++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:16:36 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: ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.ins Phases from ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.phi Native data from ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.hkl Listing output to ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.lst Phases output to ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.phs Poly-Ala trace output to ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 56225 Reflections read from file ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.phi 56225 Reflections read from file ./2o62-1.8-parrot-hancs/2o62-1.8-parrot-hancs.hkl 56225 Unique data, highest resolution = 1.750 Angstroms Anisotropic scaling: intensities multiplied by 0.000240h^2 -0.000081k^2 -0.000010l^2 +0.000000kl +0.000000hl +0.000000hk 283 Reflections with d > 1.950 and 0 in range 1.950 > d > 1.750 added Density sharpening factor set to 1.12 Fourier grid = 128 x 128 x 57 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.678 = 0.300, Contrast = 0.305, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.379, Connect. = 0.697 for dens.mod. cycle 2 = 0.300, Contrast = 0.466, Connect. = 0.727 for dens.mod. cycle 3 = 0.300, Contrast = 0.504, Connect. = 0.738 for dens.mod. cycle 4 = 0.300, Contrast = 0.529, Connect. = 0.745 for dens.mod. cycle 5 = 0.300, Contrast = 0.546, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.569, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.576, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.583, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3704 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 666 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 12.513 1.866 0.815 0.433 0.900 0.500 C 1.391 B: 19 10.428 1.689 0.661 0.420 0.833 0.500 CB 1.142 9 residues pruned to eliminate duplicates C: 27 24.209 1.963 0.999 0.560 0.923 0.577 CB 1.236 19 residues pruned to eliminate duplicates D: 34 27.564 2.045 0.922 0.548 0.848 0.485 CB 1.372 E: 27 19.929 1.945 0.731 0.488 0.846 0.538 CB 1.389 F: 10 8.261 1.934 0.630 0.431 0.667 0.444 CB 1.409 G: 24 13.764 1.879 0.720 0.371 0.870 0.435 CB 1.173 13 residues pruned to eliminate duplicates H: 12 4.991 1.861 0.359 0.403 0.636 0.455 CB 1.035 12 residues pruned to eliminate duplicates I: 36 20.226 1.945 0.575 0.433 0.886 0.514 CA 1.351 23 residues pruned to eliminate duplicates J: 13 4.234 1.678 0.459 0.179 0.583 0.333 CA 1.261 K: 19 18.008 2.019 0.908 0.496 0.833 0.556 CB 1.327 13 residues pruned to eliminate duplicates L: 17 11.922 1.934 1.012 0.355 0.812 0.625 CB 1.103 17 residues pruned to eliminate duplicates M: 6 7.569 1.685 0.528 0.660 1.000 0.600 C 1.134 N: 7 6.121 2.178 0.189 0.548 0.833 0.667 CB 1.104 O: 22 16.835 1.827 0.945 0.412 0.905 0.619 CA 1.253 5 residues pruned to eliminate duplicates P: 43 22.978 2.012 0.777 0.554 0.905 0.548 CB 1.040 26 residues pruned to eliminate duplicates Q: 6 7.460 1.873 0.698 0.489 1.000 0.800 CB 1.060 6 residues pruned to eliminate duplicates R: 14 8.767 1.698 0.745 0.354 0.769 0.385 CB 1.250 11 residues pruned to eliminate duplicates S: 14 18.677 1.997 1.092 0.577 0.923 0.692 CB 1.248 T: 10 11.483 1.870 0.656 0.462 0.889 0.778 CB 1.445 10 residues pruned to eliminate duplicates U: 28 21.869 1.919 1.006 0.522 0.815 0.593 CB 1.314 33 residues pruned to eliminate duplicates V: 54 21.366 1.949 0.505 0.435 0.868 0.528 CB 1.233 34 residues pruned to eliminate duplicates W: 19 12.662 1.842 1.072 0.407 0.667 0.444 CB 1.294 18 residues pruned to eliminate duplicates X: 11 10.786 1.883 0.433 0.505 1.000 0.700 CB 1.257 11 residues pruned to eliminate duplicates Y: 15 17.705 2.045 0.928 0.546 0.786 0.643 CB 1.460 15 residues pruned to eliminate duplicates Z: 20 18.551 1.844 1.166 0.503 0.842 0.526 CB 1.262 33 residues pruned to eliminate duplicates Z: 8 12.402 1.946 1.072 0.569 0.857 0.571 CA 1.269 9 residues pruned to eliminate duplicates Z: 13 7.233 1.620 0.596 0.422 0.917 0.583 CB 0.955 Z: 14 12.664 1.920 0.920 0.524 0.769 0.615 CB 1.210 13 residues pruned to eliminate duplicates Z: 24 28.386 2.057 1.082 0.608 0.957 0.565 CB 1.304 24 residues pruned to eliminate duplicates Z: 8 11.917 1.777 0.532 0.757 1.000 1.000 CB 1.317 8 residues pruned to eliminate duplicates Z: 11 15.133 1.903 0.915 0.632 0.900 0.700 CB 1.289 11 residues pruned to eliminate duplicates Z: 7 5.729 1.673 0.586 0.495 0.833 0.500 CA 1.063 7 residues pruned to eliminate duplicates Z: 13 8.802 1.799 0.993 0.439 0.750 0.417 CB 1.007 13 residues pruned to eliminate duplicates Z: 16 10.412 1.847 0.513 0.516 0.867 0.467 CB 1.093 9 residues pruned to eliminate duplicates Z: 9 8.981 2.064 0.331 0.515 0.875 0.625 CB 1.301 9 residues pruned to eliminate duplicates Z: 32 26.949 2.005 1.080 0.508 0.871 0.581 CB 1.322 37 residues pruned to eliminate duplicates Z: 24 16.337 1.875 0.914 0.498 0.870 0.565 CB 1.094 24 residues pruned to eliminate duplicates Z: 36 24.344 1.929 0.899 0.522 0.857 0.514 CB 1.282 27 residues pruned to eliminate duplicates Z: 12 7.463 1.695 0.704 0.449 0.909 0.727 CB 0.903 Z: 20 15.929 1.696 0.788 0.551 0.842 0.579 CB 1.361 Z: 12 17.615 1.829 0.863 0.589 1.000 0.545 CB 1.432 12 residues pruned to eliminate duplicates Z: 24 14.955 1.853 0.792 0.501 0.913 0.652 CB 1.028 24 residues pruned to eliminate duplicates Z: 12 10.601 1.926 0.615 0.442 0.909 0.545 CB 1.200 12 residues pruned to eliminate duplicates Z: 10 10.670 1.963 0.439 0.593 1.000 0.778 CB 1.152 11 residues pruned to eliminate duplicates Z: 27 21.571 1.998 1.065 0.491 0.846 0.538 CB 1.223 27 residues pruned to eliminate duplicates Z: 8 12.500 1.845 0.893 0.724 0.857 0.714 CB 1.289 8 residues pruned to eliminate duplicates Z: 6 9.254 1.924 0.975 0.655 0.800 0.800 CB 1.178 Z: 10 11.702 1.867 0.612 0.851 0.889 0.667 CB 1.079 Z: 7 7.304 1.864 0.405 0.841 1.000 0.667 CB 0.849 7 residues pruned to eliminate duplicates Z: 13 9.895 1.884 0.436 0.384 0.833 0.583 CB 1.433 Z: 39 29.677 1.989 1.031 0.490 0.921 0.553 CB 1.307 26 residues pruned to eliminate duplicates Z: 9 6.569 1.829 0.327 0.469 0.750 0.500 CA 1.317 9 residues pruned to eliminate duplicates Z: 17 10.713 1.937 0.760 0.462 0.875 0.562 CB 0.934 16 residues pruned to eliminate duplicates Z: 15 22.479 1.869 0.990 0.744 0.929 0.857 CB 1.399 Z: 23 16.269 1.944 0.767 0.495 0.909 0.545 CB 1.116 23 residues pruned to eliminate duplicates Z: 20 25.365 1.960 0.807 0.664 0.947 0.789 CB 1.490 20 residues pruned to eliminate duplicates Z: 26 17.790 1.890 0.536 0.511 0.920 0.680 CB 1.317 26 residues pruned to eliminate duplicates Z: 14 17.539 1.925 0.730 0.559 0.923 0.615 CB 1.494 14 residues pruned to eliminate duplicates Z: 6 2.607 1.602 0.094 0.503 0.800 0.600 CB 0.830 6 residues pruned to eliminate duplicates Z: 21 13.768 1.876 0.658 0.468 0.700 0.500 CA 1.461 21 residues pruned to eliminate duplicates Z: 7 4.404 1.847 0.678 0.245 0.833 0.500 CB 0.935 Z: 27 17.748 1.899 0.766 0.443 0.923 0.577 CB 1.192 30 residues pruned to eliminate duplicates Z: 6 8.692 1.858 0.743 0.670 0.800 0.800 CB 1.283 Z: 12 8.245 1.545 0.854 0.495 0.818 0.727 CB 1.066 6 residues pruned to eliminate duplicates Z: 15 15.582 2.037 0.852 0.473 0.857 0.429 CA 1.323 15 residues pruned to eliminate duplicates Z: 6 2.588 1.588 0.471 0.450 0.600 0.600 CB 0.869 6 residues pruned to eliminate duplicates Z: 8 5.976 1.965 0.338 0.405 0.857 0.571 CB 1.108 8 residues pruned to eliminate duplicates Z: 22 11.807 1.793 0.345 0.452 0.905 0.571 CB 1.240 22 residues pruned to eliminate duplicates Z: 7 8.640 1.726 1.099 0.657 0.667 0.667 CA 1.262 7 residues pruned to eliminate duplicates Z: 14 21.104 1.983 1.232 0.478 0.923 0.538 CB 1.466 14 residues pruned to eliminate duplicates Z: 8 6.267 1.892 0.497 0.436 0.714 0.429 CB 1.251 8 residues pruned to eliminate duplicates Z: 14 8.141 1.772 0.813 0.454 0.846 0.308 CB 0.871 14 residues pruned to eliminate duplicates Z: 13 5.536 1.690 0.329 0.347 0.833 0.583 CB 1.008 13 residues pruned to eliminate duplicates Z: 42 28.611 2.020 0.930 0.522 0.927 0.634 CB 1.210 42 residues pruned to eliminate duplicates Z: 36 23.576 1.987 0.962 0.557 0.857 0.571 CB 1.128 36 residues pruned to eliminate duplicates Z: 11 6.683 1.763 0.285 0.463 0.800 0.700 CB 1.211 7 residues pruned to eliminate duplicates Z: 6 2.576 1.549 -0.024 0.311 0.800 0.800 N 1.175 Z: 19 15.236 1.861 0.860 0.548 0.944 0.667 CB 1.049 Z: 21 12.117 1.847 0.893 0.476 0.800 0.550 CB 0.992 21 residues pruned to eliminate duplicates Z: 17 18.108 1.986 1.236 0.556 0.938 0.688 CB 1.029 17 residues pruned to eliminate duplicates Z: 40 22.803 1.984 0.898 0.563 0.821 0.641 CB 1.111 40 residues pruned to eliminate duplicates Z: 38 26.439 1.961 0.777 0.540 0.892 0.622 CB 1.344 39 residues pruned to eliminate duplicates Z: 18 17.662 1.752 0.867 0.636 0.882 0.765 CB 1.306 18 residues pruned to eliminate duplicates Z: 17 10.679 1.910 0.719 0.419 0.875 0.562 CB 1.011 18 residues pruned to eliminate duplicates Z: 15 13.274 1.869 0.731 0.513 0.929 0.500 CA 1.166 15 residues pruned to eliminate duplicates Z: 13 8.576 1.889 0.604 0.383 0.667 0.500 CA 1.389 13 residues pruned to eliminate duplicates Z: 16 8.061 1.830 0.305 0.480 0.800 0.400 CB 1.111 15 residues pruned to eliminate duplicates Z: 33 29.580 2.023 1.149 0.615 0.938 0.594 CB 1.151 33 residues pruned to eliminate duplicates Z: 16 11.997 1.848 0.844 0.557 0.800 0.800 CB 1.075 3 residues pruned to eliminate duplicates Z: 11 9.153 1.694 0.816 0.802 1.000 0.700 CB 0.723 9 residues pruned to eliminate duplicates Z: 26 15.188 1.956 0.442 0.545 0.920 0.600 CB 1.121 26 residues pruned to eliminate duplicates Z: 20 15.809 1.923 0.853 0.554 0.895 0.526 CB 1.079 20 residues pruned to eliminate duplicates Z: 10 22.456 1.968 1.067 0.749 1.000 0.778 CB 1.473 11 residues pruned to eliminate duplicates Z: 10 10.604 1.987 0.439 0.473 0.889 0.444 CB 1.429 10 residues pruned to eliminate duplicates Z: 9 7.741 1.607 0.558 0.737 0.875 0.500 CB 1.009 Z: 11 8.112 1.686 0.910 0.775 0.800 0.500 CB 0.781 7 residues pruned to eliminate duplicates Z: 18 19.758 1.993 0.699 0.609 0.882 0.706 CB 1.446 18 residues pruned to eliminate duplicates Z: 22 15.329 1.906 0.508 0.416 1.000 0.571 CB 1.271 22 residues pruned to eliminate duplicates Z: 10 12.078 1.750 0.837 0.673 0.889 0.667 CB 1.201 9 residues pruned to eliminate duplicates Z: 13 22.287 1.856 1.107 0.706 0.917 0.667 CB 1.489 14 residues pruned to eliminate duplicates Z: 7 8.252 1.984 0.463 0.623 0.833 0.500 CB 1.241 Z: 16 10.591 1.911 0.676 0.462 0.800 0.533 CB 1.109 16 residues pruned to eliminate duplicates Z: 24 20.049 1.889 0.687 0.577 0.913 0.696 CB 1.333 25 residues pruned to eliminate duplicates Z: 20 16.312 1.903 0.668 0.590 0.842 0.579 CB 1.285 20 residues pruned to eliminate duplicates Z: 15 27.591 1.919 0.992 0.778 1.000 0.786 CB 1.509 15 residues pruned to eliminate duplicates Z: 15 18.047 1.846 0.897 0.572 1.000 0.571 CB 1.285 15 residues pruned to eliminate duplicates Z: 13 8.587 2.003 0.262 0.459 0.833 0.583 CB 1.227 13 residues pruned to eliminate duplicates Z: 10 15.513 1.904 0.765 0.769 0.889 0.889 CA 1.364 10 residues pruned to eliminate duplicates Z: 18 12.824 1.790 0.835 0.474 0.882 0.706 CB 1.101 18 residues pruned to eliminate duplicates Z: 12 14.273 1.996 0.959 0.610 0.818 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 20 9.080 1.744 0.477 0.412 0.789 0.526 CB 1.123 27 residues pruned to eliminate duplicates Z: 20 14.373 1.806 0.903 0.449 0.895 0.684 CB 1.130 19 residues pruned to eliminate duplicates Z: 10 6.356 1.749 0.995 0.357 0.778 0.556 CB 0.911 Z: 14 8.303 1.650 0.571 0.475 0.846 0.462 CB 1.077 12 residues pruned to eliminate duplicates Z: 28 15.316 2.047 0.742 0.537 0.815 0.519 CB 0.978 28 residues pruned to eliminate duplicates Z: 16 10.689 1.875 0.557 0.496 0.867 0.600 CB 1.096 16 residues pruned to eliminate duplicates Z: 40 23.092 1.953 0.852 0.545 0.897 0.590 CB 1.090 40 residues pruned to eliminate duplicates Z: 12 11.307 2.032 0.925 0.590 0.818 0.545 CB 0.977 12 residues pruned to eliminate duplicates Z: 14 8.550 1.770 0.379 0.469 0.846 0.615 CB 1.186 14 residues pruned to eliminate duplicates Z: 42 23.016 1.927 0.700 0.450 0.927 0.488 CB 1.246 55 residues pruned to eliminate duplicates Z: 16 9.322 1.850 0.392 0.472 0.800 0.467 CB 1.202 16 residues pruned to eliminate duplicates Z: 11 10.639 1.827 0.515 0.524 0.900 0.700 CB 1.319 11 residues pruned to eliminate duplicates Z: 14 14.089 1.830 0.914 0.579 0.769 0.615 CB 1.344 14 residues pruned to eliminate duplicates Z: 21 10.421 1.771 0.785 0.442 0.700 0.600 CB 1.118 31 residues pruned to eliminate duplicates Z: 32 20.013 1.919 0.700 0.395 0.903 0.484 CB 1.363 32 residues pruned to eliminate duplicates Z: 8 9.156 1.647 0.468 0.649 0.857 0.714 N 1.453 7 residues pruned to eliminate duplicates Z: 42 21.107 1.883 0.582 0.453 0.902 0.537 CB 1.287 42 residues pruned to eliminate duplicates Z: 8 9.194 1.521 0.815 0.679 0.857 0.714 CB 1.246 Z: 8 14.015 2.057 0.555 0.589 1.000 0.714 CB 1.520 8 residues pruned to eliminate duplicates Z: 18 7.052 1.841 0.735 0.345 0.647 0.412 CB 0.979 18 residues pruned to eliminate duplicates Z: 18 11.059 1.800 0.769 0.399 0.824 0.588 CB 1.138 18 residues pruned to eliminate duplicates Z: 23 14.841 1.870 0.774 0.463 0.818 0.409 CB 1.211 23 residues pruned to eliminate duplicates Z: 20 15.589 1.633 0.516 0.625 0.947 0.789 CB 1.357 20 residues pruned to eliminate duplicates Z: 10 10.099 1.916 0.478 0.378 1.000 0.667 CA 1.354 10 residues pruned to eliminate duplicates Z: 34 18.911 1.962 0.587 0.470 0.818 0.545 CB 1.332 34 residues pruned to eliminate duplicates Z: 22 9.011 1.803 0.528 0.397 0.714 0.476 CB 1.115 22 residues pruned to eliminate duplicates Z: 13 23.980 1.960 0.977 0.702 1.000 0.750 CB 1.486 13 residues pruned to eliminate duplicates Z: 9 10.577 1.779 0.724 0.868 0.875 0.750 CB 1.019 9 residues pruned to eliminate duplicates Z: 27 17.673 1.870 0.656 0.480 0.846 0.692 CB 1.349 27 residues pruned to eliminate duplicates Z: 6 3.636 1.697 -0.067 0.559 1.000 0.400 CB 0.970 Z: 9 7.735 1.996 0.910 0.451 0.750 0.625 CB 1.005 9 residues pruned to eliminate duplicates Z: 11 11.050 1.745 0.738 0.776 0.900 0.700 CB 1.003 11 residues pruned to eliminate duplicates Z: 15 11.482 1.817 1.106 0.475 0.929 0.714 CB 0.886 21 residues pruned to eliminate duplicates Z: 8 3.943 1.679 0.527 0.383 0.857 0.571 CB 0.768 Z: 11 16.173 1.951 0.912 0.735 0.900 0.800 CB 1.233 11 residues pruned to eliminate duplicates Z: 8 8.762 1.677 0.546 0.627 1.000 0.571 CB 1.133 8 residues pruned to eliminate duplicates Z: 25 19.851 1.924 0.937 0.430 0.833 0.542 CB 1.403 25 residues pruned to eliminate duplicates Z: 7 5.291 1.700 0.917 0.505 0.833 0.667 CB 0.792 Z: 8 8.851 1.858 0.842 0.582 0.714 0.571 CB 1.265 8 residues pruned to eliminate duplicates Z: 44 24.148 1.956 0.804 0.487 0.907 0.535 CB 1.166 44 residues pruned to eliminate duplicates Z: 10 9.793 1.899 0.550 0.788 0.778 0.667 CB 1.107 10 residues pruned to eliminate duplicates Z: 15 19.268 1.790 0.836 0.684 0.929 0.929 C 1.425 14 residues pruned to eliminate duplicates Z: 26 12.342 1.881 0.373 0.462 0.920 0.520 CB 1.079 26 residues pruned to eliminate duplicates Z: 10 12.309 1.812 0.900 0.868 1.000 0.778 CB 0.871 11 residues pruned to eliminate duplicates Z: 9 18.804 1.714 1.479 0.728 0.875 0.625 C 1.456 9 residues pruned to eliminate duplicates Z: 7 3.328 1.461 0.756 0.393 0.667 0.667 C 0.889 Z: 9 8.040 1.830 0.342 0.675 0.875 0.875 CB 1.125 9 residues pruned to eliminate duplicates Z: 7 6.608 1.674 0.403 0.676 0.833 0.833 CB 1.172 6 residues pruned to eliminate