 1.632 55 residues pruned to eliminate duplicates Z: 62 45.048 2.309 0.617 0.546 0.918 0.623 CB 1.608 62 residues pruned to eliminate duplicates Z: 64 44.541 2.275 0.617 0.546 0.952 0.667 CB 1.532 64 residues pruned to eliminate duplicates Z: 25 25.110 2.174 0.941 0.498 0.917 0.458 CB 1.328 25 residues pruned to eliminate duplicates Z: 53 50.290 2.356 0.768 0.579 0.962 0.577 CB 1.613 53 residues pruned to eliminate duplicates Z: 57 48.357 2.317 0.689 0.540 0.964 0.571 CB 1.646 57 residues pruned to eliminate duplicates Z: 66 43.460 2.248 0.648 0.537 0.954 0.523 CB 1.471 66 residues pruned to eliminate duplicates Z: 27 32.950 2.259 0.964 0.531 0.962 0.577 CB 1.469 27 residues pruned to eliminate duplicates Z: 64 47.979 2.294 0.694 0.556 0.937 0.556 CB 1.573 64 residues pruned to eliminate duplicates Z: 65 44.271 2.263 0.666 0.564 0.891 0.594 CB 1.550 65 residues pruned to eliminate duplicates Z: 60 43.158 2.313 0.648 0.543 0.898 0.492 CB 1.573 60 residues pruned to eliminate duplicates Z: 62 48.142 2.283 0.689 0.544 0.951 0.623 CB 1.609 62 residues pruned to eliminate duplicates Z: 64 46.566 2.296 0.634 0.548 0.921 0.540 CB 1.621 64 residues pruned to eliminate duplicates Z: 55 47.057 2.357 0.610 0.558 0.963 0.574 CB 1.655 55 residues pruned to eliminate duplicates Z: 38 36.512 2.240 0.648 0.557 0.946 0.649 CB 1.626 38 residues pruned to eliminate duplicates Z: 61 40.908 2.321 0.565 0.522 0.883 0.517 CB 1.610 61 residues pruned to eliminate duplicates Z: 60 45.700 2.314 0.589 0.551 0.932 0.508 CB 1.652 60 residues pruned to eliminate duplicates Z: 54 47.847 2.367 0.688 0.569 0.943 0.604 CB 1.631 54 residues pruned to eliminate duplicates Z: 65 46.561 2.297 0.577 0.545 0.953 0.594 CB 1.613 65 residues pruned to eliminate duplicates Z: 64 47.461 2.317 0.613 0.574 0.937 0.619 CB 1.591 65 residues pruned to eliminate duplicates Z: 17 23.418 2.111 0.449 0.838 0.938 0.562 CA 1.526 17 residues pruned to eliminate duplicates Z: 61 48.555 2.307 0.717 0.541 0.950 0.500 CB 1.601 61 residues pruned to eliminate duplicates Z: 60 54.662 2.345 0.788 0.567 0.966 0.593 CB 1.646 60 residues pruned to eliminate duplicates Z: 57 46.665 2.335 0.751 0.550 0.911 0.589 CB 1.595 57 residues pruned to eliminate duplicates Z: 56 46.178 2.303 0.761 0.555 0.945 0.582 CB 1.540 56 residues pruned to eliminate duplicates Z: 53 43.283 2.379 0.570 0.584 0.904 0.654 CB 1.641 53 residues pruned to eliminate duplicates Z: 53 44.140 2.344 0.655 0.553 0.942 0.500 CB 1.591 53 residues pruned to eliminate duplicates Z: 54 49.150 2.376 0.715 0.567 0.943 0.604 CB 1.645 54 residues pruned to eliminate duplicates Z: 59 45.133 2.269 0.810 0.518 0.914 0.431 CB 1.551 59 residues pruned to eliminate duplicates Z: 59 48.449 2.340 0.705 0.544 0.914 0.534 CB 1.671 59 residues pruned to eliminate duplicates Z: 60 41.838 2.294 0.575 0.535 0.932 0.492 CB 1.563 60 residues pruned to eliminate duplicates Z: 61 49.188 2.337 0.655 0.556 0.950 0.617 CB 1.636 61 residues pruned to eliminate duplicates Z: 54 45.670 2.337 0.675 0.556 0.925 0.585 CB 1.641 54 residues pruned to eliminate duplicates Z: 56 42.945 2.303 0.557 0.554 0.927 0.636 CA 1.653 56 residues pruned to eliminate duplicates Z: 40 39.217 2.245 0.686 0.545 0.974 0.590 CA 1.630 40 residues pruned to eliminate duplicates Z: 38 39.906 2.308 0.644 0.542 0.973 0.595 CA 1.704 38 residues pruned to eliminate duplicates Z: 55 46.272 2.357 0.689 0.558 0.926 0.574 CB 1.614 55 residues pruned to eliminate duplicates Z: 65 43.647 2.296 0.578 0.547 0.922 0.578 CB 1.560 65 residues pruned to eliminate duplicates Z: 59 49.602 2.322 0.687 0.563 0.948 0.586 CB 1.650 59 residues pruned to eliminate duplicates Z: 19 19.418 2.244 0.527 0.470 0.944 0.444 CB 1.458 19 residues pruned to eliminate duplicates Z: 55 51.761 2.324 0.777 0.581 0.944 0.574 CB 1.671 55 residues pruned to eliminate duplicates Z: 66 40.414 2.234 0.670 0.506 0.862 0.492 CB 1.551 66 residues pruned to eliminate duplicates Z: 65 56.135 2.328 0.784 0.559 0.984 0.516 CB 1.620 65 residues pruned to eliminate duplicates Z: 65 51.251 2.318 0.725 0.538 0.938 0.562 CB 1.646 65 residues pruned to eliminate duplicates Z: 83 51.186 2.376 0.546 0.544 0.915 0.610 CB 1.612 83 residues pruned to eliminate duplicates Z: 67 55.888 2.387 0.685 0.597 0.970 0.682 CB 1.607 67 residues pruned to eliminate duplicates Z: 11 16.211 2.335 0.300 0.600 0.900 0.700 CB 1.707 11 residues pruned to eliminate duplicates Z: 82 51.211 2.335 0.591 0.559 0.914 0.568 CB 1.584 82 residues pruned to eliminate duplicates Z: 157 65.156 2.326 0.443 0.568 0.923 0.622 CB 1.576 157 residues pruned to eliminate duplicates Z: 16 10.853 2.086 0.373 0.390 0.733 0.600 CB 1.499 16 residues pruned to eliminate duplicates Z: 29 28.614 2.243 0.661 0.599 0.857 0.750 CB 1.540 29 residues pruned to eliminate duplicates Z: 12 17.531 2.297 0.478 0.723 0.818 0.818 CB 1.557 12 residues pruned to eliminate duplicates Z: 78 51.020 2.376 0.559 0.571 0.909 0.636 CB 1.612 78 residues pruned to eliminate duplicates Z: 23 22.749 2.380 0.430 0.524 0.864 0.727 CB 1.611 23 residues pruned to eliminate duplicates Z: 67 53.860 2.387 0.723 0.591 0.924 0.576 CB 1.599 67 residues pruned to eliminate duplicates Z: 66 49.572 2.407 0.576 0.585 0.892 0.677 CB 1.674 66 residues pruned to eliminate duplicates Z: 62 52.079 2.439 0.627 0.572 0.951 0.656 CB 1.649 62 residues pruned to eliminate duplicates Z: 61 51.572 2.439 0.690 0.565 0.967 0.667 CB 1.568 61 residues pruned to eliminate duplicates Z: 43 39.240 2.400 0.505 0.630 0.881 0.667 CB 1.684 43 residues pruned to eliminate duplicates Z: 85 46.625 2.296 0.555 0.541 0.893 0.595 CB 1.533 85 residues pruned to eliminate duplicates Z: 71 43.991 2.343 0.541 0.542 0.914 0.557 CB 1.529 71 residues pruned to eliminate duplicates Z: 94 52.055 2.323 0.568 0.543 0.914 0.591 CB 1.555 94 residues pruned to eliminate duplicates Z: 57 54.687 2.461 0.733 0.587 0.946 0.625 CB 1.665 57 residues pruned to eliminate duplicates Z: 57 46.469 2.436 0.619 0.565 0.911 0.536 CB 1.624 57 residues pruned to eliminate duplicates Z: 25 26.363 2.389 0.670 0.512 0.875 0.458 CB 1.523 25 residues pruned to eliminate duplicates Z: 72 48.088 2.379 0.647 0.541 0.915 0.592 CB 1.529 72 residues pruned to eliminate duplicates Z: 69 52.807 2.366 0.686 0.575 0.926 0.588 CB 1.612 69 residues pruned to eliminate duplicates Z: 54 49.114 2.396 0.750 0.566 0.943 0.623 CB 1.599 54 residues pruned to eliminate duplicates Z: 57 43.561 2.430 0.573 0.580 0.857 0.607 CB 1.644 57 residues pruned to eliminate duplicates Z: 90 45.389 2.289 0.572 0.493 0.888 0.573 CB 1.517 90 residues pruned to eliminate duplicates Z: 50 27.466 2.219 0.527 0.448 0.857 0.449 CB 1.424 50 residues pruned to eliminate duplicates Z: 54 42.853 2.342 0.746 0.560 0.887 0.604 CB 1.531 54 residues pruned to eliminate duplicates Z: 105 47.644 2.252 0.585 0.520 0.837 0.500 CB 1.535 93 residues pruned to eliminate duplicates Z: 6 4.990 1.812 0.376 0.451 0.800 0.600 CB 1.177 6 residues pruned to eliminate duplicates Z: 177 67.288 2.316 0.468 0.541 0.920 0.608 CB 1.557 177 residues pruned to eliminate duplicates Z: 100 50.056 2.267 0.599 0.527 0.899 0.495 CB 1.504 100 residues pruned to eliminate duplicates Z: 76 44.058 2.366 0.520 0.520 0.907 0.573 CB 1.530 76 residues pruned to eliminate duplicates Z: 56 35.797 2.309 0.534 0.515 0.909 0.473 CB 1.477 56 residues pruned to eliminate duplicates Z: 66 54.982 2.404 0.748 0.572 0.923 0.585 CB 1.640 66 residues pruned to eliminate duplicates Z: 185 65.510 2.289 0.483 0.521 0.908 0.554 CB 1.536 185 residues pruned to eliminate duplicates Z: 42 43.689 2.455 0.678 0.609 0.927 0.683 CB 1.610 42 residues pruned to eliminate duplicates Z: 60 37.915 2.299 0.427 0.494 0.932 0.559 CB 1.623 60 residues pruned to eliminate duplicates Z: 95 51.326 2.326 0.526 0.542 0.915 0.670 CB 1.564 95 residues pruned to eliminate duplicates Z: 118 57.581 2.319 0.507 0.555 0.915 0.538 CB 1.579 118 residues pruned to eliminate duplicates Z: 58 50.093 2.401 0.726 0.577 0.912 0.684 CB 1.630 58 residues pruned to eliminate duplicates Z: 65 58.056 2.408 0.656 0.596 0.969 0.688 CB 1.714 65 residues pruned to eliminate duplicates Z: 83 52.485 2.354 0.621 0.543 0.939 0.683 CB 1.551 83 residues pruned to eliminate duplicates Z: 84 48.342 2.350 0.530 0.520 0.916 0.602 CB 1.580 84 residues pruned to eliminate duplicates Z: 98 46.839 2.284 0.522 0.515 0.887 0.588 CB 1.520 98 residues pruned to eliminate duplicates Z: 72 45.113 2.369 0.561 0.535 0.915 0.634 CB 1.528 72 residues pruned to eliminate duplicates Z: 55 50.016 2.424 0.739 0.567 0.907 0.611 CB 1.667 55 residues pruned to eliminate duplicates Z: 58 52.101 2.451 0.687 0.590 0.947 0.719 CB 1.615 58 residues pruned to eliminate duplicates Z: 41 39.463 2.425 0.680 0.527 0.925 0.600 CB 1.613 41 residues pruned to eliminate duplicates Z: 92 47.883 2.339 0.519 0.521 0.890 0.670 CB 1.555 92 residues pruned to eliminate duplicates Z: 67 57.516 2.412 0.765 0.595 0.939 0.712 CB 1.618 67 residues pruned to eliminate duplicates Z: 15 19.801 2.380 0.662 0.506 0.857 0.500 CB 1.551 15 residues pruned to eliminate duplicates Z: 42 25.623 2.265 0.451 0.428 0.878 0.488 CB 1.494 42 residues pruned to eliminate duplicates Z: 13 21.053 2.455 0.766 0.532 0.833 0.583 CB 1.630 13 residues pruned to eliminate duplicates Z: 51 39.046 2.391 0.562 0.552 0.900 0.620 CB 1.562 51 residues pruned to eliminate duplicates Z: 76 48.291 2.359 0.581 0.535 0.920 0.640 CB 1.570 76 residues pruned to eliminate duplicates Z: 13 14.339 2.361 0.330 0.538 0.917 0.500 CB 1.385 13 residues pruned to eliminate duplicates Z: 95 45.610 2.319 0.545 0.485 0.872 0.468 CB 1.527 95 residues pruned to eliminate duplicates Z: 71 46.640 2.349 0.598 0.535 0.943 0.657 CB 1.522 71 residues pruned to eliminate duplicates Z: 92 55.547 2.375 0.551 0.538 0.945 0.593 CB 1.611 92 residues pruned to eliminate duplicates Z: 16 14.907 2.431 0.435 0.418 0.800 0.600 CB 1.502 16 residues pruned to eliminate duplicates Z: 31 16.378 2.246 0.286 0.438 0.867 0.733 CB 1.274 31 residues pruned to eliminate duplicates Z: 84 49.282 2.374 0.551 0.529 0.904 0.675 CB 1.579 84 residues pruned to eliminate duplicates Z: 31 17.570 2.184 0.288 0.403 0.967 0.500 CB 1.307 31 residues pruned to eliminate duplicates Z: 24 14.285 2.159 0.227 0.417 0.870 0.435 CB 1.410 24 residues pruned to eliminate duplicates Z: 31 22.038 2.244 0.398 0.418 1.000 0.600 CB 1.398 31 residues pruned to eliminate duplicates Z: 90 47.121 2.286 0.580 0.480 0.899 0.539 CB 1.570 90 residues pruned to eliminate duplicates Z: 12 11.263 2.146 0.282 0.467 1.000 0.273 CB 1.277 12 residues pruned to eliminate duplicates Z: 34 18.801 2.141 0.371 0.434 0.879 0.515 CB 1.358 34 residues pruned to eliminate duplicates Z: 46 21.541 2.228 0.284 0.396 0.867 0.400 CB 1.445 46 residues pruned to eliminate duplicates Z: 125 56.884 2.292 0.518 0.532 0.911 0.621 CB 1.561 125 residues pruned to eliminate duplicates Z: 18 13.343 2.082 0.331 0.453 0.882 0.706 CB 1.388 18 residues pruned to eliminate duplicates Z: 93 50.735 2.331 0.540 0.513 0.902 0.598 CB 1.612 93 residues pruned to eliminate duplicates Z: 34 15.536 2.119 0.332 0.423 0.758 0.424 CB 1.371 34 residues pruned to eliminate duplicates Z: 178 68.146 2.307 0.488 0.535 0.915 0.599 CB 1.574 178 residues pruned to eliminate duplicates Z: 28 15.038 2.103 0.336 0.391 0.852 0.296 CB 1.357 28 residues pruned to eliminate duplicates Z: 77 38.557 2.267 0.430 0.518 0.868 0.513 CB 1.543 77 residues pruned to eliminate duplicates Z: 133 50.328 2.261 0.412 0.505 0.894 0.576 CB 1.528 133 residues pruned to eliminate duplicates Z: 42 26.755 2.256 0.434 0.433 0.927 0.415 CB 1.495 42 residues pruned to eliminate duplicates Z: 33 19.838 2.192 0.455 0.433 0.812 0.438 CB 1.451 33 residues pruned to eliminate duplicates Z: 76 42.841 2.308 0.525 0.514 0.907 0.547 CB 1.529 76 residues pruned to eliminate duplicates Z: 44 26.401 2.223 0.423 0.456 0.930 0.488 CB 1.430 44 residues pruned to eliminate duplicates Z: 88 44.572 2.245 0.482 0.547 0.897 0.632 CB 1.530 88 residues pruned to eliminate duplicates Z: 121 46.752 2.226 0.469 0.487 0.900 0.567 CB 1.470 121 residues pruned to eliminate duplicates Z: 107 50.240 2.274 0.492 0.549 0.896 0.575 CB 1.529 107 residues pruned to eliminate duplicates Z: 44 26.108 2.248 0.479 0.422 0.907 0.488 CB 1.433 44 residues pruned to eliminate duplicates Z: 50 36.566 2.296 0.544 0.612 0.878 0.571 CB 1.510 50 residues pruned to eliminate duplicates Z: 42 26.878 2.283 0.534 0.478 0.878 0.561 CB 1.395 42 residues pruned to eliminate duplicates Z: 97 45.490 2.262 0.421 0.533 0.906 0.552 CB 1.543 97 residues pruned to eliminate duplicates Z: 37 40.124 2.314 0.680 0.635 0.944 0.556 CB 1.604 37 residues pruned to eliminate duplicates Z: 37 33.996 2.323 0.556 0.617 0.889 0.583 CB 1.579 37 residues pruned to eliminate duplicates Z: 26 33.560 2.256 0.513 0.755 0.960 0.440 CB 1.632 26 residues pruned to eliminate duplicates Z: 37 39.739 2.304 0.556 0.681 0.972 0.667 CB 1.610 37 residues pruned to eliminate duplicates Z: 36 34.179 2.305 0.548 0.649 0.857 0.543 CB 1.645 36 residues pruned to eliminate duplicates Z: 68 34.979 2.199 0.453 0.566 0.866 0.522 CB 1.450 68 residues pruned to eliminate duplicates Z: 90 43.434 2.271 0.410 0.548 0.899 0.539 CB 1.527 90 residues pruned to eliminate duplicates Z: 49 45.569 2.371 0.524 0.675 0.938 0.604 CB 1.652 49 residues pruned to eliminate duplicates Z: 38 39.155 2.282 0.627 0.695 0.919 0.703 CB 1.579 38 residues pruned to eliminate duplicates Z: 133 54.219 2.259 0.501 0.514 0.909 0.500 CB 1.510 133 residues pruned to eliminate duplicates Z: 96 42.964 2.283 0.495 0.531 0.821 0.495 CB 1.526 96 residues pruned to eliminate duplicates Z: 74 38.958 2.238 0.554 0.529 0.849 0.466 CB 1.501 74 residues pruned to eliminate duplicates Z: 41 42.658 2.350 0.804 0.623 0.875 0.500 CB 1.619 41 residues pruned to eliminate duplicates Z: 35 34.835 2.332 0.533 0.692 0.882 0.529 CB 1.589 35 residues pruned to eliminate duplicates Z: 91 50.294 2.271 0.548 0.557 0.922 0.556 CB 1.547 91 residues pruned to eliminate duplicates Z: 36 38.005 2.320 0.689 0.668 0.857 0.400 CB 1.637 36 residues pruned to eliminate duplicates Z: 94 47.730 2.237 0.498 0.536 0.957 0.505 CB 1.490 94 residues pruned to eliminate duplicates Z: 79 44.334 2.278 0.586 0.575 0.872 0.487 CB 1.483 79 residues pruned to eliminate duplicates Z: 35 40.346 2.335 0.657 0.692 0.912 0.441 CB 1.645 35 residues pruned to eliminate duplicates Z: 133 49.056 2.234 0.501 0.519 0.871 0.515 CB 1.433 133 residues pruned to eliminate duplicates Z: 38 35.439 2.319 0.667 0.663 0.865 0.432 CB 1.498 38 residues pruned to eliminate duplicates Z: 36 41.608 2.357 0.685 0.673 0.914 0.486 CB 1.651 36 residues pruned to eliminate duplicates Z: 77 44.405 2.241 0.594 0.504 0.934 0.579 CB 1.521 77 residues pruned to eliminate duplicates Z: 72 38.552 2.240 0.557 0.530 0.887 0.465 CB 1.435 72 residues pruned to eliminate duplicates Z: 123 51.600 2.239 0.465 0.525 0.926 0.516 CB 1.500 123 residues pruned to eliminate duplicates Z: 175 68.936 2.309 0.510 0.545 0.931 0.563 CB 1.540 175 residues pruned to eliminate duplicates Z: 131 50.749 2.270 0.413 0.528 0.908 0.546 CB 1.488 131 residues pruned to eliminate duplicates Z: 74 49.315 2.266 0.485 0.632 0.973 0.548 CB 1.558 74 residues pruned to eliminate duplicates Z: 57 40.442 2.274 0.600 0.556 0.875 0.411 CB 1.607 57 residues pruned to eliminate duplicates Z: 39 36.059 2.310 0.569 0.629 0.895 0.605 CB 1.598 39 residues pruned to eliminate duplicates Z: 64 48.005 2.341 0.473 0.628 0.952 0.571 CB 1.632 64 residues pruned to eliminate duplicates Z: 21 28.320 2.314 0.434 0.659 1.000 0.650 CB 1.646 21 residues pruned to eliminate duplicates Z: 69 36.141 2.219 0.457 0.475 0.941 0.632 CB 1.478 69 residues pruned to eliminate duplicates Z: 75 46.579 2.296 0.509 0.598 0.905 0.541 CB 1.572 75 residues pruned to eliminate duplicates Z: 23 28.248 2.193 0.476 0.686 0.955 0.591 CB 1.644 23 residues pruned to eliminate duplicates Z: 93 47.815 2.266 0.525 0.564 0.880 0.543 CB 1.540 93 residues pruned to eliminate duplicates Z: 72 43.323 2.275 0.450 0.590 0.915 0.549 CB 1.563 72 residues pruned to eliminate duplicates Z: 29 24.762 2.274 0.257 0.599 0.893 0.607 CB 1.668 29 residues pruned to eliminate duplicates Z: 41 34.018 2.315 0.477 0.529 0.925 0.550 CB 1.653 41 residues pruned to eliminate duplicates Z: 33 24.406 2.236 0.409 0.524 0.906 0.562 CB 1.475 33 residues pruned to eliminate duplicates Z: 125 46.412 2.227 0.377 0.524 0.911 0.532 CB 1.456 125 residues pruned to eliminate duplicates Z: 148 68.109 2.330 0.578 0.579 0.905 0.571 CB 1.565 148 residues pruned to eliminate duplicates Z: 89 48.052 2.277 0.512 0.549 0.898 0.523 CB 1.581 89 residues pruned to eliminate duplicates Z: 114 47.270 2.256 0.458 0.547 0.894 0.531 CB 1.445 114 residues pruned to eliminate duplicates Z: 48 26.550 2.223 0.256 0.485 0.936 0.574 CB 1.504 48 residues pruned to eliminate duplicates Z: 86 49.729 2.265 0.530 0.585 0.929 0.588 CB 1.543 86 residues pruned to eliminate duplicates Z: 102 46.522 2.237 0.460 0.544 0.891 0.535 CB 1.523 102 residues pruned to eliminate duplicates Z: 59 30.214 2.166 0.429 0.489 0.897 0.655 CB 1.445 59 residues pruned to eliminate duplicates Z: 96 50.542 2.239 0.576 0.542 0.947 0.526 CB 1.489 96 residues pruned to eliminate duplicates Z: 88 45.428 2.273 0.616 0.551 0.862 0.517 CB 1.463 88 residues pruned to eliminate duplicates Z: 59 30.126 2.167 0.486 0.477 0.862 0.569 CB 1.457 59 residues pruned to eliminate duplicates Z: 94 52.119 2.272 0.558 0.556 0.935 0.559 CB 1.546 94 residues pruned to eliminate duplicates Z: 121 54.343 2.262 0.582 0.529 0.900 0.542 CB 1.496 121 residues pruned to eliminate duplicates Z: 96 50.543 2.256 0.575 0.561 0.905 0.463 CB 1.518 96 residues pruned to eliminate duplicates Z: 94 51.115 2.257 0.603 0.559 0.914 0.538 CB 1.513 94 residues pruned to eliminate duplicates Z: 88 51.251 2.285 0.547 0.565 0.931 0.575 CB 1.568 88 residues pruned to eliminate duplicates Z: 93 50.499 2.267 0.572 0.551 0.924 0.554 CB 1.521 93 residues pruned to eliminate duplicates Z: 95 46.370 2.237 0.542 0.543 0.894 0.436 CB 1.488 95 residues pruned to eliminate duplicates Z: 93 53.247 2.264 0.605 0.553 0.946 0.511 CB 1.534 93 residues pruned to eliminate duplicates Z: 69 36.156 2.206 0.489 0.462 0.956 0.618 CB 1.452 69 residues pruned to eliminate duplicates Z: 54 29.893 2.153 0.467 0.479 0.925 0.566 CB 1.436 54 residues pruned to eliminate duplicates Z: 77 55.118 2.297 0.662 0.636 0.934 0.408 CB 1.561 77 residues pruned to eliminate duplicates Z: 92 47.147 2.241 0.539 0.547 0.923 0.505 CB 1.483 92 residues pruned to eliminate duplicates Z: 92 56.009 2.296 0.665 0.556 0.934 0.549 CB 1.558 92 residues pruned to eliminate duplicates Z: 93 55.517 2.284 0.659 0.566 0.924 0.500 CB 1.551 93 residues pruned to eliminate duplicates Z: 90 58.115 2.292 0.661 0.597 0.966 0.528 CB 1.527 90 residues pruned to eliminate duplicates Z: 95 48.376 2.237 0.561 0.548 0.926 0.500 CB 1.474 95 residues pruned to eliminate duplicates Z: 58 40.124 2.268 0.559 0.530 0.947 0.596 CB 1.540 58 residues pruned to eliminate duplicates Z: 52 32.587 2.176 0.513 0.530 0.961 0.510 CB 1.401 52 residues pruned to eliminate duplicates Z: 93 52.176 2.273 0.585 0.562 0.924 0.587 CB 1.539 93 residues pruned to eliminate duplicates Z: 79 40.696 2.208 0.605 0.483 0.897 0.500 CB 1.474 79 residues pruned to eliminate duplicates Z: 91 49.189 2.266 0.593 0.554 0.911 0.600 CB 1.495 91 residues pruned to eliminate duplicates Z: 96 52.337 2.242 0.652 0.566 0.926 0.537 CB 1.468 96 residues pruned to eliminate duplicates Z: 93 55.588 2.274 0.604 0.554 0.978 0.500 CB 1.541 93 residues pruned to eliminate duplicates Z: 104 53.225 2.214 0.660 0.567 0.883 0.495 CB 1.513 104 residues pruned to eliminate duplicates Z: 103 54.362 2.248 0.580 0.529 0.941 0.569 CB 1.566 103 residues pruned to eliminate duplicates Z: 94 49.302 2.228 0.683 0.520 0.914 0.495 CB 1.463 94 residues pruned to eliminate duplicates Z: 93 51.060 2.268 0.617 0.562 0.902 0.511 CB 1.516 93 residues pruned to eliminate duplicates Z: 90 45.764 2.260 0.529 0.547 0.888 0.461 CB 1.511 90 residues pruned to eliminate duplicates Z: 122 49.898 2.219 0.547 0.515 0.926 0.562 CB 1.406 122 residues pruned to eliminate duplicates Z: 130 55.358 2.265 0.605 0.500 0.891 0.566 CB 1.504 130 residues pruned to eliminate duplicates Z: 92 45.355 2.260 0.448 0.541 0.923 0.549 CB 1.512 92 residues pruned to eliminate duplicates Z: 33 16.529 2.065 0.297 0.379 0.906 0.562 CB 1.371 33 residues pruned to eliminate duplicates Z: 133 58.452 2.269 0.581 0.525 0.939 0.523 CB 1.473 133 residues pruned to eliminate duplicates Z: 93 53.708 2.281 0.653 0.544 0.924 0.489 CB 1.540 93 residues pruned to eliminate duplicates Z: 56 30.962 2.149 0.580 0.480 0.927 0.545 CB 1.353 56 residues pruned to eliminate duplicates Z: 62 37.107 2.194 0.583 0.458 0.934 0.541 CB 1.528 62 residues pruned to eliminate duplicates Z: 133 50.959 2.252 0.536 0.506 0.886 0.492 CB 1.438 133 residues pruned to eliminate duplicates Z: 23 17.995 2.082 0.386 0.424 0.955 0.727 CB 1.508 23 residues pruned to eliminate duplicates Z: 21 22.775 2.147 0.505 0.493 0.950 0.600 CB 1.672 21 residues pruned to eliminate duplicates Z: 24 17.012 1.996 0.379 0.417 0.913 0.522 CB 1.540 24 residues pruned to eliminate duplicates Z: 14 12.402 2.085 0.438 0.350 0.846 0.615 CA 1.596 14 residues pruned to eliminate duplicates Z: 14 8.508 2.102 0.286 0.292 0.769 0.462 CA 1.433 14 residues pruned to eliminate duplicates Z: 22 18.466 2.143 0.292 0.438 1.000 0.762 CB 1.551 22 residues pruned to eliminate duplicates Z: 21 17.305 2.168 0.327 0.470 0.850 0.600 CB 1.631 21 residues pruned to eliminate duplicates Z: 23 16.282 2.082 0.313 0.400 0.955 0.591 CB 1.478 23 residues pruned to eliminate duplicates Z: 23 23.866 2.081 0.806 0.439 1.000 0.545 CB 1.441 23 residues pruned to eliminate duplicates Z: 11 14.778 1.840 0.626 0.565 0.900 0.400 N 1.629 11 residues pruned to eliminate duplicates Z: 12 14.920 1.868 0.777 0.625 0.818 0.727 CB 1.473 12 residues pruned to eliminate duplicates Z: 19 24.794 2.235 0.816 0.544 0.889 0.611 CB 1.552 19 residues pruned to eliminate duplicates Z: 51 36.201 2.053 0.709 0.629 0.940 0.500 CB 1.375 51 residues pruned to eliminate duplicates Z: 8 22.314 1.969 1.014 0.816 1.000 0.571 N 1.615 8 residues pruned to eliminate duplicates Z: 12 16.511 1.993 0.777 0.536 1.000 0.364 CB 1.357 12 residues pruned to eliminate duplicates Z: 22 24.190 2.103 0.751 0.483 0.952 0.524 CB 1.531 22 residues pruned to eliminate duplicates Z: 12 16.823 1.951 0.757 0.581 1.000 0.364 CB 1.369 12 residues pruned to eliminate duplicates Z: 21 15.495 2.124 0.438 0.462 0.950 0.650 CB 1.242 21 residues pruned to eliminate duplicates Z: 21 18.739 2.108 0.357 0.475 1.000 0.650 CB 1.503 21 residues pruned to eliminate duplicates Z: 10 12.972 2.000 0.438 0.589 0.889 0.444 CA 1.552 10 residues pruned to eliminate duplicates Z: 7 9.859 2.064 0.306 0.661 0.833 0.500 CA 1.544 7 residues pruned to eliminate duplicates Z: 14 10.103 2.130 0.253 0.371 0.846 0.462 CB 1.424 14 residues pruned to eliminate duplicates Z: 22 12.990 2.080 0.310 0.394 0.905 0.476 CB 1.286 22 residues pruned to eliminate duplicates Z: 25 17.604 2.098 0.390 0.448 0.958 0.375 CB 1.357 21 residues pruned to eliminate duplicates Z: 6 14.547 2.149 0.347 0.786 1.000 0.600 CB 1.748 6 residues pruned to eliminate duplicates Z: 26 14.508 2.050 0.332 0.404 0.880 0.400 CB 1.336 26 residues pruned to eliminate duplicates Z: 12 10.269 2.187 0.269 0.422 0.818 0.455 CB 1.479 12 residues pruned to eliminate duplicates Z: 11 13.196 2.222 0.159 0.534 1.000 0.400 CB 1.568 11 residues pruned to eliminate duplicates Z: 25 14.645 2.148 0.337 0.390 0.875 0.458 CB 1.336 25 residues pruned to eliminate duplicates Z: 51 21.987 2.046 0.418 0.507 0.860 0.400 CB 1.237 53 residues pruned to eliminate duplicates Z: 13 18.258 2.144 0.276 0.880 1.000 0.750 CB 1.396 13 residues pruned to eliminate duplicates Z: 58 27.095 2.041 0.399 0.525 0.930 0.526 CB 1.318 58 residues pruned to eliminate duplicates Z: 15 16.061 1.922 0.301 0.831 0.929 0.714 CA 1.390 15 residues pruned to eliminate duplicates Z: 16 13.513 1.948 0.600 0.698 0.800 0.467 CB 1.168 16 residues pruned to eliminate duplicates Z: 35 26.986 2.088 0.415 0.712 0.941 0.618 CB 1.373 35 residues pruned to eliminate duplicates Z: 33 26.789 2.059 0.452 0.675 0.969 0.531 CB 1.392 33 residues pruned to eliminate duplicates Z: 15 16.122 2.064 0.324 0.731 1.000 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 14 17.312 2.109 0.393 0.775 1.000 0.385 CB 1.282 14 residues pruned to eliminate duplicates Z: 38 25.356 1.979 0.504 0.665 0.946 0.595 CB 1.271 38 residues pruned to eliminate duplicates Z: 35 28.883 2.100 0.506 0.707 0.941 0.559 CB 1.379 36 residues pruned to eliminate duplicates Z: 14 17.076 2.024 0.307 0.829 1.000 0.846 CB 1.347 14 residues