duplicates Z: 8 6.589 1.746 0.632 0.616 0.857 0.714 CB 0.914 7 residues pruned to eliminate duplicates Z: 16 11.005 1.707 0.541 0.528 0.933 0.667 CB 1.126 13 residues pruned to eliminate duplicates Z: 6 4.100 1.840 0.333 0.480 0.600 0.600 N 1.271 6 residues pruned to eliminate duplicates Z: 6 9.142 1.751 0.495 0.863 1.000 0.600 CB 1.146 6 residues pruned to eliminate duplicates Z: 17 8.681 2.014 0.564 0.317 0.812 0.500 CB 1.038 17 residues pruned to eliminate duplicates Z: 19 10.166 1.891 0.613 0.343 0.833 0.500 CB 1.118 19 residues pruned to eliminate duplicates Z: 6 3.415 1.877 0.089 0.704 1.000 0.400 CB 0.621 6 residues pruned to eliminate duplicates Z: 12 10.818 1.844 0.836 0.544 0.727 0.636 CA 1.269 12 residues pruned to eliminate duplicates Z: 23 16.558 1.900 0.701 0.467 0.909 0.500 CB 1.242 23 residues pruned to eliminate duplicates Z: 7 3.705 1.572 0.712 0.241 0.667 0.333 CA 1.139 7 residues pruned to eliminate duplicates Z: 10 5.225 1.546 0.528 0.481 0.778 0.667 CB 0.967 10 residues pruned to eliminate duplicates Z: 10 9.240 1.834 0.564 0.649 0.889 0.667 CB 1.051 10 residues pruned to eliminate duplicates Z: 8 7.010 1.924 0.146 0.897 0.857 0.429 CB 1.003 8 residues pruned to eliminate duplicates Z: 8 5.903 1.921 0.828 0.342 0.857 0.429 CB 0.880 8 residues pruned to eliminate duplicates Z: 8 3.784 1.701 0.103 0.401 1.000 0.571 CA 0.846 Z: 8 9.578 1.689 0.576 0.478 1.000 0.571 CA 1.390 8 residues pruned to eliminate duplicates Z: 9 6.948 1.780 0.480 0.470 0.750 0.375 CA 1.281 9 residues pruned to eliminate duplicates Z: 50 25.252 1.952 0.684 0.515 0.918 0.612 CB 1.177 50 residues pruned to eliminate duplicates Z: 11 3.400 1.430 0.021 0.572 0.900 0.600 CB 0.763 11 residues pruned to eliminate duplicates Z: 7 3.985 1.324 0.406 0.734 0.833 0.833 CB 0.849 Z: 28 18.160 1.943 0.970 0.488 0.852 0.593 CB 1.085 28 residues pruned to eliminate duplicates Z: 8 4.745 1.705 0.049 0.404 1.000 0.714 CB 1.109 Z: 18 7.794 1.728 0.614 0.402 0.824 0.647 CB 0.912 5 residues pruned to eliminate duplicates Z: 12 6.680 1.704 0.128 0.499 0.909 0.636 CB 1.155 11 residues pruned to eliminate duplicates Z: 7 8.988 1.802 0.825 0.779 0.833 0.667 CB 1.047 7 residues pruned to eliminate duplicates Z: 15 8.629 1.717 0.403 0.461 0.857 0.571 CB 1.162 15 residues pruned to eliminate duplicates Z: 18 11.587 1.809 0.556 0.486 0.824 0.588 CB 1.228 18 residues pruned to eliminate duplicates Z: 24 12.989 1.803 0.497 0.557 0.870 0.609 CB 1.092 15 residues pruned to eliminate duplicates Z: 8 13.818 1.885 0.706 0.685 1.000 1.000 CB 1.371 8 residues pruned to eliminate duplicates Z: 12 11.817 1.802 0.654 0.625 0.818 0.727 CB 1.298 12 residues pruned to eliminate duplicates Z: 25 14.574 1.826 0.513 0.497 0.833 0.625 CB 1.295 25 residues pruned to eliminate duplicates Z: 39 25.836 2.023 1.090 0.537 0.842 0.605 CB 1.136 39 residues pruned to eliminate duplicates Z: 16 7.476 1.929 0.648 0.391 0.800 0.600 CB 0.852 16 residues pruned to eliminate duplicates Z: 6 4.192 1.659 0.772 0.684 0.800 0.800 CA 0.673 Z: 20 14.901 1.823 0.641 0.503 0.947 0.632 CB 1.202 28 residues pruned to eliminate duplicates Z: 8 8.066 1.878 0.517 0.641 0.857 0.571 CB 1.094 8 residues pruned to eliminate duplicates Z: 18 8.196 1.640 0.471 0.351 0.824 0.471 CB 1.177 18 residues pruned to eliminate duplicates Z: 37 19.383 1.825 0.796 0.474 0.917 0.528 CB 1.103 37 residues pruned to eliminate duplicates Z: 12 13.283 1.704 0.642 0.801 1.000 0.455 CB 1.100 12 residues pruned to eliminate duplicates Z: 11 6.857 1.601 0.416 0.523 1.000 0.900 CB 0.934 Z: 9 4.743 1.751 0.411 0.409 0.875 0.750 CB 0.853 9 residues pruned to eliminate duplicates Z: 6 4.070 1.724 -0.005 0.381 1.000 0.400 CB 1.204 6 residues pruned to eliminate duplicates Z: 7 8.197 1.827 0.596 0.664 0.833 0.833 CB 1.183 7 residues pruned to eliminate duplicates Z: 11 9.094 1.583 0.555 0.671 1.000 0.900 CA 0.997 11 residues pruned to eliminate duplicates Z: 18 14.149 1.719 0.639 0.514 0.824 0.471 CB 1.459 16 residues pruned to eliminate duplicates Z: 9 11.608 1.822 0.604 0.689 1.000 0.875 CA 1.180 9 residues pruned to eliminate duplicates Z: 24 13.727 1.769 0.656 0.368 0.913 0.609 CB 1.233 24 residues pruned to eliminate duplicates Z: 10 4.353 1.488 0.385 0.360 0.667 0.556 CB 1.228 10 residues pruned to eliminate duplicates Z: 15 6.168 1.825 0.545 0.351 0.857 0.571 CB 0.801 14 residues pruned to eliminate duplicates Z: 9 4.936 1.478 0.561 0.423 1.000 0.625 CB 0.819 9 residues pruned to eliminate duplicates Z: 6 3.758 1.524 -0.184 0.880 1.000 1.000 CB 0.979 Z: 13 10.032 1.903 0.356 0.545 0.917 0.667 CB 1.172 13 residues pruned to eliminate duplicates 6 1.885 1.264 -0.004 0.485 0.800 0.800 CA 0.850 ? Z: 8 5.011 1.600 0.464 0.468 1.000 0.857 CB 0.835 Z: 15 8.459 1.707 0.415 0.457 0.857 0.500 CA 1.141 15 residues pruned to eliminate duplicates Z: 8 2.496 1.640 0.600 0.484 0.857 0.429 CB 0.426 8 residues pruned to eliminate duplicates Z: 22 8.705 1.684 0.670 0.394 0.857 0.476 CB 0.881 22 residues pruned to eliminate duplicates Z: 8 5.240 1.704 0.649 0.284 0.714 0.429 CB 1.259 Z: 19 4.250 1.454 0.080 0.309 0.722 0.444 CB 1.091 19 residues pruned to eliminate duplicates Z: 6 6.009 1.704 0.574 0.646 0.800 0.800 CB 1.093 6 residues pruned to eliminate duplicates Z: 6 6.690 1.493 0.263 0.764 1.000 0.600 C 1.256 Z: 11 4.203 1.530 0.581 0.427 0.900 0.700 CB 0.658 11 residues pruned to eliminate duplicates Z: 11 4.654 1.742 0.207 0.555 0.800 0.800 CB 0.830 11 residues pruned to eliminate duplicates Z: 25 23.483 1.930 1.212 0.600 0.958 0.667 CB 1.065 25 residues pruned to eliminate duplicates Z: 11 5.443 1.965 -0.108 0.409 0.900 0.500 CB 1.201 11 residues pruned to eliminate duplicates Z: 11 11.388 1.680 1.069 0.500 0.800 0.600 CA 1.294 11 residues pruned to eliminate duplicates Z: 19 16.649 2.001 0.578 0.580 0.833 0.556 CB 1.382 19 residues pruned to eliminate duplicates Z: 9 10.231 1.436 0.992 0.798 0.875 0.750 CB 1.113 8 residues pruned to eliminate duplicates Z: 6 2.525 1.668 0.348 0.341 0.600 0.600 CA 0.995 6 residues pruned to eliminate duplicates Z: 9 7.427 1.740 0.292 0.533 0.875 0.625 CB 1.293 9 residues pruned to eliminate duplicates Z: 9 8.323 1.574 0.785 0.690 0.750 0.625 CA 1.173 9 residues pruned to eliminate duplicates Z: 10 9.696 1.912 0.494 0.484 1.000 0.444 CB 1.149 10 residues pruned to eliminate duplicates Z: 12 4.265 1.562 0.605 0.139 0.727 0.273 CB 1.104 12 residues pruned to eliminate duplicates Z: 8 3.270 1.348 0.620 0.387 0.857 0.571 N 0.744 Z: 13 8.427 1.582 0.611 0.562 1.000 0.667 CB 0.899 13 residues pruned to eliminate duplicates Z: 39 21.566 1.938 0.579 0.482 0.921 0.526 CB 1.265 39 residues pruned to eliminate duplicates Z: 13 12.878 1.821 0.687 0.554 0.917 0.583 CB 1.253 12 residues pruned to eliminate duplicates Z: 6 4.997 1.645 0.256 0.538 1.000 0.800 CA 1.042 Z: 9 5.680 1.357 0.400 0.610 0.875 0.625 C 1.088 9 residues pruned to eliminate duplicates Z: 7 4.902 1.664 0.132 0.293 1.000 0.333 C 1.340 Z: 6 6.263 1.642 1.068 0.486 0.800 0.800 CB 1.045 6 residues pruned to eliminate duplicates Z: 7 2.675 1.404 0.355 0.240 0.667 0.500 N 1.164 Z: 34 17.219 1.938 0.691 0.488 0.909 0.485 CB 1.018 34 residues pruned to eliminate duplicates Z: 9 2.282 1.520 0.006 0.303 0.750 0.625 CB 0.876 6 residues pruned to eliminate duplicates Z: 12 11.371 1.876 0.669 0.350 1.000 0.818 CB 1.288 12 residues pruned to eliminate duplicates Z: 27 19.256 1.942 0.967 0.517 0.885 0.615 CB 1.099 27 residues pruned to eliminate duplicates Z: 7 3.840 1.481 0.003 0.559 1.000 0.500 CB 0.997 Z: 7 5.946 1.761 0.582 0.488 1.000 0.667 CB 0.882 7 residues pruned to eliminate duplicates Z: 6 2.144 1.428 0.205 0.486 0.600 0.400 CB 0.942 5 residues pruned to eliminate duplicates Z: 10 5.140 1.944 0.736 0.395 0.778 0.556 CB 0.729 10 residues pruned to eliminate duplicates Z: 6 4.826 1.457 0.795 0.634 0.800 0.600 CB 0.909 16 residues pruned to eliminate duplicates Z: 14 9.036 1.559 0.796 0.569 0.769 0.615 CB 1.088 14 residues pruned to eliminate duplicates Z: 16 7.227 1.418 0.369 0.545 1.000 0.533 CB 0.921 10 residues pruned to eliminate duplicates Z: 9 4.484 1.641 0.523 0.417 0.625 0.625 CA 1.107 9 residues pruned to eliminate duplicates Z: 8 6.807 1.453 0.267 0.649 1.000 0.857 CB 1.216 8 residues pruned to eliminate duplicates Z: 8 6.244 1.419 0.604 0.831 0.857 0.857 C 0.908 Z: 11 6.951 1.686 0.358 0.588 0.800 0.600 CB 1.102 10 residues pruned to eliminate duplicates Z: 7 5.172 1.988 0.773 0.341 0.667 0.500 CB 1.068 7 residues pruned to eliminate duplicates Z: 6 5.133 1.713 0.406 0.514 0.800 0.800 CA 1.175 6 residues pruned to eliminate duplicates Z: 9 3.865 1.568 0.384 0.321 0.625 0.500 CB 1.227 9 residues pruned to eliminate duplicates Z: 25 24.504 1.909 1.152 0.600 0.958 0.667 CB 1.156 25 residues pruned to eliminate duplicates Z: 7 6.092 1.723 -0.196 0.758 1.000 0.500 CB 1.428 Z: 8 10.114 1.944 0.393 0.781 0.857 0.571 CB 1.285 8 residues pruned to eliminate duplicates Z: 51 25.837 1.917 0.802 0.423 0.860 0.520 CB 1.332 62 residues pruned to eliminate duplicates Z: 8 6.956 1.969 0.532 0.455 0.857 0.429 CB 1.065 12 residues pruned to eliminate duplicates Z: 16 9.007 1.909 0.670 0.350 0.867 0.733 CB 0.990 28 residues pruned to eliminate duplicates Z: 8 3.495 1.514 0.069 0.641 0.857 0.429 CB 0.835 Z: 11 10.837 1.654 0.647 0.659 1.000 0.900 CB 1.085 11 residues pruned to eliminate duplicates Z: 10 12.134 1.848 0.648 0.478 1.000 0.778 CB 1.358 10 residues pruned to eliminate duplicates Z: 17 19.164 1.751 0.705 0.689 0.938 0.812 C 1.439 17 residues pruned to eliminate duplicates Z: 7 6.260 1.653 0.606 0.596 0.667 0.667 C 1.317 7 residues pruned to eliminate duplicates Z: 18 22.601 1.910 0.985 0.579 1.000 0.647 CB 1.340 24 residues pruned to eliminate duplicates Z: 10 5.197 1.632 -0.075 0.724 1.000 0.778 CB 0.938 9 residues pruned to eliminate duplicates Z: 9 5.000 1.586 0.206 0.467 0.875 0.625 CB 1.092 9 residues pruned to eliminate duplicates Z: 15 7.885 1.701 0.575 0.510 0.929 0.643 CB 0.839 13 residues pruned to eliminate duplicates Z: 11 14.612 1.849 0.839 0.701 0.800 0.800 CB 1.415 11 residues pruned to eliminate duplicates Z: 8 9.839 1.647 0.597 0.659 1.000 0.714 C 1.220 8 residues pruned to eliminate duplicates Z: 10 4.798 1.608 0.603 0.530 0.778 0.778 CB 0.774 10 residues pruned to eliminate duplicates Z: 7 3.734 1.603 0.506 0.419 0.667 0.667 CB 1.030 Z: 8 4.227 1.464 0.271 0.364 0.857 0.429 CB 1.160 Z: 12 9.015 1.729 0.494 0.676 0.818 0.727 CB 1.094 12 residues pruned to eliminate duplicates Z: 7 3.620 1.761 0.192 0.247 0.833 0.500 CA 1.132 7 residues pruned to eliminate duplicates Z: 8 2.898 1.536 0.305 0.413 0.571 0.429 CB 1.048 Z: 32 22.314 1.922 0.642 0.441 0.968 0.548 CB 1.394 32 residues pruned to eliminate duplicates Z: 21 10.934 1.654 0.466 0.369 0.850 0.400 CB 1.365 18 residues pruned to eliminate duplicates Z: 9 3.141 1.495 -0.102 0.621 0.875 0.625 CB 0.844 9 residues pruned to eliminate duplicates Z: 11 5.397 1.501 0.740 0.399 1.000 0.900 CB 0.727 11 residues pruned to eliminate duplicates Z: 13 8.375 1.362 0.703 0.598 1.000 0.750 CB 0.949 21 residues pruned to eliminate duplicates Z: 8 4.883 1.679 0.428 0.402 0.714 0.571 CA 1.196 8 residues pruned to eliminate duplicates Z: 14 5.199 1.665 0.244 0.367 0.923 0.769 CB 0.869 Z: 7 2.131 1.416 0.285 0.274 0.667 0.333 C 0.927 Z: 15 6.925 1.620 0.527 0.266 0.786 0.429 CB 1.243 15 residues pruned to eliminate duplicates Z: 17 18.351 1.875 0.879 0.525 1.000 0.625 CB 1.270 17 residues pruned to eliminate duplicates Z: 8 2.109 1.552 -0.095 0.207 0.857 0.714 CB 0.936 7 residues pruned to eliminate duplicates Z: 20 16.712 1.870 0.717 0.515 0.947 0.632 CB 1.242 20 residues pruned to eliminate duplicates Z: 15 9.481 1.813 0.809 0.297 0.857 0.714 CA 1.131 15 residues pruned to eliminate duplicates Z: 7 2.944 1.547 0.683 0.414 0.667 0.500 CB 0.758 7 residues pruned to eliminate duplicates Z: 6 4.797 1.718 0.435 0.494 1.000 0.800 CB 0.876 6 residues pruned to eliminate duplicates Z: 6 4.588 1.563 0.723 0.537 1.000 0.600 CB 0.735 6 residues pruned to eliminate duplicates Z: 11 11.986 1.721 0.624 0.651 0.900 0.600 CB 1.309 11 residues pruned to eliminate duplicates 6 1.881 1.307 0.639 0.296 0.800 0.600 CB 0.616 ? Z: 7 3.632 1.499 0.371 0.325 0.833 0.500 N 1.049 Z: 17 9.631 1.834 0.369 0.496 0.812 0.562 CB 1.186 17 residues pruned to eliminate duplicates Z: 19 19.294 1.846 0.831 0.625 1.000 0.833 CB 1.196 19 residues pruned to eliminate duplicates Z: 24 22.682 2.048 0.654 0.520 0.957 0.522 CB 1.431 24 residues pruned to eliminate duplicates Z: 12 6.789 1.741 0.407 0.421 0.818 0.455 CA 1.109 Z: 12 4.948 1.766 0.314 0.381 0.818 0.545 CB 0.892 12 residues pruned to eliminate duplicates Z: 21 11.356 1.911 0.475 0.460 0.800 0.600 CB 1.172 21 residues pruned to eliminate duplicates Z: 14 9.277 1.483 0.669 0.516 1.000 0.692 CB 1.023 11 residues pruned to eliminate duplicates Z: 8 3.435 1.626 0.352 0.374 0.714 0.429 CA 0.946 8 residues pruned to eliminate duplicates Z: 6 3.742 1.467 -0.011 0.776 1.000 0.600 CB 0.904 Z: 8 3.672 1.747 0.712 0.255 0.571 0.286 CB 1.076 8 residues pruned to eliminate duplicates Z: 13 5.892 1.511 0.376 0.484 0.750 0.500 CB 1.108 13 residues pruned to eliminate duplicates Z: 6 2.427 1.629 0.593 0.864 1.000 1.000 CB 0.307 Z: 8 5.928 1.695 -0.252 0.782 1.000 0.857 CB 1.379 8 residues pruned to eliminate duplicates Z: 6 7.555 1.647 0.669 0.677 1.000 0.800 C 1.044 6 residues pruned to eliminate duplicates Z: 10 11.083 1.762 1.196 0.855 0.889 0.667 CB 0.793 10 residues pruned to eliminate duplicates Z: 7 6.389 1.634 0.576 0.512 0.833 0.833 CB 1.201 7 residues pruned to eliminate duplicates 6 1.925 1.386 0.199 0.239 0.800 0.600 CB 0.876 ? Z: 7 2.627 1.435 0.149 0.277 0.833 0.333 CB 1.004 434 residues left after pruning, divided into chains as follows: A: 7 B: 78 C: 19 D: 6 E: 14 F: 25 G: 12 H: 14 I: 13 J: 68 K: 14 L: 18 M: 15 N: 9 O: 24 P: 22 Q: 76 CC for partial structure against native data = 35.59 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.432, Connect. = 0.697 for dens.mod. cycle 1 = 0.300, Contrast = 0.504, Connect. = 0.727 for dens.mod. cycle 2 = 0.300, Contrast = 0.605, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.614, Connect. = 0.768 for dens.mod. cycle 4 = 0.300, Contrast = 0.624, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.628, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.633, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.635, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.637, Connect. = 0.779 for dens.mod. cycle 9 = 0.300, Contrast = 0.638, Connect. = 0.780 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3155 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 676 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 73 53.899 2.288 0.949 0.552 0.861 0.569 CB 1.572 B: 14 23.085 2.207 0.927 0.629 0.846 0.769 CB 1.575 14 residues pruned to eliminate duplicates C: 16 26.243 2.289 1.109 0.484 0.867 0.533 CA 1.646 D: 18 27.709 2.420 0.754 0.531 0.941 0.765 CB 1.632 E: 65 56.867 2.381 0.917 0.543 0.906 0.609 CB 1.648 65 residues pruned to eliminate duplicates F: 53 35.315 2.258 0.835 0.480 0.885 0.500 CB 1.364 16 residues pruned to eliminate duplicates G: 50 38.435 2.320 0.646 0.482 0.918 0.571 CB 1.595 18 residues pruned to eliminate duplicates H: 21 15.362 2.109 0.661 0.452 0.750 0.500 CB 1.374 I: 33 44.201 2.354 0.955 0.593 0.938 0.688 CB 1.657 35 residues pruned to eliminate duplicates J: 38 25.722 2.052 0.768 0.509 0.865 0.541 CB 1.336 13 residues pruned to eliminate duplicates K: 77 40.782 2.235 0.548 0.440 0.908 0.553 CB 1.583 51 residues pruned to eliminate duplicates L: 54 39.207 2.305 0.891 0.453 0.830 0.509 CB 1.562 54 residues pruned to eliminate duplicates M: 29 33.346 2.329 0.902 0.519 0.893 0.679 CB 1.563 38 residues pruned to eliminate duplicates N: 8 10.520 1.840 0.695 0.578 0.857 0.571 C 1.380 O: 20 13.584 2.161 0.500 0.334 0.842 0.316 CB 1.368 12 residues pruned to eliminate duplicates P: 20 12.553 1.883 0.630 0.354 0.789 0.474 CB 1.392 20 residues pruned to eliminate duplicates Q: 77 56.254 2.339 0.905 0.538 0.908 0.645 CB 1.537 64 residues pruned to eliminate duplicates R: 47 33.602 2.305 0.837 0.445 0.870 0.587 CB 1.424 47 residues pruned to eliminate duplicates S: 14 16.260 2.072 0.802 0.452 0.846 0.615 CB 1.499 14 residues pruned to eliminate duplicates T: 71 42.061 2.236 0.753 0.506 0.829 0.529 CB 1.539 71 residues pruned to eliminate duplicates U: 24 18.938 2.255 0.581 0.436 0.739 0.435 CB 1.601 24 residues pruned to eliminate duplicates V: 20 28.794 2.205 0.968 0.568 1.000 0.789 CB 1.424 21 residues pruned to eliminate duplicates W: 76 47.490 2.322 0.880 0.481 0.893 0.560 CB 1.433 65 residues pruned to eliminate duplicates X: 17 26.036 1.957 0.871 0.717 0.938 0.812 CB 1.558 Y: 57 43.625 2.330 0.786 0.526 0.839 0.518 CB 1.627 57 residues pruned to eliminate duplicates Z: 41 26.573 2.163 0.525 0.444 0.850 0.525 CB 1.587 41 residues pruned to eliminate duplicates Z: 10 9.982 1.777 0.525 0.476 0.889 0.333 CB 1.415 8 residues pruned to eliminate duplicates Z: 27 33.354 2.211 1.041 0.549 0.923 0.654 CB 1.498 27 residues pruned to eliminate duplicates Z: 52 47.062 2.337 0.882 0.557 0.863 0.627 CB 1.643 52 residues pruned to eliminate duplicates Z: 55 40.469 2.287 0.684 0.447 0.926 0.500 CB 1.630 55 residues pruned to eliminate duplicates Z: 11 8.802 1.996 0.622 0.376 0.800 0.500 CB 1.226 Z: 7 11.907 1.867 0.718 0.770 0.833 0.667 CB 1.432 Z: 9 26.358 2.228 0.865 0.876 1.000 0.875 CB 1.629 Z: 14 21.827 2.262 1.037 0.618 0.769 0.538 CB 1.528 14 residues pruned to eliminate duplicates Z: 96 41.537 2.207 0.702 0.463 0.853 0.516 CB 1.381 96 residues pruned to eliminate duplicates Z: 64 41.086 2.335 0.814 0.497 0.873 0.603 CB 1.404 64 residues pruned to eliminate duplicates Z: 40 47.229 2.392 0.907 0.552 0.949 0.692 CB 1.662 40 residues pruned to eliminate duplicates Z: 23 26.824 2.101 0.850 0.517 0.955 0.591 CA 1.516 Z: 39 32.738 2.228 0.643 0.470 0.974 0.605 CB 1.535 39 residues pruned to eliminate duplicates Z: 23 25.613 2.243 0.843 0.480 0.864 0.591 CB 1.561 23 residues pruned to eliminate duplicates Z: 75 43.320 2.274 0.782 0.493 0.865 0.527 CB 1.447 75 residues pruned to eliminate duplicates Z: 76 49.978 2.250 0.699 0.493 0.960 0.640 CB 1.584 76 residues pruned to eliminate duplicates Z: 25 42.619 2.355 1.113 0.625 0.917 0.583 CB 1.695 25 residues pruned to eliminate duplicates Z: 19 17.872 2.343 0.381 0.522 0.778 0.556 CB 1.637 19 residues pruned to eliminate duplicates Z: 16 24.410 1.995 0.846 0.652 0.933 0.667 CB 1.593 16 residues pruned to eliminate duplicates Z: 16 22.584 1.924 0.804 0.665 0.933 0.800 CA 1.544 16 residues pruned to eliminate duplicates Z: 21 9.583 1.845 0.304 0.368 0.800 0.550 CB 1.283 21 residues pruned to eliminate duplicates Z: 14 21.487 2.246 1.030 0.636 0.769 0.615 CB 1.496 14 residues pruned to eliminate duplicates Z: 41 49.098 2.398 1.088 0.536 0.900 0.600 CB 1.662 41 residues pruned to eliminate duplicates Z: 49 47.086 2.351 1.026 0.520 0.938 0.625 CB 1.493 49 residues pruned to eliminate duplicates Z: 9 11.749 2.233 0.543 0.483 0.750 0.500 CA 1.636 9 residues pruned to eliminate duplicates Z: 20 17.932 2.079 0.831 0.500 0.842 0.526 CB 1.284 Z: 42 28.202 2.186 0.497 0.457 0.927 0.512 CB 1.517 42 residues pruned to eliminate duplicates Z: 11 20.908 2.144 0.742 0.888 0.800 0.500 CB 1.594 9 residues pruned to eliminate duplicates Z: 43 21.778 1.925 0.673 0.379 0.881 0.524 CB 1.346 23 residues pruned to eliminate duplicates Z: 56 39.005 2.289 0.619 0.464 0.927 0.582 CB 1.587 56 residues pruned to eliminate duplicates Z: 11 21.090 2.184 0.770 0.833 0.900 0.700 CB 1.438 Z: 23 24.359 2.090 0.738 0.429 1.000 0.500 CB 1.539 23 residues pruned to eliminate duplicates Z: 11 17.774 1.701 0.764 0.735 1.000 0.500 C 1.516 11 residues pruned to eliminate duplicates Z: 36 21.389 1.929 0.670 0.426 0.971 0.571 CB 1.248 29 residues pruned to eliminate duplicates Z: 33 25.789 2.007 0.696 0.569 0.969 0.562 CB 1.293 Z: 8 5.180 2.166 0.086 0.462 0.571 0.571 CB 1.513 8 residues pruned to eliminate duplicates Z: 58 32.610 2.279 0.730 0.436 0.877 0.491 CB 1.333 58 residues pruned to eliminate duplicates Z: 49 40.216 2.301 1.014 0.493 0.833 0.500 CB 1.513 49 residues pruned to eliminate duplicates Z: 7 5.557 2.021 -0.162 0.736 1.000 0.833 CB 1.083 7 residues pruned to eliminate duplicates Z: 59 44.871 2.300 0.998 0.491 0.879 0.586 CB 1.472 60 residues pruned to eliminate duplicates Z: 58 37.858 2.327 0.880 0.469 0.842 0.579 CB 1.404 58 residues pruned to eliminate duplicates Z: 64 44.530 2.288 0.775 0.504 0.921 0.651 CB 1.495 64 residues pruned to eliminate duplicates Z: 28 12.642 2.072 0.285 0.394 0.889 0.593 CB 1.149 28 residues pruned to eliminate duplicates Z: 19 29.748 2.276 0.966 0.631 1.000 0.778 CB 1.386 24 residues pruned to eliminate duplicates Z: 45 38.779 2.304 0.957 0.497 0.864 0.545 CB 1.506 45 residues pruned to eliminate duplicates Z: 22 20.432 2.113 0.669 0.450 0.857 0.524 CB 1.553 22 residues pruned to eliminate duplicates Z: 10 24.841 2.118 0.908 0.838 1.000 0.556 CB 1.532 10 residues pruned to eliminate duplicates Z: 42 30.589 2.023 0.820 0.520 0.951 0.634 CB 1.337 44 residues pruned to eliminate duplicates Z: 13 11.009 2.072 0.868 0.348 0.750 0.333 CB 1.291 12 residues pruned to eliminate duplicates Z: 21 24.792 1.992 1.102 0.531 0.950 0.700 CB 1.352 21 residues pruned to eliminate duplicates Z: 21 16.450 2.066 0.423 0.472 0.900 0.550 CB 1.430 21 residues pruned to eliminate duplicates Z: 77 43.125 2.237 0.768 0.477 0.882 0.539 CB 1.452 77 residues pruned to eliminate duplicates Z: 61 45.110 2.227 0.753 0.519 0.900 0.633 CB 1.626 60 residues pruned to eliminate duplicates Z: 8 25.725 2.329 1.282 0.872 1.000 1.000 CB 1.334 8 residues pruned to eliminate duplicates Z: 76 50.756 2.331 0.873 0.486 0.880 0.507 CB 1.547 76 residues pruned to eliminate duplicates Z: 52 42.726 2.357 0.843 0.469 0.902 0.588 CB 1.576 52 residues pruned to eliminate duplicates Z: 11 5.661 1.614 0.545 0.385 0.800 0.500 CB 1.014 11 residues pruned to eliminate duplicates Z: 52 41.965 2.335 0.940 0.482 0.882 0.608 CB 1.497 52 residues pruned to eliminate duplicates Z: 64 53.988 2.375 0.984 0.545 0.889 0.635 CB 1.554 64 residues pruned to eliminate duplicates Z: 11 23.241 2.005 0.977 0.856 1.000 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 10 17.341 2.206 0.653 0.857 0.889 0.667 CB 1.314 10 residues pruned to eliminate duplicates Z: 28 27.141 2.146 0.707 0.568 0.852 0.704 CB 1.566 28 residues pruned to eliminate duplicates Z: 16 17.151 2.142 0.633 0.352 0.933 0.733 CB 1.593 16 residues pruned to eliminate duplicates Z: 14 13.055 1.790 1.470 0.466 0.769 0.462 CB 1.102 Z: 65 43.027 2.316 0.803 0.501 0.812 0.578 CB 1.582 65 residues pruned to eliminate duplicates Z: 11 18.426 2.010 1.033 0.812 0.800 0.500 CB 1.359 11 residues pruned to eliminate duplicates Z: 68 47.155 2.324 0.929 0.481 0.910 0.627 CB 1.439 67 residues pruned to eliminate duplicates Z: 54 42.131 2.316 0.653 0.477 0.943 0.547 CA 1.640 54 residues pruned to eliminate duplicates Z: 13 17.097 1.870 1.061 0.439 0.917 0.500 CB 1.488 9 residues pruned to eliminate duplicates Z: 61 43.226 2.332 0.923 0.494 0.867 0.633 CB 1.445 61 residues pruned to eliminate duplicates Z: 64 47.866 2.339 0.863 0.509 0.889 0.587 CB 1.543 64 residues pruned to eliminate duplicates Z: 88 53.319 2.336 0.854 0.502 0.908 0.632 CB 1.451 88 residues pruned to eliminate duplicates Z: 21 10.095 1.846 0.558 0.245 0.750 0.400 CB 1.404 21 residues pruned to eliminate duplicates Z: 23 26.653 2.121 0.827 0.511 0.955 0.636 CA 1.520 23 residues pruned to eliminate duplicates Z: 47 29.881 2.168 0.611 0.439 0.848 0.587 CB 1.585 47 residues pruned to eliminate duplicates Z: 10 15.604 2.102 0.964 0.858 0.667 0.556 CB 1.392 10 residues pruned to eliminate duplicates Z: 13 14.323 1.921 0.970 0.504 0.917 0.583 CB 1.187 33 residues pruned to eliminate duplicates Z: 27 29.339 2.208 0.687 0.570 0.885 0.615 CB 1.632 27 residues pruned to eliminate duplicates Z: 31 27.694 2.251 0.626 0.541 0.900 0.600 CB 1.474 31 residues pruned to eliminate duplicates Z: 12 12.161 2.000 0.795 0.335 0.818 0.273 CB 1.496 13 residues pruned to eliminate duplicates Z: 17 19.787 1.932 0.645 0.639 0.875 0.750 CB 1.562 17 residues pruned to eliminate duplicates Z: 18 16.121 2.270 0.697 0.415 0.824 0.588 CB 1.347 18 residues pruned to eliminate duplicates Z: 35 23.825 1.956 0.580 0.601 0.912 0.647 CB 1.318 34 residues pruned to eliminate duplicates Z: 23 24.169 2.161 0.796 0.415 0.955 0.545 CB 1.520 23 residues pruned to eliminate duplicates Z: 14 9.286 1.766 0.587 0.465 0.846 0.462 CB 1.126 14 residues pruned to eliminate duplicates Z: 46 38.534 2.242 0.970 0.528 0.889 0.733 CB 1.423 46 residues pruned to eliminate duplicates Z: 64 48.551 2.331 0.900 0.524 0.841 0.587 CB 1.603 64 residues pruned to eliminate duplicates Z: 10 24.379 2.238 0.860 0.893 1.000 0.667 CB 1.402 11 residues pruned to eliminate duplicates Z: 78 52.464 2.284 0.766 0.500 0.935 0.597 CB 1.585 78 residues pruned to eliminate duplicates Z: 17 17.633 2.250 0.599 0.479 0.938 0.500 CB 1.334 18 residues pruned to eliminate duplicates Z: 22 25.046 1.999 0.686 0.604 0.905 0.762 CB 1.623 7 residues pruned to eliminate duplicates Z: 23 22.429 1.977 0.726 0.567 0.864 0.727 CB 1.521 23 residues pruned to eliminate duplicates Z: 23 24.469 1.971 0.688 0.598 0.909 0.727 CB 1.571 22 residues pruned to eliminate duplicates Z: 26 22.885 2.116 0.787 0.428 0.960 0.480 CB 1.360 26 residues pruned to eliminate duplicates Z: 62 33.134 2.066 0.733 0.464 0.918 0.623 CB 1.340 63 residues pruned to eliminate duplicates Z: 56 47.524 2.350 0.984 0.542 0.855 0.618 CB 1.544 56 residues pruned to eliminate duplicates Z: 14 16.974 1.997 1.085 0.424 0.846 0.615 CA 1.446 14 residues pruned to eliminate duplicates Z: 9 9.057 2.033 0.641 0.404 0.750 0.375 CA 1.415 9 residues pruned to eliminate duplicates Z: 63 38.937 2.337 0.779 0.454 0.871 0.565 CB 1.431 63 residues pruned to eliminate duplicates Z: 104 47.252 2.218 0.736 0.473 0.883 0.612 CB 1.406 104 residues pruned to eliminate duplicates Z: 10 26.146 2.136 0.679 0.911 1.000 0.556 CA 1.723 10 residues pruned to eliminate duplicates Z: 14 13.157 1.907 0.474 0.476 0.923 0.692 CB 1.441 Z: 31 29.592 2.249 0.719 0.483 0.933 0.500 CB 1.523 31 residues pruned to eliminate duplicates Z: 76 49.027 2.268 0.700 0.508 0.947 0.627 CB 1.539 76 residues pruned to eliminate duplicates Z: 6 9.458 2.001 0.119 0.880 1.000 1.000 CB 1.368 6 residues pruned to eliminate duplicates Z: 113 54.238 2.196 0.844 0.491 0.875 0.580 CB 1.459 113 residues pruned to eliminate duplicates Z: 15 24.078 2.172 1.004 0.540 0.929 0.643 CB 1.531 15 residues pruned to eliminate duplicates Z: 76 52.810 2.295 0.728 0.521 0.947 0.613 CB 1.591 76 residues pruned to eliminate duplicates Z: 19 34.574 2.415 0.980 0.558 0.944 0.667 CB 1.705 19 residues pruned to eliminate duplicates Z: 65 42.107 2.315 0.774 0.476 0.844 0.562 CB 1.558 65 residues pruned to eliminate duplicates Z: 11 18.959 1.921 0.860 0.853 0.900 0.300 CB 1.378 11 residues pruned to eliminate duplicates Z: 22 20.340 2.043 0.724 0.453 0.905 0.667 CB 1.461 22 residues pruned to eliminate duplicates Z: 8 6.254 1.506 0.396 0.654 1.000 0.429 CB 0.974 8 residues pruned to eliminate duplicates Z: 18 14.332 2.049 0.435 0.461 0.941 0.529 CB 1.306 18 residues pruned to eliminate duplicates Z: 20 26.108 2.207 1.079 0.516 0.947 0.684 CB 1.357 20 residues pruned to eliminate duplicates Z: 20 26.571 2.221 0.939 0.557 0.947 0.737 CB 1.414 20 residues pruned to eliminate duplicates Z: 10 17.829 2.153 0.810 0.661 0.889 0.667 CA 1.478 10 residues pruned to eliminate duplicates Z: 87 47.932 2.328 0.840 0.499 0.826 0.547 CB 1.464 87 residues pruned to eliminate duplicates Z: 7 5.928 1.729 0.925 0.674 0.833 0.667 CB 0.743 Z: 18 14.375 1.948 0.561 0.360 0.941 0.588 CB 1.416 18 residues pruned to eliminate duplicates Z: 41 29.302 2.147 0.723 0.488 0.900 0.600 CB 1.408 41 residues pruned to eliminate duplicates Z: 14 9.325 1.906 0.229 0.526 0.846 0.769 CB 1.271 14 residues pruned to eliminate duplicates Z: 53 38.112 2.175 0.772 0.517 0.904 0.577 CB 1.491 53 residues pruned to eliminate duplicates Z: 22 26.838 2.013 0.800 0.626 0.905 0.857 CB 1.585 23 residues pruned to eliminate duplicates Z: 12 22.479 1.846 0.831 0.807 1.000 0.818 CB 1.534 12 residues pruned to eliminate duplicates Z: 20 25.065 2.182 0.814 0.552 0.947 0.579 CB 1.459 20 residues pruned to eliminate duplicates Z: 23 16.871 2.012 0.583 0.481 0.909 0.636 CB 1.265 20 residues pruned to eliminate duplicates Z: 29 21.315 2.008 0.734 0.447 0.929 0.607 CB 1.316 29 residues pruned to eliminate duplicates Z: 17 14.209 1.784 0.914 0.434 0.812 0.375 CB 1.371 31 residues pruned to eliminate duplicates Z: 77 51.125 2.278 0.848 0.499 0.855 0.618 CB 1.630 77 residues pruned to eliminate duplicates Z: 12 9.418 1.825 0.797 0.437 0.818 0.455 CB 1.130 Z: 53 37.008 2.306 0.752 0.511 0.846 0.558 CB 1.484 53 residues pruned to eliminate duplicates Z: 39 29.758 2.045 0.829 0.553 0.974 0.605 CB 1.259 38 residues pruned to eliminate duplicates Z: 53 35.012 2.219 0.646 0.507 0.904 0.615 CB 1.461 53 residues pruned to eliminate duplicates Z: 24 21.684 2.079 0.711 0.458 0.957 0.522 CB 1.387 24 residues pruned to eliminate duplicates Z: 23 23.604 1.996 0.620 0.589 0.909 0.682 CB 1.571 23 residues pruned to eliminate duplicates Z: 9 12.290 1.738 0.681 0.646 1.000 0.375 CB 1.298 8 residues pruned to eliminate duplicates Z: 8 6.337 2.037 0.264 0.499 1.000 0.429 CB 0.932 8 residues pruned to eliminate duplicates Z: 10 11.190 1.892 0.878 0.451 0.778 0.778 CB 1.420 10 residues pruned to eliminate duplicates Z: 16 13.189 2.368 0.424 0.354 0.867 0.600 CB 1.365 16 residues pruned to eliminate duplicates Z: 22 14.148 2.007 0.589 0.377 0.762 0.429 CB 1.448 22 residues pruned to eliminate duplicates Z: 7 9.199 2.042 0.137 0.713 1.000 0.667 CB 1.333 7 residues pruned to eliminate duplicates Z: 23 20.611 2.089 0.563 0.455 0.955 0.455 CB 1.477 23 residues pruned to eliminate duplicates Z: 21 22.931 2.204 0.602 0.502 0.950 0.500 CB 1.526 21 residues pruned to eliminate duplicates Z: 15 24.861 2.051 0.640 0.772 1.000 0.786 CB 1.554 16 residues pruned to eliminate duplicates Z: 45 32.013 1.971 0.815 0.537 0.955 0.636 CB 1.363 45 residues pruned to eliminate duplicates Z: 93 34.911 2.140 0.620 0.456 0.848 0.598 CB 1.295 93 residues pruned to eliminate duplicates Z: 12 9.632 1.986 0.183 0.507 0.909 0.364 CB 1.350 12 residues pruned to eliminate duplicates Z: 29 15.677 1.895 0.680 0.338 0.857 0.607 CB 1.296 29 residues pruned to eliminate duplicates Z: 12 23.798 2.057 0.858 0.842 1.000 0.545 CA 1.399 11 residues pruned to eliminate duplicates Z: 32 27.456 2.046 0.757 0.514 0.871 0.581 CB 1.553 32 residues pruned to eliminate duplicates Z: 51 51.672 2.380 0.948 0.558 0.900 0.580 CB 1.655 51 residues pruned to eliminate duplicates Z: 22 14.751 1.975 0.397 0.453 0.905 0.429 CB 1.353 22 residues pruned to eliminate duplicates Z: 32 17.160 1.926 0.564 0.418 0.903 0.613 CB 1.234 33 residues pruned to eliminate duplicates Z: 65 44.540 2.286 0.910 0.508 0.828 0.562 CB 1.528 65 residues pruned to eliminate duplicates Z: 22 23.931 2.005 0.540 0.626 0.952 0.714 CB 1.577 22 