pruned to eliminate duplicates Z: 29 19.547 2.017 0.443 0.682 0.893 0.643 CB 1.202 29 residues pruned to eliminate duplicates Z: 38 23.914 2.002 0.439 0.678 0.946 0.703 CB 1.225 37 residues pruned to eliminate duplicates Z: 10 10.828 1.867 0.304 0.909 1.000 0.667 CB 1.052 10 residues pruned to eliminate duplicates Z: 31 22.841 2.066 0.386 0.725 0.933 0.700 CB 1.274 31 residues pruned to eliminate duplicates Z: 37 27.862 2.020 0.591 0.692 0.972 0.667 CB 1.247 38 residues pruned to eliminate duplicates Z: 10 12.528 1.702 0.646 0.878 1.000 0.667 CB 1.082 10 residues pruned to eliminate duplicates Z: 39 27.701 1.987 0.583 0.652 0.974 0.632 CB 1.274 39 residues pruned to eliminate duplicates Z: 46 27.735 2.080 0.479 0.615 0.933 0.667 CB 1.292 46 residues pruned to eliminate duplicates Z: 31 26.821 2.035 0.619 0.719 0.967 0.767 CB 1.261 31 residues pruned to eliminate duplicates Z: 15 15.847 1.944 0.647 0.531 0.929 0.429 CB 1.382 15 residues pruned to eliminate duplicates Z: 35 24.305 1.983 0.630 0.627 0.912 0.441 CB 1.255 35 residues pruned to eliminate duplicates Z: 37 23.669 2.037 0.438 0.668 0.917 0.583 CB 1.258 37 residues pruned to eliminate duplicates Z: 14 13.881 2.057 0.609 0.516 0.846 0.385 CB 1.353 14 residues pruned to eliminate duplicates Z: 13 19.253 2.120 0.802 0.519 0.917 0.250 CB 1.558 13 residues pruned to eliminate duplicates Z: 37 25.915 2.020 0.479 0.690 0.972 0.639 CB 1.249 37 residues pruned to eliminate duplicates Z: 36 28.741 2.056 0.593 0.707 0.943 0.543 CB 1.304 36 residues pruned to eliminate duplicates Z: 13 18.225 2.153 0.639 0.546 0.917 0.417 CB 1.555 13 residues pruned to eliminate duplicates Z: 6 15.947 2.231 0.503 0.689 1.000 0.600 CA 1.788 6 residues pruned to eliminate duplicates Z: 36 29.247 2.055 0.585 0.674 0.971 0.600 CB 1.331 36 residues pruned to eliminate duplicates Z: 21 20.239 1.963 0.815 0.599 0.950 0.400 CB 1.217 21 residues pruned to eliminate duplicates Z: 16 17.989 1.995 0.729 0.515 0.933 0.333 CB 1.422 16 residues pruned to eliminate duplicates Z: 32 37.763 2.231 0.577 0.711 0.968 0.710 CB 1.646 32 residues pruned to eliminate duplicates Z: 15 19.212 2.097 0.414 0.788 0.929 0.857 CB 1.447 15 residues pruned to eliminate duplicates Z: 25 22.689 1.952 0.542 0.697 0.917 0.500 CB 1.403 25 residues pruned to eliminate duplicates Z: 32 31.956 2.207 0.466 0.701 0.903 0.645 CB 1.635 32 residues pruned to eliminate duplicates Z: 15 23.589 2.092 0.426 0.868 1.000 0.714 CB 1.545 15 residues pruned to eliminate duplicates Z: 34 31.646 2.135 0.611 0.677 0.909 0.697 CB 1.498 34 residues pruned to eliminate duplicates Z: 58 39.846 2.135 0.484 0.672 0.930 0.649 CB 1.529 58 residues pruned to eliminate duplicates Z: 26 25.918 2.205 0.404 0.758 0.880 0.520 CB 1.513 26 residues pruned to eliminate duplicates Z: 38 34.220 2.224 0.548 0.670 0.892 0.622 CB 1.565 38 residues pruned to eliminate duplicates Z: 61 37.253 2.130 0.448 0.650 0.933 0.567 CB 1.454 61 residues pruned to eliminate duplicates Z: 51 34.215 2.099 0.476 0.678 0.900 0.520 CB 1.472 51 residues pruned to eliminate duplicates Z: 33 34.529 2.161 0.785 0.691 0.844 0.594 CB 1.575 33 residues pruned to eliminate duplicates Z: 24 36.057 2.141 0.735 0.815 0.957 0.609 CB 1.609 24 residues pruned to eliminate duplicates Z: 25 34.896 2.077 0.900 0.782 0.917 0.542 CB 1.535 25 residues pruned to eliminate duplicates Z: 60 35.494 2.090 0.478 0.613 0.915 0.559 CB 1.468 60 residues pruned to eliminate duplicates Z: 61 40.546 2.100 0.558 0.658 0.950 0.617 CB 1.455 61 residues pruned to eliminate duplicates Z: 23 42.675 2.190 0.836 0.855 1.000 0.545 CB 1.670 23 residues pruned to eliminate duplicates Z: 34 37.256 2.154 0.737 0.692 0.939 0.545 CB 1.548 34 residues pruned to eliminate duplicates Z: 49 38.457 2.145 0.538 0.677 0.938 0.604 CB 1.525 49 residues pruned to eliminate duplicates Z: 32 36.782 2.216 0.735 0.721 0.903 0.645 CB 1.558 32 residues pruned to eliminate duplicates Z: 60 44.714 2.137 0.607 0.691 0.949 0.576 CB 1.499 62 residues pruned to eliminate duplicates Z: 7 4.659 1.571 0.539 0.332 1.000 0.500 CA 0.946 7 residues pruned to eliminate duplicates Z: 30 20.278 2.083 0.511 0.574 0.828 0.483 CB 1.346 30 residues pruned to eliminate duplicates Z: 48 44.879 2.150 0.713 0.699 1.000 0.511 CB 1.482 48 residues pruned to eliminate duplicates Z: 32 34.641 2.187 0.842 0.724 0.806 0.613 CB 1.565 32 residues pruned to eliminate duplicates Z: 57 33.382 2.093 0.522 0.621 0.893 0.554 CB 1.398 57 residues pruned to eliminate duplicates Z: 60 41.138 2.112 0.596 0.671 0.915 0.644 CB 1.482 60 residues pruned to eliminate duplicates Z: 40 24.159 2.053 0.395 0.568 0.897 0.641 CB 1.409 39 residues pruned to eliminate duplicates Z: 19 12.624 1.931 0.035 0.768 0.944 0.833 CB 1.244 19 residues pruned to eliminate duplicates Z: 59 42.604 2.146 0.648 0.654 0.966 0.638 CB 1.420 59 residues pruned to eliminate duplicates Z: 9 10.644 2.084 -0.145 0.907 1.000 0.875 CA 1.500 9 residues pruned to eliminate duplicates Z: 27 15.408 1.982 0.341 0.542 0.923 0.423 CB 1.181 27 residues pruned to eliminate duplicates Z: 39 26.032 2.060 0.459 0.535 0.947 0.605 CB 1.433 40 residues pruned to eliminate duplicates Z: 15 17.439 2.053 0.325 0.887 1.000 0.786 CB 1.236 15 residues pruned to eliminate duplicates Z: 39 25.209 2.031 0.542 0.511 0.974 0.500 CB 1.327 39 residues pruned to eliminate duplicates Z: 15 17.394 2.049 0.271 0.907 1.000 0.714 CB 1.269 15 residues pruned to eliminate duplicates Z: 42 31.806 2.025 0.751 0.565 0.951 0.585 CB 1.383 41 residues pruned to eliminate duplicates Z: 15 16.968 2.057 0.355 0.904 1.000 0.857 CB 1.159 15 residues pruned to eliminate duplicates Z: 60 43.530 2.121 0.687 0.668 0.915 0.610 CB 1.481 60 residues pruned to eliminate duplicates Z: 41 26.767 2.029 0.511 0.552 0.925 0.650 CB 1.419 41 residues pruned to eliminate duplicates Z: 15 17.681 2.045 0.382 0.906 1.000 0.714 CB 1.189 15 residues pruned to eliminate duplicates Z: 27 21.029 2.064 0.348 0.651 0.923 0.692 CB 1.395 27 residues pruned to eliminate duplicates Z: 39 26.052 2.065 0.511 0.557 0.921 0.605 CB 1.391 39 residues pruned to eliminate duplicates Z: 40 27.270 2.085 0.563 0.529 0.923 0.538 CB 1.410 40 residues pruned to eliminate duplicates Z: 39 28.210 2.058 0.646 0.538 0.895 0.579 CB 1.455 39 residues pruned to eliminate duplicates 507 residues left after pruning, divided into chains as follows: A: 15 B: 21 C: 200 D: 59 E: 59 F: 153 CC for partial structure against native data = 35.33 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.299, Contrast = 0.432, Connect. = 0.746 for dens.mod. cycle 1 = 0.299, Contrast = 0.481, Connect. = 0.761 for dens.mod. cycle 2 = 0.299, Contrast = 0.622, Connect. = 0.800 for dens.mod. cycle 3 = 0.299, Contrast = 0.635, Connect. = 0.802 for dens.mod. cycle 4 = 0.299, Contrast = 0.651, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.660, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.669, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.675, Connect. = 0.807 for dens.mod. cycle 8 = 0.299, Contrast = 0.682, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.686, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2719 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: 14 30.417 2.381 0.550 0.871 1.000 0.923 CA 1.666 B: 16 26.610 2.153 0.673 0.849 0.933 0.867 CA 1.515 C: 24 23.111 2.105 0.540 0.494 0.957 0.696 CB 1.563 D: 15 31.817 2.306 0.683 0.866 0.929 0.714 CB 1.727 16 residues pruned to eliminate duplicates E: 19 43.399 2.323 0.753 0.949 1.000 0.778 CB 1.734 F: 14 29.854 2.309 0.607 0.940 1.000 0.769 CB 1.550 G: 29 21.519 2.191 0.309 0.545 0.857 0.571 CB 1.582 16 residues pruned to eliminate duplicates H: 20 41.988 2.298 0.689 0.927 1.000 0.579 CB 1.739 20 residues pruned to eliminate duplicates I: 15 19.853 2.268 0.132 0.838 0.929 0.857 CB 1.663 15 residues pruned to eliminate duplicates J: 20 44.403 2.326 0.735 0.929 1.000 0.632 CB 1.767 19 residues pruned to eliminate duplicates K: 14 24.491 2.325 0.310 0.901 1.000 0.846 CA 1.592 14 residues pruned to eliminate duplicates L: 20 44.517 2.321 0.925 0.931 0.947 0.526 CB 1.686 20 residues pruned to eliminate duplicates M: 13 30.059 2.372 0.551 0.841 1.000 0.667 CA 1.760 N: 14 32.775 2.298 0.797 0.851 0.923 0.769 CB 1.765 14 residues pruned to eliminate duplicates O: 13 21.939 2.353 0.159 0.845 1.000 0.667 CA 1.727 P: 16 24.629 2.122 0.694 0.846 0.933 0.733 CA 1.409 13 residues pruned to eliminate duplicates Q: 30 43.320 2.433 0.650 0.743 0.931 0.690 CB 1.731 20 residues pruned to eliminate duplicates R: 11 15.429 1.888 0.292 0.934 1.000 1.000 CB 1.395 S: 14 16.451 2.089 0.209 0.883 1.000 0.769 CB 1.306 T: 10 15.077 2.101 0.265 0.930 1.000 1.000 CB 1.322 9 residues pruned to eliminate duplicates U: 9 15.876 2.198 0.380 0.682 1.000 0.625 CB 1.566 9 residues pruned to eliminate duplicates V: 27 13.357 1.929 0.145 0.386 0.885 0.577 CB 1.513 W: 50 37.196 2.122 0.450 0.703 0.939 0.633 CB 1.529 12 residues pruned to eliminate duplicates X: 148 53.702 2.238 0.437 0.525 0.891 0.537 CB 1.508 44 residues pruned to eliminate duplicates Y: 14 16.047 2.064 0.175 0.825 1.000 0.923 CB 1.386 Z: 15 29.341 2.272 0.458 0.905 1.000 0.929 CA 1.685 15 residues pruned to eliminate duplicates Z: 21 37.381 2.130 0.665 0.946 1.000 0.550 CB 1.630 23 residues pruned to eliminate duplicates Z: 24 12.030 2.049 0.251 0.420 0.913 0.565 CB 1.164 Z: 11 10.204 1.834 0.516 0.667 0.800 0.600 CA 1.244 Z: 27 13.077 1.949 0.197 0.386 0.846 0.538 CB 1.466 28 residues pruned to eliminate duplicates Z: 17 26.553 2.161 0.772 0.851 0.938 0.625 CB 1.368 17 residues pruned to eliminate duplicates Z: 15 28.344 2.315 0.571 0.925 0.857 0.357 CB 1.705 15 residues pruned to eliminate duplicates Z: 20 31.552 2.159 0.340 0.945 1.000 0.842 CB 1.732 20 residues pruned to eliminate duplicates Z: 26 15.593 2.141 0.359 0.478 0.840 0.560 CB 1.305 26 residues pruned to eliminate duplicates Z: 6 13.687 2.057 0.284 0.839 1.000 0.800 CA 1.731 11 residues pruned to eliminate duplicates Z: 50 35.301 2.174 0.584 0.676 0.918 0.592 CB 1.357 43 residues pruned to eliminate duplicates Z: 90 35.430 1.999 0.520 0.503 0.933 0.449 CB 1.322 58 residues pruned to eliminate duplicates Z: 118 48.312 2.243 0.509 0.487 0.906 0.530 CB 1.476 118 residues pruned to eliminate duplicates Z: 15 21.851 2.212 0.363 0.883 0.857 0.571 CA 1.634 15 residues pruned to eliminate duplicates Z: 17 42.199 2.314 0.787 0.917 1.000 0.688 CB 1.800 17 residues pruned to eliminate duplicates Z: 15 24.667 2.331 0.443 0.864 0.857 0.571 CA 1.677 14 residues pruned to eliminate duplicates Z: 58 40.650 2.399 0.552 0.546 0.877 0.632 CB 1.575 48 residues pruned to eliminate duplicates Z: 6 4.331 1.669 0.739 0.422 0.600 0.400 N 1.207 6 residues pruned to eliminate duplicates Z: 123 44.789 2.242 0.393 0.513 0.885 0.533 CB 1.447 123 residues pruned to eliminate duplicates Z: 14 40.193 2.459 0.976 0.905 1.000 0.692 CB 1.633 14 residues pruned to eliminate duplicates Z: 17 23.290 2.093 0.720 0.933 1.000 0.562 CB 1.128 17 residues pruned to eliminate duplicates Z: 20 42.117 2.316 0.665 0.932 1.000 0.632 CB 1.749 20 residues pruned to eliminate duplicates Z: 20 39.820 2.307 0.738 0.942 1.000 0.632 CB 1.580 20 residues pruned to eliminate duplicates Z: 7 11.539 1.797 0.411 0.805 1.000 0.833 CB 1.424 7 residues pruned to eliminate duplicates Z: 58 36.740 2.165 0.566 0.576 0.912 0.596 CB 1.462 23 residues pruned to eliminate duplicates Z: 26 18.644 2.064 0.567 0.397 0.840 0.520 CB 1.530 26 residues pruned to eliminate duplicates Z: 6 11.023 2.161 0.202 0.607 1.000 0.400 N 1.714 Z: 129 60.408 2.344 0.479 0.574 0.898 0.617 CB 1.595 127 residues pruned to eliminate duplicates Z: 15 33.751 2.198 0.993 0.863 1.000 0.643 CA 1.511 16 residues pruned to eliminate duplicates Z: 71 42.181 2.296 0.467 0.532 0.929 0.514 CB 1.562 52 residues pruned to eliminate duplicates Z: 63 39.956 2.244 0.523 0.517 0.903 0.484 CB 1.616 63 residues pruned to eliminate duplicates Z: 16 29.453 2.136 0.786 0.849 0.933 0.600 CA 1.584 16 residues pruned to eliminate duplicates Z: 14 27.947 2.303 0.657 0.923 1.000 0.692 CB 1.428 14 residues pruned to eliminate duplicates Z: 20 41.074 2.297 0.757 0.928 1.000 0.579 CB 1.635 20 residues pruned to eliminate duplicates Z: 21 29.846 2.080 0.398 0.935 1.000 0.950 CB 1.600 21 residues pruned to eliminate duplicates Z: 6 4.091 1.581 0.314 0.489 0.800 0.600 CB 1.113 6 residues pruned to eliminate duplicates Z: 11 11.825 2.099 -0.057 0.929 1.000 0.800 CB 1.323 11 residues pruned to eliminate duplicates Z: 16 31.943 2.141 1.102 0.862 0.933 0.733 CA 1.442 16 residues pruned to eliminate duplicates Z: 25 15.466 2.000 0.151 0.403 0.958 0.583 CB 1.584 25 residues pruned to eliminate duplicates Z: 14 38.554 2.434 0.865 0.933 1.000 0.846 CB 1.643 14 residues pruned to eliminate duplicates Z: 15 24.722 2.233 0.585 0.871 0.929 0.500 CA 1.466 15 residues pruned to eliminate duplicates Z: 15 21.321 2.150 0.444 0.860 0.857 0.500 CA 1.575 15 residues pruned to eliminate duplicates Z: 6 9.886 1.980 0.155 0.831 1.000 1.000 CB 1.452 6 residues pruned to eliminate duplicates Z: 17 20.253 2.121 0.382 0.860 0.938 0.750 CB 1.355 17 residues pruned to eliminate duplicates Z: 21 38.912 2.138 0.795 0.934 0.950 0.850 CB 1.665 21 residues pruned to eliminate duplicates Z: 16 34.952 2.290 0.702 0.839 1.000 0.467 CB 1.730 16 residues pruned to eliminate duplicates Z: 188 63.115 2.261 0.466 0.517 0.904 0.513 CB 1.515 188 residues pruned to eliminate duplicates Z: 93 48.015 2.277 0.485 0.579 0.913 0.522 CB 1.503 93 residues pruned to eliminate duplicates Z: 15 14.126 2.049 0.026 0.923 1.000 0.929 CB 1.262 15 residues pruned to eliminate duplicates Z: 60 41.731 2.173 0.524 0.670 0.932 0.746 CB 1.503 61 residues pruned to eliminate duplicates Z: 7 10.563 2.015 0.311 0.829 0.833 0.833 CB 1.475 7 residues pruned to eliminate duplicates Z: 14 35.294 2.451 0.690 0.912 1.000 0.769 CB 1.673 14 residues pruned to eliminate duplicates Z: 11 13.503 1.982 0.530 0.736 0.800 0.800 CA 1.424 11 residues pruned to eliminate duplicates Z: 14 13.845 2.020 0.026 0.823 1.000 0.769 CB 1.400 14 residues pruned to eliminate duplicates Z: 22 13.257 2.229 0.414 0.400 0.762 0.429 CB 1.339 22 residues pruned to eliminate duplicates Z: 14 27.285 2.422 0.311 0.893 1.000 0.923 CB 1.712 14 residues pruned to eliminate duplicates Z: 14 27.235 2.290 0.559 0.853 1.000 0.692 CA 1.564 14 residues pruned to eliminate duplicates Z: 20 38.940 2.209 0.678 0.952 1.000 0.842 CA 1.660 20 residues pruned to eliminate duplicates Z: 14 43.703 2.401 1.066 0.905 1.000 0.846 CB 1.739 14 residues pruned to eliminate duplicates Z: 6 5.019 1.703 -0.077 0.701 1.000 0.400 CB 1.190 6 residues pruned to eliminate duplicates Z: 59 31.334 2.209 0.447 0.470 0.914 0.517 CB 1.452 59 residues pruned to eliminate duplicates Z: 49 28.280 2.051 0.477 0.602 0.938 0.625 CB 1.305 49 residues pruned to eliminate duplicates Z: 20 39.052 2.329 0.781 0.928 0.947 0.632 CB 1.596 20 residues pruned to eliminate duplicates Z: 7 12.234 2.127 0.373 0.660 1.000 0.500 CA 1.474 7 residues pruned to eliminate duplicates Z: 30 12.494 1.880 0.174 0.352 0.828 0.517 CB 1.490 30 residues pruned to eliminate duplicates Z: 20 14.880 2.041 0.578 0.455 0.789 0.474 CB 1.406 20 residues pruned to eliminate duplicates Z: 76 46.635 2.281 0.531 0.569 0.933 0.560 CB 1.545 76 residues pruned to eliminate duplicates Z: 173 64.304 2.315 0.482 0.520 0.919 0.564 CB 1.525 173 residues pruned to eliminate duplicates Z: 57 41.209 2.320 0.487 0.536 0.929 0.589 CB 1.658 57 residues pruned to eliminate duplicates Z: 22 32.013 2.066 0.644 0.906 0.952 0.667 CB 1.536 22 residues pruned to eliminate duplicates Z: 14 15.363 2.069 0.087 0.908 1.000 0.923 CB 1.346 14 residues pruned to eliminate duplicates Z: 97 42.802 2.166 0.516 0.458 0.896 0.500 CB 1.551 97 residues pruned to eliminate duplicates Z: 15 13.410 1.914 0.215 0.764 0.929 0.643 CB 1.313 15 residues pruned to eliminate duplicates Z: 16 35.521 2.296 0.860 0.898 0.933 0.467 CB 1.646 16 residues pruned to eliminate duplicates Z: 36 29.757 2.255 0.684 0.546 0.857 0.686 CB 1.477 36 residues pruned to eliminate duplicates Z: 14 18.006 2.102 0.270 0.929 1.000 1.000 CB 1.309 14 residues pruned to eliminate duplicates Z: 45 20.569 2.227 0.238 0.425 0.864 0.477 CB 1.408 45 residues pruned to eliminate duplicates Z: 15 19.459 2.104 0.221 0.885 1.000 0.857 CA 1.461 15 residues pruned to eliminate duplicates Z: 21 16.923 2.161 0.368 0.538 0.950 0.600 CB 1.297 20 residues pruned to eliminate duplicates Z: 9 13.898 1.779 0.760 0.868 0.750 0.625 N 1.529 9 residues pruned to eliminate duplicates Z: 10 13.313 1.951 0.279 0.913 1.000 1.000 CB 1.259 10 residues pruned to eliminate duplicates Z: 30 27.569 2.088 0.529 0.708 0.931 0.621 CB 1.426 30 residues pruned to eliminate duplicates Z: 11 21.803 2.015 0.682 0.894 1.000 0.500 CB 1.459 11 residues pruned to eliminate duplicates Z: 12 20.212 1.960 0.560 0.885 1.000 0.909 CB 1.440 12 residues pruned to eliminate duplicates Z: 21 32.424 2.133 0.447 0.943 1.000 0.850 CB 1.628 21 residues pruned to eliminate duplicates Z: 10 8.191 1.914 0.251 0.490 0.889 0.444 CB 1.295 10 residues pruned to eliminate duplicates Z: 20 34.802 2.263 0.493 0.925 0.947 0.895 CB 1.751 20 residues pruned to eliminate duplicates Z: 21 31.984 2.111 0.493 0.913 0.950 0.750 CB 1.691 21 residues pruned to eliminate duplicates Z: 11 18.275 2.025 0.457 0.903 1.000 0.800 CB 1.396 11 residues pruned to eliminate duplicates Z: 14 16.007 2.053 0.314 0.879 1.000 0.692 CB 1.193 14 residues pruned to eliminate duplicates Z: 12 15.229 2.127 0.284 0.836 0.909 0.818 CB 1.385 12 residues pruned to eliminate duplicates Z: 10 12.441 2.095 0.331 0.818 0.889 0.778 CB 1.269 10 residues pruned to eliminate duplicates Z: 21 32.745 2.117 0.462 0.939 1.000 0.850 CB 1.644 21 residues pruned to eliminate duplicates Z: 22 30.152 2.107 0.477 0.895 0.952 0.619 CA 1.592 22 residues pruned to eliminate duplicates Z: 13 24.392 1.969 0.878 0.924 1.000 0.417 CB 1.338 14 residues pruned to eliminate duplicates Z: 192 68.838 2.283 0.473 0.545 0.916 0.560 CB 1.548 190 residues pruned to eliminate duplicates Z: 21 14.042 2.200 0.357 0.368 0.900 0.400 CB 1.347 21 residues pruned to eliminate duplicates Z: 12 14.086 2.160 0.879 0.456 0.909 0.727 CB 1.204 12 residues pruned to eliminate duplicates Z: 15 13.125 2.142 -0.011 0.827 0.929 0.714 CA 1.344 15 residues pruned to eliminate duplicates Z: 13 26.916 2.265 0.641 0.860 0.917 0.667 CA 1.677 13 residues pruned to eliminate duplicates Z: 6 4.874 1.679 0.276 0.825 0.800 0.800 N 0.960 6 residues pruned to eliminate duplicates Z: 12 23.774 1.962 0.754 0.892 1.000 0.727 CB 1.497 12 residues pruned to eliminate duplicates Z: 17 23.955 2.201 0.625 0.909 0.812 0.312 CB 1.463 17 residues pruned to eliminate duplicates Z: 21 36.205 2.299 0.539 0.930 0.950 0.850 CB 1.684 21 residues pruned to eliminate duplicates Z: 6 13.401 2.427 -0.023 0.897 1.000 1.000 CA 1.809 6 residues pruned to eliminate duplicates Z: 27 36.521 2.163 0.689 0.773 1.000 0.462 CB 1.540 27 residues pruned to eliminate duplicates Z: 22 39.547 2.123 0.810 0.907 1.000 0.810 CB 1.595 22 residues pruned to eliminate duplicates Z: 12 11.767 2.016 0.262 0.824 0.818 0.545 CB 1.287 12 residues pruned to eliminate duplicates Z: 65 49.419 2.273 0.690 0.543 0.984 0.531 CB 1.566 65 residues pruned to eliminate duplicates Z: 6 7.209 1.776 0.506 0.471 1.000 0.600 CA 1.241 6 residues pruned to eliminate duplicates Z: 14 21.205 2.231 0.179 0.878 1.000 0.769 CB 1.623 14 residues pruned to eliminate duplicates Z: 16 27.551 2.251 0.638 0.892 1.000 0.533 CB 1.386 16 residues pruned to eliminate duplicates Z: 126 53.083 2.299 0.478 0.538 0.904 0.536 CB 1.489 126 residues pruned to eliminate duplicates Z: 6 4.755 1.660 -0.261 0.835 1.000 0.800 CA 1.298 6 residues pruned to eliminate duplicates Z: 19 33.294 2.259 0.855 0.913 0.833 0.500 CB 1.591 19 residues pruned to eliminate duplicates Z: 14 35.738 2.379 0.741 0.921 1.000 0.692 CB 1.684 14 residues pruned to eliminate duplicates Z: 31 35.130 2.161 0.635 0.715 0.900 0.633 CB 1.660 31 residues pruned to eliminate duplicates Z: 10 9.807 1.819 0.298 0.839 0.889 0.667 CB 1.163 10 residues pruned to eliminate duplicates Z: 13 14.890 2.086 0.323 0.888 1.000 0.917 CB 1.122 13 residues pruned to eliminate duplicates Z: 88 40.881 2.108 0.504 0.514 0.897 0.529 CB 1.521 88 residues pruned to eliminate duplicates Z: 62 51.073 2.306 0.756 0.549 0.967 0.623 CB 1.591 62 residues pruned to eliminate duplicates Z: 7 9.046 1.764 0.109 0.807 1.000 0.333 C 1.444 7 residues pruned to eliminate duplicates Z: 13 37.443 2.413 0.812 0.886 1.000 0.583 CB 1.784 13 residues pruned to eliminate duplicates Z: 95 51.679 2.339 0.533 0.536 0.894 0.596 CB 1.606 95 residues pruned to eliminate duplicates Z: 176 69.953 2.316 0.479 0.545 0.937 0.577 CB 1.576 176 residues pruned to eliminate duplicates Z: 66 33.127 2.163 0.519 0.470 0.877 0.446 CB 1.470 66 residues pruned to eliminate duplicates Z: 62 44.242 2.353 0.391 0.616 0.934 0.656 CB 1.660 62 residues pruned to eliminate duplicates Z: 25 15.267 2.048 0.331 0.426 0.917 0.458 CB 1.347 21 residues pruned to eliminate duplicates Z: 7 13.741 1.932 0.615 0.698 1.000 0.500 CA 1.500 7 residues pruned to eliminate duplicates Z: 13 19.794 1.984 0.437 0.918 1.000 0.417 CB 1.414 15 residues pruned to eliminate duplicates Z: 179 59.429 2.259 0.388 0.515 0.933 0.545 CB 1.501 179 residues pruned to eliminate duplicates Z: 10 11.965 1.850 0.357 0.803 0.889 0.444 CB 1.372 10 residues pruned to eliminate duplicates Z: 19 18.926 2.236 0.245 0.571 0.944 0.611 CB 1.584 19 residues pruned to eliminate duplicates Z: 21 30.242 2.278 0.415 0.905 0.900 0.800 CB 1.659 21 residues pruned to eliminate duplicates Z: 15 30.732 2.291 0.839 0.884 1.000 0.643 CB 1.409 15 residues pruned to eliminate duplicates Z: 60 40.792 2.278 0.602 0.532 0.898 0.593 CB 1.570 60 residues pruned to eliminate duplicates Z: 11 14.244 2.014 0.420 0.788 0.900 0.700 CB 1.358 11 residues pruned to eliminate duplicates Z: 19 26.120 2.295 0.426 0.723 0.944 0.611 CA 1.629 19 residues pruned to eliminate duplicates Z: 14 25.216 2.316 0.415 0.868 1.000 0.538 CA 1.559 14 residues pruned to eliminate duplicates Z: 79 39.960 2.202 0.633 0.487 0.833 0.487 CB 1.530 79 residues pruned to eliminate duplicates Z: 6 16.398 2.119 0.617 0.858 1.000 1.000 CB 1.576 6 residues pruned to eliminate duplicates Z: 15 15.765 1.994 0.191 0.903 1.000 0.786 CB 1.265 15 residues pruned to eliminate duplicates Z: 11 19.717 2.036 0.808 0.798 0.900 0.800 CA 1.450 11 residues pruned to eliminate duplicates Z: 10 13.323 2.142 0.354 0.817 0.889 0.556 CB 1.308 10 residues pruned to eliminate duplicates Z: 14 16.299 1.830 0.238 0.923 1.000 0.846 CB 1.402 13 residues pruned to eliminate duplicates Z: 6 5.551 1.722 0.266 0.717 1.000 0.600 CB 0.936 6 residues pruned to eliminate duplicates Z: 12 10.909 2.075 -0.091 0.873 1.000 0.909 CB 1.270 12 residues pruned to eliminate duplicates Z: 9 12.783 2.043 0.206 0.871 1.000 0.875 CB 1.338 9 residues pruned to eliminate duplicates Z: 10 14.994 1.818 0.518 0.895 1.000 0.889 CB 1.299 10 residues pruned to eliminate duplicates Z: 12 21.407 1.899 0.718 0.900 1.000 0.909 CB 1.413 12 residues pruned to eliminate duplicates Z: 12 17.234 2.150 0.228 0.887 1.000 0.818 CB 1.419 12 residues pruned to eliminate duplicates Z: 9 16.706 1.969 0.453 0.912 1.000 1.000 CB 1.462 9 residues pruned to eliminate duplicates Z: 15 16.415 2.194 0.199 0.764 0.857 0.643 CA 1.539 15 residues pruned to eliminate duplicates Z: 15 18.927 2.178 0.506 0.581 0.857 0.714 CB 1.665 15 residues pruned to eliminate duplicates Z: 16 25.093 2.147 0.446 0.885 1.000 0.800 CA 1.507 16 residues pruned to eliminate duplicates Z: 16 19.929 2.121 0.184 0.874 0.933 0.733 CA 1.599 16 residues pruned to eliminate duplicates Z: 19 31.559 2.306 0.801 0.756 0.889 0.500 CB 1.605 19 residues pruned to eliminate duplicates Z: 7 10.005 1.950 0.223 0.863 1.000 0.833 CB 1.257 7 residues pruned to eliminate duplicates Z: 29 24.707 2.066 0.382 0.756 0.964 0.786 CB 1.351 24 residues pruned to eliminate duplicates Z: 65 40.954 2.173 0.598 0.541 0.906 0.625 CB 1.564 65 residues pruned to eliminate duplicates Z: 45 38.545 2.252 0.596 0.509 0.977 0.545 CB 1.639 45 residues pruned to eliminate duplicates Z: 14 17.317 2.069 0.383 0.835 1.000 0.846 CB 1.258 14 residues pruned to eliminate duplicates Z: 14 33.493 2.352 0.701 0.892 1.000 0.846 CA 1.668 14 residues pruned to eliminate duplicates Z: 32 26.674 2.266 0.565 0.520 0.935 0.548 CB 1.415 32 residues pruned to eliminate duplicates Z: 14 12.243 2.043 0.007 0.929 1.000 1.000 CB 1.155 14 residues pruned to eliminate duplicates Z: 14 16.827 1.864 0.549 0.883 0.846 0.692 CB 1.381 14 residues pruned to eliminate duplicates Z: 13 17.359 2.061 0.325 0.899 1.000 0.667 CB 1.312 13 residues pruned to eliminate duplicates Z: 16 25.880 2.158 0.512 0.869 1.000 0.733 CA 