residues pruned to eliminate duplicates Z: 11 20.683 2.214 0.507 0.838 1.000 0.700 CA 1.464 11 residues pruned to eliminate duplicates Z: 7 7.758 1.706 0.492 0.794 0.833 0.667 CB 1.154 7 residues pruned to eliminate duplicates Z: 16 23.202 1.964 0.608 0.660 1.000 0.733 CB 1.635 17 residues pruned to eliminate duplicates Z: 19 10.580 1.865 0.314 0.422 0.833 0.556 CB 1.325 19 residues pruned to eliminate duplicates Z: 22 17.333 1.963 1.107 0.452 0.857 0.571 CB 1.120 18 residues pruned to eliminate duplicates Z: 18 19.566 2.111 0.490 0.480 1.000 0.824 CB 1.540 18 residues pruned to eliminate duplicates Z: 10 14.899 2.266 0.813 0.459 0.889 0.333 CB 1.418 10 residues pruned to eliminate duplicates Z: 52 36.085 2.338 0.874 0.470 0.843 0.510 CB 1.410 52 residues pruned to eliminate duplicates Z: 11 20.943 2.018 0.913 0.811 0.900 0.300 CB 1.453 11 residues pruned to eliminate duplicates Z: 26 24.481 2.159 0.514 0.533 0.920 0.680 CB 1.577 26 residues pruned to eliminate duplicates Z: 52 38.803 2.326 0.802 0.488 0.882 0.627 CB 1.487 52 residues pruned to eliminate duplicates Z: 20 24.565 2.175 0.834 0.574 0.947 0.789 CB 1.389 20 residues pruned to eliminate duplicates Z: 11 17.286 2.114 0.642 0.851 0.900 0.900 CB 1.296 11 residues pruned to eliminate duplicates Z: 18 23.370 2.007 1.299 0.492 0.882 0.647 CB 1.403 19 residues pruned to eliminate duplicates Z: 10 5.943 1.499 0.510 0.564 0.778 0.556 CB 1.057 Z: 23 12.411 1.740 0.561 0.435 0.864 0.500 CB 1.206 21 residues pruned to eliminate duplicates Z: 9 5.806 2.208 0.261 0.413 0.750 0.625 CB 1.077 9 residues pruned to eliminate duplicates Z: 33 19.521 2.185 0.496 0.497 0.781 0.531 CB 1.355 33 residues pruned to eliminate duplicates Z: 64 38.981 2.296 0.794 0.472 0.810 0.508 CB 1.515 64 residues pruned to eliminate duplicates Z: 9 10.464 1.833 0.721 0.441 0.875 0.500 CA 1.425 9 residues pruned to eliminate duplicates Z: 27 28.106 2.114 0.840 0.561 0.885 0.731 CB 1.510 28 residues pruned to eliminate duplicates Z: 9 9.186 2.183 1.193 0.430 0.750 0.500 CB 0.972 9 residues pruned to eliminate duplicates Z: 50 39.339 2.337 0.627 0.484 0.939 0.551 CB 1.601 50 residues pruned to eliminate duplicates Z: 10 13.326 1.780 0.652 0.666 0.889 0.889 CB 1.458 10 residues pruned to eliminate duplicates Z: 10 23.970 2.352 0.543 0.862 1.000 1.000 CA 1.617 10 residues pruned to eliminate duplicates Z: 82 53.839 2.339 0.959 0.519 0.877 0.568 CB 1.461 82 residues pruned to eliminate duplicates Z: 14 5.333 1.660 0.342 0.500 0.692 0.462 CB 0.959 Z: 7 6.319 1.793 0.589 0.702 0.833 0.833 CB 0.904 6 residues pruned to eliminate duplicates Z: 33 23.776 2.303 0.487 0.454 0.875 0.688 CB 1.470 33 residues pruned to eliminate duplicates Z: 40 40.768 2.370 0.838 0.514 0.923 0.487 CB 1.601 40 residues pruned to eliminate duplicates Z: 18 7.295 1.858 0.208 0.380 0.824 0.471 CB 1.087 18 residues pruned to eliminate duplicates Z: 18 19.330 2.263 0.618 0.515 0.882 0.588 CB 1.431 18 residues pruned to eliminate duplicates Z: 59 24.978 2.133 0.565 0.420 0.828 0.534 CB 1.290 73 residues pruned to eliminate duplicates Z: 18 15.297 2.212 0.734 0.339 0.882 0.588 CB 1.307 18 residues pruned to eliminate duplicates Z: 7 6.311 2.042 -0.032 0.746 0.833 0.500 CB 1.255 7 residues pruned to eliminate duplicates Z: 20 21.719 2.196 0.529 0.524 0.895 0.474 CB 1.619 20 residues pruned to eliminate duplicates Z: 10 24.415 2.248 0.887 0.858 1.000 0.556 CB 1.413 10 residues pruned to eliminate duplicates Z: 19 24.744 2.276 0.587 0.549 0.944 0.611 CB 1.630 19 residues pruned to eliminate duplicates Z: 56 35.032 2.186 0.644 0.465 0.909 0.473 CB 1.498 56 residues pruned to eliminate duplicates Z: 21 16.947 2.129 0.572 0.458 0.850 0.650 CB 1.391 21 residues pruned to eliminate duplicates Z: 9 6.176 2.069 0.406 0.350 0.750 0.625 CB 1.177 9 residues pruned to eliminate duplicates Z: 27 22.408 2.069 0.633 0.492 0.885 0.577 CB 1.482 27 residues pruned to eliminate duplicates Z: 10 12.306 1.768 1.056 0.591 0.889 0.889 CB 1.163 10 residues pruned to eliminate duplicates Z: 17 11.046 1.965 0.428 0.499 0.750 0.562 CB 1.314 17 residues pruned to eliminate duplicates Z: 27 31.021 2.256 0.696 0.539 0.923 0.577 CB 1.658 27 residues pruned to eliminate duplicates Z: 8 6.016 1.493 0.524 0.590 0.714 0.714 N 1.284 8 residues pruned to eliminate duplicates Z: 65 46.790 2.350 0.750 0.505 0.906 0.562 CB 1.561 65 residues pruned to eliminate duplicates Z: 6 11.319 1.956 1.080 0.618 0.800 0.600 CA 1.392 6 residues pruned to eliminate duplicates Z: 14 8.989 1.813 0.445 0.446 0.846 0.538 CB 1.189 14 residues pruned to eliminate duplicates Z: 10 16.976 2.152 0.234 0.841 1.000 0.778 CB 1.590 10 residues pruned to eliminate duplicates Z: 19 17.861 2.091 0.724 0.437 0.944 0.500 CB 1.319 19 residues pruned to eliminate duplicates Z: 48 39.257 2.241 0.852 0.507 0.894 0.574 CB 1.533 48 residues pruned to eliminate duplicates Z: 7 6.643 1.921 -0.151 0.826 1.000 1.000 CB 1.254 Z: 25 14.824 2.113 0.587 0.399 0.875 0.583 CB 1.147 25 residues pruned to eliminate duplicates Z: 54 40.290 2.274 0.887 0.511 0.811 0.642 CB 1.572 54 residues pruned to eliminate duplicates Z: 23 16.394 2.037 0.511 0.500 0.864 0.682 CB 1.316 23 residues pruned to eliminate duplicates Z: 7 3.493 2.123 0.890 0.191 0.500 0.167 CB 1.029 7 residues pruned to eliminate duplicates Z: 20 20.318 2.144 0.412 0.494 0.947 0.526 CA 1.636 20 residues pruned to eliminate duplicates Z: 7 7.237 1.976 -0.009 0.752 1.000 0.667 CB 1.205 7 residues pruned to eliminate duplicates Z: 48 36.925 2.039 0.917 0.586 0.979 0.702 CB 1.296 47 residues pruned to eliminate duplicates Z: 26 28.857 2.204 0.770 0.568 0.880 0.680 CB 1.575 26 residues pruned to eliminate duplicates Z: 17 7.858 1.734 0.371 0.358 0.750 0.625 CB 1.284 Z: 8 7.209 1.767 0.608 0.592 0.714 0.571 CB 1.229 8 residues pruned to eliminate duplicates Z: 51 43.552 2.316 0.874 0.490 0.940 0.620 CB 1.526 51 residues pruned to eliminate duplicates Z: 88 51.150 2.297 0.904 0.513 0.862 0.575 CB 1.435 88 residues pruned to eliminate duplicates Z: 10 8.618 1.564 0.398 0.665 1.000 0.667 CB 1.128 11 residues pruned to eliminate duplicates Z: 48 29.927 2.020 0.720 0.490 0.915 0.574 CB 1.387 48 residues pruned to eliminate duplicates Z: 23 23.733 2.235 0.783 0.485 0.955 0.682 CB 1.350 23 residues pruned to eliminate duplicates Z: 6 8.981 1.988 -0.122 0.818 1.000 1.000 C 1.746 6 residues pruned to eliminate duplicates Z: 20 25.237 2.222 0.717 0.500 0.947 0.737 CB 1.602 20 residues pruned to eliminate duplicates Z: 8 7.983 2.033 -0.285 0.787 1.000 0.857 CB 1.613 6 residues pruned to eliminate duplicates Z: 71 41.747 2.293 0.602 0.429 0.914 0.500 CB 1.600 71 residues pruned to eliminate duplicates Z: 10 22.467 2.231 0.864 0.865 0.889 0.667 CA 1.485 10 residues pruned to eliminate duplicates Z: 6 6.957 1.636 0.221 0.764 1.000 1.000 CB 1.233 Z: 11 7.479 1.930 -0.013 0.463 0.900 0.700 CB 1.433 11 residues pruned to eliminate duplicates Z: 8 7.389 1.615 0.723 0.659 0.857 0.714 CB 1.010 Z: 54 25.026 1.929 0.602 0.468 0.925 0.566 CB 1.243 54 residues pruned to eliminate duplicates Z: 10 4.385 1.591 0.651 0.264 0.667 0.556 CB 1.093 Z: 12 15.950 1.951 0.792 0.800 0.909 0.636 CB 1.164 12 residues pruned to eliminate duplicates Z: 59 45.216 2.221 0.776 0.510 0.948 0.672 CB 1.571 59 residues pruned to eliminate duplicates Z: 17 11.526 1.796 1.050 0.407 0.812 0.500 CB 1.062 31 residues pruned to eliminate duplicates Z: 51 36.367 2.241 0.644 0.502 0.900 0.560 CB 1.547 51 residues pruned to eliminate duplicates Z: 16 23.900 1.973 0.770 0.662 1.000 0.600 CB 1.520 16 residues pruned to eliminate duplicates Z: 54 32.238 2.212 0.551 0.442 0.906 0.547 CB 1.513 54 residues pruned to eliminate duplicates Z: 16 10.611 1.944 0.053 0.419 1.000 0.600 CB 1.456 16 residues pruned to eliminate duplicates Z: 8 5.959 1.588 0.365 0.574 0.857 0.714 CB 1.129 8 residues pruned to eliminate duplicates Z: 7 3.248 1.264 0.927 0.594 0.833 0.667 C 0.597 7 residues pruned to eliminate duplicates Z: 12 16.239 1.983 0.486 0.733 0.909 0.636 CA 1.482 12 residues pruned to eliminate duplicates Z: 13 24.660 2.314 1.008 0.751 0.833 0.750 CB 1.469 14 residues pruned to eliminate duplicates Z: 7 8.485 1.911 0.863 0.562 0.667 0.667 CA 1.374 7 residues pruned to eliminate duplicates Z: 59 38.468 2.170 0.710 0.485 0.879 0.569 CB 1.571 59 residues pruned to eliminate duplicates Z: 34 21.554 2.204 0.635 0.445 0.879 0.606 CB 1.254 34 residues pruned to eliminate duplicates Z: 15 12.564 1.816 0.496 0.494 0.929 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 10 16.450 2.215 0.658 0.836 0.778 0.667 CB 1.437 10 residues pruned to eliminate duplicates Z: 7 3.984 1.749 -0.087 0.521 0.833 0.667 N 1.197 Z: 6 9.479 1.731 0.695 0.762 1.000 0.800 CB 1.145 6 residues pruned to eliminate duplicates Z: 8 23.810 2.196 1.036 0.818 1.000 1.000 CA 1.527 8 residues pruned to eliminate duplicates Z: 11 18.520 2.014 0.867 0.798 0.800 0.800 CB 1.501 11 residues pruned to eliminate duplicates Z: 7 2.807 1.696 -0.106 0.401 0.833 0.667 CB 1.007 Z: 36 16.464 1.891 0.550 0.301 0.771 0.371 CB 1.537 36 residues pruned to eliminate duplicates Z: 23 15.986 1.916 0.936 0.412 0.818 0.500 CB 1.232 23 residues pruned to eliminate duplicates Z: 63 47.811 2.309 0.917 0.527 0.903 0.694 CB 1.479 63 residues pruned to eliminate duplicates Z: 14 16.089 1.990 0.867 0.491 0.769 0.615 CB 1.575 14 residues pruned to eliminate duplicates Z: 7 5.083 1.827 -0.152 0.516 1.000 0.500 CB 1.318 7 residues pruned to eliminate duplicates Z: 7 4.772 1.751 -0.208 0.645 1.000 0.667 CB 1.227 5 residues pruned to eliminate duplicates Z: 10 4.844 1.688 0.259 0.377 0.667 0.444 CB 1.299 Z: 34 30.709 2.228 0.589 0.530 0.939 0.515 CB 1.561 34 residues pruned to eliminate duplicates Z: 6 5.710 1.618 0.150 0.778 1.000 0.800 CB 1.074 6 residues pruned to eliminate duplicates Z: 36 22.322 1.858 0.680 0.503 0.886 0.714 CB 1.361 36 residues pruned to eliminate duplicates Z: 55 30.833 2.194 0.635 0.462 0.852 0.537 CB 1.428 55 residues pruned to eliminate duplicates Z: 21 11.292 2.006 0.403 0.409 0.800 0.500 CB 1.233 21 residues pruned to eliminate duplicates Z: 6 8.300 1.953 -0.013 0.723 1.000 0.800 CB 1.574 6 residues pruned to eliminate duplicates Z: 6 16.902 2.216 0.733 0.721 1.000 1.000 CB 1.611 6 residues pruned to eliminate duplicates Z: 11 12.122 1.831 0.565 0.705 0.900 0.800 CB 1.234 11 residues pruned to eliminate duplicates Z: 66 44.300 2.294 0.839 0.503 0.846 0.508 CB 1.535 66 residues pruned to eliminate duplicates Z: 22 10.524 2.000 0.284 0.422 0.714 0.524 CB 1.357 22 residues pruned to eliminate duplicates Z: 83 43.307 2.260 0.800 0.489 0.841 0.561 CB 1.412 83 residues pruned to eliminate duplicates Z: 45 41.624 2.323 0.944 0.529 0.909 0.568 CB 1.485 45 residues pruned to eliminate duplicates Z: 16 8.717 1.887 0.337 0.387 0.867 0.667 CB 1.160 16 residues pruned to eliminate duplicates Z: 34 43.764 2.342 1.074 0.573 0.879 0.667 CB 1.663 34 residues pruned to eliminate duplicates Z: 6 5.790 1.786 0.906 0.670 1.000 0.800 CB 0.650 Z: 21 26.152 1.962 0.834 0.641 0.900 0.800 CB 1.583 21 residues pruned to eliminate duplicates Z: 61 45.943 2.276 0.842 0.498 0.900 0.667 CB 1.574 61 residues pruned to eliminate duplicates Z: 23 25.125 1.979 0.569 0.601 1.000 0.682 CB 1.567 23 residues pruned to eliminate duplicates Z: 43 30.012 2.162 0.837 0.473 0.857 0.500 CB 1.398 42 residues pruned to eliminate duplicates Z: 22 15.392 2.213 0.654 0.439 0.714 0.619 CB 1.368 22 residues pruned to eliminate duplicates Z: 17 28.556 2.240 0.702 0.635 0.938 0.750 CA 1.760 17 residues pruned to eliminate duplicates Z: 20 16.275 1.774 0.922 0.390 0.895 0.421 CB 1.375 20 residues pruned to eliminate duplicates Z: 7 13.545 1.999 0.725 0.780 0.833 0.500 CA 1.504 7 residues pruned to eliminate duplicates Z: 7 7.105 1.706 0.132 0.726 1.000 0.667 CB 1.225 Z: 7 3.259 1.796 -0.200 0.442 1.000 0.667 CB 0.984 Z: 14 23.484 2.002 0.823 0.677 0.923 0.769 CB 1.643 14 residues pruned to eliminate duplicates Z: 41 29.058 2.038 0.733 0.542 0.925 0.650 CB 1.349 41 residues pruned to eliminate duplicates Z: 20 27.347 2.157 0.924 0.504 1.000 0.684 CB 1.506 20 residues pruned to eliminate duplicates Z: 13 24.646 2.289 0.767 0.716 0.917 0.750 CB 1.577 13 residues pruned to eliminate duplicates Z: 7 4.293 1.332 0.365 0.723 0.833 0.667 CB 0.946 7 residues pruned to eliminate duplicates Z: 23 18.630 1.979 0.504 0.527 0.864 0.682 CB 1.504 23 residues pruned to eliminate duplicates Z: 23 28.849 2.016 0.664 0.638 1.000 0.773 CB 1.611 23 residues pruned to eliminate duplicates Z: 39 26.272 2.043 0.876 0.523 0.816 0.579 CB 1.332 41 residues pruned to eliminate duplicates Z: 24 16.917 1.969 0.709 0.484 0.870 0.652 CB 1.226 24 residues pruned to eliminate duplicates Z: 22 17.490 2.056 0.573 0.479 0.905 0.619 CB 1.332 22 residues pruned to eliminate duplicates Z: 7 4.977 1.739 -0.141 0.589 1.000 0.667 CB 1.249 3 residues pruned to eliminate duplicates Z: 7 8.873 1.942 0.175 0.816 1.000 0.833 CB 1.206 7 residues pruned to eliminate duplicates Z: 7 4.284 1.618 0.101 0.579 0.833 0.667 CB 1.091 7 residues pruned to eliminate duplicates Z: 7 7.548 1.662 0.932 0.488 1.000 0.833 CB 0.972 7 residues pruned to eliminate duplicates Z: 29 12.084 1.990 0.417 0.405 0.857 0.429 CB 1.044 29 residues pruned to eliminate duplicates Z: 24 21.907 2.194 0.615 0.457 0.870 0.652 CB 1.549 24 residues pruned to eliminate duplicates Z: 25 14.806 2.093 0.564 0.355 0.958 0.583 CB 1.127 25 residues pruned to eliminate duplicates Z: 8 11.149 1.799 0.566 0.733 1.000 0.857 N 1.213 Z: 11 16.336 2.083 0.623 0.874 0.800 0.300 CB 1.390 11 residues pruned to eliminate duplicates Z: 28 24.853 1.979 0.945 0.463 0.889 0.593 CB 1.452 26 residues pruned to eliminate duplicates Z: 19 7.927 1.911 0.100 0.425 0.944 0.611 CB 1.018 19 residues pruned to eliminate duplicates Z: 10 18.880 1.939 0.789 0.789 1.000 0.444 CB 1.407 10 residues pruned to eliminate duplicates Z: 43 30.221 2.220 0.809 0.452 0.833 0.524 CB 1.464 43 residues pruned to eliminate duplicates Z: 16 11.389 1.792 0.575 0.456 0.800 0.467 CB 1.363 16 residues pruned to eliminate duplicates Z: 69 43.558 2.262 0.725 0.515 0.897 0.662 CB 1.487 69 residues pruned to eliminate duplicates Z: 50 37.066 2.297 0.646 0.466 0.939 0.653 CB 1.544 50 residues pruned to eliminate duplicates Z: 20 24.177 2.170 0.723 0.511 0.947 0.684 CB 1.549 20 residues pruned to eliminate duplicates Z: 18 21.203 2.041 1.060 0.450 0.882 0.765 CB 1.459 18 residues pruned to eliminate duplicates Z: 7 4.305 1.518 0.605 0.482 0.833 0.500 CB 0.882 7 residues pruned to eliminate duplicates Z: 10 5.884 1.591 0.083 0.651 0.889 0.667 CB 1.112 8 residues pruned to eliminate duplicates Z: 9 5.036 1.654 0.179 0.423 0.875 0.500 CB 1.130 Z: 17 12.308 1.917 0.638 0.360 0.875 0.688 CB 1.302 17 residues pruned to eliminate duplicates Z: 11 7.986 1.712 0.651 0.635 0.800 0.600 CB 0.984 11 residues pruned to eliminate duplicates Z: 8 2.610 1.654 -0.111 0.374 0.714 0.429 CB 1.074 Z: 10 9.916 1.713 0.479 0.572 1.000 0.778 CB 1.216 Z: 24 21.144 2.246 0.647 0.453 0.826 0.522 CB 1.515 24 residues pruned to eliminate duplicates Z: 21 20.525 1.818 0.742 0.634 0.850 0.750 CB 1.504 21 residues pruned to eliminate duplicates Z: 50 33.352 2.048 0.839 0.527 0.898 0.612 CB 1.372 50 residues pruned to eliminate duplicates Z: 17 15.310 2.094 0.339 0.511 0.875 0.625 CB 1.544 17 residues pruned to eliminate duplicates Z: 7 5.610 1.882 -0.232 0.804 1.000 1.000 CB 1.216 7 residues pruned to eliminate duplicates Z: 77 40.728 2.277 0.763 0.435 0.842 0.513 CB 1.478 77 residues pruned to eliminate duplicates Z: 12 15.807 1.970 0.668 0.762 0.909 0.727 CB 1.264 12 residues