1.496 16 residues pruned to eliminate duplicates Z: 14 20.425 1.876 0.536 0.922 1.000 0.846 CB 1.383 14 residues pruned to eliminate duplicates Z: 202 69.071 2.259 0.455 0.548 0.925 0.567 CB 1.529 202 residues pruned to eliminate duplicates Z: 13 17.308 1.928 0.303 0.886 1.000 0.917 CB 1.435 14 residues pruned to eliminate duplicates Z: 66 32.243 2.238 0.352 0.500 0.877 0.554 CB 1.507 66 residues pruned to eliminate duplicates Z: 75 42.377 2.303 0.528 0.521 0.892 0.527 CB 1.538 75 residues pruned to eliminate duplicates Z: 13 22.708 2.366 0.243 0.904 1.000 0.833 CB 1.588 13 residues pruned to eliminate duplicates Z: 13 11.908 1.792 0.170 0.882 0.917 0.750 CB 1.294 Z: 65 42.773 2.284 0.494 0.621 0.906 0.609 CB 1.542 65 residues pruned to eliminate duplicates Z: 39 20.151 1.886 0.344 0.628 0.895 0.658 CB 1.278 39 residues pruned to eliminate duplicates Z: 14 30.516 2.312 0.704 0.925 1.000 0.615 CB 1.507 14 residues pruned to eliminate duplicates Z: 13 24.029 1.861 0.868 0.883 1.000 0.667 CB 1.443 13 residues pruned to eliminate duplicates Z: 79 43.063 2.280 0.586 0.485 0.872 0.526 CB 1.569 79 residues pruned to eliminate duplicates Z: 181 72.054 2.327 0.529 0.536 0.922 0.556 CB 1.580 181 residues pruned to eliminate duplicates Z: 38 38.051 2.340 0.643 0.532 0.946 0.541 CB 1.666 38 residues pruned to eliminate duplicates Z: 15 19.807 2.245 0.211 0.789 0.929 0.857 CA 1.626 15 residues pruned to eliminate duplicates Z: 13 18.773 2.099 0.551 0.852 0.917 0.750 CB 1.343 13 residues pruned to eliminate duplicates Z: 8 13.481 1.854 0.433 0.836 1.000 0.857 CB 1.436 8 residues pruned to eliminate duplicates Z: 13 20.937 1.828 0.893 0.907 1.000 0.833 CB 1.242 13 residues pruned to eliminate duplicates Z: 14 9.398 1.748 -0.029 0.891 0.846 0.846 CA 1.305 14 residues pruned to eliminate duplicates Z: 15 11.009 1.717 0.338 0.831 0.857 0.571 CB 1.122 13 residues pruned to eliminate duplicates Z: 11 10.562 1.816 0.032 0.844 1.000 0.900 CB 1.326 11 residues pruned to eliminate duplicates Z: 8 19.771 2.230 0.558 0.844 1.000 1.000 CB 1.601 8 residues pruned to eliminate duplicates Z: 7 10.825 1.826 0.369 0.759 1.000 0.667 CA 1.404 7 residues pruned to eliminate duplicates Z: 64 48.507 2.324 0.597 0.597 0.921 0.683 CB 1.630 64 residues pruned to eliminate duplicates Z: 15 19.280 2.152 0.094 0.909 1.000 1.000 CA 1.554 15 residues pruned to eliminate duplicates Z: 13 11.097 1.629 0.128 0.886 1.000 0.583 CB 1.258 13 residues pruned to eliminate duplicates Z: 6 13.942 2.306 0.288 0.729 1.000 0.800 CA 1.709 6 residues pruned to eliminate duplicates Z: 40 29.433 2.028 0.480 0.638 0.897 0.692 CB 1.537 40 residues pruned to eliminate duplicates Z: 9 18.706 2.256 0.317 0.828 1.000 0.875 CB 1.676 9 residues pruned to eliminate duplicates Z: 12 11.937 1.803 0.197 0.863 0.909 0.909 CB 1.345 13 residues pruned to eliminate duplicates Z: 13 22.366 1.955 0.638 0.929 1.000 0.833 CB 1.411 13 residues pruned to eliminate duplicates Z: 14 30.135 2.291 0.680 0.919 1.000 1.000 CB 1.530 14 residues pruned to eliminate duplicates Z: 21 8.188 1.947 0.306 0.199 0.800 0.450 CB 1.288 21 residues pruned to eliminate duplicates Z: 10 11.755 1.865 0.233 0.843 1.000 0.556 CB 1.268 10 residues pruned to eliminate duplicates Z: 6 10.528 2.100 0.251 0.877 1.000 1.000 CB 1.302 6 residues pruned to eliminate duplicates Z: 21 37.741 2.277 0.520 0.933 1.000 0.950 CB 1.702 21 residues pruned to eliminate duplicates Z: 19 10.454 1.911 0.176 0.357 0.833 0.611 CA 1.536 17 residues pruned to eliminate duplicates Z: 30 36.733 2.274 0.517 0.685 0.966 0.586 CA 1.728 30 residues pruned to eliminate duplicates Z: 9 10.271 1.926 0.285 0.796 0.875 0.375 CB 1.294 9 residues pruned to eliminate duplicates Z: 19 24.385 2.144 0.640 0.746 0.944 0.611 CB 1.389 19 residues pruned to eliminate duplicates Z: 31 22.057 1.962 0.358 0.685 0.933 0.700 CB 1.367 31 residues pruned to eliminate duplicates Z: 9 10.038 1.866 0.269 0.718 0.875 0.500 CB 1.407 9 residues pruned to eliminate duplicates Z: 13 11.367 2.204 0.141 0.505 0.833 0.500 CB 1.558 13 residues pruned to eliminate duplicates Z: 161 68.084 2.305 0.566 0.549 0.906 0.538 CB 1.568 161 residues pruned to eliminate duplicates Z: 12 10.435 1.738 0.422 0.523 0.909 0.818 CB 1.369 12 residues pruned to eliminate duplicates Z: 145 65.517 2.333 0.551 0.557 0.889 0.507 CB 1.605 145 residues pruned to eliminate duplicates Z: 13 11.053 1.745 0.582 0.546 0.833 0.583 CA 1.326 13 residues pruned to eliminate duplicates Z: 87 47.047 2.266 0.434 0.579 0.942 0.581 CB 1.536 87 residues pruned to eliminate duplicates Z: 13 18.323 2.259 0.524 0.454 1.000 0.417 CB 1.611 15 residues pruned to eliminate duplicates Z: 10 13.140 2.117 0.258 0.819 1.000 0.333 CB 1.247 10 residues pruned to eliminate duplicates Z: 9 10.112 2.089 0.191 0.848 0.875 0.625 CB 1.218 9 residues pruned to eliminate duplicates Z: 9 5.733 1.864 0.289 0.422 0.750 0.750 CB 1.220 9 residues pruned to eliminate duplicates Z: 12 13.356 1.813 0.127 0.885 1.000 1.000 CB 1.423 12 residues pruned to eliminate duplicates Z: 14 16.004 1.998 0.447 0.846 0.923 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 13 12.059 1.802 0.108 0.873 1.000 0.917 CB 1.270 13 residues pruned to eliminate duplicates Z: 54 45.187 2.309 0.524 0.700 0.925 0.623 CB 1.590 54 residues pruned to eliminate duplicates Z: 11 16.789 2.133 0.564 0.881 0.900 0.300 CB 1.280 11 residues pruned to eliminate duplicates Z: 14 16.623 2.015 0.104 0.892 1.000 0.923 CA 1.489 14 residues pruned to eliminate duplicates Z: 13 22.227 1.802 0.993 0.913 1.000 0.750 CB 1.264 13 residues pruned to eliminate duplicates Z: 13 10.033 2.070 0.485 0.456 0.750 0.500 CB 1.314 13 residues pruned to eliminate duplicates Z: 14 13.363 2.262 0.413 0.527 0.846 0.538 CB 1.334 14 residues pruned to eliminate duplicates Z: 37 23.810 2.024 0.415 0.665 0.917 0.722 CB 1.297 37 residues pruned to eliminate duplicates Z: 26 20.426 2.037 0.464 0.433 0.920 0.560 CB 1.597 26 residues pruned to eliminate duplicates Z: 12 17.013 2.182 0.274 0.862 1.000 0.636 CB 1.355 12 residues pruned to eliminate duplicates Z: 9 11.923 1.914 0.312 0.866 1.000 0.875 CA 1.229 9 residues pruned to eliminate duplicates Z: 63 47.363 2.381 0.585 0.560 0.919 0.613 CB 1.636 63 residues pruned to eliminate duplicates Z: 11 18.496 1.997 0.681 0.897 1.000 1.000 CB 1.247 11 residues pruned to eliminate duplicates Z: 26 17.354 2.006 0.417 0.444 0.880 0.520 CB 1.470 26 residues pruned to eliminate duplicates Z: 33 33.217 2.142 0.749 0.714 0.906 0.406 CB 1.425 33 residues pruned to eliminate duplicates Z: 15 16.255 1.979 0.368 0.801 0.929 0.786 CB 1.329 15 residues pruned to eliminate duplicates Z: 132 57.986 2.296 0.537 0.508 0.931 0.504 CB 1.528 132 residues pruned to eliminate duplicates Z: 32 35.409 2.160 0.829 0.715 0.871 0.548 CB 1.522 32 residues pruned to eliminate duplicates Z: 13 20.962 2.293 0.178 0.902 1.000 0.750 CA 1.598 13 residues pruned to eliminate duplicates Z: 40 28.757 2.045 0.606 0.554 0.923 0.590 CB 1.441 40 residues pruned to eliminate duplicates Z: 15 35.544 2.320 0.934 0.875 0.929 0.857 CB 1.658 15 residues pruned to eliminate duplicates Z: 12 27.156 2.174 0.886 0.924 1.000 0.455 CB 1.402 12 residues pruned to eliminate duplicates Z: 19 29.157 2.209 0.763 0.936 0.889 0.500 CB 1.382 19 residues pruned to eliminate duplicates Z: 15 13.458 1.877 0.247 0.846 0.929 0.571 CB 1.229 15 residues pruned to eliminate duplicates Z: 23 13.603 1.932 0.541 0.438 0.955 0.455 CB 1.088 23 residues pruned to eliminate duplicates Z: 61 41.559 2.259 0.504 0.546 0.933 0.583 CB 1.619 61 residues pruned to eliminate duplicates Z: 13 17.991 2.036 0.363 0.884 1.000 0.583 CB 1.353 13 residues pruned to eliminate duplicates Z: 6 5.281 1.769 -0.261 0.821 1.000 0.600 CA 1.368 6 residues pruned to eliminate duplicates Z: 17 21.593 2.303 0.601 0.572 0.875 0.688 CB 1.561 17 residues pruned to eliminate duplicates Z: 14 16.562 2.000 0.168 0.858 1.000 0.846 CB 1.449 14 residues pruned to eliminate duplicates Z: 15 13.226 1.979 0.503 0.510 0.857 0.571 CB 1.373 13 residues pruned to eliminate duplicates Z: 15 17.310 1.992 0.282 0.918 1.000 0.786 CB 1.277 15 residues pruned to eliminate duplicates Z: 13 14.895 1.809 0.263 0.896 1.000 0.833 CA 1.348 13 residues pruned to eliminate duplicates Z: 17 19.391 2.121 0.316 0.839 0.938 0.938 CB 1.383 17 residues pruned to eliminate duplicates Z: 7 19.649 2.059 0.647 0.891 1.000 1.000 CB 1.701 7 residues pruned to eliminate duplicates Z: 13 15.856 2.046 0.404 0.843 0.917 0.667 CB 1.293 13 residues pruned to eliminate duplicates Z: 23 14.186 1.997 0.304 0.438 0.909 0.591 CB 1.362 23 residues pruned to eliminate duplicates Z: 65 46.467 2.252 0.717 0.536 0.906 0.516 CB 1.599 65 residues pruned to eliminate duplicates Z: 175 68.183 2.306 0.516 0.530 0.937 0.580 CB 1.532 175 residues pruned to eliminate duplicates Z: 15 18.030 1.986 0.497 0.809 1.000 0.643 CB 1.238 15 residues pruned to eliminate duplicates Z: 14 12.799 1.788 0.258 0.893 0.923 0.692 CB 1.227 14 residues pruned to eliminate duplicates Z: 58 36.782 2.283 0.497 0.568 0.860 0.544 CB 1.553 58 residues pruned to eliminate duplicates Z: 14 13.910 2.081 0.137 0.906 0.923 0.846 CB 1.257 14 residues pruned to eliminate duplicates Z: 15 12.421 2.023 0.182 0.797 0.857 0.714 CB 1.248 15 residues pruned to eliminate duplicates Z: 7 2.626 1.431 0.314 0.269 0.833 0.500 N 0.890 Z: 58 37.152 2.140 0.614 0.538 0.912 0.561 CB 1.505 58 residues pruned to eliminate duplicates Z: 38 26.995 2.055 0.488 0.697 0.892 0.730 CB 1.360 36 residues pruned to eliminate duplicates Z: 28 14.492 1.932 0.254 0.378 0.889 0.519 CB 1.475 28 residues pruned to eliminate duplicates Z: 43 32.269 2.254 0.492 0.597 0.881 0.476 CB 1.533 43 residues pruned to eliminate duplicates Z: 7 12.177 2.068 0.769 0.625 0.833 0.333 CA 1.449 7 residues pruned to eliminate duplicates Z: 38 23.951 2.195 0.358 0.529 0.811 0.595 CA 1.583 38 residues pruned to eliminate duplicates Z: 47 26.247 2.078 0.409 0.541 0.848 0.674 CB 1.498 47 residues pruned to eliminate duplicates Z: 11 13.597 1.971 0.154 0.882 1.000 0.800 CB 1.368 11 residues pruned to eliminate duplicates Z: 41 22.513 2.271 0.424 0.447 0.825 0.525 CB 1.408 41 residues pruned to eliminate duplicates Z: 16 24.680 2.145 0.405 0.878 1.000 0.867 CA 1.535 16 residues pruned to eliminate duplicates Z: 14 18.279 2.105 0.393 0.807 1.000 0.538 CB 1.324 14 residues pruned to eliminate duplicates Z: 10 8.504 2.195 0.455 0.211 0.778 0.556 CA 1.605 10 residues pruned to eliminate duplicates Z: 13 13.482 2.082 0.334 0.449 0.917 0.417 CB 1.611 13 residues pruned to eliminate duplicates Z: 8 9.809 1.906 0.464 0.811 0.714 0.714 CB 1.419 8 residues pruned to eliminate duplicates Z: 6 4.588 1.726 -0.154 0.616 1.000 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 7 2.622 1.672 0.161 0.180 0.833 0.333 CB 0.972 Z: 13 21.131 2.056 0.665 0.866 1.000 0.667 CB 1.305 15 residues pruned to eliminate duplicates Z: 7 10.332 2.003 -0.044 0.892 1.000 1.000 CB 1.583 7 residues pruned to eliminate duplicates Z: 10 9.866 1.825 0.174 0.839 0.889 0.778 CB 1.290 10 residues pruned to eliminate duplicates Z: 13 17.890 1.760 0.550 0.924 1.000 0.250 CB 1.330 13 residues pruned to eliminate duplicates Z: 26 15.457 2.075 0.432 0.388 0.880 0.480 CB 1.331 26 residues pruned to eliminate duplicates Z: 21 31.367 2.252 0.339 0.910 1.000 0.800 CB 1.650 21 residues pruned to eliminate duplicates Z: 36 29.069 2.190 0.450 0.603 0.886 0.571 CA 1.584 36 residues pruned to eliminate duplicates Z: 13 7.590 1.927 0.345 0.475 0.833 0.583 CB 1.040 13 residues pruned to eliminate duplicates Z: 13 12.582 1.633 0.212 0.882 1.000 0.833 CB 1.328 13 residues pruned to eliminate duplicates Z: 68 47.684 2.201 0.763 0.538 0.940 0.552 CB 1.539 68 residues pruned to eliminate duplicates Z: 8 6.955 1.578 0.268 0.882 1.000 0.857 CB 0.951 7 residues pruned to eliminate duplicates Z: 14 14.765 1.703 0.612 0.817 1.000 0.538 CB 1.132 14 residues pruned to eliminate duplicates Z: 133 51.175 2.269 0.412 0.504 0.894 0.568 CB 1.549 133 residues pruned to eliminate duplicates Z: 14 29.506 2.313 0.578 0.883 1.000 0.923 CB 1.621 14 residues pruned to eliminate duplicates Z: 13 17.895 1.968 0.347 0.888 1.000 0.833 CA 1.404 13 residues pruned to eliminate duplicates Z: 171 72.922 2.329 0.552 0.565 0.935 0.629 CB 1.554 171 residues pruned to eliminate duplicates Z: 19 13.026 2.084 0.444 0.444 0.833 0.556 CB 1.297 19 residues pruned to eliminate duplicates Z: 24 28.397 2.302 0.564 0.533 0.913 0.652 CB 1.745 24 residues pruned to eliminate duplicates Z: 67 50.854 2.350 0.670 0.568 0.924 0.561 CB 1.616 67 residues pruned to eliminate duplicates Z: 17 7.028 1.814 0.066 0.402 0.812 0.500 CB 1.240 17 residues pruned to eliminate duplicates Z: 88 48.884 2.351 0.544 0.511 0.931 0.586 CB 1.534 88 residues pruned to eliminate duplicates Z: 49 36.697 2.140 0.648 0.579 0.979 0.646 CB 1.421 49 residues pruned to eliminate duplicates Z: 12 12.473 2.073 0.420 0.483 0.818 0.636 CB 1.588 12 residues pruned to eliminate duplicates Z: 23 22.107 2.273 0.362 0.579 1.000 0.727 CB 1.411 23 residues pruned to eliminate duplicates Z: 7 3.982 1.746 0.274 0.612 1.000 0.667 CB 0.657 7 residues pruned to eliminate duplicates Z: 25 29.127 2.272 0.715 0.599 0.875 0.792 CB 1.586 25 residues pruned to eliminate duplicates Z: 20 31.201 2.236 0.636 0.931 0.895 0.263 CB 1.528 20 residues pruned to eliminate duplicates Z: 16 21.607 2.157 0.562 0.902 0.933 0.533 CB 1.265 16 residues pruned to eliminate duplicates Z: 14 17.141 2.022 0.237 0.907 0.923 0.846 CB 1.463 14 residues pruned to eliminate duplicates Z: 10 9.546 1.796 0.077 0.822 1.000 0.778 CB 1.245 10 residues pruned to eliminate duplicates Z: 9 6.048 2.016 0.261 0.445 0.750 0.375 CB 1.187 9 residues pruned to eliminate duplicates Z: 6 11.194 2.106 0.358 0.667 1.000 0.600 CA 1.500 6 residues pruned to eliminate duplicates Z: 14 14.919 2.068 0.206 0.931 1.000 0.692 CB 1.159 14 residues pruned to eliminate duplicates Z: 47 30.591 2.044 0.446 0.616 0.957 0.696 CB 1.430 47 residues pruned to eliminate duplicates Z: 16 24.803 2.199 0.413 0.809 1.000 0.867 CB 1.574 16 residues pruned to eliminate duplicates Z: 55 30.313 2.031 0.595 0.549 0.944 0.611 CB 1.286 55 residues pruned to eliminate duplicates Z: 15 13.566 1.879 0.431 0.843 1.000 0.643 CB 1.004 15 residues pruned to eliminate duplicates Z: 15 13.969 2.196 0.011 0.876 0.929 0.714 CB 1.317 15 residues pruned to eliminate duplicates Z: 9 11.041 1.978 0.183 0.882 0.875 0.625 CB 1.380 9 residues pruned to eliminate duplicates Z: 6 8.826 1.909 0.274 0.773 1.000 1.000 CA 1.275 6 residues pruned to eliminate duplicates Z: 12 14.586 1.773 0.652 0.593 1.000 0.636 CB 1.373 12 residues pruned to eliminate duplicates Z: 22 13.641 1.945 0.241 0.508 0.905 0.667 CB 1.352 22 residues pruned to eliminate duplicates Z: 54 55.477 2.416 0.713 0.614 0.962 0.623 CB 1.718 54 residues pruned to eliminate duplicates Z: 14 14.011 1.895 0.206 0.867 1.000 0.769 CB 1.245 14 residues pruned to eliminate duplicates Z: 11 14.594 1.889 0.216 0.896 1.000 0.900 CB 1.440 11 residues pruned to eliminate duplicates Z: 8 15.773 1.884 0.684 0.898 0.857 0.714 CB 1.568 8 residues pruned to eliminate duplicates Z: 52 24.735 2.075 0.268 0.563 0.980 0.647 CB 1.263 54 residues pruned to eliminate duplicates Z: 11 14.442 2.072 0.563 0.454 1.000 0.600 CB 1.478 11 residues pruned to eliminate duplicates Z: 22 15.094 1.811 0.194 0.620 1.000 0.667 CB 1.360 22 residues pruned to eliminate duplicates Z: 30 20.847 1.965 0.283 0.705 0.966 0.793 CB 1.320 30 residues pruned to eliminate duplicates Z: 81 49.235 2.369 0.599 0.533 0.913 0.575 CB 1.542 81 residues pruned to eliminate duplicates Z: 6 2.200 1.243 0.226 0.299 0.800 0.600 O 1.011 Z: 60 39.743 2.229 0.636 0.517 0.949 0.559 CB 1.469 60 residues pruned to eliminate duplicates Z: 6 7.683 1.973 0.729 0.697 0.600 0.600 CA 1.403 6 residues pruned to eliminate duplicates Z: 8 15.381 1.965 0.596 0.843 1.000 0.857 CB 1.379 8 residues pruned to eliminate duplicates Z: 52 31.927 2.145 0.620 0.541 0.863 0.588 CB 1.433 52 residues pruned to eliminate duplicates Z: 19 29.906 2.008 0.726 0.928 0.944 0.444 CB 1.508 19 residues pruned to eliminate duplicates Z: 16 9.669 1.921 0.588 0.392 0.667 0.533 CB 1.377 16 residues pruned to eliminate duplicates Z: 10 8.215 1.863 0.446 0.615 0.889 0.556 CA 1.026 10 residues pruned to eliminate duplicates Z: 12 14.989 1.966 0.709 0.536 1.000 0.818 CB 1.298 12 residues pruned to eliminate duplicates Z: 6 6.096 1.877 0.108 0.820 1.000 0.600 CB 0.993 6 residues pruned to eliminate duplicates Z: 9 9.165 1.661 0.222 0.836 0.875 0.750 CB 1.366 9 residues pruned to eliminate duplicates Z: 7 14.730 2.048 0.606 0.868 0.833 0.667 CB 1.604 7 residues pruned to eliminate duplicates Z: 14 16.250 2.072 0.203 0.939 1.000 0.769 CB 1.256 14 residues pruned to eliminate duplicates Z: 13 30.120 2.308 0.967 0.856 0.917 0.333 CB 1.541 13 residues pruned to eliminate duplicates Z: 6 6.356 2.006 0.348 0.753 0.800 0.600 CB 1.049 6 residues pruned to eliminate duplicates Z: 65 43.577 2.303 0.479 0.506 0.969 0.625 CB 1.641 65 residues pruned to eliminate duplicates Z: 12 13.584 1.771 0.504 0.887 0.909 0.364 CB 1.220 12 residues pruned to eliminate duplicates Z: 11 10.325 2.156 0.342 0.472 0.900 0.600 CB 1.289 11 residues pruned to eliminate duplicates Z: 14 11.097 2.017 -0.205 0.930 1.000 0.923 CB 1.342 14 residues pruned to eliminate duplicates Z: 13 14.323 1.737 0.518 0.912 0.917 0.333 CB 1.212 13 residues pruned to eliminate duplicates Z: 14 9.967 1.626 0.217 0.805 0.923 0.692 CA 1.159 14 residues pruned to eliminate duplicates Z: 17 21.192 2.127 0.632 0.399 0.938 0.438 CB 1.812 17 residues pruned to eliminate duplicates Z: 50 31.764 2.078 0.546 0.585 0.959 0.592 CB 1.356 50 residues pruned to eliminate duplicates Z: 17 20.111 2.033 0.407 0.868 1.000 0.688 CA 1.285 17 residues pruned to eliminate duplicates Z: 10 11.780 1.910 0.209 0.833 1.000 0.889 CB 1.275 10 residues pruned to eliminate duplicates Z: 29 35.395 2.246 0.745 0.555 0.964 0.571 CB 1.678 29 residues pruned to eliminate duplicates Z: 21 38.605 2.117 0.803 0.925 0.950 0.750 CB 1.670 21 residues pruned to eliminate duplicates Z: 51 38.782 2.303 0.493 0.538 0.900 0.640 CB 1.707 51 residues pruned to eliminate duplicates Z: 83 48.256 2.306 0.561 0.588 0.915 0.512 CB 1.487 83 residues pruned to eliminate duplicates Z: 83 40.953 2.263 0.475 0.539 0.878 0.561 CB 1.485 83 residues pruned to eliminate duplicates Z: 9 8.793 1.926 0.408 0.402 0.875 0.625 CA 1.452 7 residues pruned to eliminate duplicates Z: 131 59.498 2.359 0.484 0.558 0.900 0.523 CB 1.565 131 residues pruned to eliminate duplicates Z: 56 25.650 2.025 0.296 0.554 0.945 0.673 CB 1.323 56 residues pruned to eliminate duplicates Z: 43 37.901 2.340 0.551 0.583 0.881 0.524 CB 1.689 43 residues pruned to eliminate duplicates Z: 13 8.300 2.036 0.165 0.464 0.917 0.500 CB 1.144 13 residues pruned to eliminate duplicates Z: 83 49.956 2.347 0.564 0.548 0.939 0.598 CB 1.527 83 residues pruned to eliminate duplicates Z: 14 19.036 2.108 0.706 0.545 0.923 0.385 CA 1.522 14 residues pruned to eliminate duplicates Z: 40 36.682 2.301 0.655 0.556 0.897 0.692 CB 1.628 40 residues pruned to eliminate duplicates Z: 16 15.226 1.854 0.298 0.793 1.000 0.600 CB 1.263 16 residues pruned to eliminate duplicates Z: 113 52.332 2.302 0.512 0.522 0.893 0.589 CB 1.558 113 residues pruned to eliminate duplicates Z: 19 23.247 2.004 0.436 0.836 1.000 0.889 CB 1.425 19 residues pruned to eliminate duplicates Z: 13 24.169 2.255 0.334 0.936 1.000 0.917 CB 1.615 13 residues pruned to eliminate duplicates Z: 14 19.304 2.360 0.594 0.366 0.923 0.538 CB 1.780 14 residues pruned to eliminate duplicates Z: 81 38.434 2.236 0.403 0.512 0.900 0.588 CB 1.503 81 residues pruned to eliminate duplicates Z: 34 30.772 2.280 0.644 0.496 0.909 0.606 CB 1.579 34 residues pruned to eliminate duplicates Z: 8 12.996 1.846 0.447 0.859 0.857 0.857 CA 1.578 8 residues pruned to eliminate duplicates Z: 9 13.740 2.137 0.443 0.816 1.000 0.500 CB 1.197 9 residues pruned to eliminate duplicates Z: 55 36.430 2.090 0.426 0.711 0.944 0.667 CB 1.455 55 residues pruned to eliminate duplicates Z: 23 21.151 2.107 0.494 0.596 0.909 0.409 CB 1.439 23 residues pruned to eliminate duplicates Z: 23 11.992 2.084 0.356 0.336 0.818 0.545 CB 1.323 23 residues pruned to eliminate duplicates Z: 35 19.494 1.986 0.375 0.645 0.882 0.529 CB 1.212 35 residues pruned to eliminate duplicates Z: 55 43.624 2.259 0.657 0.580 0.907 0.630 CB 1.618 55 residues pruned to eliminate duplicates Z: 30 20.308 2.090 0.400 0.475 0.931 0.586 CB 1.420 30 residues pruned to eliminate duplicates Z: 30 18.669 2.148 0.338 0.432 0.931 0.586 CB 1.390 30 residues pruned to eliminate duplicates Z: 7 2.735 1.709 0.211 0.237 0.833 0.500 CB 0.880 7 residues pruned to eliminate duplicates Z: 6 8.480 1.705 0.414 0.778 1.000 1.000 CB 1.231 6 residues pruned to eliminate duplicates Z: 26 20.951 2.196 0.574 0.470 0.920 0.640 CB 1.358 26 residues pruned to eliminate duplicates Z: 23 27.695 2.208 0.640 0.616 0.909 0.818 CB 1.606 23 residues pruned to eliminate duplicates Z: 82 47.695 2.225 0.643 0.502 0.951 0.519 CB 1.521 82 residues pruned to eliminate duplicates Z: 13 16.236 1.803 0.513 0.900 0.917 0.583 CB 1.339 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 15.340 1.866 0.508 0.847 1.000 0.889 CB 1.349 10 residues pruned to eliminate duplicates Z: 25 13.800 1.970 0.228 0.385 0.875 0.625 CB 1.503 25 residues pruned to eliminate duplicates Z: 24 14.888 2.054 0.148 0.424 0.913 0.565 CB 1.561 24 residues pruned to eliminate duplicates Z: 27 14.773 1.979 0.250 0.376 0.846 0.500 CB 1.580 27 residues pruned to eliminate duplicates Z: 40 18.761 1.943 0.283 0.535 0.872 0.641 CB 1.336 42 residues pruned to eliminate duplicates Z: 9 13.998 1.951 0.444 0.848 0.875 0.750 CB 1.490 9 residues pruned to eliminate duplicates Z: 27 14.313 1.978 0.142 0.386 0.885 0.615 CB 1.586 27 residues pruned to eliminate duplicates Z: 25 16.138 2.030 0.244 0.448 0.875 0.583 CB 1.573 25 residues pruned to eliminate duplicates Z: 7 6.443 1.699 0.293 0.570 1.000 0.667 CB 1.119 7 residues pruned to eliminate duplicates Z: 25 17.278 1.997 0.309 0.424 0.958 0.667 CB 1.523 25 residues pruned to eliminate duplicates Z: 23 10.603 2.026 0.121 0.411 0.727 0.591 CB 1.503 23 residues pruned to eliminate duplicates Z: 25 13.348 2.010 0.227 0.363 0.833 0.417 CB 1.537 25 residues pruned to eliminate duplicates Z: 25 12.467 2.037 0.224 0.373 0.792 0.500 CB 1.477 25 residues pruned to eliminate duplicates Z: 24 15.365 2.017 0.327 0.390 0.870 0.565 CB 1.547 24 residues pruned to eliminate duplicates Z: 27 15.075 2.006 0.301 0.377 0.808 0.577 CB 1.600 27 residues pruned to eliminate duplicates Z: 39 14.304 1.804 0.314 0.428 0.816 0.605 CB 1.293 39 residues pruned to eliminate duplicates Z: 40 17.877 1.940 0.312 0.456 0.795 0.615 CB 1.479 40 residues pruned to eliminate duplicates Z: 63 20.915 1.936 0.322 0.393 0.887 0.565 CB 1.311 64 residues pruned to eliminate duplicates Z: 12 10.052 1.685 0.287 0.584 0.909 0.545 CB 1.419 12 residues pruned to eliminate duplicates Z: 14 13.970 1.859 0.341 0.734 0.923 0.692 CB 1.364 14 residues pruned to eliminate duplicates Z: 11 7.941 1.839 0.473 0.428 0.700 0.600 CB 1.428 11 residues pruned to eliminate duplicates Z: 10 9.306 1.718 0.366 0.612 0.889 0.667 CA 1.337 10 residues pruned to eliminate duplicates Z: 14 7.389 1.768 0.212 0.557 0.846 0.462 CB 1.069 14 residues pruned to eliminate duplicates Z: 35 21.809 1.994 0.452 0.575 0.971 0.618 CB 1.239 35 residues pruned to eliminate duplicates Z: 13 8.020 1.744 -0.052 0.776 0.833 0.833 CA 1.316 13 residues pruned to eliminate duplicates Z: 14 13.603 1.773 0.418 0.803 0.923 0.615 CB 1.248 14 residues pruned to eliminate duplicates Z: 11 13.387 1.721 0.620 0.762 1.000 0.800 CB 1.203 11 residues pruned to eliminate duplicates Z: 12 13.170 1.672 0.589 0.791 0.909 0.636 CB 1.274 12 residues pruned to eliminate duplicates Z: 12 12.106 1.732 0.489 0.807 0.909 0.727 CB 1.192 12 residues pruned to eliminate duplicates Z: 40 15.718 1.872 0.225 0.477 0.821 0.590 CB 1.370 40 residues pruned to eliminate duplicates Z: 96 49.798 2.333 0.484 0.538 0.884 0.568 CB 1.607 96 residues pruned to eliminate duplicates Z: 24 15.520 2.070 0.363 0.564 0.783 0.652 CB 1.378 24 residues pruned to eliminate duplicates Z: 12 16.434 2.123 0.594 0.627 0.818 0.727 CB 1.589 12 residues pruned to eliminate duplicates Z: 10 22.817 2.308 0.711 0.789 0.889 0.889 CA 1.682 10 residues pruned to eliminate duplicates Z: 25 19.488 2.009 0.455 0.537 0.833 0.625 CB 1.575 25 residues pruned to eliminate duplicates Z: 129 60.747 2.334 0.513 0.563 0.898 0.594 CB 1.592 129 residues pruned to eliminate duplicates Z: 14 14.425 2.225 0.478 0.415 0.846 0.462 CA 1.571 14 residues pruned to eliminate duplicates Z: 13 10.816 2.069 0.298 0.526 0.833 0.667 CA 1.359 13 residues pruned to eliminate duplicates Z: 11 12.681 2.162 0.444 0.579 0.800 0.600 CA 1.489 11 residues pruned to eliminate duplicates Z: 12 11.844 2.056 0.365 0.603 0.727 0.636 CA 1.586 11 residues pruned to eliminate duplicates Z: 6 4.170 1.616 0.302 0.397 0.800 0.200 CA 1.236 6 residues pruned to eliminate duplicates Z: 70 51.891 2.311 0.617 0.578 0.913 0.652 CB 1.698 70 residues pruned to eliminate duplicates Z: 17 32.165 2.350 0.634 0.749 1.000 0.812 CB 1.676 17 residues pruned to eliminate duplicates Z: 33 29.902 2.261 0.639 0.510 0.938 0.594 CB 1.506 33 residues pruned to eliminate duplicates Z: 97 50.808 2.322 0.523 0.504 0.927 0.573 CB 1.576 97 residues pruned to eliminate duplicates Z: 55 54.161 2.420 0.708 0.619 0.944 0.611 CB 1.688 55 residues pruned to eliminate duplicates Z: 97 48.208 2.321 0.417 0.510 0.927 0.573 CB 1.598 97 residues pruned to eliminate duplicates Z: 67 45.839 2.339 0.562 0.576 0.879 0.621 CB 1.633 67 residues pruned to eliminate duplicates Z: 141 60.921 2.312 0.511 0.544 0.886 0.621 CB 1.594 141 residues pruned to eliminate duplicates Z: 68 45.049 2.297 0.653 0.547 0.896 0.627 CB 1.547 68 residues pruned to eliminate duplicates Z: 128 62.811 2.348 0.588 0.541 0.882 0.551 CB 1.627 128 residues pruned to eliminate duplicates Z: 63 55.431 2.389 0.585 0.609 0.984 0.613 CB 1.703 64 residues pruned to eliminate duplicates Z: 14 35.345 2.411 0.758 0.909 1.000 0.385 CB 1.641 14 residues pruned to eliminate duplicates Z: 50 48.655 2.372 0.667 0.569 0.939 0.551 CB 1.752 50 residues pruned to eliminate duplicates Z: 94 52.578 2.343 0.512 0.515 0.935 0.559 CB 1.621 94 residues pruned to eliminate duplicates Z: 65 51.327 2.402 0.615 0.592 0.938 0.547 CB 1.616 65 residues pruned to eliminate duplicates Z: 24 27.222 2.318 0.719 0.489 0.913 0.565 CB 1.578 24 residues pruned to eliminate duplicates Z: 32 32.568 2.228 0.640 0.576 0.935 0.677 CB 1.590 32 residues pruned to eliminate duplicates Z: 59 56.627 2.352 0.737 0.617 1.000 0.690 CB 1.629 59 residues pruned to eliminate duplicates Z: 8 3.778 1.439 0.409 0.270 0.857 0.143 CA 1.066 8 residues pruned to eliminate duplicates Z: 51 48.377 2.351 0.693 0.593 0.920 0.560 CB 1.709 51 residues pruned to eliminate duplicates Z: 94 50.051 2.325 0.541 0.521 0.892 0.591 CB 1.589 94 residues pruned to eliminate duplicates Z: 57 55.940 2.404 0.655 0.614 0.964 0.625 CB 1.749 57 residues pruned to eliminate duplicates Z: 48 50.022 2.393 0.744 0.585 0.957 0.638 CB 1.682 48 residues pruned to eliminate duplicates Z: 83 54.598 2.320 0.576 0.543 0.963 0.512 CB 1.641 83 residues pruned to eliminate duplicates Z: 50 49.627 2.435 0.634 0.592 0.980 0.531 CB 1.665 50 residues pruned to eliminate duplicates Z: 94 53.012 2.350 0.598 0.523 0.903 0.581 CB 1.583 94 residues pruned to eliminate duplicates Z: 183 62.834 2.305 0.475 0.539 0.868 0.604 CB 1.518 183 residues pruned to eliminate duplicates Z: 68 42.464 2.330 0.570 0.492 0.925 0.522 CB 1.544 68 residues pruned to eliminate duplicates Z: 184 65.118 2.298 0.476 0.520 0.896 0.557 CB 1.552 184 residues pruned to eliminate duplicates Z: 26 31.644 2.344 0.539 0.596 0.960 0.600 CB 1.668 26 residues pruned to eliminate duplicates Z: 44 47.484 2.415 0.728 0.610 0.930 0.698 CB 1.681 44 residues pruned to eliminate duplicates Z: 41 49.276 2.424 0.714 0.625 0.975 0.600 CB 1.710 41 residues pruned to eliminate duplicates Z: 59 47.370 2.390 0.665 0.576 0.914 0.552 CB 1.589 59 residues pruned to eliminate duplicates Z: 186 67.641 2.301 0.470 0.528 0.914 0.578 CB 1.565 186 residues pruned to eliminate duplicates Z: 133 64.856 2.338 0.573 0.547 0.902 0.530 CB 1.627 133 residues pruned to eliminate duplicates Z: 65 50.982 2.406 0.702 0.529 0.922 0.531 CB 1.640 65 residues pruned to eliminate duplicates Z: 56 53.732 2.379 0.713 0.568 0.964 0.564 CB 1.728 56 residues pruned to eliminate duplicates Z: 59 48.032 2.378 0.594 0.544 0.948 0.569 CB 1.680 59 residues pruned to eliminate duplicates Z: 64 45.510 2.375 0.552 0.550 0.921 0.540 CB 1.610 64 residues pruned to eliminate duplicates Z: 85 51.031 2.361 0.572 0.529 0.929 0.583 CB 1.570 85 residues pruned to eliminate duplicates Z: 177 64.724 2.309 0.474 0.524 0.909 0.557 CB 1.539 177 residues pruned to eliminate duplicates Z: 93 49.033 2.358 0.571 0.524 0.859 0.630 CB 1.568 93 residues pruned to eliminate duplicates Z: 56 52.065 2.458 0.663 0.572 0.964 0.636 CB 1.662 56 residues pruned to eliminate duplicates Z: 54 53.929 2.403 0.726 0.606 0.962 0.679 CB 1.678 54 residues pruned to eliminate duplicates Z: 123 61.319 2.331 0.526 0.564 0.926 0.549 CB 1.584 123 residues pruned to eliminate duplicates Z: 43 23.080 2.172 0.511 0.453 0.833 0.595 CB 1.367 43 residues pruned to eliminate duplicates Z: 12 22.931 2.423 0.781 0.583 0.909 0.727 CB 1.627 12 residues pruned to eliminate duplicates Z: 18 18.676 2.320 0.586 0.478 0.941 0.588 CB 1.338 18 residues pruned to eliminate duplicates Z: 42 21.703 2.239 0.349 0.407 0.878 0.585 CB 1.409 42 residues pruned to eliminate duplicates Z: 64 53.835 2.396 0.522 0.610 0.984 0.667 CB 1.702 64 residues pruned to eliminate duplicates Z: 32 13.373 2.187 0.295 0.437 0.806 0.581 CB 1.122 32 residues pruned to eliminate duplicates Z: 71 44.401 2.340 0.547 0.547 0.943 0.586 CB 1.485 71 residues pruned to eliminate duplicates Z: 70 32.976 2.268 0.388 0.455 0.884 0.507 CB 1.493 70 residues pruned to eliminate duplicates Z: 36 17.568 2.269 0.363 0.414 0.800 0.657 CB 1.313 36 residues pruned to eliminate duplicates Z: 66 34.812 2.250 0.373 0.542 0.892 0.585 CB 1.503 66 residues pruned to eliminate duplicates Z: 47 19.877 2.181 0.277 0.418 0.870 0.435 CB 1.317 47 residues pruned to eliminate duplicates Z: 129 47.869 2.286 0.346 0.507 0.891 0.562 CB 1.534 129 residues pruned to eliminate duplicates Z: 22 17.211 2.342 0.481 0.353 0.905 0.476 CB 1.403 22 residues pruned to eliminate duplicates Z: 118 44.916 2.233 0.347 0.507 0.906 0.530 CB 1.514 118 residues pruned to eliminate duplicates Z: 24 10.032 2.008 0.260 0.337 0.783 0.565 CB 1.262 24 residues pruned to eliminate duplicates Z: 86 47.378 2.364 0.489 0.516 0.906 0.565 CB 1.587 86 residues pruned to eliminate duplicates Z: 74 37.113 2.299 0.435 0.512 0.863 0.507 CB 1.507 74 residues pruned to eliminate duplicates Z: 90 45.592 2.333 0.451 0.497 0.910 0.562 CB 1.574 90 residues pruned to eliminate duplicates Z: 92 49.591 2.350 0.517 0.518 0.901 0.582 CB 1.589 92 residues pruned to eliminate duplicates Z: 115 44.827 2.273 0.382 0.512 0.868 0.553 CB 1.522 115 residues pruned to eliminate duplicates Z: 127 60.307 2.326 0.505 0.550 0.921 0.635 CB 1.587 127 residues pruned to eliminate duplicates Z: 20 11.306 2.198 0.295 0.404 0.842 0.526 CB 1.197 20 residues pruned to eliminate duplicates Z: 97 40.605 2.242 0.376 0.516 0.885 0.573 CB 1.493 97 residues pruned to eliminate duplicates Z: 172 70.828 2.331 0.514 0.536 0.930 0.614 CB 1.593 188 residues pruned to eliminate duplicates Z: 9 9.158 1.943 0.269 0.450 1.000 0.500 CB 1.383 9 residues pruned to eliminate duplicates Z: 32 12.558 2.181 0.295 0.360 0.710 0.387 CB 1.309 32 residues pruned to eliminate duplicates Z: 88 48.900 2.343 0.584 0.488 0.897 0.517 CB 1.594 88 residues pruned to eliminate duplicates Z: 35 18.941 2.291 0.393 0.371 0.853 0.529 CB 1.370 35 residues pruned to eliminate duplicates Z: 76 38.375 2.298 0.452 0.507 0.880 0.493 CB 1.499 76 residues pruned to eliminate duplicates Z: 47 24.211 2.315 0.367 0.395 0.848 0.435 CB 1.486 47 residues pruned to eliminate duplicates Z: 69 39.212 2.265 0.497 0.518 0.897 0.515 CB 1.535 69 residues pruned to eliminate duplicates Z: 32 15.759 2.159 0.180 0.393 0.871 0.516 CB 1.429 32 residues pruned to eliminate duplicates Z: 8 9.836 2.152 0.048 0.552 0.857 0.286 N 1.829 8 residues pruned to eliminate duplicates Z: 32 16.980 2.196 0.346 0.428 0.806 0.452 CB 1.379 32 residues pruned to eliminate duplicates Z: 128 57.260 2.323 0.527 0.551 0.882 0.535 CB 1.545 128 residues pruned to eliminate duplicates Z: 35 18.332 2.244 0.335 0.388 0.824 0.412 CB 1.436 35 residues pruned to eliminate duplicates Z: 124 55.363 2.317 0.531 0.535 0.886 0.512 CB 1.534 124 residues pruned to eliminate duplicates Z: 119 58.574 2.341 0.554 0.550 0.881 0.568 CB 1.602 119 residues pruned to eliminate duplicates Z: 120 48.897 2.273 0.442 0.498 0.899 0.538 CB 1.524 120 residues pruned to eliminate duplicates Z: 37 37.812 2.295 0.619 0.664 0.917 0.583 CB 1.589 37 residues pruned to eliminate duplicates Z: 38 36.082 2.316 0.555 0.683 0.892 0.595 CB 1.561 38 residues pruned to eliminate duplicates Z: 181 67.342 2.325 0.476 0.519 0.900 0.567 CB 1.594 181 residues pruned to eliminate duplicates Z: 111 46.592 2.291 0.402 0.506 0.900 0.509 CB 1.527 111 residues pruned to eliminate duplicates Z: 51 35.135 2.309 0.500 0.576 0.840 0.500 CB 1.588 51 residues pruned to eliminate duplicates Z: 131 48.827 2.272 0.415 0.501 0.892 0.577 CB 1.491 131 residues pruned to eliminate duplicates Z: 36 34.199 2.285 0.571 0.663 0.886 0.600 CB 1.564 36 residues pruned to eliminate duplicates Z: 132 52.697 2.295 0.436 0.509 0.901 0.534 CB 1.537 132 residues pruned to eliminate duplicates Z: 159 59.458 2.302 0.446 0.515 0.899 0.557 CB 1.558 159 residues pruned to eliminate duplicates Z: 133 51.488 2.287 0.437 0.498 0.894 0.530 CB 1.529 133 residues pruned to eliminate duplicates Z: 92 45.323 2.288 0.442 0.544 0.879 0.549 CB 1.569 92 residues pruned to eliminate duplicates Z: 85 43.662 2.250 0.447 0.541 0.929 0.548 CB 1.513 84 residues pruned to eliminate duplicates Z: 20 37.902 2.273 0.929 0.940 0.895 0.316 CB 1.539 20 residues pruned to eliminate duplicates Z: 107 44.800 2.240 0.402 0.511 0.868 0.509 CB 1.579 107 residues pruned to eliminate duplicates Z: 131 49.657 2.290 0.427 0.511 0.869 0.531 CB 1.516 131 residues pruned to eliminate duplicates Z: 51 39.459 2.298 0.494 0.666 0.920 0.460 CB 1.515 51 residues pruned to eliminate duplicates Z: 65 43.376 2.344 0.379 0.627 0.906 0.547 CB 1.643 65 residues pruned to eliminate duplicates Z: 186 68.598 2.313 0.491 0.543 0.892 0.605 CB 1.572 186 residues pruned to eliminate duplicates Z: 94 47.494 2.272 0.455 0.530 0.925 0.538 CB 1.564 94 residues pruned to eliminate duplicates Z: 18 29.829 2.215 0.840 0.869 0.765 0.412 CB 1.695 18 residues pruned to eliminate duplicates Z: 35 36.026 2.368 0.465 0.690 0.912 0.382 CB 1.642 35 residues pruned to eliminate duplicates Z: 81 40.333 2.289 0.398 0.513 0.887 0.500 CB 1.568 81 residues pruned to eliminate duplicates Z: 109 46.396 2.221 0.418 0.541 0.907 0.565 CB 1.500 94 residues pruned to eliminate duplicates Z: 6 7.375 1.999 0.366 0.410 1.000 0.600 CB 1.326 6 residues pruned to eliminate duplicates Z: 78 37.098 2.252 0.376 0.496 0.909 0.545 CB 1.506 78 residues pruned to eliminate duplicates Z: 85 44.155 2.299 0.368 0.583 0.905 0.512 CB 1.564 85 residues pruned to eliminate duplicates Z: 92 43.463 2.271 0.413 0.570 0.857 0.582 CB 1.547 92 residues pruned to eliminate duplicates Z: 68 31.681 2.241 0.388 0.459 0.881 0.552 CB 1.474 68 residues pruned to eliminate duplicates Z: 19 20.280 2.259 0.334 0.616 0.889 0.500 CB 1.599 19 residues pruned to eliminate duplicates Z: 131 48.707 2.277 0.444 0.495 0.862 0.492 CB 1.515 131 residues pruned to eliminate duplicates Z: 182 65.329 2.291 0.541 0.521 0.895 0.536 CB 1.505 182 residues pruned to eliminate duplicates Z: 65 45.330 2.317 0.443 0.630 0.922 0.578 CB 1.627 65 residues pruned to eliminate duplicates Z: 123 46.979 2.250 0.427 0.519 0.869 0.525 CB 1.495 123 residues pruned to eliminate duplicates Z: 91 42.145 2.266 0.454 0.570 0.856 0.522 CB 1.472 91 residues pruned to eliminate duplicates Z: 95 43.974 2.246 0.435 0.535 0.883 0.489 CB 1.540 95 residues pruned to eliminate duplicates Z: 35 41.813 2.356 0.851 0.641 0.912 0.471 CB 1.581 35 residues pruned to eliminate duplicates Z: 125 46.188 2.198 0.461 0.494 0.903 0.500 CB 1.439 125 residues pruned to eliminate duplicates Z: 59 29.240 2.237 0.350 0.451 0.879 0.586 CB 1.520 59 residues pruned to eliminate duplicates Z: 116 52.126 2.310 0.481 0.555 0.887 0.548 CB 1.518 116 residues pruned to eliminate duplicates Z: 52 29.018 2.195 0.450 0.498 0.902 0.569 CB 1.418 52 residues pruned to eliminate duplicates Z: 94 43.906 2.231 0.450 0.546 0.914 0.441 CB 1.471 94 residues pruned to eliminate duplicates Z: 94 47.387 2.275 0.482 0.562 0.892 0.495 CB 1.537 94 residues pruned to eliminate duplicates Z: 61 30.846 2.212 0.405 0.487 0.883 0.533 CB 1.468 61 residues pruned to eliminate duplicates Z: 65 33.140 2.235 0.396 0.500 0.906 0.578 CB 1.464 65 residues pruned to eliminate duplicates Z: 93 43.085 2.229 0.420 0.550 0.913 0.533 CB 1.481 93 residues pruned to eliminate duplicates Z: 71 34.241 2.128 0.399 0.523 0.929 0.643 CB 1.447 70 residues pruned to eliminate duplicates Z: 17 23.554 2.191 0.618 0.833 0.938 0.625 CB 1.329 17 residues pruned to eliminate duplicates Z: 130 50.816 2.297 0.470 0.520 0.876 0.519 CB 1.483 130 residues pruned to eliminate duplicates Z: 94 48.428 2.266 0.520 0.546 0.914 0.516 CB 1.525 94 residues pruned to eliminate duplicates Z: 90 43.079 2.239 0.511 0.530 0.876 0.539 CB 1.496 90 residues pruned to eliminate duplicates Z: 39 24.807 2.164 0.459 0.482 0.868 0.500 CB 1.494 39 residues pruned to eliminate duplicates Z: 130 50.601 2.285 0.460 0.518 0.876 0.527 CB 1.498 130 residues pruned to eliminate duplicates Z: 80 44.759 2.335 0.532 0.576 0.823 0.506 CB 1.590 80 residues pruned to eliminate duplicates Z: 179 70.413 2.297 0.610 0.527 0.910 0.567 CB 1.527 179 residues pruned to eliminate duplicates Z: 94 43.006 2.250 0.511 0.548 0.860 0.484 CB 1.455 94 residues pruned to eliminate duplicates Z: 119 53.331 2.281 0.513 0.522 0.915 0.508 CB 1.520 119 residues pruned to eliminate duplicates Z: 118 47.430 2.268 0.492 0.502 0.863 0.470 CB 1.499 118 residues pruned to eliminate duplicates Z: 94 47.338 2.263 0.496 0.559 0.914 0.452 CB 1.498 94 residues pruned to eliminate duplicates Z: 90 49.500 2.310 0.477 0.568 0.944 0.562 CB 1.525 90 residues pruned to eliminate duplicates Z: 91 51.270 2.292 0.546 0.574 0.911 0.533 CB 1.559 91 residues pruned to eliminate duplicates Z: 58 36.456 2.209 0.573 0.496 0.947 0.561 CB 1.472 58 residues pruned to eliminate duplicates Z: 65 34.315 2.207 0.466 0.492 0.938 0.547 CB 1.426 65 residues pruned to eliminate duplicates Z: 77 42.870 2.280 0.507 0.508 0.908 0.592 CB 1.563 77 residues pruned to eliminate duplicates Z: 109 46.024 2.248 0.428 0.507 0.898 0.463 CB 1.526 109 residues pruned to eliminate duplicates Z: 119 48.785 2.246 0.485 0.516 0.890 0.559 CB 1.489 119 residues pruned to eliminate duplicates Z: 91 49.564 2.285 0.554 0.539 0.911 0.533 CB 1.554 91 residues pruned to eliminate duplicates Z: 175 70.768 2.324 0.586 0.527 0.908 0.523 CB 1.561 175 residues pruned to eliminate duplicates Z: 158 62.106 2.310 0.486 0.527 0.911 0.503 CB 1.544 158 residues pruned to eliminate duplicates Z: 178 68.586 2.307 0.559 0.516 0.893 0.520 CB 1.580 178 residues pruned to eliminate duplicates Z: 92 50.159 2.303 0.550 0.566 0.901 0.604 CB 1.534 92 residues pruned to eliminate duplicates Z: 94 50.770 2.267 0.586 0.567 0.892 0.527 CB 1.538 94 residues pruned to eliminate duplicates Z: 107 48.934 2.265 0.550 0.515 0.849 0.472 CB 1.572 107 residues pruned to eliminate duplicates Z: 116 51.369 2.289 0.502 0.526 0.913 0.478 CB 1.487 116 residues pruned to eliminate duplicates Z: 80 46.844 2.263 0.558 0.545 0.937 0.633 CB 1.528 80 residues pruned to eliminate duplicates Z: 72 33.034 2.097 0.435 0.538 0.915 0.563 CB 1.371 72 residues pruned to eliminate duplicates Z: 6 9.349 1.910 0.678 0.370 1.000 0.400 CA 1.499 6 residues pruned to eliminate duplicates Z: 70 37.072 2.157 0.476 0.528 0.942 0.667 CB 1.448 72 residues pruned to eliminate duplicates Z: 17 15.521 1.876 0.327 0.717 1.000 0.750 CB 1.281 16 residues pruned to eliminate duplicates Z: 12 13.409 1.867 0.226 0.819 1.000 0.818 CB 1.339 12 residues pruned to eliminate duplicates Z: 22 13.310 1.909 0.225 0.606 0.810 0.571 CB 1.387 22 residues pruned to eliminate duplicates Z: 199 77.052 2.290 0.607 0.557 0.919 0.601 CB 1.531 200 residues pruned to eliminate duplicates Z: 13 16.712 1.909 0.494 0.873 1.000 0.667 CB 1.232 13 residues pruned to eliminate duplicates Z: 11 15.844 1.792 0.659 0.893 1.000 0.400 CA 1.210 11 residues pruned to eliminate duplicates Z: 110 52.885 2.222 0.538 0.591 0.908 0.523 CB 1.496 110 residues pruned to eliminate duplicates Z: 23 14.160 1.812 0.424 0.558 0.909 0.318 CB 1.217 23 residues pruned to eliminate duplicates Z: 109 51.019 2.244 0.551 0.573 0.889 0.509 CB 1.480 109 residues pruned to eliminate duplicates Z: 17 14.796 1.949 0.333 0.715 0.938 0.500 CB 1.250 17 residues pruned to eliminate duplicates Z: 15 16.803 1.799 0.529 0.832 1.000 0.500 CB 1.226 15 residues pruned to eliminate duplicates Z: 15 14.192 1.881 0.550 0.764 0.857 0.500 CB 1.201 15 residues pruned to eliminate duplicates Z: 15 19.087 1.769 0.802 0.919 1.000 0.429 CB 1.127 14 residues pruned to eliminate duplicates Z: 6 3.328 1.528 0.419 0.354 1.000 0.800 CA 0.804 6 residues pruned to eliminate duplicates Z: 21 24.168 2.143 0.607 0.506 0.950 0.600 CB 1.642 21 residues pruned to eliminate duplicates Z: 24 21.095 2.102 0.448 0.445 0.957 0.609 CB 1.598 24 residues pruned to eliminate duplicates Z: 6 3.921 2.280 -0.005 0.100 1.000 0.200 CA 1.289 6 residues pruned to eliminate duplicates Z: 23 23.053 2.166 0.556 0.457 0.955 0.500 CB 1.597 23 residues pruned to eliminate duplicates Z: 20 26.509 2.252 0.611 0.520 1.000 0.632 CB 1.643 20 residues pruned to eliminate duplicates Z: 23 20.731 2.151 0.638 0.439 0.864 0.636 CB 1.548 23 residues pruned to eliminate duplicates Z: 21 24.805 2.147 0.829 0.476 0.900 0.500 CB 1.608 20 residues pruned to eliminate duplicates Z: 9 13.864 1.783 0.691 0.777 0.875 0.500 N 1.454 9 residues pruned to eliminate duplicates Z: 21 22.581 2.125 0.760 0.445 0.900 0.400 CB 1.587 21 residues pruned to eliminate duplicates Z: 21 26.348 2.219 0.791 0.514 0.950 0.500 CB 1.539 23 residues pruned to eliminate duplicates Z: 8 20.799 1.929 0.893 0.824 1.000 0.429 CB 1.626 8 residues pruned to eliminate duplicates Z: 59 38.053 2.145 0.563 0.590 0.931 0.586 CB 1.469 59 residues pruned to eliminate duplicates Z: 169 62.741 2.213 0.576 0.537 0.911 0.500 CB 1.470 193 residues pruned to eliminate duplicates Z: 9 10.961 1.919 0.960 0.644 0.750 0.250 CB 1.201 9 residues pruned to eliminate duplicates Z: 58 36.909 2.132 0.576 0.576 0.930 0.649 CB 1.454 58 residues pruned to eliminate duplicates Z: 60 39.529 2.103 0.684 0.575 0.949 0.492 CB 1.424 60 residues pruned to eliminate duplicates Z: 59 39.642 2.148 0.660 0.557 0.948 0.552 CB 1.456 59 residues pruned to eliminate duplicates Z: 12 21.095 2.166 0.550 0.848 1.000 0.818 CB 1.406 12 residues pruned to eliminate duplicates Z: 36 30.523 2.131 0.674 0.676 0.914 0.686 CB 1.345 36 residues pruned to eliminate duplicates Z: 37 32.873 2.121 0.651 0.678 0.917 0.611 CB 1.450 37 residues pruned to eliminate duplicates Z: 36 30.313 2.139 0.455 0.672 0.971 0.543 CB 1.446 36 residues pruned to eliminate duplicates Z: 36 32.491 2.136 0.672 0.693 0.943 0.714 CB 1.367 36 residues pruned to eliminate duplicates Z: 36 31.804 2.148 0.608 0.669 0.943 0.714 CB 1.411 36 residues pruned to eliminate duplicates Z: 34 36.162 2.184 0.689 0.693 0.970 0.636 CB 1.476 34 residues pruned to eliminate duplicates Z: 36 31.297 2.129 0.705 0.676 0.886 0.600 CB 1.400 36 residues pruned to eliminate duplicates Z: 12 20.930 2.130 0.544 0.848 1.000 0.818 CB 1.424 12 residues pruned to eliminate duplicates Z: 37 30.908 2.104 0.649 0.667 0.917 0.556 CB 1.388 37 residues pruned to eliminate duplicates Z: 36 33.675 2.160 0.688 0.686 0.914 0.543 CB 1.441 36 residues pruned to eliminate duplicates Z: 51 37.096 2.076 0.702 0.572 0.960 0.620 CB 1.442 51 residues pruned to eliminate duplicates Z: 35 36.642 2.168 0.742 0.684 0.971 0.647 CB 1.448 35 residues pruned to eliminate duplicates Z: 36 34.213 2.148 0.704 0.675 0.943 0.543 CB 1.427 36 residues pruned to eliminate duplicates Z: 36 37.111 2.130 0.736 0.689 1.000 0.629 CB 1.426 36 residues pruned to eliminate duplicates Z: 12 23.869 1.971 0.799 0.893 1.000 0.727 CB 1.456 12 residues pruned to eliminate duplicates Z: 36 33.928 2.129 0.736 0.683 1.000 0.514 CB 1.312 36 residues pruned to eliminate duplicates Z: 36 32.632 2.146 0.635 0.689 0.943 0.571 CB 1.403 36 residues pruned to eliminate duplicates Z: 36 28.727 2.107 0.642 0.661 0.943 0.657 CB 1.282 36 residues pruned to eliminate duplicates Z: 12 23.243 1.967 0.754 0.869 1.000 0.909 CB 1.484 12 residues pruned to eliminate duplicates Z: 35 29.131 2.146 0.567 0.667 0.912 0.588 CB 1.396 35 residues pruned to eliminate duplicates Z: 59 36.736 2.090 0.629 0.597 0.931 0.638 CB 1.388 59 residues pruned to eliminate duplicates Z: 61 35.088 2.078 0.617 0.558 0.933 0.617 CB 1.366 61 residues pruned to eliminate duplicates Z: 36 31.208 2.109 0.723 0.669 0.943 0.629 CB 1.317 36 residues pruned to eliminate duplicates Z: 47 32.111 2.114 0.586 0.629 0.913 0.630 CB 1.370 47 residues pruned to eliminate duplicates Z: 37 33.571 2.111 0.597 0.649 1.000 0.583 CB 1.444 37 residues pruned to eliminate duplicates Z: 36 32.346 2.119 0.668 0.656 0.914 0.686 CB 1.464 36 residues pruned to eliminate duplicates Z: 36 31.438 2.122 0.606 0.686 0.943 0.743 CB 1.394 36 residues pruned to eliminate duplicates Z: 35 33.403 2.174 0.681 0.645 0.941 0.559 CB 1.455 35 residues pruned to eliminate duplicates Z: 34 33.982 2.171 0.703 0.666 0.939 0.667 CB 1.461 34 residues pruned to eliminate duplicates Z: 34 32.966 2.153 0.635 0.661 0.970 0.636 CB 1.448 34 residues pruned to eliminate duplicates Z: 35 34.503 2.167 0.606 0.683 0.971 0.588 CB 1.481 35 residues pruned to eliminate duplicates Z: 58 39.456 2.150 0.635 0.578 0.965 0.702 CB 1.428 58 residues pruned to eliminate duplicates Z: 17 11.379 2.169 0.497 0.331 0.875 0.312 CB 1.204 17 residues pruned to eliminate duplicates Z: 20 15.818 2.144 0.300 0.465 1.000 0.632 CB 1.350 20 residues pruned to eliminate duplicates Z: 57 27.832 2.086 0.327 0.571 0.911 0.571 CB 1.377 57 residues pruned to eliminate duplicates Z: 19 14.482 2.193 0.183 0.487 1.000 0.611 CB 1.333 19 residues pruned to eliminate duplicates Z: 12 10.006 2.183 0.238 0.366 1.000 0.364 CB 1.289 12 residues pruned to eliminate duplicates Z: 18 16.023 2.250 0.412 0.439 0.882 0.529 CB 1.476 18 residues pruned to eliminate duplicates Z: 22 13.882 2.176 0.321 0.416 0.905 0.524 CB 1.272 22 residues pruned to eliminate duplicates Z: 12 10.359 2.272 0.311 0.394 0.909 0.455 CB 1.291 12 residues pruned to eliminate duplicates Z: 21 13.236 2.137 0.370 0.421 0.800 0.400 CB 1.373 21 residues pruned to eliminate duplicates Z: 20 16.394 2.208 0.363 0.481 0.947 0.632 CB 1.345 20 residues pruned to eliminate duplicates Z: 22 15.101 2.119 0.441 0.454 0.857 0.524 CB 1.320 22 residues pruned to eliminate duplicates Z: 25 15.551 2.118 0.329 0.428 0.958 0.625 CB 1.269 25 residues pruned to eliminate duplicates Z: 20 17.703 2.239 0.451 0.480 0.947 0.526 CB 1.347 20 residues pruned to eliminate duplicates Z: 11 18.518 2.026 0.879 0.537 0.900 0.600 CB 1.647 11 residues pruned to eliminate duplicates Z: 18 15.174 2.227 0.306 0.489 1.000 0.588 CB 1.279 18 residues pruned to eliminate duplicates Z: 55 23.579 2.116 0.267 0.558 0.833 0.556 CB 1.358 55 residues pruned to eliminate duplicates Z: 26 11.697 2.073 0.159 0.345 0.880 0.400 CB 1.309 26 residues pruned to eliminate duplicates Z: 16 11.010 1.953 0.387 0.438 1.000 0.533 CB 1.118 16 residues pruned to eliminate duplicates Z: 44 24.845 2.038 0.456 0.578 0.884 0.512 CB 1.341 44 residues pruned to eliminate duplicates Z: 13 11.046 2.116 0.345 0.491 0.917 0.500 CB 1.234 13 residues pruned to eliminate duplicates Z: 24 16.305 2.137 0.476 0.403 0.957 0.478 CB 1.247 24 residues pruned to eliminate duplicates Z: 7 3.865 1.922 0.412 0.181 0.833 0.667 CB 1.024 7 residues pruned to eliminate duplicates Z: 58 28.390 2.130 0.384 0.574 0.895 0.596 CB 1.328 58 residues pruned to eliminate duplicates Z: 6 8.353 2.173 0.269 0.623 0.800 0.400 CB 1.508 6 residues pruned to eliminate duplicates Z: 50 28.370 2.072 0.299 0.624 0.959 0.633 CB 1.397 50 residues pruned to eliminate duplicates Z: 36 23.940 2.021 0.419 0.589 0.943 0.514 CB 1.374 36 residues pruned to eliminate duplicates Z: 14 10.704 1.976 0.195 0.843 0.846 0.615 CB 1.107 14 residues pruned to eliminate duplicates Z: 35 26.757 2.090 0.398 0.710 0.912 0.735 CB 1.423 35 residues pruned to eliminate duplicates Z: 34 22.165 2.068 0.364 0.618 0.909 0.576 CB 1.346 34 residues pruned to eliminate duplicates Z: 36 27.802 2.110 0.395 0.704 0.914 0.771 CB 1.451 36 residues pruned to eliminate duplicates Z: 35 27.230 2.093 0.333 0.705 0.941 0.647 CB 1.477 35 residues pruned to eliminate duplicates Z: 29 27.195 2.046 0.429 0.745 1.000 0.786 CB 1.412 29 residues pruned to eliminate duplicates Z: 37 24.615 2.050 0.362 0.674 0.917 0.750 CB 1.366 37 residues pruned to