pruned to eliminate duplicates Z: 10 18.253 2.200 0.616 0.846 0.889 0.778 CB 1.430 10 residues pruned to eliminate duplicates Z: 9 8.013 1.527 0.477 0.725 1.000 1.000 CA 1.025 9 residues pruned to eliminate duplicates Z: 10 7.082 1.922 0.436 0.343 0.778 0.556 CB 1.305 Z: 9 6.950 1.470 0.461 0.539 0.875 0.625 N 1.258 9 residues pruned to eliminate duplicates Z: 36 16.466 2.026 0.575 0.362 0.857 0.543 CB 1.181 36 residues pruned to eliminate duplicates Z: 43 24.972 2.086 0.654 0.408 0.881 0.548 CB 1.396 43 residues pruned to eliminate duplicates Z: 13 17.488 2.058 1.056 0.547 0.833 0.583 CA 1.367 13 residues pruned to eliminate duplicates Z: 13 23.854 2.026 0.851 0.728 1.000 0.667 CA 1.495 11 residues pruned to eliminate duplicates Z: 17 10.457 1.862 0.485 0.417 0.938 0.562 CB 1.099 16 residues pruned to eliminate duplicates Z: 35 13.015 1.866 0.335 0.330 0.794 0.588 CB 1.359 35 residues pruned to eliminate duplicates Z: 10 2.998 1.511 0.419 0.358 0.667 0.556 CB 0.815 11 residues pruned to eliminate duplicates Z: 9 7.569 1.837 0.635 0.606 0.875 0.750 CB 0.921 9 residues pruned to eliminate duplicates Z: 7 4.326 1.796 -0.442 0.850 1.000 0.667 O 1.304 Z: 17 29.028 1.952 0.903 0.725 1.000 0.812 CB 1.595 17 residues pruned to eliminate duplicates Z: 9 4.714 1.726 -0.258 0.660 1.000 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 14 11.562 1.812 0.406 0.498 1.000 0.615 CB 1.262 14 residues pruned to eliminate duplicates Z: 16 17.170 2.012 0.692 0.545 0.867 0.800 CB 1.438 16 residues pruned to eliminate duplicates Z: 7 9.542 1.877 0.595 0.691 0.833 0.667 CB 1.311 7 residues pruned to eliminate duplicates 6 1.776 1.296 1.021 0.556 0.600 0.600 CB 0.479 ? Z: 8 4.692 1.561 -0.086 0.798 1.000 0.857 CB 0.958 8 residues pruned to eliminate duplicates Z: 10 4.733 1.559 0.230 0.439 0.667 0.556 N 1.314 7 residues pruned to eliminate duplicates Z: 6 7.387 1.492 0.661 0.758 1.000 0.800 N 1.059 Z: 7 2.608 1.456 -0.095 0.601 0.667 0.667 N 1.101 Z: 23 27.698 1.999 0.814 0.646 0.909 0.727 CB 1.563 23 residues pruned to eliminate duplicates Z: 19 9.973 1.783 0.378 0.457 0.833 0.667 CB 1.200 19 residues pruned to eliminate duplicates Z: 11 10.077 1.754 0.729 0.548 0.900 0.700 CB 1.115 8 residues pruned to eliminate duplicates Z: 19 11.762 1.954 0.430 0.453 0.833 0.444 CB 1.251 19 residues pruned to eliminate duplicates Z: 13 22.604 2.125 1.049 0.612 0.833 0.500 CA 1.618 13 residues pruned to eliminate duplicates Z: 8 3.605 1.363 0.240 0.322 1.000 0.571 CB 0.982 Z: 35 22.975 2.178 0.557 0.439 0.941 0.559 CB 1.315 35 residues pruned to eliminate duplicates Z: 9 4.531 1.795 -0.012 0.545 0.750 0.750 CB 1.152 9 residues pruned to eliminate duplicates Z: 6 4.710 1.596 0.486 0.418 0.800 0.600 CB 1.209 6 residues pruned to eliminate duplicates Z: 14 6.485 2.046 -0.017 0.362 0.923 0.538 CB 1.124 14 residues pruned to eliminate duplicates Z: 9 8.377 1.551 0.691 0.556 0.875 0.625 CB 1.221 8 residues pruned to eliminate duplicates Z: 9 6.618 1.623 -0.108 0.681 1.000 0.500 O 1.369 Z: 76 52.383 2.325 0.933 0.497 0.907 0.587 CB 1.489 76 residues pruned to eliminate duplicates Z: 18 8.447 2.008 0.357 0.369 0.765 0.353 CB 1.132 18 residues pruned to eliminate duplicates Z: 7 7.536 1.598 0.649 0.630 0.833 0.667 CA 1.240 7 residues pruned to eliminate duplicates Z: 16 15.076 2.115 0.389 0.520 0.933 0.667 CB 1.392 16 residues pruned to eliminate duplicates Z: 25 15.864 1.942 0.647 0.532 0.875 0.500 CB 1.121 33 residues pruned to eliminate duplicates Z: 6 4.001 1.745 0.402 0.534 0.800 0.800 CB 0.884 6 residues pruned to eliminate duplicates Z: 36 18.785 1.935 0.550 0.516 0.886 0.600 CB 1.177 36 residues pruned to eliminate duplicates Z: 6 6.855 1.692 0.378 0.634 1.000 0.800 CB 1.158 5 residues pruned to eliminate duplicates Z: 8 3.229 1.577 -0.006 0.450 1.000 0.571 CB 0.819 Z: 7 5.733 2.209 0.488 0.433 0.667 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 13 7.958 1.804 0.378 0.403 0.833 0.417 CA 1.228 13 residues pruned to eliminate duplicates Z: 6 10.445 2.011 0.324 0.757 1.000 0.800 CB 1.396 6 residues pruned to eliminate duplicates Z: 18 11.462 1.777 0.607 0.595 0.765 0.412 CB 1.163 18 residues pruned to eliminate duplicates Z: 16 10.033 1.713 0.607 0.497 0.867 0.667 CB 1.089 26 residues pruned to eliminate duplicates Z: 7 7.635 1.680 0.495 0.648 1.000 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 21 23.687 2.128 0.813 0.576 1.000 0.800 CB 1.276 31 residues pruned to eliminate duplicates Z: 6 5.555 1.747 0.300 0.664 0.800 0.800 CB 1.175 6 residues pruned to eliminate duplicates Z: 16 16.122 1.952 0.785 0.458 1.000 0.600 CB 1.248 16 residues pruned to eliminate duplicates Z: 30 32.512 2.034 0.940 0.649 0.862 0.759 CB 1.546 30 residues pruned to eliminate duplicates Z: 13 11.406 1.973 0.689 0.492 0.833 0.583 CB 1.194 13 residues pruned to eliminate duplicates Z: 25 20.547 1.806 0.602 0.562 0.958 0.708 CB 1.425 25 residues pruned to eliminate duplicates Z: 13 14.570 1.937 0.470 0.576 1.000 0.583 CB 1.373 13 residues pruned to eliminate duplicates Z: 13 14.478 2.045 0.518 0.540 0.917 0.667 CB 1.412 13 residues pruned to eliminate duplicates Z: 24 21.913 2.167 0.535 0.499 0.957 0.652 CB 1.438 24 residues pruned to eliminate duplicates Z: 6 5.099 1.720 0.501 0.578 0.800 0.600 CB 1.025 Z: 11 13.841 2.014 0.409 0.635 0.900 0.800 CA 1.509 11 residues pruned to eliminate duplicates Z: 17 13.863 1.949 0.731 0.468 0.812 0.625 CB 1.306 17 residues pruned to eliminate duplicates Z: 7 2.836 1.257 0.138 0.568 0.833 0.500 CB 0.909 Z: 6 10.202 1.890 0.374 0.830 1.000 1.000 CB 1.321 6 residues pruned to eliminate duplicates Z: 29 17.872 1.959 0.558 0.484 0.929 0.500 CB 1.211 29 residues pruned to eliminate duplicates Z: 8 5.469 1.750 -0.264 0.799 1.000 0.857 CB 1.236 8 residues pruned to eliminate duplicates Z: 17 24.240 2.244 0.907 0.672 0.812 0.688 CB 1.487 17 residues pruned to eliminate duplicates Z: 6 3.957 1.498 -0.155 0.737 1.000 0.800 CB 1.131 6 residues pruned to eliminate duplicates Z: 9 24.184 1.979 1.092 0.777 1.000 0.750 CB 1.617 9 residues pruned to eliminate duplicates Z: 7 2.763 1.486 0.057 0.445 0.833 0.500 N 0.912 Z: 11 16.589 1.927 0.619 0.648 1.000 0.900 CA 1.465 11 residues pruned to eliminate duplicates Z: 13 8.564 1.820 0.251 0.493 0.833 0.583 CB 1.312 13 residues pruned to eliminate duplicates Z: 6 5.380 1.599 0.644 0.560 0.800 0.800 CA 1.079 6 residues pruned to eliminate duplicates Z: 7 6.191 1.645 0.835 0.655 1.000 0.500 CB 0.725 Z: 12 19.064 2.246 0.967 0.410 0.909 0.455 CA 1.572 12 residues pruned to eliminate duplicates Z: 9 5.920 1.404 0.355 0.553 1.000 0.625 C 1.045 7 residues pruned to eliminate duplicates Z: 11 25.756 2.232 0.840 0.844 1.000 0.700 CB 1.476 11 residues pruned to eliminate duplicates Z: 59 32.337 1.990 0.801 0.541 0.879 0.603 CB 1.295 59 residues pruned to eliminate duplicates Z: 52 41.300 2.249 0.823 0.532 0.922 0.431 CB 1.483 52 residues pruned to eliminate duplicates Z: 19 9.296 1.803 0.376 0.478 0.833 0.556 CB 1.084 19 residues pruned to eliminate duplicates Z: 29 22.771 1.912 0.822 0.509 0.857 0.679 CB 1.428 29 residues pruned to eliminate duplicates Z: 19 14.248 2.157 0.568 0.416 0.889 0.556 CB 1.219 19 residues pruned to eliminate duplicates Z: 9 4.158 1.475 0.082 0.494 0.750 0.500 N 1.235 9 residues pruned to eliminate duplicates Z: 10 15.179 2.258 0.631 0.648 0.889 0.778 CB 1.347 10 residues pruned to eliminate duplicates Z: 6 2.462 1.348 0.542 0.542 0.600 0.400 N 0.847 Z: 7 5.980 1.427 0.482 0.659 1.000 0.833 N 0.996 7 residues pruned to eliminate duplicates Z: 13 9.764 1.982 0.215 0.410 0.917 0.500 CA 1.402 13 residues pruned to eliminate duplicates Z: 32 24.831 2.259 0.841 0.458 0.871 0.452 CB 1.286 32 residues pruned to eliminate duplicates Z: 7 4.073 1.697 0.222 0.364 0.667 0.500 N 1.393 7 residues pruned to eliminate duplicates 7 1.692 1.560 0.373 0.348 0.500 0.500 CB 0.761 ? Z: 21 22.434 2.084 0.639 0.546 0.950 0.600 CB 1.477 21 residues pruned to eliminate duplicates Z: 16 10.010 2.144 0.470 0.388 0.733 0.733 CB 1.259 16 residues pruned to eliminate duplicates Z: 15 23.216 1.992 0.641 0.641 1.000 0.786 CA 1.663 15 residues pruned to eliminate duplicates Z: 20 18.636 2.067 0.795 0.489 0.895 0.632 CB 1.302 20 residues pruned to eliminate duplicates Z: 16 15.472 1.978 0.633 0.456 1.000 0.667 CB 1.294 16 residues pruned to eliminate duplicates Z: 27 31.585 2.133 0.837 0.665 0.885 0.654 CB 1.534 27 residues pruned to eliminate duplicates Z: 9 7.483 1.592 0.844 0.670 0.750 0.750 CB 1.027 9 residues pruned to eliminate duplicates Z: 6 6.581 1.885 -0.137 0.788 1.000 1.000 CB 1.405 6 residues pruned to eliminate duplicates Z: 6 2.858 1.539 0.176 0.446 0.800 0.800 CB 0.933 Z: 10 7.039 1.643 0.352 0.565 0.889 0.667 N 1.116 Z: 23 16.466 2.058 0.358 0.463 0.955 0.682 CB 1.367 23 residues pruned to eliminate duplicates Z: 22 21.309 2.124 0.572 0.517 0.905 0.762 CB 1.514 22 residues pruned to eliminate duplicates Z: 11 7.339 1.612 0.902 0.493 0.800 0.600 CB 0.953 13 residues pruned to eliminate duplicates Z: 10 6.925 1.451 0.891 0.564 0.667 0.556 CB 1.186 10 residues pruned to eliminate duplicates Z: 7 2.623 1.518 -0.140 0.541 0.833 0.500 CB 0.946 Z: 6 5.055 1.723 0.759 0.477 0.800 0.800 CB 0.955 6 residues pruned to eliminate duplicates Z: 15 12.772 1.971 0.595 0.405 0.929 0.714 CB 1.292 15 residues pruned to eliminate duplicates Z: 10 4.617 1.516 0.223 0.434 1.000 0.444 CB 0.889 Z: 37 23.406 2.133 0.520 0.452 0.861 0.528 CB 1.468 37 residues pruned to eliminate duplicates Z: 53 39.381 2.239 0.662 0.527 0.923 0.673 CB 1.549 53 residues pruned to eliminate duplicates Z: 16 6.505 1.949 0.448 0.260 0.733 0.533 CB 1.068 16 residues pruned to eliminate duplicates Z: 8 2.787 1.880 0.425 0.106 0.571 0.286 CB 1.135 8 residues pruned to eliminate duplicates Z: 30 22.383 2.152 0.428 0.466 0.966 0.379 CB 1.451 30 residues pruned to eliminate duplicates Z: 17 25.031 2.296 0.552 0.538 1.000 0.500 CB 1.692 17 residues pruned to eliminate duplicates Z: 18 14.766 1.916 0.608 0.437 0.941 0.706 CB 1.318 18 residues pruned to eliminate duplicates Z: 6 7.498 2.106 0.752 0.328 1.000 0.600 CB 1.097 Z: 10 7.905 1.771 0.454 0.415 1.000 0.667 CB 1.119 10 residues pruned to eliminate duplicates Z: 7 3.031 1.529 0.301 0.420 0.667 0.500 O 1.014 5 residues pruned to eliminate duplicates Z: 62 48.299 2.305 0.854 0.520 0.918 0.590 CB 1.545 62 residues pruned to eliminate duplicates Z: 10 16.614 2.119 0.600 0.815 0.889 0.444 CB 1.397 10 residues pruned to eliminate duplicates Z: 6 5.134 1.574 0.555 0.449 1.000 0.800 N 0.988 Z: 64 46.027 2.335 0.798 0.489 0.889 0.524 CB 1.571 64 residues pruned to eliminate duplicates Z: 50 44.405 2.297 0.952 0.527 0.878 0.592 CB 1.569 50 residues pruned to eliminate duplicates Z: 17 14.057 1.924 0.648 0.564 0.875 0.625 CB 1.191 17 residues pruned to eliminate duplicates Z: 8 4.023 1.400 0.533 0.436 0.857 0.571 CB 0.883 Z: 11 16.940 2.099 0.575 0.858 0.900 0.700 CB 1.325 11 residues pruned to eliminate duplicates Z: 52 41.671 2.297 0.872 0.509 0.882 0.569 CB 1.523 52 residues pruned to eliminate duplicates Z: 26 16.685 1.974 0.900 0.457 0.840 0.640 CB 1.107 26 residues pruned to eliminate duplicates Z: 19 21.381 2.255 0.566 0.532 0.889 0.556 CB 1.556 19 residues pruned to eliminate duplicates Z: 13 6.945 1.851 0.308 0.435 0.667 0.333 CB 1.328 13 residues pruned to eliminate duplicates Z: 7 3.855 1.689 -0.108 0.528 1.000 0.667 CB 1.016 5 residues pruned to eliminate duplicates Z: 7 20.620 2.378 0.684 0.790 1.000 1.000 CB 1.629 7 residues pruned to eliminate duplicates Z: 12 8.737 1.618 0.772 0.700 0.909 0.818 CB 0.842 12 residues pruned to eliminate duplicates Z: 20 14.102 2.232 0.708 0.381 0.842 0.579 CB 1.144 20 residues pruned to eliminate duplicates Z: 19 12.396 1.775 0.748 0.410 0.944 0.611 CB 1.095 19 residues pruned to eliminate duplicates Z: 14 18.207 1.866 0.992 0.633 0.846 0.769 CA 1.417 14 residues pruned to eliminate duplicates Z: 12 11.025 1.911 0.496 0.475 0.909 0.636 CB 1.311 12 residues pruned to eliminate duplicates Z: 20 28.615 2.175 0.921 0.609 1.000 0.842 CB 1.417 20 residues pruned to eliminate duplicates Z: 11 20.784 1.914 0.786 0.797 1.000 0.900 CA 1.482 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 10.978 2.038 0.980 0.314 0.750 0.417 CB 1.287 13 residues pruned to eliminate duplicates Z: 7 14.489 2.292 0.786 0.536 0.833 0.500 CB 1.674 7 residues pruned to eliminate duplicates Z: 60 45.906 2.353 0.879 0.480 0.864 0.627 CB 1.596 60 residues pruned to eliminate duplicates Z: 12 11.951 2.025 0.738 0.336 0.727 0.455 CB 1.684 12 residues pruned to eliminate duplicates Z: 9 10.008 2.114 0.428 0.510 0.750 0.375 CB 1.546 9 residues pruned to eliminate duplicates Z: 7 14.888 2.115 0.701 0.536 1.000 0.500 CA 1.630 7 residues pruned to eliminate duplicates Z: 10 14.298 2.163 0.711 0.454 0.889 0.444 CA 1.518 10 residues pruned to eliminate duplicates Z: 19 10.520 2.150 0.369 0.401 0.778 0.611 CB 1.202 19 residues pruned to eliminate duplicates Z: 29 9.773 2.082 0.386 0.376 0.750 0.536 CB 0.974 29 residues pruned to eliminate duplicates Z: 24 10.196 2.151 0.264 0.312 0.913 0.478 CB 1.055 24 residues pruned to eliminate duplicates Z: 24 14.601 2.258 0.474 0.413 0.826 0.609 CB 1.213 24 residues pruned to eliminate duplicates Z: 44 33.190 2.286 0.781 0.482 0.884 0.558 CB 1.432 44 residues pruned to eliminate duplicates Z: 19 12.266 2.203 0.561 0.412 0.833 0.556 CB 1.107 19 residues pruned to eliminate duplicates Z: 50 28.872 2.224 0.641 0.472 0.837 0.531 CB 1.389 50 residues pruned to eliminate duplicates Z: 20 13.463 2.176 0.741 0.386 0.895 0.684 CB 1.028 20 residues pruned to eliminate duplicates Z: 52 31.443 2.228 0.743 0.449 0.863 0.569 CB 1.385 52 residues pruned to eliminate duplicates Z: 65 44.587 2.334 0.817 0.478 0.859 0.547 CB 1.563 65 residues pruned to eliminate duplicates Z: 25 22.613 2.231 0.817 0.456 0.833 0.583 CB 1.430 25 residues pruned to eliminate duplicates Z: 49 47.633 2.373 0.919 0.521 0.896 0.562 CB 1.650 49 residues pruned to eliminate duplicates Z: 60 44.227 2.273 0.773 0.508 0.881 0.610 CB 1.607 60 residues pruned to eliminate duplicates Z: 101 51.821 2.172 0.872 0.500 0.890 0.600 CB 1.431 101 residues pruned to eliminate duplicates Z: 55 46.310 2.320 0.893 0.504 0.907 0.537 CB 1.574 55 residues pruned to eliminate duplicates Z: 10 6.573 1.896 0.411 0.258 0.778 0.333 CA 1.390 10 residues pruned to eliminate duplicates Z: 53 46.581 2.371 0.888 0.536 0.885 0.500 CB 1.574 53 residues pruned to eliminate duplicates Z: 87 49.599 2.358 0.785 0.491 0.860 0.500 CB 1.491 87 residues pruned to eliminate duplicates Z: 46 41.167 2.358 0.862 0.512 0.844 0.556 CB 1.636 46 residues pruned to eliminate duplicates Z: 65 44.311 2.311 0.825 0.490 0.859 0.609 CB 1.543 65 residues pruned to eliminate duplicates Z: 57 52.221 2.353 0.887 0.533 0.929 0.518 CB 1.639 57 residues pruned to eliminate duplicates Z: 76 48.796 2.352 0.796 0.485 0.867 0.560 CB 1.562 76 residues pruned to eliminate duplicates Z: 79 47.984 2.277 0.837 0.498 0.821 0.526 CB 1.587 79 residues pruned to eliminate duplicates Z: 53 45.437 2.350 0.925 0.521 0.865 0.596 CB 1.577 53 residues pruned to eliminate duplicates Z: 52 41.031 2.348 0.897 0.479 0.843 0.510 CB 1.563 52 residues pruned to eliminate duplicates Z: 56 47.337 2.344 0.826 0.545 0.873 0.600 CB 1.637 56 residues pruned to eliminate duplicates Z: 78 55.817 2.346 0.913 0.517 0.883 0.597 CB 1.579 78 residues pruned to eliminate duplicates Z: 18 28.956 2.311 1.106 0.574 0.882 0.588 CB 1.523 18 residues pruned to eliminate duplicates Z: 65 48.568 2.336 0.853 0.495 0.891 0.531 CB 1.581 65 residues pruned to eliminate duplicates