eliminate duplicates Z: 35 31.181 2.118 0.545 0.712 0.941 0.735 CB 1.432 35 residues pruned to eliminate duplicates Z: 22 26.861 2.045 0.581 0.813 1.000 0.762 CB 1.380 22 residues pruned to eliminate duplicates Z: 35 29.236 2.126 0.525 0.711 0.912 0.647 CB 1.400 35 residues pruned to eliminate duplicates Z: 10 14.356 2.017 0.252 0.890 1.000 1.000 CB 1.364 10 residues pruned to eliminate duplicates Z: 38 28.328 2.085 0.562 0.652 0.892 0.568 CB 1.392 38 residues pruned to eliminate duplicates Z: 12 17.386 1.898 0.359 0.887 1.000 0.727 CB 1.465 12 residues pruned to eliminate duplicates Z: 36 29.627 2.088 0.526 0.703 0.943 0.686 CB 1.385 35 residues pruned to eliminate duplicates Z: 11 18.315 1.912 0.652 0.913 1.000 0.700 CB 1.297 11 residues pruned to eliminate duplicates Z: 36 26.839 2.095 0.381 0.688 0.914 0.600 CB 1.444 36 residues pruned to eliminate duplicates Z: 37 29.147 2.088 0.469 0.675 0.944 0.667 CB 1.427 37 residues pruned to eliminate duplicates Z: 56 31.701 2.156 0.476 0.569 0.927 0.545 CB 1.354 57 residues pruned to eliminate duplicates Z: 10 18.660 2.013 0.540 0.899 1.000 0.333 CB 1.434 10 residues pruned to eliminate duplicates Z: 38 28.991 2.040 0.489 0.648 0.973 0.622 CB 1.405 38 residues pruned to eliminate duplicates Z: 35 30.347 2.123 0.572 0.702 0.912 0.647 CB 1.422 35 residues pruned to eliminate duplicates Z: 47 29.258 2.101 0.461 0.628 0.957 0.674 CB 1.303 47 residues pruned to eliminate duplicates Z: 35 29.585 2.134 0.449 0.719 0.941 0.706 CB 1.431 35 residues pruned to eliminate duplicates Z: 35 29.093 2.120 0.474 0.694 0.941 0.588 CB 1.421 35 residues pruned to eliminate duplicates Z: 35 30.208 2.128 0.504 0.706 0.941 0.647 CB 1.426 35 residues pruned to eliminate duplicates Z: 36 28.676 2.086 0.482 0.687 0.943 0.543 CB 1.400 36 residues pruned to eliminate duplicates Z: 37 26.622 2.081 0.333 0.663 0.972 0.639 CB 1.415 37 residues pruned to eliminate duplicates Z: 7 10.004 2.049 0.494 0.675 0.833 0.667 CB 1.363 7 residues pruned to eliminate duplicates Z: 37 29.734 2.082 0.440 0.668 0.972 0.639 CB 1.455 37 residues pruned to eliminate duplicates Z: 37 27.490 2.066 0.416 0.667 0.944 0.639 CB 1.422 37 residues pruned to eliminate duplicates Z: 36 30.034 2.114 0.613 0.656 0.943 0.486 CB 1.366 36 residues pruned to eliminate duplicates Z: 91 50.439 2.252 0.522 0.530 0.933 0.633 CB 1.614 91 residues pruned to eliminate duplicates Z: 6 3.459 1.373 0.459 0.367 1.000 0.800 N 0.890 6 residues pruned to eliminate duplicates Z: 84 40.637 2.250 0.371 0.519 0.916 0.614 CB 1.549 84 residues pruned to eliminate duplicates Z: 75 43.308 2.205 0.410 0.555 0.946 0.635 CB 1.623 58 residues pruned to eliminate duplicates Z: 7 5.677 1.959 0.129 0.474 1.000 0.500 CB 1.075 7 residues pruned to eliminate duplicates Z: 80 47.794 2.292 0.513 0.549 0.937 0.608 CB 1.577 65 residues pruned to eliminate duplicates Z: 7 5.829 1.525 0.432 0.393 1.000 0.500 N 1.220 7 residues pruned to eliminate duplicates Z: 28 27.795 2.295 0.527 0.529 0.926 0.704 CB 1.601 28 residues pruned to eliminate duplicates Z: 33 24.869 2.188 0.356 0.563 0.969 0.625 CB 1.438 33 residues pruned to eliminate duplicates Z: 57 44.334 2.302 0.582 0.553 0.946 0.589 CB 1.632 57 residues pruned to eliminate duplicates Z: 27 17.684 2.113 0.494 0.487 0.885 0.577 CB 1.259 27 residues pruned to eliminate duplicates Z: 25 17.952 2.278 0.455 0.519 0.833 0.667 CB 1.302 25 residues pruned to eliminate duplicates Z: 18 24.652 2.350 0.618 0.678 0.882 0.588 CB 1.513 18 residues pruned to eliminate duplicates Z: 56 43.593 2.293 0.595 0.554 0.909 0.727 CA 1.678 56 residues pruned to eliminate duplicates Z: 71 38.443 2.268 0.380 0.543 0.929 0.614 CB 1.516 71 residues pruned to eliminate duplicates Z: 31 28.941 2.267 0.696 0.471 0.900 0.433 CB 1.574 31 residues pruned to eliminate duplicates Z: 28 30.589 2.297 0.733 0.535 0.889 0.593 CB 1.608 28 residues pruned to eliminate duplicates Z: 84 42.774 2.244 0.517 0.490 0.916 0.518 CB 1.521 72 residues pruned to eliminate duplicates Z: 16 29.034 2.267 0.713 0.852 0.933 0.733 CB 1.530 16 residues pruned to eliminate duplicates Z: 73 40.274 2.275 0.514 0.522 0.889 0.625 CB 1.517 73 residues pruned to eliminate duplicates Z: 23 25.008 2.287 0.778 0.557 0.864 0.636 CB 1.437 23 residues pruned to eliminate duplicates Z: 53 47.902 2.331 0.588 0.605 0.962 0.635 CB 1.689 53 residues pruned to eliminate duplicates Z: 49 37.759 2.324 0.570 0.562 0.854 0.542 CB 1.646 49 residues pruned to eliminate duplicates Z: 85 40.274 2.244 0.423 0.493 0.869 0.571 CB 1.594 85 residues pruned to eliminate duplicates Z: 66 40.453 2.273 0.537 0.527 0.892 0.646 CB 1.568 66 residues pruned to eliminate duplicates Z: 74 43.818 2.293 0.547 0.537 0.904 0.562 CB 1.542 74 residues pruned to eliminate duplicates Z: 58 46.335 2.294 0.674 0.547 0.930 0.509 CB 1.641 58 residues pruned to eliminate duplicates Z: 66 50.046 2.287 0.612 0.543 0.969 0.585 CB 1.666 66 residues pruned to eliminate duplicates Z: 43 41.563 2.372 0.549 0.616 0.905 0.476 CB 1.728 43 residues pruned to eliminate duplicates Z: 60 43.012 2.250 0.583 0.542 0.915 0.644 CB 1.649 60 residues pruned to eliminate duplicates Z: 57 42.962 2.321 0.556 0.530 0.929 0.607 CB 1.662 57 residues pruned to eliminate duplicates Z: 79 42.507 2.277 0.503 0.507 0.923 0.564 CB 1.513 79 residues pruned to eliminate duplicates Z: 55 46.457 2.329 0.588 0.599 0.944 0.556 CB 1.647 55 residues pruned to eliminate duplicates Z: 64 38.972 2.254 0.570 0.518 0.857 0.571 CB 1.590 64 residues pruned to eliminate duplicates Z: 66 40.664 2.320 0.377 0.537 0.923 0.600 CB 1.649 66 residues pruned to eliminate duplicates Z: 127 50.810 2.198 0.473 0.521 0.897 0.635 CB 1.527 93 residues pruned to eliminate duplicates Z: 13 19.358 2.329 0.243 0.842 0.917 0.750 CA 1.569 13 residues pruned to eliminate duplicates Z: 75 45.773 2.244 0.596 0.532 0.946 0.595 CB 1.522 75 residues pruned to eliminate duplicates Z: 143 57.501 2.200 0.475 0.552 0.908 0.563 CB 1.556 126 residues pruned to eliminate duplicates Z: 14 15.221 2.100 0.044 0.886 1.000 1.000 CA 1.390 14 residues pruned to eliminate duplicates Z: 75 42.823 2.272 0.517 0.539 0.932 0.608 CB 1.491 75 residues pruned to eliminate duplicates Z: 63 51.561 2.344 0.580 0.586 0.952 0.758 CB 1.711 63 residues pruned to eliminate duplicates Z: 65 50.323 2.289 0.615 0.550 0.953 0.625 CB 1.700 65 residues pruned to eliminate duplicates Z: 65 45.792 2.301 0.554 0.537 0.938 0.625 CB 1.647 65 residues pruned to eliminate duplicates Z: 61 47.496 2.313 0.677 0.524 0.933 0.500 CB 1.654 61 residues pruned to eliminate duplicates Z: 55 51.463 2.343 0.666 0.584 0.963 0.611 CB 1.719 55 residues pruned to eliminate duplicates Z: 66 49.561 2.305 0.640 0.558 0.954 0.646 CB 1.610 66 residues pruned to eliminate duplicates Z: 82 47.022 2.286 0.506 0.538 0.926 0.556 CB 1.579 82 residues pruned to eliminate duplicates Z: 57 47.611 2.318 0.676 0.546 0.929 0.643 CB 1.685 57 residues pruned to eliminate duplicates Z: 60 48.802 2.341 0.699 0.549 0.932 0.661 CB 1.633 60 residues pruned to eliminate duplicates Z: 43 35.342 2.310 0.527 0.501 0.929 0.548 CB 1.662 43 residues pruned to eliminate duplicates Z: 64 48.172 2.331 0.597 0.551 0.921 0.651 CB 1.684 64 residues pruned to eliminate duplicates Z: 57 45.282 2.340 0.602 0.541 0.929 0.661 CB 1.671 57 residues pruned to eliminate duplicates Z: 61 48.958 2.330 0.646 0.537 0.933 0.533 CB 1.702 61 residues pruned to eliminate duplicates Z: 87 43.931 2.277 0.451 0.480 0.895 0.523 CB 1.634 87 residues pruned to eliminate duplicates Z: 79 39.976 2.250 0.410 0.509 0.885 0.603 CB 1.598 79 residues pruned to eliminate duplicates Z: 81 46.477 2.298 0.528 0.524 0.913 0.525 CB 1.584 81 residues pruned to eliminate duplicates Z: 40 22.953 2.175 0.401 0.432 0.897 0.513 CB 1.442 40 residues pruned to eliminate duplicates Z: 62 28.389 2.048 0.466 0.502 0.885 0.508 CB 1.365 62 residues pruned to eliminate duplicates Z: 20 12.822 2.140 0.345 0.420 0.895 0.526 CB 1.241 20 residues pruned to eliminate duplicates Z: 19 11.220 2.113 0.299 0.407 0.833 0.500 CB 1.275 19 residues pruned to eliminate duplicates Z: 76 42.860 2.263 0.516 0.502 0.920 0.573 CB 1.565 76 residues pruned to eliminate duplicates Z: 28 18.297 2.101 0.453 0.414 0.889 0.444 CB 1.420 28 residues pruned to eliminate duplicates Z: 53 37.496 2.278 0.542 0.498 0.923 0.500 CB 1.607 53 residues pruned to eliminate duplicates Z: 19 11.037 2.116 0.297 0.430 0.889 0.444 CB 1.146 19 residues pruned to eliminate duplicates Z: 23 14.232 2.022 0.471 0.394 0.909 0.591 CB 1.256 23 residues pruned to eliminate duplicates Z: 84 41.208 2.261 0.450 0.484 0.904 0.458 CB 1.553 84 residues pruned to eliminate duplicates Z: 64 36.502 2.226 0.514 0.451 0.905 0.540 CB 1.585 64 residues pruned to eliminate duplicates Z: 22 14.429 2.033 0.415 0.441 0.952 0.429 CB 1.221 22 residues pruned to eliminate duplicates Z: 25 15.622 2.066 0.468 0.362 0.917 0.542 CB 1.331 25 residues pruned to eliminate duplicates Z: 89 43.270 2.213 0.485 0.477 0.920 0.534 CB 1.561 89 residues pruned to eliminate duplicates Z: 31 16.188 2.046 0.453 0.374 0.867 0.467 CB 1.312 31 residues pruned to eliminate duplicates Z: 86 45.378 2.244 0.538 0.491 0.906 0.576 CB 1.588 86 residues pruned to eliminate duplicates Z: 29 19.703 2.111 0.559 0.394 0.893 0.464 CB 1.417 29 residues pruned to eliminate duplicates Z: 67 38.317 2.224 0.523 0.447 0.909 0.545 CB 1.618 67 residues pruned to eliminate duplicates Z: 98 45.958 2.204 0.545 0.465 0.907 0.515 CB 1.565 98 residues pruned to eliminate duplicates Z: 31 16.633 2.079 0.425 0.368 0.867 0.500 CB 1.363 31 residues pruned to eliminate duplicates Z: 86 48.509 2.258 0.526 0.488 0.953 0.565 CB 1.623 86 residues pruned to eliminate duplicates Z: 79 35.563 2.098 0.414 0.556 0.897 0.590 CB 1.432 79 residues pruned to eliminate duplicates Z: 6 3.786 1.594 1.153 0.198 0.600 0.400 CB 1.178 6 residues pruned to eliminate duplicates Z: 17 10.231 1.957 0.429 0.320 0.750 0.375 CB 1.487 17 residues pruned to eliminate duplicates Z: 29 13.569 2.056 0.313 0.370 0.786 0.464 CB 1.389 29 residues pruned to eliminate duplicates Z: 15 14.548 2.082 0.530 0.380 0.857 0.500 CA 1.619 15 residues pruned to eliminate duplicates Z: 95 43.291 2.204 0.586 0.463 0.883 0.532 CB 1.502 95 residues pruned to eliminate duplicates Z: 31 17.963 2.117 0.555 0.342 0.833 0.467 CB 1.420 31 residues pruned to eliminate duplicates Z: 41 26.226 2.021 0.424 0.587 0.900 0.675 CB 1.474 41 residues pruned to eliminate duplicates Z: 103 52.444 2.195 0.611 0.529 0.931 0.549 CB 1.533 103 residues pruned to eliminate duplicates Z: 134 51.943 2.193 0.386 0.547 0.902 0.624 CB 1.568 134 residues pruned to eliminate duplicates Z: 25 24.147 2.035 0.319 0.752 0.958 0.833 CA 1.530 25 residues pruned to eliminate duplicates Z: 19 16.232 2.054 0.151 0.616 0.944 0.778 CA 1.535 19 residues pruned to eliminate duplicates Z: 23 20.808 2.125 0.230 0.741 0.909 0.864 CA 1.505 23 residues pruned to eliminate duplicates Z: 14 14.618 2.029 0.245 0.656 0.923 0.846 CB 1.504 14 residues pruned to eliminate duplicates Z: 33 25.551 2.137 0.203 0.678 0.938 0.719 CB 1.591 33 residues pruned to eliminate duplicates Z: 12 14.456 2.066 0.091 0.761 1.000 1.000 CA 1.533 12 residues pruned to eliminate duplicates Z: 26 29.318 2.206 0.331 0.785 0.960 0.880 CB 1.619 26 residues pruned to eliminate duplicates Z: 23 31.072 2.107 0.472 0.853 0.955 0.818 CA 1.653 23 residues pruned to eliminate duplicates Z: 24 28.909 2.094 0.455 0.870 1.000 0.913 CB 1.443 24 residues pruned to eliminate duplicates Z: 53 31.244 2.079 0.439 0.667 0.865 0.615 CB 1.434 53 residues pruned to eliminate duplicates Z: 24 33.906 2.120 0.763 0.804 0.957 0.565 CB 1.517 24 residues pruned to eliminate duplicates Z: 32 31.201 2.176 0.616 0.676 0.839 0.677 CB 1.615 32 residues pruned to eliminate duplicates Z: 28 28.175 2.048 0.646 0.725 0.926 0.519 CB 1.418 28 residues pruned to eliminate duplicates Z: 22 33.952 2.000 1.043 0.873 0.952 0.619 CB 1.387 22 residues pruned to eliminate duplicates Z: 25 31.172 2.061 0.718 0.738 0.958 0.458 CB 1.515 25 residues pruned to eliminate duplicates Z: 21 40.906 2.232 0.851 0.894 1.000 0.450 CB 1.589 21 residues pruned to eliminate duplicates Z: 50 38.661 2.107 0.582 0.688 0.939 0.449 CB 1.485 50 residues pruned to eliminate duplicates Z: 28 26.404 2.143 0.614 0.655 0.852 0.370 CB 1.494 28 residues pruned to eliminate duplicates Z: 41 36.063 2.129 0.672 0.675 0.925 0.575 CB 1.474 41 residues pruned to eliminate duplicates Z: 53 40.714 2.106 0.559 0.720 0.962 0.654 CB 1.465 49 residues pruned to eliminate duplicates Z: 21 29.392 2.230 0.737 0.823 0.850 0.300 CB 1.508 21 residues pruned to eliminate duplicates Z: 53 39.196 2.113 0.522 0.688 0.962 0.500 CB 1.479 53 residues pruned to eliminate duplicates Z: 11 13.900 2.163 0.327 0.505 0.900 0.700 CA 1.692 11 residues pruned to eliminate duplicates Z: 12 13.301 2.048 0.404 0.466 1.000 0.818 CB 1.444 12 residues pruned to eliminate duplicates Z: 12 11.318 1.941 0.344 0.462 0.909 0.636 CB 1.496 12 residues pruned to eliminate duplicates Z: 12 15.113 2.116 0.445 0.443 1.000 0.727 CB 1.581 12 residues pruned to eliminate duplicates Z: 11 13.219 1.973 0.468 0.503 0.900 0.700 CA 1.599 11 residues pruned to eliminate duplicates Z: 13 16.501 2.012 0.616 0.491 1.000 0.750 CA 1.479 13 residues pruned to eliminate duplicates Z: 32 37.807 2.200 0.693 0.721 0.968 0.548 CB 1.542 32 residues pruned to eliminate duplicates Z: 40 29.542 2.099 0.423 0.593 0.974 0.615 CB 1.486 33 residues pruned to eliminate duplicates Z: 7 11.226 1.961 0.580 0.613 1.000 0.667 CA 1.329 7 residues pruned to eliminate duplicates Z: 20 17.867 1.987 0.585 0.441 0.947 0.526 CB 1.461 20 residues pruned to eliminate duplicates Z: 30 23.029 2.060 0.381 0.548 1.000 0.621 CB 1.434 30 residues pruned to eliminate duplicates Z: 17 17.829 2.059 0.637 0.448 0.938 0.562 CB 1.487 17 residues pruned to eliminate duplicates Z: 29 22.673 2.038 0.397 0.545 1.000 0.607 CB 1.441 29 residues pruned to eliminate duplicates Z: 29 23.589 2.057 0.372 0.581 0.964 0.643 CB 1.516 29 residues pruned to eliminate duplicates Z: 51 41.061 2.125 0.675 0.677 0.960 0.520 CB 1.444 51 residues pruned to eliminate duplicates Z: 21 17.613 2.048 0.452 0.433 1.000 0.700 CB 1.419 21 residues pruned to eliminate duplicates Z: 31 22.428 2.038 0.483 0.566 0.967 0.667 CB 1.315 31 residues pruned to eliminate duplicates Z: 29 23.375 2.040 0.520 0.590 0.929 0.607 CB 1.407 29 residues pruned to eliminate duplicates Z: 29 21.502 1.960 0.557 0.528 1.000 0.500 CB 1.294 29 residues pruned to eliminate duplicates Z: 52 36.875 2.122 0.604 0.681 0.922 0.490 CB 1.394 52 residues pruned to eliminate duplicates Z: 30 20.888 2.017 0.344 0.567 0.931 0.517 CB 1.440 30 residues pruned to eliminate duplicates Z: 50 40.978 2.122 0.684 0.702 0.959 0.551 CB 1.420 50 residues pruned to eliminate duplicates Z: 41 24.581 2.040 0.417 0.523 0.950 0.525 CB 1.384 41 residues pruned to eliminate duplicates Z: 24 21.671 2.047 0.305 0.668 1.000 0.609 CB 1.448 23 residues pruned to eliminate duplicates Z: 12 13.234 2.069 0.101 0.930 1.000 1.000 CB 1.225 12 residues pruned to eliminate duplicates Z: 53 41.425 2.115 0.638 0.690 0.962 0.596 CB 1.448 53 residues pruned to eliminate duplicates Z: 60 41.539 2.138 0.534 0.670 0.983 0.542 CB 1.434 60 residues pruned to eliminate duplicates Z: 41 27.145 2.017 0.436 0.558 1.000 0.650 CB 1.400 41 residues pruned to eliminate duplicates Z: 64 42.083 2.099 0.611 0.650 0.968 0.508 CB 1.409 64 residues pruned to eliminate duplicates Z: 41 26.979 2.064 0.410 0.540 1.000 0.600 CB 1.410 41 residues pruned to eliminate duplicates Z: 41 27.214 2.099 0.410 0.560 0.950 0.625 CB 1.444 41 residues pruned to eliminate duplicates Z: 6 2.618 1.873 0.188 0.191 0.600 0.400 CA 1.269 6 residues pruned to eliminate duplicates Z: 41 26.720 2.013 0.547 0.583 0.975 0.600 CB 1.284 41 residues pruned to eliminate duplicates Z: 41 28.025 2.078 0.440 0.570 0.975 0.625 CB 1.420 41 residues pruned to eliminate duplicates Z: 20 16.257 2.038 0.252 0.602 0.895 0.579 CB 1.483 20 residues pruned to eliminate duplicates Z: 41 28.941 2.075 0.521 0.575 0.950 0.675 CB 1.419 41 residues pruned to eliminate duplicates 484 residues left after pruning, divided into chains as follows: A: 234 B: 16 C: 79 D: 103 E: 52 CC for partial structure against native data = 32.18 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.299, Contrast = 0.445, Connect. = 0.747 for dens.mod. cycle 1 = 0.299, Contrast = 0.493, Connect. = 0.761 for dens.mod. cycle 2 = 0.299, Contrast = 0.631, Connect. = 0.800 for dens.mod. cycle 3 = 0.299, Contrast = 0.645, Connect. = 0.802 for dens.mod. cycle 4 = 0.299, Contrast = 0.660, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.669, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.678, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.685, Connect. = 0.806 for dens.mod. cycle 8 = 0.299, Contrast = 0.690, Connect. = 0.807 for dens.mod. cycle 9 = 0.299, Contrast = 0.695, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2832 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 586 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 25.627 2.357 0.466 0.915 1.000 0.923 CB 1.454 B: 21 14.205 2.130 0.237 0.468 0.850 0.600 CB 1.465 7 residues pruned to eliminate duplicates C: 15 20.438 2.231 0.169 0.851 1.000 0.929 CA 1.551 15 residues pruned to eliminate duplicates D: 14 36.946 2.425 0.790 0.913 1.000 0.846 CB 1.670 E: 22 24.464 2.140 0.695 0.496 0.952 0.571 CB 1.552 F: 15 25.855 2.302 0.497 0.911 0.929 0.714 CB 1.531 G: 19 24.715 2.144 0.406 0.814 0.944 0.667 CA 1.558 H: 20 39.870 2.302 0.750 0.940 0.947 0.526 CB 1.665 I: 13 27.861 2.398 0.426 0.877 1.000 1.000 CA 1.708 J: 22 35.880 2.222 0.535 0.907 0.952 0.667 CB 1.713 22 residues pruned to eliminate duplicates K: 86 47.388 2.330 0.482 0.538 0.894 0.682 CB 1.604 27 residues pruned to eliminate duplicates L: 13 26.398 2.392 0.408 0.905 1.000 0.917 CB 1.610 13 residues pruned to eliminate duplicates M: 10 12.914 1.999 0.231 0.900 1.000 0.667 CB 1.249 N: 13 18.973 2.212 0.700 0.884 0.667 0.333 CB 1.579 13 residues pruned to eliminate duplicates O: 16 18.407 1.990 0.372 0.900 1.000 0.867 CB 1.244 P: 66 54.393 2.386 0.768 0.542 0.938 0.631 CB 1.635 67 residues pruned to eliminate duplicates Q: 21 36.935 2.152 0.689 0.946 1.000 0.700 CB 1.572 R: 6 10.188 2.122 0.339 0.705 1.000 0.800 CA 1.331 6 residues pruned to eliminate duplicates S: 129 58.853 2.302 0.483 0.554 0.891 0.562 CB 1.624 114 residues pruned to eliminate duplicates T: 166 70.374 2.319 0.593 0.541 0.915 0.485 CB 1.557 126 residues pruned to eliminate duplicates U: 16 29.310 2.180 0.754 0.915 1.000 0.867 CB 1.398 16 residues pruned to eliminate duplicates V: 235 81.056 2.264 0.592 0.551 0.919 0.543 CB 1.523 197 residues pruned to eliminate duplicates W: 21 38.371 2.231 0.586 0.928 1.000 0.850 CB 1.697 21 residues pruned to eliminate duplicates X: 14 18.411 2.076 0.424 0.831 1.000 0.769 CB 1.297 Y: 11 7.024 1.831 0.164 0.501 0.800 0.500 CA 1.301 11 residues pruned to eliminate duplicates Z: 17 22.297 2.174 0.543 0.861 0.938 0.750 CB 1.302 17 residues pruned to eliminate duplicates Z: 14 14.775 2.010 0.268 0.902 1.000 0.769 CB 1.146 14 residues pruned to eliminate duplicates Z: 15 14.374 2.000 0.178 0.792 1.000 0.786 CB 1.263 15 residues pruned to eliminate duplicates Z: 14 29.888 2.321 0.824 0.852 0.923 0.538 CA 1.568 14 residues pruned to eliminate duplicates Z: 14 15.793 2.263 0.207 0.835 0.769 0.615 CA 1.561 14 residues pruned to eliminate duplicates Z: 15 12.347 1.894 0.321 0.856 0.929 0.786 CA 1.047 15 residues pruned to eliminate duplicates Z: 15 33.186 2.271 0.826 0.852 0.929 0.643 CB 1.704 15 residues pruned to eliminate duplicates Z: 61 65.873 2.405 0.859 0.599 0.983 0.700 CB 1.760 65 residues pruned to eliminate duplicates Z: 21 32.241 2.119 0.651 0.930 0.950 0.750 CB 1.517 21 residues pruned to eliminate duplicates Z: 69 47.452 2.277 0.592 0.513 0.971 0.485 CB 1.614 46 residues pruned to eliminate duplicates Z: 87 46.816 2.255 0.418 0.576 0.942 0.640 CB 1.558 87 residues pruned to eliminate duplicates Z: 6 15.192 2.122 0.302 0.856 1.000 1.000 CA 1.814 Z: 14 18.855 1.973 0.315 0.876 1.000 0.846 CB 1.465 15 residues pruned to eliminate duplicates Z: 60 34.447 2.105 0.566 0.550 0.915 0.610 CB 1.416 60 residues pruned to eliminate duplicates Z: 25 13.355 2.049 0.347 0.397 0.875 0.583 CB 1.258 8 residues pruned to eliminate duplicates Z: 13 44.659 2.389 1.152 0.916 1.000 0.750 CA 1.770 13 residues pruned to eliminate duplicates Z: 21 38.296 2.280 0.805 0.936 0.950 0.500 CB 1.525 21 residues pruned to eliminate duplicates Z: 6 14.450 2.131 0.293 0.878 1.000 1.000 CB 1.702 6 residues pruned to eliminate duplicates Z: 13 30.376 2.318 1.046 0.901 0.917 0.583 CB 1.439 13 residues pruned to eliminate duplicates Z: 20 32.052 2.236 0.447 0.941 1.000 0.737 CB 1.577 20 residues pruned to eliminate duplicates Z: 10 11.804 2.050 0.173 0.844 1.000 0.667 CB 1.217 10 residues pruned to eliminate duplicates Z: 13 11.226 1.967 0.358 0.386 0.917 0.750 CB 1.494 Z: 15 32.504 2.317 0.617 0.940 0.929 0.500 CB 1.735 15 residues pruned to eliminate duplicates Z: 16 26.327 2.256 0.593 0.846 0.933 0.600 CB 1.506 16 residues pruned to eliminate duplicates Z: 6 10.726 2.268 0.282 0.716 0.800 0.400 CB 1.696 6 residues pruned to eliminate duplicates Z: 13 33.306 2.430 0.711 0.911 1.000 0.917 CB 1.639 13 residues pruned to eliminate duplicates Z: 7 8.047 1.977 0.207 0.809 0.833 0.667 CB 1.262 Z: 21 36.228 2.135 0.621 0.928 1.000 0.700 CB 1.639 21 residues pruned to eliminate duplicates Z: 15 12.932 2.044 0.515 0.432 0.857 0.643 CB 1.397 15 residues pruned to eliminate duplicates Z: 128 50.491 2.174 0.484 0.526 0.913 0.622 CB 1.482 115 residues pruned to eliminate duplicates Z: 33 25.232 2.247 0.484 0.530 0.844 0.594 CB 1.539 33 residues pruned to eliminate duplicates Z: 15 19.785 2.232 0.221 0.865 1.000 0.857 CA 1.422 15 residues pruned to eliminate duplicates Z: 20 28.642 2.290 0.318 0.929 0.947 0.421 CB 1.608 20 residues pruned to eliminate duplicates Z: 14 42.133 2.469 1.036 0.904 1.000 0.846 CB 1.655 14 residues pruned to eliminate duplicates Z: 53 35.265 2.201 0.536 0.529 0.942 0.654 CB 1.492 53 residues pruned to eliminate duplicates Z: 15 11.125 1.946 0.373 0.448 0.857 0.643 CB 1.368 Z: 72 42.874 2.262 0.566 0.578 0.901 0.606 CB 1.478 72 residues pruned to eliminate duplicates Z: 11 22.730 2.353 0.566 0.827 0.900 0.800 CA 1.633 11 residues pruned to eliminate duplicates Z: 54 27.648 2.155 0.385 0.511 0.887 0.547 CB 1.420 54 residues pruned to eliminate duplicates Z: 8 15.937 1.933 0.611 0.841 0.857 0.429 CA 1.683 8 residues pruned to eliminate duplicates Z: 15 27.311 2.176 0.793 0.839 1.000 0.429 CA 1.397 15 residues pruned to eliminate duplicates Z: 21 30.760 2.116 0.646 0.893 0.950 0.650 CB 1.493 21 residues pruned to eliminate duplicates Z: 13 13.466 2.075 0.097 0.922 1.000 0.583 CB 1.202 13 residues pruned to eliminate duplicates Z: 55 38.826 2.291 0.563 0.534 0.926 0.500 CB 1.541 55 residues pruned to eliminate duplicates Z: 41 25.635 2.059 0.434 0.589 0.900 0.600 CB 1.401 16 residues pruned to eliminate duplicates Z: 13 31.008 2.390 0.578 0.908 1.000 0.833 CB 1.685 13 residues pruned to eliminate duplicates Z: 65 37.320 2.099 0.527 0.674 0.953 0.578 CB 1.300 67 residues pruned to eliminate duplicates Z: 15 17.722 2.155 0.313 0.888 0.929 0.786 CB 1.300 15 residues pruned to eliminate duplicates Z: 6 13.691 2.089 0.336 0.843 1.000 0.600 CB 1.634 6 residues pruned to eliminate duplicates Z: 14 38.068 2.406 0.768 0.916 1.000 0.769 CB 1.753 14 residues pruned to eliminate duplicates Z: 13 37.735 2.397 0.811 0.908 1.000 1.000 CA 1.782 13 residues pruned to eliminate duplicates Z: 29 39.288 2.390 0.667 0.718 0.964 0.607 CB 1.586 29 residues pruned to eliminate duplicates Z: 7 4.619 1.869 0.314 0.450 0.667 0.500 CB 1.212 7 residues pruned to eliminate duplicates Z: 15 15.559 2.118 0.062 0.907 1.000 1.000 CB 1.314 15 residues pruned to eliminate duplicates Z: 21 36.294 2.146 0.697 0.943 1.000 0.800 CB 1.544 21 residues pruned to eliminate duplicates Z: 81 36.327 2.141 0.399 0.511 0.913 0.575 CB 1.470 63 residues pruned to eliminate duplicates Z: 80 43.239 2.214 0.540 0.546 0.911 0.481 CB 1.496 80 residues pruned to eliminate duplicates Z: 16 25.713 2.204 0.525 0.881 0.933 0.667 CA 1.533 16 residues pruned to eliminate duplicates Z: 11 11.703 1.976 0.365 0.574 0.900 0.700 CB 1.420 11 residues pruned to eliminate duplicates Z: 14 39.103 2.441 0.833 0.928 1.000 0.846 CB 1.697 14 residues pruned to eliminate duplicates Z: 11 9.871 1.984 0.219 0.842 0.800 0.600 CB 1.203 11 residues pruned to eliminate duplicates Z: 6 12.126 2.188 0.235 0.670 1.000 0.600 CB 1.715 Z: 127 50.793 2.280 0.406 0.532 0.913 0.460 CB 1.499 127 residues pruned to eliminate duplicates Z: 10 14.042 2.164 0.274 0.819 1.000 0.556 CB 1.287 10 residues pruned to eliminate duplicates Z: 16 30.416 2.225 0.639 0.819 1.000 0.400 CA 1.633 16 residues pruned to eliminate duplicates Z: 168 64.915 2.276 0.546 0.529 0.928 0.599 CB 1.495 168 residues pruned to eliminate duplicates Z: 75 38.077 2.268 0.438 0.494 0.905 0.635 CB 1.509 60 residues pruned to eliminate duplicates Z: 16 33.429 2.318 0.823 0.849 0.933 0.733 CA 1.622 16 residues pruned to eliminate duplicates Z: 26 12.405 1.971 0.378 0.346 0.880 0.400 CB 1.227 22 residues pruned to eliminate duplicates Z: 13 19.568 1.849 0.443 0.887 1.000 0.583 CB 1.527 13 residues pruned to eliminate duplicates Z: 99 44.092 2.221 0.462 0.495 0.929 0.551 CB 1.484 99 residues pruned to eliminate duplicates Z: 94 36.831 2.020 0.432 0.548 0.914 0.559 CB 1.378 116 residues pruned to eliminate duplicates Z: 12 13.430 2.178 0.219 0.640 0.818 0.727 CB 1.636 8 residues pruned to eliminate duplicates Z: 14 30.372 2.250 0.901 0.907 1.000 0.462 CB 1.400 14 residues pruned to eliminate duplicates Z: 15 31.743 2.298 0.705 0.897 1.000 0.571 CB 1.550 15 residues pruned to eliminate duplicates Z: 15 23.123 2.288 0.202 0.873 1.000 0.714 CB 1.636 15 residues pruned to eliminate duplicates Z: 18 35.130 2.335 0.743 0.933 0.882 0.529 CB 1.655 18 residues pruned to eliminate duplicates Z: 64 54.497 2.361 0.670 0.582 0.952 0.683 CB 1.690 65 residues pruned to eliminate duplicates Z: 14 27.872 2.412 0.291 0.920 1.000 0.923 CB 1.748 14 residues pruned to eliminate duplicates Z: 99 53.034 2.339 0.557 0.492 0.918 0.571 CB 1.615 99 residues pruned to eliminate duplicates Z: 46 41.108 2.397 0.534 0.526 0.933 0.556 CB 1.741 46 residues pruned to eliminate duplicates Z: 64 38.592 2.195 0.626 0.489 0.952 0.460 CB 1.445 64 residues pruned to eliminate duplicates Z: 107 43.423 2.217 0.337 0.523 0.906 0.594 CB 1.536 84 residues pruned to eliminate duplicates Z: 61 37.813 2.278 0.469 0.541 0.900 0.617 CB 1.557 61 residues pruned to eliminate duplicates Z: 15 19.789 2.122 0.739 0.789 0.786 0.429 CA 1.416 15 residues pruned to eliminate duplicates Z: 23 28.576 2.145 0.399 0.853 0.955 0.864 CB 1.572 23 residues pruned to eliminate duplicates Z: 10 10.570 2.154 0.160 0.763 0.889 0.556 CB 1.255 10 residues pruned to eliminate duplicates Z: 13 14.732 1.792 0.485 0.842 0.917 0.667 CB 1.299 10 residues pruned to eliminate duplicates Z: 66 54.020 2.425 0.676 0.576 0.923 0.585 CB 1.659 66 residues pruned to eliminate duplicates Z: 11 13.824 2.000 0.195 0.899 1.000 0.900 CA 1.308 Z: 63 41.654 2.139 0.515 0.644 1.000 0.597 CB 1.428 26 residues pruned to eliminate duplicates Z: 24 25.570 2.193 0.643 0.648 0.870 0.478 CB 1.483 24 residues pruned to eliminate duplicates Z: 12 14.037 2.119 0.339 0.829 1.000 0.727 CB 1.123 12 residues pruned to eliminate duplicates Z: 129 57.184 2.289 0.560 0.564 0.867 0.594 CB 1.534 129 residues pruned to eliminate duplicates Z: 12 11.782 2.013 0.417 0.628 0.818 0.727 CA 1.349 12 residues pruned to eliminate duplicates Z: 13 13.943 1.746 0.424 0.879 1.000 0.833 CB 1.174 13 residues pruned to eliminate duplicates Z: 10 23.861 2.199 0.716 0.786 1.000 0.778 CA 1.638 10 residues pruned to eliminate duplicates Z: 11 8.519 1.758 0.297 0.746 0.800 0.400 CB 1.185 Z: 6 15.925 2.076 0.684 0.809 1.000 0.800 CA 1.557 6 residues pruned to eliminate duplicates Z: 7 2.533 1.531 0.179 0.224 0.667 0.500 CB 1.187 Z: 14 34.113 2.220 0.937 0.865 1.000 0.846 CA 1.611 14 residues pruned to eliminate duplicates Z: 19 26.383 2.119 0.368 0.884 0.944 0.833 CA 1.641 19 residues pruned to eliminate duplicates Z: 27 17.099 2.064 0.454 0.395 0.808 0.577 CB 1.546 27 residues pruned to eliminate duplicates Z: 95 40.675 2.145 0.340 0.558 0.926 0.606 CB 1.490 95 residues pruned to eliminate duplicates Z: 15 11.071 1.910 -0.005 0.798 1.000 0.857 CB 1.200 15 residues pruned to eliminate duplicates Z: 15 25.919 2.260 0.561 0.850 1.000 0.857 CA 1.455 15 residues pruned to eliminate duplicates Z: 11 10.532 1.718 0.517 0.776 0.800 0.600 CB 1.252 10 residues pruned to eliminate duplicates Z: 64 45.050 2.252 0.707 0.533 0.921 0.476 CB 1.553 64 residues pruned to eliminate duplicates Z: 23 25.201 2.079 0.506 0.673 1.000 0.682 CA 1.464 23 residues pruned to eliminate duplicates Z: 10 14.491 2.002 0.263 0.899 1.000 1.000 CB 1.366 10 residues pruned to eliminate duplicates Z: 94 47.006 2.258 0.399 0.565 0.925 0.473 CB 1.568 94 residues pruned to eliminate duplicates Z: 55 29.704 2.082 0.345 0.592 0.944 0.648 CB 1.400 55 residues pruned to eliminate duplicates Z: 20 38.518 2.278 0.515 0.937 1.000 0.895 CB 1.781 20 residues pruned to eliminate duplicates Z: 108 51.714 2.236 0.600 0.533 0.888 0.458 CB 1.522 108 residues pruned to eliminate duplicates Z: 13 18.207 1.831 0.519 0.841 1.000 0.583 CB 1.409 13 residues pruned to eliminate duplicates Z: 54 25.707 2.100 0.360 0.457 0.925 0.566 CB 1.397 54 residues pruned to eliminate duplicates Z: 8 9.338 1.765 0.453 0.779 0.857 0.714 CA 1.255 8 residues pruned to eliminate duplicates Z: 6 11.362 2.054 0.331 0.829 1.000 0.800 CB 1.399 6 residues pruned to eliminate duplicates Z: 12 17.101 2.100 0.387 0.855 1.000 0.909 CB 1.307 12 residues pruned to eliminate duplicates Z: 14 17.022 2.292 0.108 0.857 0.923 0.615 CA 1.485 14 residues pruned to eliminate duplicates Z: 81 39.031 2.256 0.327 0.509 0.950 0.550 CB 1.521 81 residues pruned to eliminate duplicates Z: 21 30.070 2.127 0.353 0.940 1.000 0.950 CB 1.622 21 residues pruned to eliminate duplicates Z: 14 27.667 2.347 0.479 0.849 1.000 0.692 CB 1.640 14 residues pruned to eliminate duplicates Z: 14 15.660 1.974 0.336 0.811 0.923 0.538 CA 1.361 14 residues pruned to eliminate duplicates Z: 10 18.114 2.126 0.663 0.769 0.889 0.889 CA 1.515 10 residues pruned to eliminate duplicates Z: 11 15.904 1.913 0.493 0.860 1.000 0.800 CB 1.295 12 residues pruned to eliminate duplicates Z: 25 22.848 2.093 0.509 0.620 1.000 0.542 CB 1.318 21 residues pruned to eliminate duplicates Z: 15 26.091 2.260 0.507 0.868 1.000 0.714 CA 1.497 15 residues pruned to eliminate duplicates Z: 13 17.015 1.787 0.573 0.890 0.917 0.833 CB 1.371 13 residues pruned to eliminate duplicates Z: 12 15.991 2.250 0.623 0.482 0.909 0.727 CB 1.478 12 residues pruned to eliminate duplicates Z: 12 27.886 2.322 0.507 0.868 1.000 0.909 CB 1.758 12 residues pruned to eliminate duplicates Z: 7 5.650 1.898 0.279 0.472 0.667 0.500 CB 1.467 7 residues pruned to eliminate duplicates Z: 36 45.625 2.405 0.646 0.652 0.943 0.657 CA 1.793 36 residues pruned to eliminate duplicates Z: 11 14.557 2.096 0.135 0.934 1.000 1.000 CB 1.349 11 residues pruned to eliminate duplicates Z: 10 17.675 1.881 0.784 0.875 1.000 0.556 CB 1.277 10 residues pruned to eliminate duplicates Z: 140 60.081 2.228 0.525 0.554 0.914 0.547 CB 1.557 151 residues pruned to eliminate duplicates Z: 87 48.152 2.243 0.447 0.595 0.953 0.593 CB 1.532 87 residues pruned to eliminate duplicates Z: 91 45.402 2.239 0.562 0.484 0.900 0.467 CB 1.544 91 residues pruned to eliminate duplicates Z: 33 30.506 2.117 0.749 0.697 0.875 0.594 CB 1.390 33 residues pruned to eliminate duplicates Z: 48 28.585 2.075 0.369 0.640 0.957 0.723 CB 1.345 48 residues pruned to eliminate duplicates Z: 21 32.427 2.083 0.498 0.926 1.000 0.850 CA 1.629 21 residues pruned to eliminate duplicates Z: 30 20.156 2.164 0.344 0.476 0.931 0.448 CB 1.417 30 residues pruned to eliminate duplicates Z: 36 25.971 2.268 0.476 0.479 0.857 0.629 CB 1.562 36 residues pruned to eliminate duplicates Z: 77 41.097 2.295 0.447 0.520 0.921 0.632 CB 1.511 77 residues pruned to eliminate duplicates Z: 11 14.018 2.149 0.298 0.812 1.000 0.400 CB 1.210 11 residues pruned to eliminate duplicates Z: 26 18.210 2.043 0.513 0.398 0.920 0.520 CB 1.425 26 residues pruned to eliminate duplicates Z: 11 16.361 2.086 0.552 0.813 0.900 0.700 CB 1.353 11 residues pruned to eliminate duplicates Z: 7 10.824 2.074 0.011 0.889 1.000 1.000 CB 1.517 7 residues pruned to eliminate duplicates Z: 13 21.261 1.787 0.789 0.873 1.000 1.000 CB 1.398 13 residues pruned to eliminate duplicates Z: 15 14.216 1.961 0.157 0.787 1.000 0.857 CB 1.301 15 residues pruned to eliminate duplicates Z: 117 50.300 2.248 0.424 0.537 0.948 0.569 CB 1.484 117 residues pruned to eliminate duplicates Z: 21 24.650 2.106 0.216 0.915 0.950 0.850 CB 1.600 21 residues pruned to eliminate duplicates Z: 44 14.813 1.867 0.284 0.369 0.884 0.488 CB 1.227 33 residues pruned to eliminate duplicates Z: 22 24.058 2.084 0.272 0.896 1.000 0.619 CB 1.418 22 residues pruned to eliminate duplicates Z: 13 14.920 2.054 0.284 0.896 0.917 0.667 CB 1.276 13 residues pruned to eliminate duplicates Z: 29 19.828 2.111 0.494 0.503 0.821 0.464 CB 1.442 29 residues pruned to eliminate duplicates Z: 13 14.436 1.991 0.375 0.858 1.000 0.917 CB 1.121 13 residues pruned to eliminate duplicates Z: 10 10.481 2.008 0.340 0.920 1.000 0.667 CB 0.914 10 residues pruned to eliminate duplicates Z: 21 31.816 2.135 0.389 0.943 1.000 0.850 CB 1.663 21 residues pruned to eliminate duplicates Z: 28 35.084 2.329 0.651 0.669 0.889 0.704 CB 1.690 28 residues pruned to eliminate duplicates Z: 21 29.789 2.096 0.467 0.921 1.000 0.800 CB 1.524 21 residues pruned to eliminate duplicates Z: 37 15.654 2.103 0.306 0.417 0.833 0.361 CB 1.244 37 residues pruned to eliminate duplicates Z: 19 40.757 2.262 0.719 0.923 1.000 0.889 CB 1.736 19 residues pruned to eliminate duplicates Z: 15 26.184 2.262 0.358 0.892 1.000 0.929 CB 1.637 15 residues pruned to eliminate duplicates Z: 20 42.089 2.307 0.800 0.924 0.947 0.526 CB 1.723 20 residues pruned to eliminate duplicates Z: 25 14.005 1.964 0.309 0.393 0.875 0.458 CB 1.423 19 residues pruned to eliminate duplicates Z: 11 12.903 1.708 0.244 0.869 1.000 0.500 CB 1.403 14 residues pruned to eliminate duplicates Z: 15 25.358 2.242 0.524 0.892 1.000 0.643 CA 1.425 15 residues pruned to eliminate duplicates Z: 14 29.071 2.397 0.392 0.914 1.000 0.923 CB 1.709 14 residues pruned to eliminate duplicates Z: 13 13.876 2.073 0.080 0.941 1.000 1.000 CB 1.241 13 residues pruned to eliminate duplicates Z: 22 27.207 2.088 0.346 0.915 1.000 0.905 CB 1.493 22 residues pruned to eliminate duplicates Z: 26 10.250 1.911 0.334 0.414 0.920 0.480 CB 0.957 26 residues pruned to eliminate duplicates Z: 21 39.773 2.254 0.675 0.920 1.000 0.600 CB 1.658 21 residues pruned to eliminate duplicates Z: 16 23.369 2.212 0.357 0.840 0.933 0.800 CA 1.607 16 residues pruned to eliminate duplicates Z: 9 3.484 1.830 0.405 0.547 0.875 0.500 CB 0.523 9 residues pruned to eliminate duplicates Z: 9 10.013 1.862 0.175 0.841 0.875 0.750 CB 1.379 9 residues pruned to eliminate duplicates Z: 10 19.119 2.292 0.670 0.799 0.889 0.889 CA 1.442 10 residues pruned to eliminate duplicates Z: 13 11.503 2.011 0.006 0.915 1.000 0.917 CB 1.160 13 residues pruned to eliminate duplicates Z: 49 40.013 2.193 0.725 0.574 0.896 0.542 CB 1.586 49 residues pruned to eliminate duplicates Z: 14 14.114 1.996 0.092 0.833 1.000 0.846 CA 1.347 14 residues pruned to eliminate duplicates Z: 34 24.889 2.113 0.327 0.702 0.939 0.667 CB 1.368 34 residues pruned to eliminate duplicates Z: 11 15.196 2.017 0.428 0.718 0.900 0.800 CA 1.521 11 residues pruned to eliminate duplicates Z: 13 12.422 1.717 0.235 0.891 1.000 0.833 CB 1.216 12 residues pruned to eliminate duplicates Z: 61 51.487 2.398 0.667 0.562 0.950 0.650 CB 1.649 61 residues pruned to eliminate duplicates Z: 17 14.933 2.110 0.275 0.574 1.000 0.625 CB 1.292 17 residues pruned to eliminate duplicates Z: 15 16.804 2.029 0.328 0.890 1.000 0.643 CB 1.199 13 residues pruned to eliminate duplicates Z: 98 36.289 2.119 0.315 0.524 0.907 0.588 CB 1.423 98 residues pruned to eliminate duplicates Z: 7 7.972 1.478 0.435 0.807 1.000 0.500 C 1.174 7 residues pruned to eliminate duplicates Z: 17 21.143 2.097 0.572 0.919 0.938 0.562 CB 1.206 17 residues pruned to eliminate duplicates Z: 17 36.871 2.189 1.011 0.877 1.000 0.312 CB 1.520 17 residues pruned to eliminate duplicates Z: 13 15.489 2.054 0.169 0.874 1.000 0.667 CB 1.355 13 residues pruned to eliminate duplicates Z: 38 22.206 2.024 0.304 0.653 0.892 0.676 CB 1.345 38 residues pruned to eliminate duplicates Z: 15 10.587 1.903 0.361 0.374 0.857 0.714 CB 1.458 16 residues pruned to eliminate duplicates Z: 26 10.878 1.869 0.257 0.461 0.800 0.440 CB 1.205 27 residues pruned to eliminate duplicates Z: 11 11.039 1.622 0.735 0.891 0.900 0.600 CB 0.991 11 residues pruned to eliminate duplicates Z: 13 17.025 1.787 0.621 0.825 1.000 0.917 CB 1.280 13 residues pruned to eliminate duplicates Z: 21 37.851 2.224 0.605 0.908 1.000 0.900 CB 1.684 21 residues pruned to eliminate duplicates Z: 13 22.068 2.075 0.643 0.894 1.000 0.833 CB 1.340 13 residues pruned to eliminate duplicates Z: 33 16.127 2.081 0.330 0.333 0.875 0.469 CB 1.412 33 residues pruned to eliminate duplicates Z: 10 13.786 2.177 0.341 0.810 1.000 0.556 CB 1.202 10 residues pruned to eliminate duplicates Z: 6 6.420 1.793 0.181 0.729 0.800 0.600 CB 1.379 6 residues pruned to eliminate duplicates Z: 15 15.898 2.008 0.078 0.898 0.929 0.857 CB 1.512 15 residues pruned to eliminate duplicates Z: 82 47.499 2.250 0.538 0.603 0.914 0.531 CB 1.512 82 residues pruned to eliminate duplicates Z: 9 9.099 1.903 -0.188 0.898 1.000 1.000 CB 1.489 9 residues pruned to eliminate duplicates Z: 11 13.570 2.020 0.298 0.823 1.000 0.700 CB 1.237 11 residues pruned to eliminate duplicates Z: 22 32.258 2.105 0.619 0.908 1.000 0.714 CB 1.467 22 residues pruned to eliminate duplicates Z: 13 19.814 2.053 0.470 0.864 1.000 0.750 CA 1.390 13 residues pruned to eliminate duplicates Z: 21 29.847 2.132 0.360 0.940 1.000 0.850 CB 1.598 21 residues pruned to eliminate duplicates Z: 63 38.190 2.224 0.606 0.504 0.887 0.484 CB 1.524 63 residues pruned to eliminate duplicates Z: 22 12.832 2.076 0.366 0.441 0.810 0.524 CB 1.296 22 residues pruned to eliminate duplicates Z: 9 13.866 2.106 0.445 0.809 1.000 0.625 CB 1.231 9 residues pruned to eliminate duplicates Z: 130 49.603 2.217 0.448 0.519 0.922 0.535 CB 1.447 130 residues pruned to eliminate duplicates Z: 33 28.777 2.195 0.600 0.495 0.906 0.469 CB 1.606 33 residues pruned to eliminate duplicates Z: 13 14.849 1.785 0.581 0.829 0.917 0.917 CB 1.247 13 residues pruned to eliminate duplicates Z: 15 20.560 2.300 0.327 0.669 0.929 0.786 CB 1.658 15 residues pruned to eliminate duplicates Z: 12 16.656 2.091 0.428 0.876 0.909 0.636 CB 1.345 12 residues pruned to eliminate duplicates Z: 19 36.549 2.218 0.793 0.938 0.944 0.444 CB 1.595 19 residues pruned to eliminate duplicates Z: 182 71.274 2.285 0.514 0.554 0.934 0.586 CB 1.556 182 residues pruned to eliminate duplicates Z: 8 12.771 1.777 0.614 0.819 1.000 0.286 CB 1.276 8 residues pruned to eliminate duplicates Z: 12 9.820 1.705 0.168 0.903 0.909 0.818 CB 1.166 11 residues pruned to eliminate duplicates Z: 15 23.935 2.097 0.622 0.843 1.000 0.857 CA 1.401 15 residues pruned to eliminate duplicates Z: 21 28.788 2.106 0.386 0.910 1.000 0.900 CB 1.564 21 residues pruned to eliminate duplicates Z: 14 16.873 1.970 0.321 0.831 1.000 0.846 CB 1.351 14 residues pruned to eliminate duplicates Z: 9 7.315 1.647 0.052 0.799 1.000 0.625 CA 1.149 9 residues pruned to eliminate duplicates Z: 11 14.038 2.017 0.402 0.823 0.900 0.800 CA 1.319 11 residues pruned to eliminate duplicates Z: 9 15.460 2.074 0.428 0.848 1.000 0.875 CB 1.370 9 residues pruned to eliminate duplicates Z: 68 45.634 2.316 0.519 0.631 0.881 0.463 CB 1.591 68 residues pruned to eliminate duplicates Z: 13 38.086 2.359 1.292 0.906 1.000 0.833 CB 1.446 13 residues pruned to eliminate duplicates Z: 19 9.877 2.066 0.122 0.414 0.833 0.667 CB 1.318 19 residues pruned to eliminate duplicates Z: 13 17.378 2.002 0.319 0.861 1.000 0.917 CB 1.396 13 residues pruned to eliminate duplicates Z: 15 18.612 2.235 0.644 0.450 0.857 0.500 CB 1.662 15 residues pruned to eliminate duplicates Z: 14 15.799 2.066 0.421 0.797 0.923 0.615 CB 1.247 14 residues pruned to eliminate duplicates Z: 21 28.151 2.214 0.608 0.898 0.900 0.550 CB 1.405 21 residues pruned to eliminate duplicates Z: 16 13.781 2.012 0.656 0.313 0.933 0.533 CA 1.408 16 residues pruned to eliminate duplicates Z: 11 16.894 2.191 0.481 0.684 0.900 0.700 CB 1.546 11 residues pruned to eliminate duplicates Z: 26 33.120 2.164 0.923 0.630 0.960 0.560 CB 1.468 26 residues pruned to eliminate duplicates Z: 11 14.168 1.973 0.339 0.786 0.900 0.700 CA 1.465 11 residues pruned to eliminate duplicates Z: 24 14.797 2.152 0.219 0.382 0.870 0.391 CB 1.534 24 residues pruned to eliminate duplicates Z: 83 42.114 2.116 0.535 0.591 0.939 0.537 CB 1.398 83 residues pruned to eliminate duplicates Z: 15 16.529 2.043 0.363 0.896 1.000 0.571 CB 1.136 15 residues pruned to eliminate duplicates Z: 15 15.491 1.997 0.383 0.923 1.000 0.643 CB 1.054 15 residues pruned to eliminate duplicates Z: 12 12.381 1.706 0.400 0.902 1.000 0.636 CB 1.114 12 residues pruned to eliminate duplicates Z: 37 29.797 2.173 0.495 0.564 0.917 0.583 CB 1.567 37 residues pruned to eliminate duplicates Z: 12 16.730 2.042 0.396 0.901 1.000 0.818 CB 1.262 12 residues pruned to eliminate duplicates Z: 116 57.285 2.254 0.588 0.535 0.930 0.557 CB 1.550 116 residues pruned to eliminate duplicates Z: 11 8.639 1.735 0.363 0.813 0.700 0.600 CB 1.257 11 residues pruned to eliminate duplicates Z: 11 4.202 2.160 0.047 0.203 0.700 0.400 CB 1.194 11 residues pruned to eliminate duplicates Z: 14 17.683 1.980 0.419 0.839 1.000 0.615 CB 1.304 14 residues pruned to eliminate duplicates Z: 7 8.690 1.791 0.808 0.663 0.833 0.500 CB 1.131 7 residues pruned to eliminate duplicates Z: 11 9.289 1.814 -0.097 0.904 1.000 1.000 CB 1.278 11 residues pruned to eliminate duplicates Z: 77 35.342 2.085 0.287 0.599 0.921 0.632 CB 1.492 67 residues pruned to eliminate duplicates Z: 7 7.537 1.646 0.112 0.798 1.000 0.833 CB 1.294 7 residues pruned to eliminate duplicates Z: 53 39.157 2.362 0.318 0.575 0.942 0.654 CB 1.721 53 residues pruned to eliminate duplicates Z: 17 7.641 1.985 0.084 0.375 0.938 0.500 CB 1.082 17 residues pruned to eliminate duplicates Z: 67 35.583 2.174 0.419 0.491 0.955 0.500 CB 1.500 67 residues pruned to eliminate duplicates Z: 87 43.254 2.222 0.428 0.562 0.930 0.465 CB 1.487 87 residues pruned to eliminate duplicates Z: 12 13.175 1.705 0.499 0.832 1.000 0.727 CB 1.166 12 residues pruned to eliminate duplicates Z: 9 12.880 2.103 0.513 0.726 1.000 0.625 CB 1.168 9 residues pruned to eliminate duplicates Z: 41 33.457 2.237 0.613 0.518 0.925 0.600 CB 1.558 41 residues pruned to eliminate duplicates Z: 37 29.793 2.100 0.666 0.625 0.917 0.556 CB 1.376 37 residues pruned to eliminate duplicates Z: 15 17.410 1.995 0.410 0.780 1.000 0.643 CB 1.292 15 residues pruned to eliminate duplicates Z: 12 11.657 2.076 0.288 0.898 0.727 0.455 CB 1.293 12 residues pruned to eliminate duplicates Z: 17 19.559 2.084 0.106 0.869 1.000 0.875 CA 1.549 17 residues pruned to eliminate duplicates Z: 6 6.063 1.704 0.308 0.700 0.800 0.600 CA 1.267 6 residues pruned to eliminate duplicates Z: 12 11.537 2.012 -0.061 0.931 1.000 0.909 CB 1.286 12 residues pruned to eliminate duplicates Z: 17 25.228 2.250 0.307 0.882 1.000 0.750 CB 1.552 17 residues pruned to eliminate duplicates Z: 14 15.303 2.401 0.398 0.444 0.923 0.615 CB 1.451 14 residues pruned to eliminate duplicates Z: 13 17.423 1.813 0.586 0.868 1.000 0.583 CB 1.279 13 residues pruned to eliminate duplicates Z: 33 17.566 2.166 0.455 0.403 0.938 0.594 CB 1.164 33 residues pruned to eliminate duplicates Z: 22 15.631 2.071 0.443 0.452 0.952 0.476 CB 1.258 22 residues pruned to eliminate duplicates Z: 14 17.966 1.973 0.576 0.863 0.923 0.615 CB 1.273 14 residues pruned to eliminate duplicates Z: 16 19.712 1.969 0.450 0.914 1.000 0.867 CB 1.261 16 residues pruned to eliminate duplicates Z: 38 18.763 1.997 0.339 0.491 0.919 0.595 CB 1.267 34 residues pruned to eliminate duplicates Z: 22 28.303 2.127 0.405 0.912 0.952 0.762 CB 1.536 22 residues pruned to eliminate duplicates Z: 15 15.850 2.094 0.187 0.842 1.000 0.714 CA 1.271 15 residues pruned to eliminate duplicates Z: 6 10.555 2.293 0.279 0.712 0.800 0.600 CA 1.659 6 residues pruned to eliminate duplicates Z: 21 36.394 2.133 0.663 0.944 1.000 0.800 CB 1.589 21 residues pruned to eliminate duplicates Z: 10 13.270 2.071 0.346 0.901 1.000 0.778 CB 1.133 10 residues pruned to eliminate duplicates Z: 14 19.069 2.012 0.487 0.840 1.000 0.615 CB 1.319 14 residues pruned to eliminate duplicates Z: 33 18.400 2.053 0.270 0.493 0.906 0.656 CB 1.386 33 residues pruned to eliminate duplicates Z: 12 14.362 1.765 0.519 0.884 1.000 0.818 CB 1.166 12 residues pruned to eliminate duplicates Z: 14 25.146 2.255 0.641 0.853 0.923 0.692 CA 1.509 14 residues pruned to eliminate duplicates Z: 18 11.641 1.697 0.461 0.582 0.882 0.588 CB 1.192 14 residues pruned to eliminate duplicates Z: 12 9.995 1.703 0.091 0.870 1.000 0.818 CB 1.184 12 residues pruned to eliminate duplicates Z: 12 7.557 2.155 0.355 0.421 0.818 0.182 CB 1.036 12 residues pruned to eliminate duplicates Z: 33 19.447 1.982 0.442 0.484 0.875 0.594 CB 1.397 33 residues pruned to eliminate duplicates Z: 56 34.375 2.198 0.544 0.556 0.909 0.473 CB 1.423 56 residues pruned to eliminate duplicates Z: 9 10.192 2.014 0.326 0.609 1.000 0.500 CB 1.217 9 residues pruned to eliminate duplicates Z: 6 6.566 1.930 0.463 0.622 1.000 1.000 CA 0.926 6 residues pruned to eliminate duplicates Z: 9 12.984 1.960 0.144 0.913 1.000 1.000 CB 1.449 9 residues pruned to eliminate duplicates Z: 7 4.905 1.774 -0.114 0.728 1.000 0.833 CB 1.037 7 residues pruned to eliminate duplicates Z: 11 11.418 2.143 0.242 0.395 0.900 0.700 CB 1.685 11 residues pruned to eliminate duplicates Z: 28 20.826 2.012 0.222 0.741 0.963 0.630 CB 1.364 28 residues pruned to eliminate duplicates Z: 40 28.162 1.976 0.631 0.611 0.974 0.615 CB 1.292 40 residues pruned to eliminate duplicates Z: 69 49.456 2.374 0.562 0.525 0.941 0.632 CB 1.676 69 residues pruned to eliminate duplicates Z: 28 24.715 2.160 0.474 0.571 0.889 0.704 CB 1.568 28 residues pruned to eliminate duplicates Z: 8 9.385 1.873 0.103 0.864 1.000 0.714 CB 1.259 8 residues pruned to eliminate duplicates Z: 39 49.354 2.439 0.756 0.585 0.974 0.632 CB 1.770 39 residues pruned to eliminate duplicates Z: 9 5.569 1.561 0.377 0.404 0.875 0.625 CA 1.158 9 residues pruned to eliminate duplicates Z: 10 13.910 1.956 0.434 0.787 1.000 0.889 CB 1.285 10 residues pruned to eliminate duplicates Z: 19 26.809 2.092 0.556 0.829 1.000 0.611 CB 1.461 19 residues pruned to eliminate duplicates Z: 96 46.823 2.203 0.502 0.514 0.937 0.558 CB 1.528 96 residues pruned to eliminate duplicates Z: 13 17.461 1.708 0.701 0.930 1.000 0.417 CB 1.213 13 residues pruned to eliminate duplicates Z: 35 31.564 2.114 0.686 0.688 0.941 0.559 CB 1.359 35 residues pruned to eliminate duplicates Z: 8 6.145 2.035 -0.156 0.532 1.000 0.714 CA 1.310 8 residues pruned to eliminate duplicates Z: 12 11.623 2.143 0.482 0.491 0.818 0.545 CB 1.360 12 residues pruned to eliminate duplicates Z: 8 15.152 1.931 0.584 0.870 0.857 0.857 CA 1.594 8 residues pruned to eliminate duplicates Z: 8 12.320 1.843 0.562 0.819 0.857 0.571 N 1.431 8 residues pruned to eliminate duplicates Z: 16 13.674 1.906 0.462 0.612 0.933 0.467 CB 1.220 16 residues pruned to eliminate duplicates Z: 13 16.101 1.887 0.689 0.612 0.917 0.833 CB 1.431 13 residues pruned to eliminate duplicates Z: 49 27.309 2.117 0.453 0.501 0.917 0.562 CB 1.396 49 residues pruned to eliminate duplicates Z: 13 14.969 2.067 0.105 0.910 1.000 0.750 CB 1.342 13 residues pruned to eliminate duplicates Z: 22 28.693 2.255 0.339 0.770 1.000 0.619 CA 1.632 22 residues pruned to eliminate duplicates Z: 7 7.012 1.634 0.112 0.812 1.000 0.667 CB 1.201 7 residues pruned to eliminate duplicates Z: 60 23.543 2.001 0.277 0.454 0.881 0.593 CB 1.427 62 residues pruned to eliminate duplicates Z: 64 34.455 2.106 0.584 0.542 0.905 0.540 CB 1.380 64 residues pruned to eliminate duplicates Z: 7 6.529 1.754 0.252 0.676 1.000 0.667 CA 1.032 7 residues pruned to eliminate duplicates Z: 30 26.813 2.145 0.456 0.605 1.000 0.621 CA 1.443 30 residues pruned to eliminate duplicates Z: 30 14.838 1.966 0.398 0.372 0.931 0.483 CB 1.235 30 residues pruned to eliminate duplicates Z: 15 8.263 1.795 0.413 0.338 0.786 0.500 CB 1.323 15 residues pruned to eliminate duplicates Z: 14 8.481 1.950 0.056 0.757 0.846 0.538 CB 1.074 14 residues pruned to eliminate duplicates Z: 7 13.856 1.939 0.477 0.798 1.000 0.833 N 1.522 7 residues pruned to eliminate duplicates Z: 11 14.347 1.810 0.485 0.824 1.000 0.400 CB 1.275 11 residues pruned to eliminate duplicates Z: 14 16.733 2.156 0.284 0.837 0.923 0.538 CA 1.359 14 residues pruned to eliminate duplicates Z: 7 20.175 2.067 0.732 0.866 1.000 1.000 CB 1.684 7 residues pruned to eliminate duplicates Z: 9 16.294 1.843 0.486 0.869 1.000 0.750 CB 1.537 9 residues pruned to eliminate duplicates Z: 20 31.548 2.273 0.317 0.946 1.000 0.947 CB 1.672 20 residues pruned to eliminate duplicates Z: 6 4.780 1.323 0.766 0.705 1.000 0.400 CB 0.759 