Z: 28 33.115 2.307 0.853 0.521 0.852 0.481 CB 1.715 28 residues pruned to eliminate duplicates Z: 77 45.386 2.317 0.799 0.484 0.816 0.526 CB 1.555 77 residues pruned to eliminate duplicates Z: 79 46.397 2.297 0.743 0.493 0.897 0.500 CB 1.473 79 residues pruned to eliminate duplicates Z: 57 49.144 2.353 0.870 0.511 0.893 0.482 CB 1.653 57 residues pruned to eliminate duplicates Z: 63 39.931 2.305 0.845 0.469 0.855 0.581 CB 1.439 63 residues pruned to eliminate duplicates Z: 64 40.561 2.319 0.972 0.472 0.841 0.556 CB 1.367 64 residues pruned to eliminate duplicates Z: 54 46.616 2.335 1.071 0.521 0.830 0.547 CB 1.563 54 residues pruned to eliminate duplicates Z: 89 48.395 2.277 0.725 0.490 0.886 0.568 CB 1.497 89 residues pruned to eliminate duplicates Z: 52 50.543 2.382 0.971 0.541 0.882 0.529 CB 1.640 52 residues pruned to eliminate duplicates Z: 76 52.005 2.341 0.911 0.512 0.867 0.533 CB 1.530 76 residues pruned to eliminate duplicates Z: 50 51.096 2.414 1.013 0.545 0.898 0.571 CB 1.601 50 residues pruned to eliminate duplicates Z: 44 44.879 2.363 0.984 0.515 0.930 0.535 CB 1.546 44 residues pruned to eliminate duplicates Z: 53 46.241 2.321 0.917 0.534 0.865 0.519 CB 1.611 53 residues pruned to eliminate duplicates Z: 77 47.595 2.258 0.794 0.476 0.895 0.539 CB 1.543 77 residues pruned to eliminate duplicates Z: 59 44.828 2.297 0.894 0.514 0.862 0.552 CB 1.548 59 residues pruned to eliminate duplicates Z: 78 51.949 2.310 0.887 0.539 0.870 0.597 CB 1.502 78 residues pruned to eliminate duplicates Z: 63 49.988 2.356 0.966 0.504 0.871 0.597 CB 1.567 63 residues pruned to eliminate duplicates Z: 89 50.147 2.299 0.898 0.513 0.841 0.591 CB 1.437 89 residues pruned to eliminate duplicates Z: 59 43.121 2.349 0.939 0.487 0.879 0.638 CB 1.432 59 residues pruned to eliminate duplicates Z: 61 47.306 2.304 0.846 0.519 0.900 0.567 CB 1.567 61 residues pruned to eliminate duplicates Z: 26 20.208 2.295 0.753 0.330 0.800 0.480 CB 1.513 26 residues pruned to eliminate duplicates Z: 52 51.925 2.356 1.016 0.538 0.902 0.608 CB 1.635 52 residues pruned to eliminate duplicates Z: 88 48.454 2.306 0.844 0.488 0.874 0.598 CB 1.415 88 residues pruned to eliminate duplicates Z: 65 57.273 2.358 0.926 0.552 0.922 0.656 CB 1.625 65 residues pruned to eliminate duplicates Z: 17 13.502 2.140 0.479 0.473 0.875 0.625 CB 1.253 17 residues pruned to eliminate duplicates Z: 17 21.107 2.338 0.683 0.505 0.938 0.688 CB 1.423 17 residues pruned to eliminate duplicates Z: 82 43.997 2.265 0.778 0.484 0.852 0.568 CB 1.448 82 residues pruned to eliminate duplicates Z: 51 52.080 2.402 0.968 0.548 0.920 0.640 CB 1.616 51 residues pruned to eliminate duplicates Z: 66 41.970 2.288 0.803 0.483 0.831 0.538 CB 1.546 66 residues pruned to eliminate duplicates Z: 52 59.333 2.399 1.103 0.567 0.922 0.647 CB 1.674 52 residues pruned to eliminate duplicates Z: 86 43.759 2.213 0.775 0.470 0.812 0.518 CB 1.534 86 residues pruned to eliminate duplicates Z: 34 28.477 2.171 0.793 0.457 0.848 0.515 CB 1.570 34 residues pruned to eliminate duplicates Z: 65 55.481 2.348 0.945 0.551 0.922 0.531 CB 1.566 65 residues pruned to eliminate duplicates Z: 87 51.239 2.342 0.805 0.508 0.884 0.593 CB 1.467 87 residues pruned to eliminate duplicates Z: 13 27.149 2.335 0.827 0.670 0.917 0.750 CB 1.713 13 residues pruned to eliminate duplicates Z: 76 51.351 2.341 0.897 0.517 0.840 0.560 CB 1.563 76 residues pruned to eliminate duplicates Z: 14 23.152 2.182 0.920 0.674 0.846 0.692 CB 1.543 14 residues pruned to eliminate duplicates Z: 14 23.937 2.151 0.862 0.618 0.923 0.692 CB 1.607 14 residues pruned to eliminate duplicates Z: 77 57.525 2.356 0.932 0.520 0.895 0.632 CB 1.589 77 residues pruned to eliminate duplicates Z: 55 54.680 2.363 1.036 0.558 0.907 0.630 CB 1.611 55 residues pruned to eliminate duplicates Z: 13 27.866 2.333 0.939 0.652 0.917 0.667 CB 1.683 13 residues pruned to eliminate duplicates Z: 64 46.782 2.239 0.939 0.513 0.873 0.556 CB 1.536 64 residues pruned to eliminate duplicates Z: 14 25.677 2.196 1.143 0.631 0.846 0.692 CB 1.581 14 residues pruned to eliminate duplicates Z: 59 33.788 2.179 0.725 0.477 0.828 0.534 CB 1.458 59 residues pruned to eliminate duplicates Z: 14 27.812 2.266 1.124 0.663 0.846 0.615 CB 1.628 14 residues pruned to eliminate duplicates Z: 23 27.009 2.015 0.781 0.609 0.909 0.773 CB 1.591 23 residues pruned to eliminate duplicates Z: 23 27.964 2.019 0.859 0.619 0.909 0.818 CB 1.561 33 residues pruned to eliminate duplicates Z: 6 2.730 1.539 0.640 0.276 0.600 0.400 CA 1.039 6 residues pruned to eliminate duplicates Z: 21 31.533 2.081 0.914 0.643 0.950 0.750 CB 1.631 21 residues pruned to eliminate duplicates Z: 24 21.444 1.927 0.755 0.570 0.826 0.696 CB 1.496 24 residues pruned to eliminate duplicates Z: 23 26.062 1.985 0.763 0.578 0.909 0.682 CB 1.619 23 residues pruned to eliminate duplicates Z: 29 24.871 1.903 0.840 0.563 0.857 0.714 CB 1.473 29 residues pruned to eliminate duplicates Z: 23 23.298 1.982 0.690 0.572 0.864 0.682 CB 1.601 23 residues pruned to eliminate duplicates Z: 29 25.787 1.932 0.827 0.567 0.857 0.679 CB 1.509 29 residues pruned to eliminate duplicates Z: 7 4.043 1.904 0.196 0.304 0.833 0.500 CB 1.081 7 residues pruned to eliminate duplicates Z: 23 25.065 2.013 0.728 0.609 0.909 0.727 CB 1.524 23 residues pruned to eliminate duplicates Z: 6 3.159 1.372 0.234 0.294 1.000 0.800 N 1.051 6 residues pruned to eliminate duplicates Z: 45 30.161 2.200 0.806 0.473 0.818 0.591 CB 1.437 45 residues pruned to eliminate duplicates Z: 19 19.448 2.050 0.938 0.403 0.889 0.611 CB 1.437 19 residues pruned to eliminate duplicates Z: 11 12.498 2.129 0.520 0.343 0.900 0.800 CB 1.610 11 residues pruned to eliminate duplicates Z: 11 13.462 2.085 0.755 0.369 1.000 0.600 CB 1.339 11 residues pruned to eliminate duplicates Z: 11 12.230 2.098 0.711 0.351 0.900 0.600 CB 1.407 11 residues pruned to eliminate duplicates Z: 11 12.576 2.200 0.571 0.337 0.900 0.700 CB 1.528 11 residues pruned to eliminate duplicates Z: 36 27.628 1.981 0.720 0.554 0.943 0.543 CB 1.379 36 residues pruned to eliminate duplicates Z: 29 19.322 2.096 0.891 0.447 0.821 0.607 CB 1.184 29 residues pruned to eliminate duplicates Z: 28 19.295 2.053 0.850 0.439 0.852 0.630 CB 1.222 28 residues pruned to eliminate duplicates Z: 37 26.238 2.035 0.755 0.530 0.889 0.667 CB 1.338 37 residues pruned to eliminate duplicates Z: 39 33.205 2.072 0.779 0.591 1.000 0.737 CB 1.340 39 residues pruned to eliminate duplicates Z: 18 14.048 2.201 0.498 0.414 0.824 0.412 CB 1.373 18 residues pruned to eliminate duplicates Z: 16 13.802 2.088 0.853 0.501 0.867 0.467 CB 1.062 16 residues pruned to eliminate duplicates Z: 26 22.197 2.119 0.806 0.467 0.920 0.520 CB 1.305 26 residues pruned to eliminate duplicates Z: 49 30.744 2.018 0.794 0.488 0.896 0.625 CB 1.384 49 residues pruned to eliminate duplicates Z: 43 25.074 2.023 0.570 0.502 0.905 0.643 CB 1.344 43 residues pruned to eliminate duplicates Z: 45 27.620 2.009 0.760 0.528 0.909 0.636 CB 1.260 45 residues pruned to eliminate duplicates Z: 38 30.744 2.047 0.649 0.581 1.000 0.703 CB 1.385 38 residues pruned to eliminate duplicates Z: 29 19.846 1.876 0.678 0.543 0.929 0.500 CB 1.229 29 residues pruned to eliminate duplicates Z: 37 23.568 1.936 0.692 0.470 0.861 0.556 CB 1.435 37 residues pruned to eliminate duplicates Z: 49 31.451 2.036 0.765 0.518 0.896 0.562 CB 1.386 49 residues pruned to eliminate duplicates Z: 16 19.999 2.054 0.799 0.622 0.933 0.533 CB 1.335 16 residues pruned to eliminate duplicates Z: 52 27.723 1.970 0.671 0.484 0.941 0.667 CB 1.273 52 residues pruned to eliminate duplicates Z: 13 17.962 1.810 0.753 0.803 0.917 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 14 14.667 1.804 0.748 0.588 0.923 0.462 CA 1.285 14 residues pruned to eliminate duplicates Z: 16 20.086 1.987 0.947 0.647 0.867 0.600 CB 1.349 16 residues pruned to eliminate duplicates Z: 14 16.367 1.797 0.711 0.680 1.000 0.538 CB 1.251 14 residues pruned to eliminate duplicates Z: 31 20.587 2.127 0.656 0.528 0.800 0.467 CB 1.298 71 residues pruned to eliminate duplicates Z: 12 13.926 2.059 0.347 0.724 0.909 0.364 CB 1.361 Z: 12 17.998 1.852 0.753 0.788 0.909 0.545 CB 1.428 12 residues pruned to eliminate duplicates Z: 10 27.853 2.184 1.153 0.830 1.000 0.444 CB 1.484 12 residues pruned to eliminate duplicates Z: 10 21.364 2.173 1.163 0.847 0.778 0.556 CB 1.446 10 residues pruned to eliminate duplicates Z: 10 24.014 2.099 0.696 0.912 1.000 0.667 CB 1.593 10 residues pruned to eliminate duplicates Z: 71 48.121 2.126 0.856 0.539 0.929 0.671 CB 1.511 71 residues pruned to eliminate duplicates Z: 15 13.122 1.833 0.454 0.491 1.000 0.643 CB 1.328 15 residues pruned to eliminate duplicates Z: 51 33.704 2.022 0.777 0.547 0.940 0.700 CB 1.348 51 residues pruned to eliminate duplicates Z: 16 13.134 1.806 0.522 0.484 1.000 0.533 CB 1.255 16 residues pruned to eliminate duplicates Z: 20 12.860 1.673 0.605 0.549 0.947 0.684 CB 1.105 20 residues pruned to eliminate duplicates Z: 43 31.191 2.011 0.763 0.558 0.929 0.619 CB 1.382 43 residues pruned to eliminate duplicates Z: 34 27.241 1.981 0.686 0.590 0.939 0.727 CB 1.387 34 residues pruned to eliminate duplicates Z: 39 23.765 1.958 0.572 0.480 0.947 0.579 CB 1.348 39 residues pruned to eliminate duplicates Z: 44 30.153 2.020 0.817 0.532 0.977 0.674 CB 1.243 44 residues pruned to eliminate duplicates Z: 41 34.057 2.099 0.714 0.558 1.000 0.650 CB 1.414 41 residues pruned to eliminate duplicates Z: 14 9.851 1.689 0.385 0.478 1.000 0.615 CB 1.195 14 residues pruned to eliminate duplicates Z: 43 32.692 2.048 0.834 0.557 0.929 0.690 CB 1.368 43 residues pruned to eliminate duplicates Z: 17 20.029 2.116 0.942 0.583 0.875 0.750 CB 1.286 17 residues pruned to eliminate duplicates Z: 12 16.327 1.971 0.759 0.755 0.909 0.636 CB 1.244 12 residues pruned to eliminate duplicates Z: 16 20.086 2.031 1.051 0.585 0.867 0.667 CB 1.324 16 residues pruned to eliminate duplicates Z: 13 18.818 2.071 0.856 0.677 0.917 0.417 CB 1.310 12 residues pruned to eliminate duplicates Z: 11 26.384 2.214 0.839 0.885 1.000 0.800 CA 1.480 11 residues pruned to eliminate duplicates Z: 14 17.031 2.025 0.757 0.579 0.923 0.615 CB 1.334 14 residues pruned to eliminate duplicates Z: 18 19.800 1.896 1.099 0.576 0.882 0.471 CB 1.272 18 residues pruned to eliminate duplicates Z: 14 16.052 2.046 1.105 0.545 0.769 0.538 CB 1.287 14 residues pruned to eliminate duplicates Z: 14 14.778 1.907 0.818 0.654 0.846 0.692 CB 1.210 14 residues pruned to eliminate duplicates Z: 12 21.410 2.014 0.875 0.714 1.000 0.545 CB 1.407 12 residues pruned to eliminate duplicates Z: 13 21.302 1.914 1.027 0.751 1.000 0.583 CB 1.267 13 residues pruned to eliminate duplicates Z: 6 2.869 1.461 1.097 0.245 0.600 0.200 C 0.937 6 residues pruned to eliminate duplicates Z: 30 20.639 2.178 0.673 0.392 0.828 0.448 CB 1.425 30 residues pruned to eliminate duplicates Z: 68 42.252 2.236 0.767 0.466 0.896 0.582 CB 1.511 68 residues pruned to eliminate duplicates Z: 45 19.614 2.119 0.495 0.422 0.841 0.568 CB 1.204 45 residues pruned to eliminate duplicates Z: 51 40.592 2.348 0.776 0.479 0.920 0.600 CB 1.528 51 residues pruned to eliminate duplicates Z: 52 34.358 2.330 0.702 0.466 0.824 0.549 CB 1.525 52 residues pruned to eliminate duplicates Z: 46 45.447 2.363 0.999 0.523 0.867 0.667 CB 1.618 46 residues pruned to eliminate duplicates Z: 38 29.834 2.346 0.791 0.479 0.838 0.622 CB 1.424 38 residues pruned to eliminate duplicates Z: 17 10.208 2.056 0.474 0.314 0.875 0.688 CB 1.183 17 residues pruned to eliminate duplicates Z: 46 36.292 2.311 0.905 0.484 0.844 0.622 CB 1.478 46 residues pruned to eliminate duplicates Z: 51 44.407 2.328 0.948 0.514 0.920 0.580 CB 1.484 51 residues pruned to eliminate duplicates Z: 39 36.283 2.367 0.904 0.500 0.868 0.658 CB 1.503 39 residues pruned to eliminate duplicates Z: 60 44.811 2.324 0.943 0.487 0.881 0.661 CB 1.484 60 residues pruned to eliminate duplicates Z: 27 17.860 2.190 0.763 0.346 0.885 0.615 CB 1.213 27 residues pruned to eliminate duplicates Z: 54 42.201 2.340 0.925 0.502 0.868 0.604 CB 1.480 54 residues pruned to eliminate duplicates Z: 50 43.193 2.372 0.919 0.509 0.878 0.633 CB 1.532 50 residues pruned to eliminate duplicates Z: 60 40.881 2.325 0.787 0.497 0.881 0.593 CB 1.457 60 residues pruned to eliminate duplicates Z: 50 46.760 2.383 1.023 0.515 0.918 0.673 CB 1.486 50 residues pruned to eliminate duplicates Z: 58 42.473 2.325 0.868 0.488 0.877 0.596 CB 1.495 58 residues pruned to eliminate duplicates Z: 50 45.197 2.354 0.891 0.525 0.959 0.673 CB 1.475 50 residues pruned to eliminate duplicates Z: 53 39.108 2.332 0.810 0.492 0.885 0.615 CB 1.463 53 residues pruned to eliminate duplicates Z: 52 43.294 2.362 0.919 0.504 0.882 0.608 CB 1.509 52 residues pruned to eliminate duplicates Z: 59 46.938 2.315 0.967 0.492 0.914 0.586 CB 1.493 69 residues pruned to eliminate duplicates Z: 6 2.495 1.626 0.287 0.275 0.800 0.200 CA 0.860 6 residues pruned to eliminate duplicates Z: 40 47.392 2.377 0.930 0.565 0.949 0.692 CB 1.638 40 residues pruned to eliminate duplicates Z: 53 43.650 2.353 0.927 0.498 0.904 0.558 CB 1.480 53 residues pruned to eliminate duplicates Z: 56 41.288 2.266 0.774 0.508 0.891 0.600 CB 1.542 56 residues pruned to eliminate duplicates Z: 31 37.046 2.318 0.845 0.613 0.867 0.667 CB 1.640 31 residues pruned to eliminate duplicates Z: 73 44.773 2.288 0.762 0.481 0.931 0.625 CB 1.433 73 residues pruned to eliminate duplicates Z: 53 41.201 2.324 0.811 0.479 0.962 0.577 CB 1.442 53 residues pruned to eliminate duplicates Z: 51 38.821 2.340 0.760 0.490 0.920 0.620 CB 1.464 51 residues pruned to eliminate duplicates Z: 26 48.026 2.384 1.252 0.601 0.960 0.680 CB 1.692 26 residues pruned to eliminate duplicates Z: 52 46.401 2.395 0.980 0.506 0.902 0.608 CB 1.510 52 residues pruned to eliminate duplicates Z: 61 40.781 2.287 0.790 0.483 0.917 0.617 CB 1.428 61 residues pruned to eliminate duplicates Z: 51 36.827 2.353 0.863 0.480 0.860 0.620 CB 1.410 51 residues pruned to eliminate duplicates Z: 28 29.934 2.201 0.936 0.491 0.889 0.741 CB 1.535 28 residues pruned to eliminate duplicates Z: 43 44.149 2.381 0.938 0.515 0.929 0.619 CB 1.565 43 residues pruned to eliminate duplicates Z: 53 47.786 2.367 0.978 0.533 0.942 0.673 CB 1.455 53 residues pruned to eliminate duplicates Z: 33 32.969 2.221 0.995 0.481 0.906 0.562 CB 1.479 33 residues pruned to eliminate duplicates Z: 24 38.559 2.384 1.042 0.551 0.957 0.522 CB 1.643 24 residues pruned to eliminate duplicates Z: 47 39.511 2.346 0.767 0.497 0.935 0.609 CB 1.507 47 residues pruned to eliminate duplicates Z: 33 36.720 2.299 1.010 0.534 0.844 0.594 CB 1.610 33 residues pruned to eliminate duplicates Z: 49 43.897 2.365 0.829 0.508 0.958 0.542 CB 1.516 49 residues pruned to eliminate duplicates Z: 43 42.792 2.336 0.839 0.512 0.929 0.571 CB 1.635 43 residues pruned to eliminate duplicates Z: 25 39.889 2.324 1.049 0.591 0.958 0.708 CB 1.635 25 residues pruned to eliminate duplicates Z: 26 39.980 2.362 1.006 0.591 0.960 0.440 CB 1.612 26 residues pruned to eliminate duplicates Z: 60 38.270 2.275 0.799 0.475 0.915 0.593 CB 1.365 60 residues pruned to eliminate duplicates Z: 60 41.147 2.285 0.819 0.498 0.881 0.712 CB 1.465 60 residues pruned to eliminate duplicates Z: 52 39.520 2.317 0.753 0.489 0.922 0.608 CB 1.496 52 residues pruned to eliminate duplicates Z: 8 10.476 2.201 0.446 0.494 1.000 0.571 CA 1.252 8 residues pruned to eliminate duplicates Z: 7 5.221 1.776 0.686 0.414 1.000 0.667 CA 0.779 7 residues pruned to eliminate duplicates Z: 25 19.488 2.137 0.663 0.426 0.833 0.458 CB 1.449 25 residues pruned