Z: 17 16.944 2.072 0.123 0.844 1.000 0.938 CB 1.354 17 residues pruned to eliminate duplicates Z: 119 46.697 2.233 0.346 0.540 0.932 0.534 CB 1.475 119 residues pruned to eliminate duplicates Z: 113 50.208 2.258 0.452 0.524 0.929 0.491 CB 1.522 113 residues pruned to eliminate duplicates 7 1.884 1.424 -0.125 0.311 0.833 0.667 N 0.914 ? Z: 83 50.345 2.316 0.588 0.536 0.939 0.622 CB 1.554 83 residues pruned to eliminate duplicates Z: 22 25.672 2.305 0.720 0.591 0.857 0.667 CB 1.512 22 residues pruned to eliminate duplicates Z: 46 23.416 2.203 0.401 0.420 0.844 0.511 CB 1.457 46 residues pruned to eliminate duplicates Z: 14 14.121 2.050 0.325 0.797 0.923 0.769 CB 1.205 14 residues pruned to eliminate duplicates Z: 35 16.667 2.138 0.302 0.372 0.882 0.559 CB 1.334 35 residues pruned to eliminate duplicates Z: 13 22.132 2.271 0.233 0.938 1.000 0.750 CB 1.587 13 residues pruned to eliminate duplicates Z: 10 6.970 1.826 0.210 0.520 1.000 0.667 CB 1.032 10 residues pruned to eliminate duplicates Z: 8 11.697 2.074 0.487 0.830 1.000 0.714 CB 1.078 8 residues pruned to eliminate duplicates Z: 175 68.831 2.325 0.553 0.540 0.885 0.506 CB 1.571 175 residues pruned to eliminate duplicates Z: 53 29.771 2.111 0.585 0.513 0.865 0.538 CB 1.408 53 residues pruned to eliminate duplicates Z: 9 11.416 1.949 0.382 0.597 1.000 0.750 CB 1.366 9 residues pruned to eliminate duplicates Z: 12 12.402 2.091 -0.047 0.895 1.000 0.909 CB 1.345 12 residues pruned to eliminate duplicates Z: 7 6.193 1.625 0.539 0.722 0.833 0.500 CB 0.993 7 residues pruned to eliminate duplicates Z: 168 71.328 2.290 0.602 0.555 0.910 0.599 CB 1.568 168 residues pruned to eliminate duplicates Z: 27 17.858 2.034 0.423 0.419 0.923 0.500 CB 1.426 27 residues pruned to eliminate duplicates Z: 80 48.849 2.285 0.521 0.617 0.911 0.532 CB 1.553 80 residues pruned to eliminate duplicates Z: 48 25.977 2.152 0.492 0.492 0.894 0.553 CB 1.332 48 residues pruned to eliminate duplicates Z: 20 28.122 2.192 0.612 0.585 1.000 0.789 CB 1.682 20 residues pruned to eliminate duplicates Z: 7 2.769 1.447 0.183 0.376 0.833 0.667 CB 0.905 Z: 16 11.208 1.833 0.462 0.405 0.933 0.667 CB 1.279 16 residues pruned to eliminate duplicates Z: 12 12.657 2.127 0.278 0.611 0.818 0.364 CB 1.544 12 residues pruned to eliminate duplicates Z: 32 19.235 1.900 0.396 0.648 0.903 0.581 CB 1.256 32 residues pruned to eliminate duplicates Z: 66 43.066 2.235 0.625 0.549 0.908 0.523 CB 1.545 66 residues pruned to eliminate duplicates Z: 50 31.880 2.091 0.322 0.702 0.918 0.735 CA 1.493 50 residues pruned to eliminate duplicates Z: 228 78.114 2.277 0.599 0.540 0.899 0.537 CB 1.523 228 residues pruned to eliminate duplicates Z: 8 8.403 1.788 0.042 0.747 0.857 0.429 N 1.595 8 residues pruned to eliminate duplicates Z: 9 3.880 1.710 0.430 0.398 0.750 0.375 CB 0.833 9 residues pruned to eliminate duplicates Z: 14 14.612 1.900 0.283 0.860 1.000 0.846 CB 1.223 14 residues pruned to eliminate duplicates Z: 62 41.943 2.273 0.622 0.548 0.902 0.623 CB 1.541 62 residues pruned to eliminate duplicates Z: 7 3.015 1.363 0.360 0.579 0.667 0.333 CA 0.923 Z: 12 17.914 2.094 0.473 0.874 1.000 0.818 CB 1.274 12 residues pruned to eliminate duplicates Z: 15 11.543 1.803 0.340 0.438 0.929 0.429 CB 1.466 15 residues pruned to eliminate duplicates Z: 13 19.208 2.112 0.622 0.573 1.000 0.333 CA 1.508 13 residues pruned to eliminate duplicates Z: 13 16.435 2.016 0.269 0.873 1.000 0.833 CB 1.351 13 residues pruned to eliminate duplicates Z: 10 10.793 1.969 0.367 0.413 1.000 0.667 CA 1.464 10 residues pruned to eliminate duplicates Z: 10 14.282 2.147 0.538 0.830 0.889 0.667 CB 1.219 10 residues pruned to eliminate duplicates Z: 36 21.548 2.034 0.262 0.681 0.886 0.571 CB 1.357 36 residues pruned to eliminate duplicates Z: 7 7.866 1.881 0.182 0.690 0.833 0.667 CB 1.456 7 residues pruned to eliminate duplicates Z: 178 70.469 2.313 0.538 0.549 0.893 0.565 CB 1.590 185 residues pruned to eliminate duplicates Z: 7 10.991 1.939 0.247 0.870 1.000 0.667 CB 1.355 7 residues pruned to eliminate duplicates Z: 8 9.488 1.690 0.172 0.879 1.000 0.714 CA 1.313 8 residues pruned to eliminate duplicates Z: 25 19.377 2.017 0.212 0.640 0.917 0.750 CB 1.548 25 residues pruned to eliminate duplicates Z: 15 22.355 2.274 0.310 0.907 1.000 1.000 CB 1.426 15 residues pruned to eliminate duplicates Z: 10 14.845 2.114 0.403 0.716 1.000 0.778 CA 1.372 10 residues pruned to eliminate duplicates Z: 13 13.722 1.715 0.445 0.869 1.000 0.750 CB 1.168 13 residues pruned to eliminate duplicates Z: 180 73.441 2.315 0.583 0.549 0.894 0.564 CB 1.598 180 residues pruned to eliminate duplicates Z: 87 43.211 2.275 0.411 0.524 0.919 0.616 CB 1.544 87 residues pruned to eliminate duplicates Z: 10 5.524 1.332 0.735 0.873 0.889 0.556 CB 0.653 6 residues pruned to eliminate duplicates Z: 76 48.396 2.274 0.514 0.562 0.973 0.587 CB 1.570 76 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 86 47.979 2.292 0.544 0.533 0.929 0.659 CB 1.531 86 residues pruned to eliminate duplicates Z: 34 24.345 2.207 0.345 0.604 0.848 0.697 CB 1.525 34 residues pruned to eliminate duplicates Z: 84 52.221 2.343 0.563 0.528 0.940 0.590 CB 1.621 84 residues pruned to eliminate duplicates Z: 96 53.419 2.283 0.531 0.540 0.916 0.600 CB 1.646 96 residues pruned to eliminate duplicates Z: 166 69.359 2.347 0.463 0.576 0.915 0.588 CB 1.597 166 residues pruned to eliminate duplicates Z: 10 21.382 2.342 0.504 0.754 0.889 0.778 CA 1.816 10 residues pruned to eliminate duplicates Z: 52 51.532 2.361 0.619 0.634 0.961 0.647 CA 1.733 52 residues pruned to eliminate duplicates Z: 29 28.431 2.305 0.545 0.474 0.964 0.643 CB 1.607 29 residues pruned to eliminate duplicates Z: 118 57.226 2.312 0.412 0.564 0.923 0.556 CB 1.650 118 residues pruned to eliminate duplicates Z: 51 49.807 2.345 0.573 0.584 0.980 0.700 CA 1.797 51 residues pruned to eliminate duplicates Z: 83 52.072 2.300 0.556 0.541 0.951 0.634 CB 1.624 83 residues pruned to eliminate duplicates Z: 77 32.145 2.183 0.382 0.458 0.882 0.539 CB 1.447 77 residues pruned to eliminate duplicates Z: 142 62.505 2.329 0.474 0.560 0.908 0.539 CB 1.594 142 residues pruned to eliminate duplicates Z: 96 50.022 2.291 0.527 0.521 0.916 0.589 CB 1.569 96 residues pruned to eliminate duplicates Z: 38 31.727 2.292 0.536 0.485 0.892 0.568 CA 1.687 38 residues pruned to eliminate duplicates Z: 52 57.519 2.381 0.735 0.621 0.980 0.706 CB 1.774 52 residues pruned to eliminate duplicates Z: 78 47.261 2.313 0.535 0.519 0.935 0.623 CB 1.592 78 residues pruned to eliminate duplicates Z: 68 49.479 2.401 0.543 0.568 0.881 0.567 CB 1.735 68 residues pruned to eliminate duplicates Z: 37 29.461 2.204 0.741 0.469 0.889 0.528 CB 1.486 37 residues pruned to eliminate duplicates Z: 31 32.494 2.329 0.587 0.541 0.933 0.567 CB 1.652 31 residues pruned to eliminate duplicates Z: 47 44.505 2.335 0.670 0.562 0.913 0.565 CA 1.736 47 residues pruned to eliminate duplicates Z: 89 46.903 2.321 0.531 0.487 0.898 0.534 CB 1.589 89 residues pruned to eliminate duplicates Z: 60 49.975 2.304 0.729 0.585 0.932 0.644 CB 1.615 60 residues pruned to eliminate duplicates Z: 98 49.412 2.228 0.630 0.529 0.897 0.598 CB 1.497 54 residues pruned to eliminate duplicates Z: 15 29.319 2.311 0.879 0.863 0.929 0.571 CB 1.426 15 residues pruned to eliminate duplicates Z: 50 50.142 2.382 0.694 0.577 0.959 0.592 CB 1.719 50 residues pruned to eliminate duplicates Z: 84 48.814 2.274 0.641 0.524 0.904 0.590 CB 1.552 84 residues pruned to eliminate duplicates Z: 66 54.143 2.357 0.580 0.583 0.969 0.600 CB 1.719 66 residues pruned to eliminate duplicates Z: 31 29.908 2.265 0.548 0.542 0.933 0.600 CB 1.601 31 residues pruned to eliminate duplicates Z: 70 51.158 2.394 0.575 0.551 0.913 0.696 CB 1.703 70 residues pruned to eliminate duplicates Z: 96 54.082 2.281 0.661 0.504 0.905 0.537 CB 1.612 96 residues pruned to eliminate duplicates Z: 80 42.140 2.279 0.594 0.530 0.835 0.570 CB 1.517 80 residues pruned to eliminate duplicates Z: 65 55.178 2.405 0.719 0.558 0.938 0.625 CB 1.682 65 residues pruned to eliminate duplicates Z: 80 45.210 2.288 0.594 0.493 0.899 0.557 CB 1.563 80 residues pruned to eliminate duplicates Z: 94 47.688 2.321 0.467 0.514 0.903 0.548 CB 1.585 94 residues pruned to eliminate duplicates Z: 59 51.052 2.385 0.589 0.553 0.966 0.483 CA 1.740 59 residues pruned to eliminate duplicates Z: 122 60.159 2.304 0.559 0.539 0.950 0.479 CB 1.542 122 residues pruned to eliminate duplicates Z: 172 65.243 2.291 0.455 0.543 0.912 0.544 CB 1.573 172 residues pruned to eliminate duplicates Z: 77 50.984 2.361 0.589 0.515 0.947 0.579 CB 1.620 77 residues pruned to eliminate duplicates Z: 56 53.400 2.406 0.601 0.585 1.000 0.582 CB 1.722 56 residues pruned to eliminate duplicates Z: 94 51.070 2.318 0.559 0.499 0.903 0.505 CB 1.623 94 residues pruned to eliminate duplicates Z: 111 60.490 2.323 0.559 0.552 0.936 0.582 CB 1.616 111 residues pruned to eliminate duplicates Z: 98 54.468 2.326 0.607 0.511 0.918 0.536 CB 1.596 98 residues pruned to eliminate duplicates Z: 168 72.694 2.325 0.500 0.586 0.928 0.581 CB 1.601 168 residues pruned to eliminate duplicates Z: 72 56.323 2.362 0.734 0.563 0.930 0.563 CB 1.651 72 residues pruned to eliminate duplicates Z: 76 50.209 2.340 0.688 0.503 0.933 0.507 CB 1.567 76 residues pruned to eliminate duplicates Z: 95 57.385 2.311 0.646 0.528 0.926 0.532 CB 1.635 95 residues pruned to eliminate duplicates Z: 89 48.608 2.295 0.602 0.498 0.898 0.557 CB 1.573 89 residues pruned to eliminate duplicates Z: 55 43.194 2.309 0.698 0.523 0.907 0.574 CB 1.614 55 residues pruned to eliminate duplicates Z: 75 51.325 2.367 0.685 0.525 0.905 0.554 CB 1.612 75 residues pruned to eliminate duplicates Z: 72 41.872 2.287 0.559 0.495 0.873 0.535 CB 1.605 72 residues pruned to eliminate duplicates Z: 61 49.545 2.360 0.699 0.557 0.900 0.567 CB 1.676 61 residues pruned to eliminate duplicates Z: 70 53.958 2.378 0.766 0.521 0.928 0.609 CB 1.633 70 residues pruned to eliminate duplicates Z: 83 56.804 2.360 0.663 0.561 0.915 0.622 CB 1.646 83 residues pruned to eliminate duplicates Z: 116 55.210 2.265 0.534 0.504 0.939 0.591 CB 1.572 116 residues pruned to eliminate duplicates Z: 121 54.170 2.307 0.481 0.543 0.892 0.583 CB 1.556 121 residues pruned to eliminate duplicates Z: 64 51.286 2.417 0.657 0.560 0.905 0.603 CB 1.682 64 residues pruned to eliminate duplicates Z: 11 12.840 2.412 0.384 0.437 0.900 0.600 CB 1.442 11 residues pruned to eliminate duplicates Z: 53 51.475 2.413 0.643 0.568 0.962 0.673 CB 1.753 53 residues pruned to eliminate duplicates Z: 64 53.291 2.371 0.642 0.556 0.952 0.635 CB 1.715 64 residues pruned to eliminate duplicates Z: 94 47.378 2.296 0.526 0.491 0.903 0.473 CB 1.565 94 residues pruned to eliminate duplicates Z: 87 47.166 2.320 0.615 0.484 0.884 0.512 CB 1.561 87 residues pruned to eliminate duplicates Z: 88 44.099 2.292 0.463 0.480 0.908 0.575 CB 1.583 88 residues pruned to eliminate duplicates Z: 95 52.594 2.326 0.523 0.506 0.904 0.564 CB 1.684 95 residues pruned to eliminate duplicates Z: 34 23.529 2.292 0.544 0.380 0.939 0.424 CB 1.399 34 residues pruned to eliminate duplicates Z: 83 50.093 2.368 0.545 0.519 0.927 0.537 CB 1.602 83 residues pruned to eliminate duplicates Z: 125 60.139 2.354 0.508 0.529 0.903 0.532 CB 1.636 125 residues pruned to eliminate duplicates Z: 164 66.041 2.328 0.471 0.528 0.933 0.540 CB 1.575 164 residues pruned to eliminate duplicates Z: 24 17.508 2.279 0.455 0.400 0.913 0.478 CB 1.340 24 residues pruned to eliminate duplicates Z: 171 59.548 2.283 0.439 0.501 0.888 0.524 CB 1.564 171 residues pruned to eliminate duplicates Z: 116 47.152 2.229 0.381 0.527 0.939 0.522 CB 1.482 116 residues pruned to eliminate duplicates Z: 42 20.331 2.198 0.437 0.380 0.878 0.463 CB 1.301 42 residues pruned to eliminate duplicates Z: 61 38.148 2.318 0.416 0.468 0.933 0.517 CB 1.660 61 residues pruned to eliminate duplicates Z: 59 40.504 2.326 0.567 0.485 0.931 0.569 CB 1.591 59 residues pruned to eliminate duplicates Z: 68 33.849 2.237 0.471 0.505 0.836 0.478 CB 1.496 68 residues pruned to eliminate duplicates Z: 92 54.046 2.325 0.540 0.512 0.956 0.549 CB 1.636 92 residues pruned to eliminate duplicates Z: 34 15.517 2.141 0.272 0.359 0.818 0.394 CB 1.411 34 residues pruned to eliminate duplicates Z: 174 69.578 2.294 0.530 0.532 0.942 0.520 CB 1.550 174 residues pruned to eliminate duplicates Z: 68 31.489 2.208 0.396 0.508 0.851 0.433 CB 1.455 68 residues pruned to eliminate duplicates Z: 93 54.853 2.346 0.550 0.513 0.924 0.511 CB 1.681 93 residues pruned to eliminate duplicates Z: 183 69.264 2.271 0.512 0.525 0.934 0.582 CB 1.562 183 residues pruned to eliminate duplicates Z: 69 37.790 2.271 0.468 0.438 0.897 0.485 CB 1.633 69 residues pruned to eliminate duplicates Z: 94 53.181 2.347 0.483 0.514 0.946 0.559 CB 1.651 94 residues pruned to eliminate duplicates Z: 181 67.297 2.286 0.504 0.525 0.894 0.583 CB 1.591 181 residues pruned to eliminate duplicates Z: 26 14.225 2.160 0.151 0.454 0.880 0.520 CB 1.363 26 residues pruned to eliminate duplicates Z: 113 51.282 2.266 0.466 0.550 0.911 0.616 CB 1.526 113 residues pruned to eliminate duplicates Z: 34 15.586 2.155 0.426 0.393 0.727 0.364 CB 1.359 34 residues pruned to eliminate duplicates Z: 179 74.149 2.312 0.526 0.549 0.938 0.579 CB 1.601 179 residues pruned to eliminate duplicates Z: 27 16.018 2.133 0.332 0.413 0.846 0.346 CB 1.431 27 residues pruned to eliminate duplicates Z: 132 59.896 2.294 0.549 0.526 0.901 0.550 CB 1.593 132 residues pruned to eliminate duplicates Z: 109 54.604 2.292 0.589 0.512 0.898 0.546 CB 1.587 109 residues pruned to eliminate duplicates Z: 140 54.609 2.312 0.417 0.501 0.871 0.547 CB 1.623 140 residues pruned to eliminate duplicates Z: 87 45.019 2.261 0.431 0.581 0.919 0.570 CB 1.511 87 residues pruned to eliminate duplicates Z: 126 61.334 2.342 0.543 0.543 0.888 0.480 CB 1.639 126 residues pruned to eliminate duplicates Z: 154 61.278 2.289 0.483 0.519 0.902 0.569 CB 1.587 154 residues pruned to eliminate duplicates Z: 65 36.301 2.283 0.452 0.530 0.859 0.484 CB 1.547 65 residues pruned to eliminate duplicates Z: 127 64.989 2.358 0.568 0.542 0.913 0.563 CB 1.646 127 residues pruned to eliminate duplicates Z: 74 46.697 2.294 0.453 0.604 0.945 0.534 CB 1.571 74 residues pruned to eliminate duplicates Z: 35 33.420 2.311 0.505 0.698 0.912 0.618 CB 1.509 35 residues pruned to eliminate duplicates Z: 35 35.495 2.329 0.502 0.685 0.941 0.588 CB 1.560 35 residues pruned to eliminate duplicates Z: 36 33.687 2.330 0.478 0.668 0.914 0.543 CB 1.548 36 residues pruned to eliminate duplicates Z: 87 46.254 2.215 0.496 0.554 0.953 0.535 CB 1.497 87 residues pruned to eliminate duplicates Z: 37 30.993 2.288 0.373 0.637 0.917 0.556 CB 1.578 37 residues pruned to eliminate duplicates Z: 125 47.274 2.264 0.382 0.523 0.887 0.556 CB 1.496 125 residues pruned to eliminate duplicates Z: 37 39.946 2.331 0.641 0.690 0.917 0.583 CB 1.596 37 residues pruned to eliminate duplicates Z: 60 35.583 2.287 0.496 0.545 0.847 0.492 CB 1.530 60 residues pruned to eliminate duplicates Z: 24 26.545 2.332 0.597 0.692 0.783 0.522 CB 1.593 24 residues pruned to eliminate duplicates Z: 28 25.969 2.303 0.537 0.651 0.778 0.481 CB 1.577 28 residues pruned to eliminate duplicates Z: 38 34.094 2.288 0.495 0.648 0.919 0.541 CB 1.554 38 residues pruned to eliminate duplicates Z: 63 36.596 2.271 0.474 0.537 0.855 0.484 CB 1.566 63 residues pruned to eliminate duplicates Z: 130 65.572 2.329 0.582 0.556 0.915 0.558 CB 1.622 130 residues pruned to eliminate duplicates Z: 78 44.456 2.287 0.373 0.633 0.922 0.571 CB 1.544 78 residues pruned to eliminate duplicates Z: 68 30.262 2.247 0.438 0.510 0.776 0.418 CB 1.460 68 residues pruned to eliminate duplicates Z: 130 49.628 2.257 0.493 0.516 0.868 0.535 CB 1.470 130 residues pruned to eliminate duplicates Z: 40 24.312 2.190 0.484 0.509 0.769 0.436 CB 1.544 40 residues pruned to eliminate duplicates Z: 80 42.148 2.248 0.453 0.561 0.911 0.519 CB 1.501 80 residues pruned to eliminate duplicates Z: 148 71.042 2.337 0.547 0.578 0.939 0.558 CB 1.601 148 residues pruned to eliminate duplicates Z: 90 44.491 2.241 0.428 0.589 0.899 0.640 CB 1.505 90 residues pruned to eliminate duplicates Z: 24 29.618 2.424 0.727 0.601 0.783 0.522 CB 1.712 24 residues pruned to eliminate duplicates Z: 63 41.334 2.248 0.542 0.505 0.952 0.629 CB 1.584 63 residues pruned to eliminate duplicates Z: 78 34.486 2.226 0.437 0.503 0.844 0.442 CB 1.450 78 residues pruned to eliminate duplicates Z: 64 33.478 2.205 0.415 0.502 0.905 0.683 CB 1.492 64 residues pruned to eliminate duplicates Z: 25 30.341 2.362 0.931 0.651 0.750 0.542 CB 1.573 25 residues pruned to eliminate duplicates Z: 41 34.226 2.231 0.688 0.602 0.875 0.550 CB 1.490 41 residues pruned to eliminate duplicates Z: 74 47.060 2.283 0.540 0.619 0.904 0.616 CB 1.549 74 residues pruned to eliminate duplicates Z: 122 47.049 2.232 0.445 0.504 0.893 0.512 CB 1.480 122 residues pruned to eliminate duplicates Z: 62 32.379 2.249 0.309 0.492 0.934 0.607 CB 1.518 62 residues pruned to eliminate duplicates Z: 89 43.831 2.234 0.484 0.583 0.886 0.602 CB 1.469 89 residues pruned to eliminate duplicates Z: 83 42.228 2.276 0.415 0.565 0.878 0.463 CB 1.549 83 residues pruned to eliminate duplicates Z: 126 43.595 2.172 0.381 0.486 0.912 0.496 CB 1.447 126 residues pruned to eliminate duplicates Z: 85 43.133 2.256 0.539 0.551 0.881 0.500 CB 1.464 85 residues pruned to eliminate duplicates Z: 183 69.814 2.292 0.502 0.528 0.912 0.544 CB 1.604 183 residues pruned to eliminate duplicates Z: 56 30.978 2.120 0.407 0.510 0.927 0.600 CB 1.496 56 residues pruned to eliminate duplicates Z: 90 45.932 2.243 0.475 0.571 0.933 0.506 CB 1.473 90 residues pruned to eliminate duplicates Z: 55 30.667 2.140 0.446 0.485 0.963 0.574 CB 1.421 55 residues pruned to eliminate duplicates Z: 104 47.934 2.311 0.521 0.528 0.874 0.524 CB 1.496 104 residues pruned to eliminate duplicates Z: 74 45.153 2.288 0.610 0.548 0.877 0.521 CB 1.561 74 residues pruned to eliminate duplicates Z: 180 72.364 2.299 0.536 0.532 0.927 0.514 CB 1.602 180 residues pruned to eliminate duplicates Z: 114 47.722 2.246 0.447 0.545 0.894 0.558 CB 1.478 114 residues pruned to eliminate duplicates Z: 90 42.273 2.210 0.496 0.572 0.865 0.438 CB 1.463 90 residues pruned to eliminate duplicates Z: 77 43.210 2.277 0.492 0.562 0.895 0.513 CB 1.537 77 residues pruned to eliminate duplicates Z: 74 44.844 2.291 0.542 0.589 0.877 0.452 CB 1.556 74 residues pruned to eliminate duplicates Z: 181 66.929 2.301 0.504 0.522 0.906 0.561 CB 1.558 181 residues pruned to eliminate duplicates Z: 83 44.755 2.227 0.514 0.549 0.939 0.512 CB 1.488 83 residues pruned to eliminate duplicates Z: 91 50.087 2.255 0.556 0.561 0.933 0.467 CB 1.519 91 residues pruned to eliminate duplicates Z: 180 73.826 2.322 0.568 0.553 0.894 0.564 CB 1.609 180 residues pruned to eliminate duplicates Z: 105 49.482 2.252 0.552 0.565 0.894 0.500 CB 1.458 105 residues pruned to eliminate duplicates Z: 54 34.246 2.162 0.564 0.515 0.943 0.566 CB 1.453 54 residues pruned to eliminate duplicates Z: 164 66.023 2.340 0.479 0.539 0.896 0.528 CB 1.606 164 residues pruned to eliminate duplicates Z: 77 51.781 2.310 0.577 0.622 0.934 0.526 CB 1.556 77 residues pruned to eliminate duplicates Z: 89 51.545 2.255 0.552 0.581 0.943 0.500 CB 1.540 89 residues pruned to eliminate duplicates Z: 122 43.114 2.212 0.398 0.496 0.868 0.471 CB 1.467 122 residues pruned to eliminate duplicates Z: 82 44.064 2.252 0.532 0.618 0.852 0.580 CB 1.491 82 residues pruned to eliminate duplicates Z: 63 35.791 2.210 0.525 0.485 0.919 0.581 CB 1.489 63 residues pruned to eliminate duplicates Z: 47 32.636 2.252 0.473 0.535 0.957 0.565 CB 1.465 47 residues pruned to eliminate duplicates Z: 181 66.081 2.282 0.479 0.527 0.906 0.533 CB 1.569 181 residues pruned to eliminate duplicates Z: 89 43.843 2.241 0.506 0.538 0.886 0.511 CB 1.505 89 residues pruned to eliminate duplicates Z: 116 60.489 2.296 0.551 0.533 0.948 0.565 CB 1.618 116 residues pruned to eliminate duplicates Z: 128 49.653 2.255 0.485 0.491 0.898 0.441 CB 1.479 128 residues pruned to eliminate duplicates Z: 65 39.550 2.215 0.631 0.498 0.938 0.500 CB 1.463 65 residues pruned to eliminate duplicates Z: 66 36.573 2.235 0.497 0.481 0.923 0.523 CB 1.497 66 residues pruned to eliminate duplicates Z: 129 48.847 2.241 0.456 0.534 0.867 0.516 CB 1.476 129 residues pruned to eliminate duplicates Z: 46 33.108 2.276 0.430 0.567 0.956 0.444 CB 1.488 46 residues pruned to eliminate duplicates Z: 111 47.294 2.236 0.505 0.525 0.891 0.445 CB 1.468 111 residues pruned to eliminate duplicates Z: 170 68.037 2.284 0.541 0.533 0.929 0.473 CB 1.550 170 residues pruned to eliminate duplicates Z: 106 55.199 2.285 0.573 0.516 0.924 0.533 CB 1.597 106 residues pruned to eliminate duplicates Z: 67 35.061 2.189 0.547 0.468 0.909 0.439 CB 1.449 67 residues pruned to eliminate duplicates Z: 53 34.457 2.205 0.533 0.501 0.942 0.462 CB 1.499 53 residues pruned to eliminate duplicates Z: 90 48.777 2.237 0.539 0.572 0.933 0.517 CB 1.502 90 residues pruned to eliminate duplicates Z: 87 48.191 2.260 0.552 0.590 0.919 0.477 CB 1.480 87 residues pruned to eliminate duplicates Z: 86 48.963 2.275 0.579 0.568 0.906 0.471 CB 1.528 86 residues pruned to eliminate duplicates Z: 172 70.340 2.344 0.486 0.559 0.918 0.526 CB 1.588 172 residues pruned to eliminate duplicates Z: 173 67.184 2.313 0.518 0.524 0.901 0.488 CB 1.581 173 residues pruned to eliminate duplicates Z: 47 26.465 2.063 0.595 0.449 0.870 0.522 CB 1.436 47 residues pruned to eliminate duplicates Z: 29 19.435 2.027 0.559 0.402 0.893 0.607 CB 1.443 29 residues pruned to eliminate duplicates Z: 61 36.043 2.116 0.647 0.554 0.900 0.650 CB 1.407 61 residues pruned to eliminate duplicates Z: 7 11.289 1.769 0.813 0.640 1.000 0.500 CA 1.261 7 residues pruned to eliminate duplicates Z: 26 22.199 2.088 0.616 0.453 0.920 0.640 CB 1.501 26 residues pruned to eliminate duplicates Z: 28 19.793 2.044 0.555 0.367 0.889 0.444 CB 1.555 28 residues pruned to eliminate duplicates Z: 98 55.081 2.274 0.629 0.573 0.907 0.536 CB 1.551 98 residues pruned to eliminate duplicates Z: 26 20.795 2.090 0.641 0.442 0.880 0.520 CB 1.463 26 residues pruned to eliminate duplicates Z: 21 22.863 2.145 0.698 0.557 0.850 0.600 CB 1.562 21 residues pruned to eliminate duplicates Z: 233 80.069 2.282 0.550 0.544 0.918 0.560 CB 1.550 233 residues pruned to eliminate duplicates Z: 9 15.695 2.067 0.658 0.633 0.875 0.625 CB 1.633 9 residues pruned to eliminate duplicates Z: 17 14.815 1.956 0.580 0.389 0.875 0.500 CA 1.540 17 residues pruned to eliminate duplicates Z: 27 20.055 2.077 0.673 0.414 0.808 0.615 CB 1.534 27 residues pruned to eliminate duplicates Z: 26 18.391 2.081 0.619 0.416 0.840 0.680 CB 1.420 26 residues pruned to eliminate duplicates Z: 59 38.393 2.138 0.673 0.559 0.914 0.621 CB 1.456 59 residues pruned to eliminate duplicates Z: 140 58.145 2.219 0.545 0.566 0.892 0.496 CB 1.512 140 residues pruned to eliminate duplicates Z: 199 74.535 2.300 0.575 0.530 0.889 0.576 CB 1.597 199 residues pruned to eliminate duplicates Z: 28 17.965 2.063 0.450 0.369 0.889 0.519 CB 1.497 28 residues pruned to eliminate duplicates Z: 117 52.345 2.195 0.564 0.546 0.922 0.543 CB 1.467 117 residues pruned to eliminate duplicates Z: 59 35.212 2.098 0.529 0.579 0.966 0.569 CB 1.383 59 residues pruned to eliminate duplicates Z: 62 35.633 2.105 0.578 0.547 0.934 0.590 CB 1.404 62 residues pruned to eliminate duplicates Z: 12 19.972 2.116 0.506 0.832 1.000 0.909 CA 1.420 12 residues pruned to eliminate duplicates Z: 34 31.932 2.144 0.739 0.675 0.939 0.667 CB 1.351 34 residues pruned to eliminate duplicates Z: 39 29.026 2.109 0.693 0.599 0.895 0.500 CB 1.341 39 residues pruned to eliminate duplicates Z: 61 34.604 2.070 0.625 0.560 0.900 0.600 CB 1.391 61 residues pruned to eliminate duplicates Z: 30 27.871 2.101 0.556 0.713 0.931 0.759 CB 1.401 30 residues pruned to eliminate duplicates Z: 49 32.377 2.091 0.684 0.616 0.917 0.667 CB 1.298 49 residues pruned to eliminate duplicates Z: 35 32.679 2.142 0.648 0.694 0.971 0.559 CB 1.370 35 residues pruned to eliminate duplicates Z: 32 31.870 2.183 0.876 0.712 0.871 0.710 CB 1.324 32 residues pruned to eliminate duplicates Z: 35 32.108 2.134 0.564 0.696 0.971 0.588 CB 1.422 35 residues pruned to eliminate duplicates Z: 35 28.913 2.144 0.580 0.669 0.912 0.529 CB 1.374 35 residues pruned to eliminate duplicates Z: 168 61.794 2.229 0.559 0.539 0.892 0.503 CB 1.485 168 residues pruned to eliminate duplicates Z: 59 35.375 2.148 0.604 0.569 0.879 0.517 CB 1.435 59 residues pruned to eliminate duplicates Z: 106 46.057 2.182 0.530 0.553 0.895 0.581 CB 1.428 106 residues pruned to eliminate duplicates Z: 47 36.479 2.123 0.671 0.610 0.957 0.609 CB 1.429 47 residues pruned to eliminate duplicates Z: 13 22.710 1.792 0.822 0.878 1.000 0.667 CB 1.458 13 residues pruned to eliminate duplicates Z: 36 33.639 2.125 0.626 0.672 1.000 0.571 CB 1.404 36 residues pruned to eliminate duplicates Z: 12 22.331 1.991 0.680 0.902 1.000 0.818 CB 1.436 12 residues pruned to eliminate duplicates Z: 36 33.336 2.127 0.653 0.663 0.971 0.514 CB 1.419 37 residues pruned to eliminate duplicates Z: 13 18.069 1.856 0.743 0.815 0.917 0.500 CB 1.338 13 residues pruned to eliminate duplicates Z: 35 28.405 2.120 0.651 0.682 0.941 0.647 CB 1.250 35 residues pruned to eliminate duplicates Z: 33 27.664 2.113 0.594 0.697 0.906 0.625 CB 1.338 33 residues pruned to eliminate duplicates Z: 59 37.996 2.092 0.677 0.618 0.914 0.621 CB 1.392 59 residues pruned to eliminate duplicates Z: 40 32.137 2.122 0.613 0.635 0.949 0.718 CB 1.396 40 residues pruned to eliminate duplicates Z: 34 36.807 2.154 0.783 0.702 0.970 0.697 CB 1.431 34 residues pruned to eliminate duplicates Z: 59 40.270 2.149 0.734 0.587 0.931 0.603 CB 1.402 59 residues pruned to eliminate duplicates Z: 35 30.250 2.140 0.700 0.669 0.912 0.588 CB 1.337 35 residues pruned to eliminate duplicates Z: 60 38.386 2.112 0.671 0.564 0.949 0.508 CB 1.403 60 residues pruned to eliminate duplicates Z: 35 32.573 2.161 0.692 0.677 0.941 0.588 CB 1.380 35 residues pruned to eliminate duplicates Z: 58 35.168 2.161 0.529 0.562 0.912 0.544 CB 1.455 58 residues pruned to eliminate duplicates Z: 38 28.343 2.088 0.511 0.635 0.946 0.703 CB 1.375 38 residues pruned to eliminate duplicates Z: 35 33.023 2.151 0.659 0.699 0.941 0.647 CB 1.406 35 residues pruned to eliminate duplicates Z: 34 34.017 2.152 0.749 0.681 0.939 0.667 CB 1.419 34 residues pruned to eliminate duplicates Z: 62 36.721 2.112 0.698 0.559 0.885 0.607 CB 1.398 62 residues pruned to eliminate duplicates Z: 28 13.241 1.959 0.324 0.406 0.815 0.519 CB 1.331 28 residues pruned to eliminate duplicates Z: 24 15.431 1.998 0.239 0.469 0.913 0.522 CB 1.469 24 residues pruned to eliminate duplicates Z: 18 11.478 1.934 0.368 0.465 0.765 0.471 CB 1.427 18 residues pruned to eliminate duplicates Z: 22 15.779 1.967 0.326 0.474 0.905 0.571 CB 1.499 22 residues pruned to eliminate duplicates Z: 21 16.024 1.967 0.405 0.510 0.900 0.550 CB 1.427 21 residues pruned to eliminate duplicates Z: 19 13.404 1.967 0.313 0.496 0.944 0.611 CB 1.300 22 residues pruned to eliminate duplicates Z: 12 11.841 1.686 0.449 0.839 1.000 0.636 CB 1.092 12 residues pruned to eliminate duplicates Z: 26 14.084 1.973 0.287 0.412 0.840 0.560 CB 1.448 26 residues pruned to eliminate duplicates Z: 20 18.623 2.053 0.410 0.485 0.895 0.632 CB 1.674 20 residues pruned to eliminate duplicates Z: 17 14.774 2.041 0.269 0.450 0.938 0.625 CB 1.600 17 residues pruned to eliminate duplicates Z: 22 18.752 1.976 0.440 0.498 0.952 0.571 CB 1.513 22 residues pruned to eliminate duplicates Z: 6 4.870 1.600 0.589 0.273 1.000 0.400 CA 1.109 6 residues pruned to eliminate duplicates Z: 23 17.391 2.016 0.373 0.471 0.909 0.545 CB 1.518 23 residues pruned to eliminate duplicates Z: 8 6.001 1.755 0.252 0.505 0.714 0.429 CB 1.437 8 residues pruned to eliminate duplicates Z: 18 9.833 1.826 0.220 0.426 0.824 0.471 CB 1.403 18 residues pruned to eliminate duplicates Z: 33 19.314 2.040 0.347 0.521 0.906 0.750 CB 1.343 33 residues pruned to eliminate duplicates Z: 37 20.620 2.008 0.448 0.501 0.972 0.528 CB 1.215 37 residues pruned to eliminate duplicates Z: 35 17.400 1.992 0.282 0.472 0.912 0.588 CB 1.319 35 residues pruned to eliminate duplicates Z: 40 15.532 1.941 0.257 0.395 0.846 0.564 CB 1.346 40 residues pruned to eliminate duplicates Z: 38 17.148 1.908 0.309 0.433 0.838 0.595 CB 1.444 38 residues pruned to eliminate duplicates Z: 31 19.706 2.066 0.319 0.502 0.933 0.633 CB 1.412 31 residues pruned to eliminate duplicates Z: 119 41.713 2.050 0.447 0.535 0.924 0.593 CB 1.354 119 residues pruned to eliminate duplicates Z: 11 14.708 1.782 0.595 0.745 1.000 0.500 CA 1.315 11 residues pruned to eliminate duplicates Z: 15 9.196 1.870 0.189 0.455 0.857 0.429 CB 1.351 15 residues pruned to eliminate duplicates Z: 33 18.026 2.032 0.385 0.496 0.844 0.562 CB 1.348 33 residues pruned to eliminate duplicates Z: 35 19.024 2.010 0.420 0.479 0.941 0.529 CB 1.240 35 residues pruned to eliminate duplicates Z: 26 14.873 2.077 0.318 0.422 0.920 0.640 CB 1.280 26 residues pruned to eliminate duplicates Z: 33 20.760 2.047 0.305 0.523 0.969 0.594 CB 1.386 33 residues pruned to eliminate duplicates Z: 60 29.399 2.069 0.445 0.532 0.898 0.593 CB 1.381 60 residues pruned to eliminate duplicates Z: 20 18.606 2.207 0.526 0.497 0.947 0.737 CB 1.342 20 residues pruned to eliminate duplicates Z: 42 18.533 1.938 0.266 0.461 0.927 0.561 CB 1.323 42 residues pruned to eliminate duplicates Z: 24 16.884 2.057 0.414 0.462 0.957 0.565 CB 1.315 24 residues pruned to eliminate duplicates Z: 23 15.941 2.124 0.335 0.415 0.955 0.545 CB 1.372 23 residues pruned to eliminate duplicates Z: 31 20.702 2.049 0.374 0.515 0.933 0.533 CB 1.417 31 residues pruned to eliminate duplicates Z: 36 18.892 2.027 0.389 0.428 0.914 0.543 CB 1.336 36 residues pruned to eliminate duplicates Z: 61 21.552 1.957 0.396 0.456 0.867 0.433 CB 1.229 61 residues pruned to eliminate duplicates Z: 18 17.330 2.195 0.574 0.480 0.941 0.412 CB 1.320 18 residues pruned to eliminate duplicates Z: 24 16.254 2.119 0.520 0.386 0.913 0.478 CB 1.300 24 residues pruned to eliminate duplicates Z: 23 15.296 2.098 0.459 0.424 0.909 0.364 CB 1.268 23 residues pruned to eliminate duplicates Z: 20 15.494 2.092 0.318 0.427 1.000 0.421 CB 1.392 20 residues pruned to eliminate duplicates Z: 41 17.528 1.939 0.364 0.413 0.850 0.475 CB 1.351 41 residues pruned to eliminate duplicates Z: 22 14.572 2.093 0.324 0.422 1.000 0.524 CB 1.244 22 residues pruned to eliminate duplicates Z: 58 29.183 2.130 0.324 0.594 0.912 0.649 CB 1.373 58 residues pruned to eliminate duplicates Z: 7 19.802 2.085 0.705 0.834 1.000 0.500 CA 1.704 7 residues pruned to eliminate duplicates Z: 13 16.449 2.120 0.472 0.516 1.000 0.667 CB 1.498 13 residues pruned to eliminate duplicates Z: 71 30.569 2.054 0.329 0.560 0.943 0.571 CB 1.340 71 residues pruned to eliminate duplicates Z: 16 11.728 1.929 0.041 0.725 1.000 0.733 CB 1.231 16 residues pruned to eliminate duplicates Z: 34 23.368 2.069 0.440 0.627 0.909 0.485 CB 1.333 34 residues pruned to eliminate duplicates Z: 62 29.183 2.069 0.417 0.532 0.934 0.590 CB 1.322 62 residues pruned to eliminate duplicates Z: 60 25.445 2.049 0.370 0.492 0.915 0.525 CB 1.300 60 residues pruned to eliminate duplicates Z: 37 24.002 2.058 0.276 0.646 0.917 0.556 CB 1.449 37 residues pruned to eliminate duplicates Z: 20 19.742 2.009 0.360 0.769 1.000 0.684 CB 1.306 20 residues pruned to eliminate duplicates Z: 71 29.543 2.032 0.409 0.543 0.886 0.529 CB 1.335 70 residues pruned to eliminate duplicates Z: 10 13.018 1.945 0.481 0.810 1.000 0.778 CB 1.150 10 residues pruned to eliminate duplicates Z: 36 26.839 2.094 0.440 0.677 0.886 0.629 CB 1.443 37 residues pruned to eliminate duplicates Z: 13 18.602 2.125 0.569 0.847 0.917 0.750 CB 1.304 13 residues pruned to eliminate duplicates Z: 41 23.731 2.054 0.390 0.602 0.925 0.700 CB 1.290 41 residues pruned to eliminate duplicates Z: 35 29.006 2.111 0.519 0.703 0.912 0.647 CB 1.414 35 residues pruned to eliminate duplicates Z: 36 26.351 2.094 0.413 0.680 0.914 0.657 CB 1.396 36 residues pruned to eliminate duplicates Z: 37 25.038 2.073 0.410 0.658 0.917 0.500 CB 1.345 37 residues pruned to eliminate duplicates Z: 35 27.739 2.120 0.377 0.700 0.941 0.618 CB 1.443 35 residues pruned to eliminate duplicates Z: 73 29.232 2.039 0.339 0.541 0.917 0.583 CB 1.322 73 residues pruned to eliminate duplicates Z: 61 28.122 2.102 0.376 0.540 0.917 0.567 CB 1.316 61 residues pruned to eliminate duplicates Z: 35 31.125 2.118 0.556 0.702 0.912 0.529 CB 1.478 35 residues pruned to eliminate duplicates Z: 9 14.825 1.969 0.335 0.904 1.000 0.625 CB 1.420 9 residues pruned to eliminate duplicates Z: 36 27.750 2.086 0.467 0.685 0.943 0.543 CB 1.372 36 residues pruned to eliminate duplicates Z: 35 28.245 2.127 0.394 0.691 0.941 0.618 CB 1.458 35 residues pruned to eliminate duplicates Z: 36 27.381 2.089 0.427 0.685 0.943 0.600 CB 1.389 36 residues pruned to eliminate duplicates Z: 10 18.055 2.038 0.526 0.905 1.000 0.778 CB 1.377 10 residues pruned to eliminate duplicates Z: 61 27.267 2.108 0.353 0.540 0.933 0.533 CB 1.272 61 residues pruned to eliminate duplicates Z: 34 30.223 2.136 0.474 0.701 0.970 0.636 CB 1.434 34 residues pruned to eliminate duplicates Z: 38 23.662 2.031 0.391 0.633 0.892 0.649 CB 1.363 37 residues pruned to eliminate duplicates Z: 6 4.799 1.363 0.818 0.381 1.000 0.600 O 0.983 6 residues pruned to eliminate duplicates Z: 73 30.079 2.052 0.449 0.548 0.889 0.583 CB 1.279 73 residues pruned to eliminate duplicates Z: 14 15.331 2.137 0.490 0.476 0.923 0.308 CB 1.481 14 residues pruned to eliminate duplicates Z: 36 27.962 2.128 0.435 0.678 0.914 0.571 CB 1.437 36 residues pruned to eliminate duplicates Z: 15 12.640 2.075 0.371 0.430 0.857 0.214 CB 1.489 15 residues pruned to eliminate duplicates Z: 7 12.977 2.048 0.428 0.768 1.000 0.667 CB 1.429 9 residues pruned to eliminate duplicates Z: 6 13.683 2.258 0.364 0.631 1.000 0.800 CA 1.757 6 residues pruned to eliminate duplicates Z: 36 26.356 2.080 0.340 0.669 0.943 0.629 CB 1.450 36 residues pruned to eliminate duplicates Z: 32 25.033 2.065 0.494 0.615 0.935 0.710 CB 1.396 32 residues pruned to eliminate duplicates Z: 38 19.061 2.037 0.403 0.379 0.946 0.514 CB 1.319 38 residues pruned to eliminate duplicates Z: 35 16.842 2.027 0.535 0.315 0.853 0.559 CB 1.336 35 residues pruned to eliminate duplicates Z: 34 13.972 2.020 0.374 0.338 0.848 0.455 CB 1.233 34 residues pruned to eliminate duplicates Z: 29 21.656 2.046 0.396 0.519 0.929 0.607 CB 1.515 29 residues pruned to eliminate duplicates Z: 46 25.631 2.112 0.418 0.460 0.911 0.511 CB 1.458 46 residues pruned to eliminate duplicates Z: 55 29.066 2.134 0.499 0.456 0.907 0.500 CB 1.425 55 residues pruned to eliminate duplicates Z: 89 45.591 2.241 0.616 0.474 0.864 0.568 CB 1.595 89 residues pruned to eliminate duplicates Z: 37 18.147 2.065 0.455 0.336 0.861 0.444 CB 1.399 37 residues pruned to eliminate duplicates Z: 39 17.712 1.960 0.406 0.361 0.895 0.474 CB 1.354 39 residues pruned to eliminate duplicates Z: 63 30.239 2.085 0.351 0.521 0.952 0.532 CB 1.403 63 residues pruned to eliminate duplicates Z: 98 49.257 2.240 0.573 0.474 0.938 0.505 CB 1.553 98 residues pruned to eliminate duplicates Z: 110 53.167 2.232 0.531 0.554 0.927 0.615 CB 1.525 110 residues pruned to eliminate duplicates Z: 46 23.333 2.063 0.415 0.485 0.911 0.556 CB 1.327 46 residues pruned to eliminate duplicates Z: 67 32.330 2.154 0.414 0.496 0.909 0.591 CB 1.443 67 residues pruned to eliminate duplicates Z: 30 25.741 2.061 0.353 0.749 0.966 0.690 CB 1.421 30 residues pruned to eliminate duplicates Z: 14 7.526 1.756 0.037 0.484 0.923 0.538 CB 1.261 14 residues pruned to eliminate duplicates Z: 15 15.163 2.082 0.066 0.796 1.000 0.857 CB 1.409 15 residues pruned to eliminate duplicates Z: 79 42.191 2.212 0.478 0.516 0.936 0.615 CB 1.537 79 residues pruned to eliminate duplicates Z: 17 20.812 2.102 0.315 0.806 0.938 0.812 CB 1.537 17 residues pruned to eliminate duplicates Z: 13 15.316 1.979 0.271 0.770 0.917 0.833 CB 1.511 13 residues pruned to eliminate duplicates Z: 109 42.597 2.196 0.402 0.481 0.917 0.556 CB 1.481 109 residues pruned to eliminate duplicates Z: 97 45.649 2.231 0.440 0.542 0.906 0.646 CB 1.535 97 residues pruned to eliminate duplicates Z: 64 38.306 2.244 0.351 0.582 0.921 0.683 CB 1.598 64 residues pruned to eliminate duplicates Z: 104 47.645 2.208 0.459 0.504 0.922 0.573 CB 1.573 104 residues pruned to eliminate duplicates Z: 11 12.424 2.213 0.149 0.675 0.800 0.700 CA 1.645 11 residues pruned to eliminate duplicates Z: 21 19.803 2.277 0.172 0.606 0.950 0.600 CB 1.579 21 residues pruned to eliminate duplicates Z: 126 56.336 2.245 0.465 0.556 0.920 0.656 CB 1.577 126 residues pruned to eliminate duplicates Z: 82 42.176 2.271 0.323 0.549 0.938 0.667 CB 1.584 82 residues pruned to eliminate duplicates Z: 80 45.123 2.291 0.405 0.553 0.949 0.709 CB 1.577 80 residues pruned to eliminate duplicates Z: 29 26.809 2.261 0.448 0.588 0.929 0.750 CB 1.532 29 residues pruned to eliminate duplicates Z: 74 40.765 2.310 0.409 0.535 0.890 0.699 CB 1.591 74 residues pruned to eliminate duplicates Z: 107 47.035 2.229 0.410 0.536 0.906 0.623 CB 1.549 107 residues pruned to eliminate duplicates Z: 28 33.027 2.306 0.645 0.571 1.000 0.481 CB 1.564 28 residues pruned to eliminate duplicates Z: 66 43.905 2.324 0.402 0.545 0.938 0.585 CB 1.704 66 residues pruned to eliminate duplicates Z: 28 27.610 2.303 0.483 0.522 0.963 0.481 CB 1.581 28 residues pruned to eliminate duplicates Z: 32 27.070 2.281 0.518 0.504 0.903 0.548 CB 1.548 32 residues pruned to eliminate duplicates Z: 83 43.426 2.278 0.375 0.525 0.951 0.585 CB 1.570 83 residues pruned to eliminate duplicates Z: 53 46.240 2.330 0.561 0.604 0.962 0.692 CB 1.661 53 residues pruned to eliminate duplicates Z: 77 35.333 2.256 0.312 0.482 0.908 0.632 CB 1.535 77 residues pruned to eliminate duplicates Z: 109 48.254 2.229 0.402 0.538 0.926 0.648 CB 1.546 109 residues pruned to eliminate duplicates Z: 90 38.375 2.207 0.370 0.489 0.910 0.629 CB 1.495 90 residues pruned to eliminate duplicates Z: 71 38.172 2.271 0.399 0.527 0.943 0.614 CB 1.483 71 residues pruned to eliminate duplicates Z: 94 42.557 2.228 0.396 0.526 0.903 0.656 CB 1.532 94 residues pruned to eliminate duplicates Z: 29 24.334 2.266 0.368 0.537 0.929 0.643 CB 1.540 29 residues pruned to eliminate duplicates Z: 61 41.681 2.267 0.421 0.567 0.950 0.650 CB 1.648 61 residues pruned to eliminate duplicates Z: 76 43.076 2.247 0.436 0.537 0.960 0.587 CB 1.548 76 residues pruned to eliminate duplicates Z: 26 23.218 2.159 0.552 0.514 0.920 0.640 CB 1.484 26 residues pruned to eliminate duplicates Z: 33 28.309 2.231 0.562 0.528 0.938 0.594 CB 1.490 33 residues pruned to eliminate duplicates Z: 66 42.525 2.274 0.452 0.544 0.954 0.631 CB 1.604 66 residues pruned to eliminate duplicates Z: 32 25.119 2.317 0.387 0.577 0.903 0.774 CB 1.444 32 residues pruned to eliminate duplicates Z: 59 40.776 2.300 0.500 0.547 0.914 0.534 CB 1.622 59 residues pruned to eliminate duplicates Z: 82 40.672 2.241 0.462 0.511 0.901 0.568 CB 1.513 82 residues pruned to eliminate duplicates Z: 26 26.321 2.285 0.598 0.592 0.760 0.640 CB 1.737 26 residues pruned to eliminate duplicates Z: 80 46.265 2.281 0.474 0.513 0.949 0.557 CB 1.611 80 residues pruned to eliminate duplicates Z: 62 40.337 2.241 0.500 0.543 0.902 0.639 CB 1.634 62 residues pruned to eliminate duplicates Z: 24 32.040 2.338 0.460 0.649 0.957 0.565 CB 1.780 24 residues pruned to eliminate duplicates Z: 49 43.627 2.324 0.590 0.585 0.938 0.604 CB 1.675 49 residues pruned to eliminate duplicates Z: 30 29.397 2.224 0.291 0.644 1.000 0.690 CB 1.661 30 residues pruned to eliminate duplicates Z: 54 38.912 2.260 0.583 0.555 0.906 0.660 CB 1.565 54 residues pruned to eliminate duplicates Z: 79 42.197 2.278 0.507 0.511 0.897 0.577 CB 1.534 79 residues pruned to eliminate duplicates Z: 106 51.636 2.231 0.537 0.506 0.943 0.600 CB 1.549 106 residues pruned to eliminate duplicates Z: 136 53.379 2.219 0.388 0.553 0.911 0.600 CB 1.555 136 residues pruned to eliminate duplicates Z: 65 44.132 2.265 0.566 0.551 0.953 0.578 CB 1.552 65 residues pruned to eliminate duplicates Z: 38 33.655 2.266 0.498 0.517 0.973 0.595 CA 1.646 38 residues pruned to eliminate duplicates Z: 69 43.650 2.312 0.577 0.514 0.912 0.588 CB 1.571 69 residues pruned to eliminate duplicates Z: 45 39.964 2.323 0.514 0.611 0.932 0.750 CB 1.654 45 residues pruned to eliminate duplicates Z: 76 42.490 2.314 0.476 0.538 0.893 0.653 CB 1.549 76 residues pruned to eliminate duplicates Z: 36 33.266 2.251 0.499 0.561 0.971 0.571 CB 1.617 36 residues pruned to eliminate duplicates Z: 47 40.709 2.319 0.469 0.557 1.000 0.696 CB 1.668 47 residues pruned to eliminate duplicates Z: 76 50.323 2.322 0.500 0.557 0.960 0.680 CB 1.645 76 residues pruned to eliminate duplicates Z: 65 35.264 2.228 0.431 0.479 0.906 0.562 CB 1.558 65 residues pruned to eliminate duplicates Z: 114 48.400 2.173 0.365 0.575 0.929 0.593 CB 1.536 114 residues pruned to eliminate duplicates Z: 66 44.155 2.268 0.561 0.551 0.969 0.677 CB 1.518 66 residues pruned to eliminate duplicates Z: 67 41.523 2.268 0.482 0.538 0.939 0.606 CB 1.559 67 residues pruned to eliminate duplicates Z: 126 55.325 2.251 0.435 0.548 0.920 0.664 CB 1.588 126 residues pruned to eliminate duplicates Z: 42 31.423 2.287 0.427 0.503 0.927 0.610 CB 1.618 42 residues pruned to eliminate duplicates Z: 141 55.255 2.226 0.426 0.553 0.914 0.557 CB 1.529 141 residues pruned to eliminate duplicates Z: 82 42.928 2.261 0.416 0.543 0.951 0.630 CB 1.502 82 residues pruned to eliminate duplicates Z: 40 31.033 2.253 0.346 0.495 0.974 0.641 CA 1.691 40 residues pruned to eliminate duplicates Z: 58 41.685 2.307 0.655 0.542 0.930 0.561 CB 1.493 58 residues pruned to eliminate duplicates Z: 59 39.551 2.296 0.499 0.465 0.931 0.552 CB 1.679 59 residues pruned to eliminate duplicates Z: 92 45.148 2.258 0.502 0.485 0.890 0.538 CB 1.592 92 residues pruned to eliminate duplicates Z: 82 47.842 2.281 0.506 0.506 0.963 0.605 CB 1.598 82 residues pruned to eliminate duplicates Z: 50 36.582 2.321 0.473 0.516 0.939 0.673 CB 1.602 50 residues pruned to eliminate duplicates Z: 110 44.618 2.222 0.382 0.507 0.917 0.615 CB 1.505 110 residues pruned to eliminate duplicates Z: 110 47.353 2.247 0.454 0.538 0.872 0.596 CB 1.534 110 residues pruned to eliminate duplicates Z: 72 45.997 2.321 0.526 0.504 0.930 0.563 CB 1.650 72 residues pruned to eliminate duplicates Z: 65 45.342 2.299 0.565 0.529 0.906 0.578 CB 1.688 65 residues pruned to eliminate duplicates Z: 21 12.482 2.094 0.263 0.407 0.900 0.500 CB 1.292 21 residues pruned to eliminate duplicates Z: 86 42.555 2.255 0.480 0.492 0.918 0.553 CB 1.519 86 residues pruned to eliminate duplicates Z: 114 50.584 2.206 0.508 0.531 0.903 0.593 CB 1.537 114 residues pruned to eliminate duplicates Z: 83 34.974 2.133 0.280 0.554 0.915 0.573 CB 1.468 83 residues pruned to eliminate duplicates Z: 82 45.107 2.261 0.565 0.502 0.926 0.556 CB 1.526 82 residues pruned to eliminate duplicates Z: 69 38.808 2.273 0.566 0.504 0.868 0.544 CB 1.517 69 residues pruned to eliminate duplicates Z: 122 56.109 2.247 0.469 0.538 0.950 0.587 CB 1.567 122 residues pruned to eliminate duplicates Z: 14 10.673 2.164 0.233 0.394 0.923 0.538 CB 1.345 14 residues pruned to eliminate duplicates Z: 64 33.943 2.143 0.422 0.524 0.952 0.603 CB 1.439 64 residues pruned to eliminate duplicates Z: 23 11.908 2.049 0.321 0.396 0.955 0.545 CB 1.096 23 residues pruned to eliminate duplicates Z: 62 32.472 2.145 0.378 0.517 0.902 0.639 CB 1.535 62 residues pruned to eliminate duplicates Z: 65 29.346 2.122 0.408 0.505 0.875 0.578 CB 1.397 65 residues pruned to eliminate duplicates Z: 84 36.717 2.132 0.366 0.574 0.892 0.590 CB 1.445 84 residues pruned to eliminate duplicates Z: 49 36.677 2.166 0.351 0.703 0.958 0.625 CB 1.570 49 residues pruned to eliminate duplicates Z: 62 24.613 2.046 0.425 0.489 0.803 0.508 CB 1.361 62 residues pruned to eliminate duplicates Z: 51 36.194 2.137 0.384 0.687 0.960 0.660 CB 1.518 51 residues pruned to eliminate duplicates Z: 25 35.814 2.150 0.724 0.796 0.958 0.583 CB 1.588 25 residues pruned to eliminate duplicates Z: 54 34.455 2.133 0.404 0.693 0.925 0.547 CB 1.433 54 residues pruned to eliminate duplicates Z: 50 36.775 2.166 0.462 0.700 0.918 0.571 CB 1.506 50 residues pruned to eliminate duplicates Z: 65 40.678 2.147 0.412 0.650 0.953 0.625 CB 1.530 65 residues pruned to eliminate duplicates Z: 23 34.315 2.122 0.774 0.796 0.955 0.545 CB 1.571 23 residues pruned to eliminate duplicates Z: 24 35.616 2.152 0.735 0.823 0.957 0.609 CB 1.571 24 residues pruned to eliminate duplicates Z: 56 33.388 2.116 0.597 0.547 0.891 0.473 CB 1.428 56 residues pruned to eliminate duplicates Z: 35 33.990 2.163 0.553 0.671 0.941 0.588 CB 1.574 35 residues pruned to eliminate duplicates Z: 122 59.764 2.240 0.613 0.539 0.942 0.570 CB 1.536 122 residues pruned to eliminate duplicates Z: 55 35.314 2.115 0.414 0.663 0.926 0.611 CB 1.492 55 residues pruned to eliminate duplicates Z: 65 33.184 2.126 0.461 0.516 0.938 0.484 CB 1.402 65 residues pruned to eliminate duplicates Z: 12 9.975 2.105 0.329 0.409 0.818 0.727 CB 1.444 12 residues pruned to eliminate duplicates Z: 33 38.127 2.209 0.709 0.688 0.938 0.625 CB 1.603 33 residues pruned to eliminate duplicates Z: 51 37.163 2.165 0.405 0.701 0.940 0.700 CB 1.530 51 residues pruned to eliminate duplicates Z: 63 40.554 2.138 0.419 0.658 0.984 0.565 CB 1.490 63 residues pruned to eliminate duplicates Z: 17 17.761 2.184 0.429 0.521 0.875 0.688 CB 1.593 17 residues pruned to eliminate duplicates Z: 43 29.520 2.098 0.344 0.597 0.952 0.667 CB 1.547 43 residues pruned to eliminate duplicates Z: 27 23.630 2.106 0.441 0.588 0.962 0.654 CB 1.461 27 residues pruned to eliminate duplicates Z: 52 38.457 2.156 0.479 0.701 0.961 0.608 CB 1.463 52 residues pruned to eliminate duplicates Z: 51 36.042 2.131 0.490 0.691 0.940 0.560 CB 1.434 51 residues pruned to eliminate duplicates Z: 60 33.480 2.099 0.452 0.595 0.915 0.542 CB 1.427 60 residues pruned to eliminate duplicates Z: 85 49.073 2.170 0.570 0.559 0.940 0.571 CB 1.578 85 residues pruned to eliminate duplicates Z: 28 22.871 2.127 0.163 0.638 1.000 0.741 CB 1.564 28 residues pruned to eliminate duplicates Z: 79 34.934 2.071 0.505 0.553 0.910 0.513 CB 1.324 79 residues pruned to eliminate duplicates Z: 15 15.001 2.009 0.392 0.632 0.929 0.571 CA 1.364 15 residues pruned to eliminate duplicates Z: 30 22.758 2.107 0.337 0.608 1.000 0.793 CB 1.354 30 residues pruned to eliminate duplicates Z: 76 36.247 2.043 0.404 0.567 0.960 0.533 CB 1.425 76 residues pruned to eliminate duplicates Z: 51 43.547 2.159 0.526 0.719 1.000 0.560 CB 1.533 51 residues pruned to eliminate duplicates Z: 52 37.511 2.142 0.468 0.674 0.980 0.686 CB 1.451 52 residues pruned to eliminate duplicates Z: 29 20.621 2.074 0.410 0.587 0.857 0.571 CB 1.431 29 residues pruned to eliminate duplicates Z: 39 30.196 2.157 0.467 0.554 0.974 0.711 CB 1.508 39 residues pruned to eliminate duplicates Z: 32 20.510 2.018 0.348 0.567 0.935 0.710 CB 1.357 32 residues pruned to eliminate duplicates Z: 30 19.981 2.106 0.215 0.632 0.931 0.724 CB 1.376 30 residues pruned to eliminate duplicates Z: 95 43.658 2.127 0.460 0.568 0.936 0.500 CB 1.450 95 residues pruned to eliminate duplicates Z: 30 24.292 2.131 0.450 0.618 0.966 0.586 CB 1.353 30 residues pruned to eliminate duplicates Z: 82 41.581 2.100 0.507 0.582 0.938 0.531 CB 1.438 82 residues pruned to eliminate duplicates Z: 54 38.402 2.158 0.590 0.620 0.962 0.547 CB 1.426 54 residues pruned to eliminate duplicates Z: 63 38.271 2.129 0.446 0.668 0.935 0.597 CB 1.445 63 residues pruned to eliminate duplicates Z: 41 29.218 2.115 0.507 0.535 0.950 0.575 CB 1.474 41 residues pruned to eliminate duplicates Z: 40 30.678 2.161 0.441 0.592 0.949 0.590 CB 1.522 40 residues pruned to eliminate duplicates Z: 63 41.807 2.125 0.541 0.654 0.968 0.597 CB 1.453 63 residues pruned to eliminate duplicates Z: 94 44.287 2.131 0.601 0.549 0.892 0.527 CB 1.439 94 residues pruned to eliminate duplicates Z: 41 29.269 2.112 0.448 0.564 1.000 0.650 CB 1.422 41 residues pruned to eliminate duplicates Z: 42 29.092 2.078 0.462 0.559 1.000 0.659 CB 1.412 42 residues pruned to eliminate duplicates Z: 11 9.968 1.968 0.406 0.348 0.900 0.500 CA 1.493 11 residues pruned to eliminate duplicates Z: 104 46.660 2.165 0.526 0.542 0.942 0.583 CB 1.419 104 residues pruned to eliminate duplicates 498 residues left after pruning, divided into chains as follows: A: 10 B: 234 C: 254 CC for partial structure against native data = 33.78 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.299, Contrast = 0.437, Connect. = 0.747 for dens.mod. cycle 1 = 0.299, Contrast = 0.486, Connect. = 0.761 for dens.mod. cycle 2 = 0.299, Contrast = 0.633, Connect. = 0.802 for dens.mod. cycle 3 = 0.299, Contrast = 0.647, Connect. = 0.804 for dens.mod. cycle 4 = 0.299, Contrast = 0.663, Connect. = 0.805 for dens.mod. cycle 5 = 0.299, Contrast = 0.673, Connect. = 0.805 for dens.mod. cycle 6 = 0.299, Contrast = 0.683, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.690, Connect. = 0.808 for dens.mod. cycle 8 = 0.299, Contrast = 0.696, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.701, Connect. = 0.809 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.66 - 2.91 - 2.54 - 2.31 - 2.15 - 2.02 - 1.92 - 1.84 - 1.77 - 1.71 0.614 0.617 0.637 0.637 0.624 0.592 0.538 0.468 0.418 0.386 0.762 0.754 0.777 0.769 0.752 0.724 0.664 0.578 0.507 0.459 N 6000 6032 6109 6015 5828 6221 6037 5771 5993 5783 Estimated mean FOM = 0.554 Pseudo-free CC = 58.27 % TimeTaking 269.62