to eliminate duplicates Z: 13 17.065 2.242 0.296 0.580 1.000 0.583 CB 1.570 13 residues pruned to eliminate duplicates Z: 15 15.231 2.207 0.335 0.474 0.857 0.571 CB 1.655 15 residues pruned to eliminate duplicates Z: 13 11.424 2.117 0.306 0.434 0.917 0.583 CB 1.393 13 residues pruned to eliminate duplicates Z: 26 16.398 1.988 0.412 0.474 0.880 0.640 CB 1.363 26 residues pruned to eliminate duplicates Z: 25 16.325 2.050 0.524 0.480 0.833 0.667 CB 1.307 25 residues pruned to eliminate duplicates Z: 16 14.775 2.156 0.360 0.485 0.867 0.533 CB 1.523 16 residues pruned to eliminate duplicates Z: 25 17.309 2.014 0.555 0.425 0.875 0.667 CB 1.394 25 residues pruned to eliminate duplicates Z: 20 14.763 2.089 0.490 0.435 0.789 0.632 CB 1.473 20 residues pruned to eliminate duplicates Z: 18 11.798 1.990 0.358 0.413 0.824 0.588 CB 1.409 18 residues pruned to eliminate duplicates Z: 30 18.575 2.059 0.482 0.458 0.862 0.552 CB 1.368 30 residues pruned to eliminate duplicates Z: 33 12.396 1.935 0.164 0.390 0.844 0.656 CB 1.295 33 residues pruned to eliminate duplicates Z: 53 23.425 2.132 0.543 0.424 0.846 0.558 CB 1.264 53 residues pruned to eliminate duplicates Z: 18 15.345 2.036 0.398 0.419 0.941 0.588 CB 1.511 18 residues pruned to eliminate duplicates Z: 17 14.747 2.129 0.302 0.457 0.875 0.500 CB 1.589 17 residues pruned to eliminate duplicates Z: 19 22.872 1.850 0.747 0.610 1.000 0.556 CB 1.503 19 residues pruned to eliminate duplicates Z: 31 30.769 2.022 0.802 0.606 0.900 0.733 CB 1.548 31 residues pruned to eliminate duplicates Z: 17 18.062 1.920 0.585 0.580 0.875 0.625 CB 1.570 17 residues pruned to eliminate duplicates Z: 16 21.813 1.986 0.758 0.611 0.933 0.733 CB 1.555 16 residues pruned to eliminate duplicates Z: 17 27.488 1.968 0.875 0.756 0.938 0.875 CB 1.582 17 residues pruned to eliminate duplicates Z: 16 24.037 1.986 0.864 0.640 0.933 0.867 CB 1.576 16 residues pruned to eliminate duplicates Z: 17 20.478 1.948 0.722 0.638 0.875 0.875 CB 1.533 17 residues pruned to eliminate duplicates Z: 18 24.426 1.897 0.805 0.660 1.000 0.765 CB 1.492 18 residues pruned to eliminate duplicates Z: 16 26.725 2.025 0.944 0.647 0.933 0.867 CB 1.637 16 residues pruned to eliminate duplicates Z: 17 23.308 1.914 0.868 0.650 0.938 0.688 CB 1.512 17 residues pruned to eliminate duplicates Z: 17 24.532 1.937 0.800 0.689 1.000 0.750 CB 1.480 17 residues pruned to eliminate duplicates Z: 18 21.663 1.881 0.839 0.674 0.824 0.588 CA 1.572 18 residues pruned to eliminate duplicates Z: 21 21.040 2.162 0.671 0.492 0.850 0.500 CB 1.546 21 residues pruned to eliminate duplicates Z: 19 24.784 2.257 0.666 0.547 0.944 0.722 CB 1.571 19 residues pruned to eliminate duplicates Z: 21 23.565 2.172 0.775 0.521 0.850 0.500 CB 1.575 21 residues pruned to eliminate duplicates Z: 21 20.354 2.120 0.631 0.506 0.850 0.600 CB 1.540 21 residues pruned to eliminate duplicates Z: 21 20.610 2.176 0.523 0.482 0.950 0.550 CB 1.491 21 residues pruned to eliminate duplicates Z: 19 23.617 2.290 0.712 0.546 0.889 0.667 CB 1.528 19 residues pruned to eliminate duplicates Z: 19 25.319 2.263 0.645 0.561 1.000 0.556 CB 1.511 19 residues pruned to eliminate duplicates Z: 20 25.716 2.233 0.813 0.547 0.947 0.632 CB 1.469 20 residues pruned to eliminate duplicates Z: 20 22.588 2.206 0.592 0.491 0.947 0.684 CB 1.572 20 residues pruned to eliminate duplicates Z: 19 23.919 2.208 0.760 0.514 0.944 0.500 CB 1.515 19 residues pruned to eliminate duplicates Z: 21 24.209 2.167 0.768 0.519 0.950 0.650 CB 1.458 21 residues pruned to eliminate duplicates Z: 21 23.412 2.162 0.854 0.533 0.900 0.600 CB 1.405 21 residues pruned to eliminate duplicates Z: 19 25.527 2.231 0.832 0.519 1.000 0.611 CB 1.445 19 residues pruned to eliminate duplicates Z: 21 15.990 2.087 0.737 0.456 0.800 0.750 CB 1.289 21 residues pruned to eliminate duplicates Z: 20 26.125 2.210 0.907 0.526 1.000 0.684 CB 1.386 20 residues pruned to eliminate duplicates Z: 20 25.616 2.216 0.900 0.554 0.947 0.737 CB 1.398 20 residues pruned to eliminate duplicates Z: 11 12.455 1.837 0.643 0.541 0.900 0.600 CB 1.392 10 residues pruned to eliminate duplicates Z: 6 2.790 1.499 0.030 0.432 1.000 0.400 CB 0.867 6 residues pruned to eliminate duplicates Z: 11 14.215 1.922 0.506 0.482 1.000 0.600 CB 1.582 12 residues pruned to eliminate duplicates Z: 6 5.005 1.303 0.870 0.474 1.000 0.800 C 0.943 6 residues pruned to eliminate duplicates Z: 11 12.869 1.941 0.686 0.588 0.800 0.800 CA 1.428 11 residues pruned to eliminate duplicates Z: 10 11.634 1.980 0.877 0.542 0.778 0.778 CB 1.288 10 residues pruned to eliminate duplicates Z: 11 10.528 1.782 0.785 0.504 0.900 0.600 CB 1.158 11 residues pruned to eliminate duplicates Z: 6 4.777 1.575 0.611 0.596 0.800 0.800 CA 0.960 6 residues pruned to eliminate duplicates Z: 23 12.001 2.244 0.546 0.366 0.773 0.636 CB 1.102 23 residues pruned to eliminate duplicates Z: 23 16.011 2.226 0.534 0.368 0.955 0.636 CB 1.206 23 residues pruned to eliminate duplicates Z: 18 12.670 2.318 0.721 0.409 0.706 0.588 CB 1.200 18 residues pruned to eliminate duplicates Z: 19 12.762 2.229 0.643 0.374 0.833 0.389 CB 1.128 19 residues pruned to eliminate duplicates Z: 65 42.139 2.301 0.864 0.488 0.875 0.516 CB 1.420 65 residues pruned to eliminate duplicates Z: 24 12.451 2.100 0.604 0.404 0.783 0.609 CB 1.089 24 residues pruned to eliminate duplicates Z: 24 16.013 2.156 0.619 0.401 0.870 0.565 CB 1.221 24 residues pruned to eliminate duplicates Z: 8 9.990 1.951 0.329 0.529 1.000 0.714 CB 1.415 8 residues pruned to eliminate duplicates Z: 19 10.572 1.869 0.350 0.449 0.889 0.611 CB 1.170 19 residues pruned to eliminate duplicates Z: 24 23.427 2.096 0.762 0.479 0.913 0.609 CB 1.480 24 residues pruned to eliminate duplicates Z: 11 4.843 1.614 0.180 0.469 1.000 0.700 CB 0.830 11 residues pruned to eliminate duplicates Z: 22 23.064 2.083 0.814 0.488 0.905 0.619 CB 1.490 22 residues pruned to eliminate duplicates Z: 10 13.227 2.046 0.871 0.577 0.889 0.667 CB 1.203 10 residues pruned to eliminate duplicates Z: 23 21.888 1.995 0.921 0.441 1.000 0.636 CB 1.293 36 residues pruned to eliminate duplicates Z: 8 3.003 1.402 0.530 0.279 0.857 0.571 CA 0.793 8 residues pruned to eliminate duplicates Z: 11 7.461 1.946 0.409 0.456 0.700 0.400 CB 1.286 11 residues pruned to eliminate duplicates Z: 21 22.870 2.079 0.746 0.447 1.000 0.500 CB 1.488 21 residues pruned to eliminate duplicates Z: 23 26.668 2.151 0.765 0.501 0.955 0.591 CB 1.568 23 residues pruned to eliminate duplicates Z: 29 23.624 2.021 0.730 0.456 0.929 0.643 CB 1.438 29 residues pruned to eliminate duplicates Z: 20 21.935 2.159 0.826 0.490 0.895 0.632 CA 1.442 20 residues pruned to eliminate duplicates Z: 23 24.939 2.112 0.705 0.482 1.000 0.591 CA 1.503 23 residues pruned to eliminate duplicates Z: 24 26.530 2.070 0.893 0.548 0.913 0.522 CB 1.474 24 residues pruned to eliminate duplicates Z: 7 2.684 1.816 0.337 0.185 0.667 0.667 CA 0.989 7 residues pruned to eliminate duplicates Z: 24 26.246 2.061 0.754 0.539 0.957 0.652 CB 1.523 24 residues pruned to eliminate duplicates Z: 18 19.087 2.071 1.062 0.457 0.824 0.588 CB 1.375 18 residues pruned to eliminate duplicates Z: 23 20.540 2.010 0.737 0.461 1.000 0.591 CB 1.305 23 residues pruned to eliminate duplicates Z: 22 21.205 2.128 0.623 0.447 0.905 0.524 CA 1.564 22 residues pruned to eliminate duplicates Z: 24 17.842 1.985 0.614 0.425 0.957 0.565 CB 1.313 Z: 7 4.323 1.210 1.241 0.504 0.667 0.167 CA 0.972 7 residues pruned to eliminate duplicates Z: 72 39.934 2.240 0.781 0.466 0.901 0.521 CB 1.365 72 residues pruned to eliminate duplicates Z: 29 15.688 1.947 0.650 0.483 0.857 0.571 CB 1.095 29 residues pruned to eliminate duplicates Z: 30 16.337 1.917 0.657 0.436 0.862 0.414 CB 1.184 23 residues pruned to eliminate duplicates Z: 6 6.725 1.841 0.600 0.284 1.000 0.200 CB 1.304 6 residues pruned to eliminate duplicates Z: 17 13.986 1.892 0.729 0.451 1.000 0.688 CB 1.123 17 residues pruned to eliminate duplicates Z: 21 20.388 2.062 0.801 0.492 0.900 0.500 CB 1.376 31 residues pruned to eliminate duplicates Z: 6 3.574 1.924 0.133 0.361 1.000 0.200 CB 0.852 6 residues pruned to eliminate duplicates Z: 14 14.238 2.047 0.529 0.494 0.923 0.769 CB 1.375 12 residues pruned to eliminate duplicates Z: 6 3.853 1.537 0.941 0.338 0.800 0.600 CA 0.861 6 residues pruned to eliminate duplicates Z: 11 20.937 2.016 1.173 0.656 0.800 0.700 C 1.635 11 residues pruned to eliminate duplicates Z: 26 39.239 2.256 1.009 0.641 0.920 0.760 CB 1.650 32 residues pruned to eliminate duplicates Z: 7 5.099 1.668 0.728 0.541 0.833 0.667 CB 0.833 7 residues pruned to eliminate duplicates Z: 62 42.627 2.243 0.661 0.504 0.934 0.590 CB 1.562 62 residues pruned to eliminate duplicates Z: 26 36.976 2.229 1.034 0.592 0.920 0.720 CB 1.623 26 residues pruned to eliminate duplicates Z: 25 30.285 2.238 0.681 0.616 0.917 0.708 CB 1.605 25 residues pruned to eliminate duplicates Z: 34 28.490 2.264 0.558 0.484 0.879 0.636 CB 1.626 34 residues pruned to eliminate duplicates Z: 56 32.968 2.230 0.563 0.475 0.873 0.564 CB 1.499 56 residues pruned to eliminate duplicates Z: 21 20.944 2.242 0.609 0.510 0.850 0.600 CB 1.512 21 residues pruned to eliminate duplicates Z: 27 27.330 2.177 0.598 0.550 0.923 0.654 CB 1.590 27 residues pruned to eliminate duplicates Z: 41 38.315 2.248 0.771 0.540 0.900 0.650 CA 1.626 41 residues pruned to eliminate duplicates Z: 23 16.434 2.037 0.514 0.454 0.864 0.636 CB 1.379 23 residues pruned to eliminate duplicates Z: 27 28.295 2.183 0.756 0.517 0.885 0.615 CB 1.610 27 residues pruned to eliminate duplicates Z: 76 44.615 2.266 0.629 0.490 0.893 0.507 CB 1.578 76 residues pruned to eliminate duplicates Z: 54 42.832 2.295 0.734 0.478 0.943 0.547 CB 1.602 54 residues pruned to eliminate duplicates Z: 61 44.741 2.257 0.776 0.507 0.933 0.583 CB 1.533 61 residues pruned to eliminate duplicates Z: 78 50.687 2.248 0.783 0.489 0.948 0.623 CB 1.537 78 residues pruned to eliminate duplicates Z: 56 38.997 2.229 0.681 0.459 0.909 0.582 CB 1.610 56 residues pruned to eliminate duplicates Z: 62 44.354 2.220 0.712 0.504 0.934 0.623 CB 1.593 62 residues pruned to eliminate duplicates Z: 61 43.190 2.249 0.737 0.518 0.933 0.617 CB 1.503 61 residues pruned to eliminate duplicates Z: 59 44.687 2.252 0.745 0.492 0.931 0.569 CB 1.616 59 residues pruned to eliminate duplicates Z: 74 42.680 2.203 0.776 0.432 0.890 0.575 CB 1.538 74 residues pruned to eliminate duplicates Z: 41 32.635 2.238 0.628 0.449 0.950 0.600 CB 1.571 41 residues pruned to eliminate duplicates Z: 36 29.189 2.254 0.558 0.473 0.886 0.514 CA 1.631 36 residues pruned to eliminate duplicates Z: 41 29.365 2.200 0.607 0.430 0.925 0.475 CB 1.527 41 residues pruned to eliminate duplicates Z: 47 25.797 2.164 0.514 0.433 0.826 0.478 CB 1.507 47 residues pruned to eliminate duplicates Z: 36 27.945 2.181 0.621 0.477 0.914 0.486 CB 1.496 36 residues pruned to eliminate duplicates Z: 55 40.754 2.255 0.658 0.479 0.944 0.556 CB 1.604 55 residues pruned to eliminate duplicates Z: 39 31.768 2.247 0.649 0.454 0.895 0.553 CB 1.629 39 residues pruned to eliminate duplicates Z: 56 41.635 2.300 0.669 0.453 0.927 0.564 CB 1.656 56 residues pruned to eliminate duplicates Z: 17 16.348 2.044 0.781 0.400 0.875 0.438 CB 1.426 17 residues pruned to eliminate duplicates Z: 41 35.773 2.261 0.814 0.510 0.875 0.575 CB 1.561 41 residues pruned to eliminate duplicates Z: 35 25.693 2.217 0.518 0.455 0.912 0.588 CB 1.504 35 residues pruned to eliminate duplicates Z: 61 41.999 2.271 0.559 0.502 0.933 0.700 CB 1.638 61 residues pruned to eliminate duplicates Z: 40 30.932 2.230 0.577 0.444 0.923 0.538 CB 1.616 40 residues pruned to eliminate duplicates Z: 59 46.259 2.272 0.818 0.495 0.914 0.655 CB 1.618 59 residues pruned to eliminate duplicates Z: 56 35.975 2.215 0.608 0.443 0.927 0.600 CB 1.557 56 residues pruned to eliminate duplicates Z: 39 31.404 2.237 0.662 0.452 0.921 0.579 CB 1.562 39 residues pruned to eliminate duplicates Z: 60 43.468 2.256 0.723 0.504 0.915 0.593 CB 1.584 60 residues pruned to eliminate duplicates Z: 70 45.532 2.313 0.606 0.446 0.942 0.551 CB 1.657 70 residues pruned to eliminate duplicates Z: 19 20.504 2.206 0.535 0.439 1.000 0.667 CB 1.520 19 residues pruned to eliminate duplicates Z: 13 10.653 2.040 0.633 0.326 0.917 0.583 CA 1.219 13 residues pruned to eliminate duplicates Z: 18 13.966 2.015 0.602 0.332 0.882 0.471 CB 1.428 18 residues pruned to eliminate duplicates Z: 30 16.436 2.070 0.463 0.271 0.862 0.448 CB 1.516 30 residues pruned to eliminate duplicates Z: 17 11.065 2.029 0.442 0.255 0.938 0.500 CB 1.335 17 residues pruned to eliminate duplicates Z: 29 16.833 1.966 0.779 0.306 0.821 0.571 CB 1.374 29 residues pruned to eliminate duplicates Z: 37 32.923 2.290 0.621 0.442 0.972 0.500 CB 1.615 37 residues pruned to eliminate duplicates Z: 17 15.453 2.102 0.374 0.366 1.000 0.688 CB 1.545 17 residues pruned to eliminate duplicates Z: 88 48.452 2.231 0.702 0.489 0.897 0.690 CB 1.543 88 residues pruned to eliminate duplicates Z: 31 20.486 2.115 0.585 0.362 0.900 0.533 CA 1.439 31 residues pruned to eliminate duplicates Z: 37 31.703 2.279 0.717 0.427 0.917 0.500 CB 1.588 37 residues pruned to eliminate duplicates Z: 69 42.851 2.235 0.686 0.462 0.912 0.544 CB 1.571 69 residues pruned to eliminate duplicates Z: 18 8.880 1.942 0.199 0.252 0.882 0.412 CA 1.394 18 residues pruned to eliminate duplicates Z: 33 22.087 2.204 0.513 0.412 0.844 0.594 CB 1.522 33 residues pruned to eliminate duplicates Z: 71 43.627 2.280 0.683 0.466 0.900 0.657 CB 1.563 71 residues pruned to eliminate duplicates Z: 20 27.397 2.377 0.666 0.535 0.895 0.526 CB 1.714 20 residues pruned to eliminate duplicates Z: 57 38.235 2.280 0.579 0.446 0.929 0.518 CB 1.615 57 residues pruned to eliminate duplicates Z: 19 32.758 2.466 0.707 0.538 1.000 0.556 CA 1.767 19 residues pruned to eliminate duplicates Z: 22 29.011 2.302 0.894 0.476 0.905 0.571 CB 1.644 22 residues pruned to eliminate duplicates Z: 22 27.629 2.226 0.881 0.444 0.952 0.476 CB 1.601 22 residues pruned to eliminate duplicates Z: 37 26.034 2.165 0.764 0.363 0.889 0.556 CB 1.481 37 residues pruned to eliminate duplicates Z: 21 29.622 2.350 0.667 0.509 0.950 0.550 CB 1.765 21 residues pruned to eliminate duplicates Z: 72 45.605 2.276 0.683 0.448 0.944 0.620 CB 1.579 72 residues pruned to eliminate duplicates Z: 19 32.400 2.426 0.865 0.563 0.944 0.611 CA 1.681 19 residues pruned to eliminate duplicates Z: 57 41.285 2.279 0.678 0.469 0.929 0.607 CB 1.602 57 residues pruned to eliminate duplicates Z: 25 28.614 2.286 0.699 0.459 0.917 0.625 CB 1.710 25 residues pruned to eliminate duplicates Z: 20 37.801 2.483 0.933 0.537 0.947 0.684 CB 1.839 20 residues pruned to eliminate duplicates Z: 70 44.406 2.320 0.531 0.474 0.942 0.652 CB 1.640 70 residues pruned to eliminate duplicates Z: 72 44.403 2.320 0.630 0.439 0.901 0.592 CB 1.645 72 residues pruned to eliminate duplicates Z: 40 25.777 2.145 0.526 0.409 0.872 0.513 CB 1.591 40 residues pruned to eliminate duplicates 446 residues left after pruning, divided into chains as follows: A: 10 B: 13 C: 149 D: 107 E: 6 F: 47 G: 22 H: 92 CC for partial structure against native data = 39.84 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.456, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.520, Connect. = 0.735 for dens.mod. cycle 2 = 0.300, Contrast = 0.623, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.628, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.637, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.639, Connect. = 0.777 for dens.mod. cycle 6 = 0.300, Contrast = 0.643, Connect. = 0.778 for dens.mod. cycle 7 = 0.300, Contrast = 0.644, Connect. = 0.780 for dens.mod. cycle 8 = 0.300, Contrast = 0.645, Connect. = 0.781 for dens.mod. cycle 9 = 0.300, Contrast = 0.645, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3100 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 662 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 62 44.067 2.311 0.848 0.489 0.885 0.607 CB 1.508 B: 20 33.712 2.455 0.868 0.533 0.947 0.737 CB 1.723 C: 36 40.659 2.325 0.992 0.584 0.857 0.686 CB 1.597 D: 76 51.212 2.248 0.960 0.487 0.893 0.627 CB 1.521 50 residues pruned to eliminate duplicates E: 50 41.796 2.335 0.842 0.491 0.918 0.612 CB 1.525 34 residues pruned to eliminate duplicates F: 65 56.524 2.313 0.985 0.554 0.922 0.672 CB 1.584 64 residues pruned to eliminate duplicates G: 7 5.691 1.665 0.760 0.390 0.833 0.667 N 1.069 H: 51 40.989 2.330 0.904 0.463 0.880 0.600 CB 1.542 51 residues pruned to eliminate duplicates I: 19 30.349 2.247 1.251 0.505 0.833 0.556 CB 1.689 3 residues pruned to eliminate duplicates J: 30 23.011 2.231 0.725 0.536 0.759 0.517 CB 1.413 30 residues pruned to eliminate duplicates K: 53 44.245 2.346 0.933 0.493 0.923 0.596 CB 1.476 53 residues pruned to eliminate duplicates L: 22 19.118 2.140 0.748 0.533 0.905 0.619 CB 1.193 M: 78 52.975 2.274 0.765 0.488 0.922 0.610 CB 1.651 21 residues pruned to eliminate duplicates N: 77 55.871 2.317 0.695 0.504 0.961 0.618 CB 1.692 78 residues pruned to eliminate duplicates O: 61 46.391 2.311 0.719 0.445 0.950 0.600 CB 1.679 61 residues pruned to eliminate duplicates P: 11 15.518 2.140 0.736 0.434 1.000 0.600 CB 1.415 Q: 19 22.745 2.160 0.902 0.512 0.889 0.722 CB 1.449 20 residues pruned to eliminate duplicates R: 53 42.147 2.310 0.847 0.468 0.923 0.596 CB 1.533 53 residues pruned to eliminate duplicates S: 9 10.673 1.932 0.687 0.434 0.875 0.625 N 1.418 7 residues pruned to eliminate duplicates T: 55 46.936 2.325 0.761 0.477 0.944 0.611 CB 1.690 55 residues pruned to eliminate duplicates U: 113 59.320 2.258 0.775 0.517 0.911 0.679 CB 1.510 89 residues pruned to eliminate duplicates V: 36 27.997 2.254 0.596 0.465 0.829 0.543 CB 1.645 36 residues pruned to eliminate duplicates W: 23 18.055 2.261 0.359 0.427 0.909 0.545 CB 1.486 23 residues pruned to eliminate duplicates X: 61 44.035 2.336 0.883 0.479 0.883 0.583 CB 1.494 52 residues pruned to eliminate duplicates Y: 23 24.326 2.085 1.241 0.505 0.818 0.455 CB 1.349 23 residues pruned to eliminate duplicates Z: 12 20.928 2.384 0.919 0.494 0.818 0.636 CB 1.696 12 residues pruned to eliminate duplicates Z: 20 24.605 2.178 0.883 0.500 0.842 0.632 CB 1.635 20 residues pruned to eliminate duplicates Z: 19 23.498 2.243 1.139 0.422 0.889 0.611 CB 1.409 19 residues pruned to eliminate duplicates Z: 21 20.734 2.129 0.840 0.445 0.900 0.550 CB 1.392 Z: 18 19.299 2.357 0.607 0.457 0.765 0.412 CA 1.690 18 residues pruned to eliminate duplicates Z: 8 18.631 2.241 0.462 0.885 0.857 0.714 CB 1.810 Z: 28 18.788 2.055 0.824 0.416 0.815 0.556 CB 1.293 31 residues pruned to eliminate duplicates Z: 60 49.407 2.327 0.991 0.503 0.915 0.661 CB 1.512 61 residues pruned to eliminate duplicates Z: 19 36.405 2.369 1.117 0.551 0.944 0.667 CB 1.724 19 residues pruned to eliminate duplicates Z: 53 44.494 2.375 0.651 0.479 0.923 0.519 CB 1.741 53 residues pruned to eliminate duplicates Z: 88 56.924 2.347 0.916 0.514 0.885 0.621 CB 1.513 88 residues pruned to eliminate duplicates Z: 14 13.036 2.001 0.899 0.367 0.923 0.538 CB 1.188 14 residues pruned to eliminate duplicates Z: 61 43.799 2.317 0.820 0.508 0.917 0.600 CB 1.451 61 residues pruned to eliminate duplicates Z: 79 56.440 2.190 0.974 0.530 0.897 0.641 CB 1.600 65 residues pruned to eliminate duplicates Z: 11 7.472 2.007 0.444 0.321 0.800 0.400 CB 1.241 10 residues pruned to eliminate duplicates Z: 22 22.881 2.105 0.792 0.512 0.952 0.714 CB 1.374 Z: 79 50.885 2.311 0.875 0.507 0.885 0.615 CB 1.492 79 residues pruned to eliminate duplicates Z: 78 54.717 2.335 0.965 0.518 0.831 0.545 CB 1.606 78 residues pruned to eliminate duplicates Z: 27 32.242 2.356 0.700 0.504 0.962 0.423 CB 1.636 27 residues pruned to eliminate duplicates Z: 23 26.416 2.170 0.914 0.463 0.955 0.636 CB 1.474 21 residues pruned to eliminate duplicates Z: 17 22.319 1.966 0.698 0.636 0.938 0.750 CB 1.569 17 residues pruned to eliminate duplicates Z: 12 17.816 1.858 0.723 0.820 0.818 0.727 CB 1.553 9 residues pruned to eliminate duplicates Z: 31 33.301 2.293 0.738 0.472 0.933 0.567 CB 1.681 31 residues pruned to eliminate duplicates Z: 66 47.642 2.311 0.836 0.507 0.908 0.554 CB 1.524 66 residues pruned to eliminate duplicates Z: 19 23.222 2.248 0.779 0.511 0.944 0.556 CB 1.432 19 residues pruned to eliminate duplicates Z: 83 57.276 2.354 0.917 0.523 0.902 0.598 CB 1.518 83 residues pruned to eliminate duplicates Z: 87 51.572 2.315 0.894 0.488 0.872 0.616 CB 1.473 87 residues pruned to eliminate duplicates Z: 27 34.788 2.271 0.877 0.576 0.885 0.615 CA 1.681 27 residues pruned to eliminate duplicates Z: 17 26.003 1.960 0.735 0.709 1.000 0.812 CB 1.581 17 residues pruned to eliminate duplicates Z: 14 22.626 2.244 1.100 0.649 0.769 0.692 CB 1.507 14 residues pruned to eliminate duplicates Z: 55 42.556 2.295 0.660 0.480 0.926 0.630 CB 1.676 55 residues pruned to eliminate duplicates Z: 83 44.588 2.246 0.734 0.478 0.878 0.524 CB 1.473 83 residues pruned to eliminate duplicates Z: 56 37.916 2.288 0.894 0.481 0.855 0.600 CB 1.408 56 residues pruned to eliminate duplicates Z: 90 49.540 2.266 0.691 0.444 0.910 0.562 CB 1.595 90 residues pruned to eliminate duplicates Z: 74 38.762 2.301 0.788 0.438 0.822 0.562 CB 1.431 74 residues pruned to eliminate duplicates Z: 14 10.048 2.064 0.729 0.276 0.846 0.462 CB 1.189 14 residues pruned to eliminate duplicates Z: 11 19.238 2.051 0.756 0.819 0.800 0.600 CA 1.601 10 residues pruned to eliminate duplicates Z: 15 21.242 2.022 0.898 0.492 0.929 0.643 CB 1.607 Z: 78 50.559 2.276 0.716 0.498 0.909 0.597 CB 1.627 78 residues pruned to eliminate duplicates Z: 58 38.200 2.278 0.865 0.456 0.895 0.561 CB 1.392 58 residues pruned to eliminate duplicates Z: 34 31.798 2.297 0.752 0.531 0.879 0.455 CB 1.519 34 residues pruned to eliminate duplicates Z: 46 34.246 2.147 0.824 0.479 0.956 0.644 CB 1.394 41 residues pruned to eliminate duplicates Z: 54 42.106 2.341 0.837 0.496 0.887 0.679 CB 1.523 54 residues pruned to eliminate duplicates Z: 59 36.201 2.294 0.656 0.487 0.862 0.586 CB 1.470 60 residues pruned to eliminate duplicates Z: 74 49.344 2.338 0.836 0.484 0.932 0.603 CB 1.467 74 residues pruned to eliminate duplicates Z: 24 36.331 2.320 1.027 0.596 0.913 0.696 CB 1.609 24 residues pruned to eliminate duplicates Z: 14 17.693 2.081 0.976 0.446 1.000 0.769 CB 1.261 14 residues pruned to eliminate duplicates Z: 19 13.009 2.199 0.425 0.324 0.889 0.500 CB 1.336 19 residues pruned to eliminate duplicates Z: 63 53.770 2.376 1.032 0.511 0.903 0.629 CB 1.549 63 residues pruned to eliminate duplicates Z: 11 22.456 2.155 0.491 0.875 1.000 0.600 CA 1.607 12 residues pruned to eliminate duplicates Z: 9 14.254 2.046 0.698 0.562 1.000 0.875 CA 1.366 8 residues pruned to eliminate duplicates Z: 22 22.602 2.250 0.465 0.496 0.905 0.667 CA 1.661 22 residues pruned to eliminate duplicates Z: 11 15.272 2.159 0.740 0.628 0.900 0.700 CB 1.267 11 residues pruned to eliminate duplicates Z: 38 29.674 2.173 0.666 0.462 0.865 0.541 CB 1.620 38 residues pruned to eliminate duplicates Z: 80 46.251 2.247 0.768 0.481 0.886 0.608 CB 1.507 59 residues pruned to eliminate duplicates Z: 62 44.954 2.343 0.798 0.500 0.918 0.525 CB 1.487 62 residues pruned to eliminate duplicates Z: 21 15.383 2.028 0.480 0.342 0.900 0.500 CB 1.512 21 residues pruned to eliminate duplicates Z: 45 46.101 2.299 0.970 0.547 0.955 0.568 CB 1.536 45 residues pruned to eliminate duplicates Z: 28 25.691 2.103 0.585 0.567 0.889 0.593 CB 1.564 28 residues pruned to eliminate duplicates Z: 7 10.512 1.947 0.115 0.751 1.000 0.667 CA 1.580 Z: 10 16.959 2.026 0.958 0.577 0.889 0.667 CB 1.488 9 residues pruned to eliminate duplicates Z: 53 43.442 2.256 0.656 0.567 0.923 0.692 CB 1.638 56 residues pruned to eliminate duplicates Z: 10 23.411 2.094 0.771 0.882 1.000 0.667 CA 1.522 10 residues pruned to eliminate duplicates Z: 29 14.719 2.166 0.502 0.381 0.750 0.571 CB 1.294 29 residues pruned to eliminate duplicates Z: 38 33.393 2.273 0.772 0.435 0.919 0.595 CB 1.587 38 residues pruned to eliminate duplicates Z: 76 43.953 2.273 0.697 0.496 0.880 0.613 CB 1.500 76 residues pruned to eliminate duplicates Z: 18 21.525 2.248 0.944 0.465 0.824 0.588 CA 1.504 18 residues pruned to eliminate duplicates Z: 23 27.053 2.041 0.722 0.595 0.909 0.727 CB 1.649 15 residues pruned to eliminate duplicates Z: 54 37.195 2.285 0.569 0.461 0.887 0.566 CB 1.672 54 residues pruned to eliminate duplicates Z: 21 28.249 2.069 0.786 0.603 0.950 0.650 CB 1.631 21 residues pruned to eliminate duplicates Z: 58 42.015 2.292 0.906 0.493 0.930 0.579 CB 1.379 58 residues pruned to eliminate duplicates Z: 25 25.403 1.942 0.766 0.582 0.958 0.667 CB 1.459 25 residues pruned to eliminate duplicates Z: 76 43.123 2.236 0.595 0.474 0.893 0.653 CB 1.604 76 residues pruned to eliminate duplicates Z: 8 12.776 2.158 0.496 0.601 1.000 0.571 CB 1.358 8 residues pruned to eliminate duplicates Z: 24 23.931 1.986 0.720 0.589 0.870 0.696 CB 1.542 23 residues pruned to eliminate duplicates Z: 47 36.141 2.250 0.780 0.527 0.913 0.696 CB 1.419 47 residues pruned to eliminate duplicates Z: 24 19.920 2.103 0.697 0.529 0.870 0.739 CB 1.301 22 residues pruned to eliminate duplicates Z: 36 29.468 2.259 0.637 0.487 0.829 0.514 CA 1.646 36 residues pruned to eliminate duplicates Z: 21 30.128 2.242 1.208 0.521 0.850 0.650 CB 1.568 21 residues pruned to eliminate duplicates Z: 42 32.708 2.062 0.781 0.555 0.976 0.634 CB 1.352 35 residues pruned to eliminate duplicates Z: 89 51.910 2.299 0.857 0.500 0.886 0.568 CB 1.462 96 residues pruned to eliminate duplicates Z: 12 19.587 2.162 0.735 0.581 0.909 0.636 CA 1.603 12 residues pruned to eliminate duplicates Z: 75 50.774 2.353 0.794 0.499 0.919 0.581 CB 1.524 75 residues pruned to eliminate duplicates Z: 43 36.798 2.292 0.623 0.484 0.905 0.571 CB 1.715 43 residues pruned to eliminate duplicates Z: 80 44.119 2.283 0.715 0.480 0.848 0.582 CB 1.525 80 residues pruned to eliminate duplicates Z: 76 53.088 2.360 0.841 0.515 0.880 0.547 CB 1.579 76 residues pruned to eliminate duplicates Z: 15 16.877 2.184 0.924 0.575 0.786 0.500 CB 1.271 15 residues pruned to eliminate duplicates Z: 18 33.456 2.296 1.032 0.600 1.000 0.765 CB 1.582 18 residues pruned to eliminate duplicates Z: 17 10.812 1.943 0.288 0.416 0.812 0.562 CB 1.451 17 residues pruned to eliminate duplicates Z: 10 11.169 2.123 0.600 0.464 0.778 0.444 CB 1.462 9 residues pruned to eliminate duplicates Z: 29 22.523 2.041 0.728 0.477 0.964 0.536 CB 1.281 29 residues pruned to eliminate duplicates Z: 35 33.166 2.244 0.580 0.515 0.941 0.588 CB 1.680 35 residues pruned to eliminate duplicates Z: 54 41.524 2.324 0.877 0.500 0.887 0.604 CB 1.474 54 residues pruned to eliminate duplicates Z: 19 14.997 2.046 0.654 0.434 0.833 0.667 CB 1.341 12 residues pruned to eliminate duplicates Z: 23 23.044 1.981 0.640 0.564 0.909 0.591 CB 1.563 23 residues pruned to eliminate duplicates Z: 6 11.396 2.251 1.287 0.482 0.600 0.400 CA 1.680 6 residues pruned to eliminate duplicates Z: 23 27.111 2.071 0.693 0.594 0.909 0.727 CB 1.657 24 residues pruned to eliminate duplicates Z: 18 14.812 2.043 0.418 0.397 0.882 0.471 CB 1.567 18 residues pruned to eliminate duplicates Z: 70 46.965 2.332 0.774 0.492 0.899 0.580 CB 1.533 70 residues pruned to eliminate duplicates Z: 52 47.215 2.312 0.923 0.538 0.882 0.627 CB 1.624 52 residues pruned to eliminate duplicates Z: 10 21.050 2.240 0.881 0.876 0.889 0.667 CB 1.362 Z: 10 12.572 1.897 0.913 0.595 0.889 0.556 CB 1.187 10 residues pruned to eliminate duplicates Z: 25 19.500 2.079 0.605 0.524 0.917 0.500 CB 1.271 25 residues pruned to eliminate duplicates Z: 26 18.087 2.012 0.596 0.529 0.880 0.680 CB 1.243 21 residues pruned to eliminate duplicates Z: 89 56.021 2.353 0.862 0.502 0.898 0.534 CB 1.515 89 residues pruned to eliminate duplicates Z: 76 45.285 2.264 0.617 0.475 0.907 0.587 CB 1.616 76 residues pruned to eliminate duplicates Z: 17 17.663 1.985 0.910 0.461 0.875 0.562 CB 1.385 17 residues pruned to eliminate duplicates Z: 31 23.849 2.060 0.725 0.485 0.967 0.500 CB 1.287 31 residues pruned to eliminate duplicates Z: 85 46.052 2.263 0.655 0.449 0.893 0.500 CB 1.583 85 residues pruned to eliminate duplicates Z: 21 11.585 1.895 0.436 0.388 0.850 0.700 CB 1.262 21 residues pruned to eliminate duplicates Z: 80 57.080 2.368 0.964 0.536 0.873 0.620 CB 1.526 80 residues pruned to eliminate duplicates Z: 33 30.209 2.155 0.841 0.482 0.844 0.531 CB 1.624 33 residues pruned to eliminate duplicates Z: 24 17.496 2.052 0.589 0.503 0.870 0.565 CB 1.283 24 residues pruned to eliminate duplicates Z: 81 46.032 2.332 0.696 0.479 0.913 0.550 CB 1.458 81 residues pruned to eliminate duplicates Z: 11 10.463 1.892 0.574 0.347 0.900 0.600 CB 1.458 11 residues pruned to eliminate duplicates Z: 65 41.467 2.276 0.854 0.480 0.844 0.562 CB 1.486 65 residues pruned to eliminate duplicates Z: 7 12.712 2.036 0.356 0.705 1.000 0.833 CB 1.559 7 residues pruned to eliminate duplicates Z: 24 20.196 1.978 0.532 0.538 0.870 0.609 CB 1.539 24 residues pruned to eliminate duplicates Z: 24 21.304 2.057 0.820 0.476 0.870 0.609 CB 1.398 24 residues pruned to eliminate duplicates Z: 14 7.021 1.653 0.496 0.344 0.846 0.462 N 1.103 14 residues pruned to eliminate duplicates Z: 23 8.458 1.669 0.477 0.346 0.773 0.545 CB 1.118 13 residues pruned to eliminate duplicates Z: 19 23.624 2.217 0.885 0.487 0.944 0.667 CB 1.429 19 residues pruned to eliminate duplicates Z: 26 12.697 2.140 0.311 0.411 0.800 0.520 CB 1.242 26 residues pruned to eliminate duplicates Z: 10 6.326 1.891 0.625 0.564 0.778 0.667 CB 0.829 10 residues pruned to eliminate duplicates Z: 11 16.763 1.987 0.406 0.831 0.900 0.800 CB 1.585 11 residues pruned to eliminate duplicates Z: 89 57.438 2.346 0.880 0.500 0.920 0.534 CB 1.508 89 residues pruned to eliminate duplicates Z: 7 6.616 1.584 0.458 0.649 0.833 0.667 N 1.221 7 residues pruned to eliminate duplicates Z: 19 21.998 2.196 0.864 0.491 0.833 0.611 CA 1.533 19 residues pruned to eliminate duplicates Z: 78 56.579 2.295 0.773 0.501 0.935 0.597 CB 1.693 78 residues pruned to eliminate duplicates Z: 65 47.980 2.340 0.883 0.499 0.859 0.516 CB 1.586 65 residues pruned to eliminate duplicates Z: 16 16.453 2.223 0.697 0.429 0.933 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 17 25.287 1.986 0.839 0.704 0.938 0.812 CB 1.534 17 residues pruned to eliminate duplicates Z: 21 22.007 2.193 0.849 0.481 0.850 0.500 CB 1.454 21 residues pruned to eliminate duplicates Z: 10 18.660 2.187 0.763 0.861 0.889 0.333 CB 1.334 10 residues pruned to eliminate duplicates Z: 7 6.246 1.625 0.599 0.437 0.833 0.500 CA 1.256 7 residues pruned to eliminate duplicates Z: 11 21.906 2.229 0.701 0.878 0.900 0.600 CA 1.473 10 residues pruned to eliminate duplicates Z: 14 12.055 1.810 1.055 0.603 0.846 0.538 CA 0.963 14 residues pruned to eliminate duplicates Z: 18 11.804 2.254 0.295 0.394 0.824 0.529 CB 1.333 18 residues pruned to eliminate duplicates Z: 77 53.943 2.335 0.720 0.490 0.921 0.539 CB 1.689 77 residues pruned to eliminate duplicates Z: 9 6.846 1.803 0.182 0.524 0.750 0.750 C 1.479 Z: 12 22.479 2.056 0.976 0.762 1.000 0.545 CB 1.322 11 residues pruned to eliminate duplicates Z: 23 18.974 2.059 0.744 0.489 0.909 0.727 CB 1.253 23 residues pruned to eliminate duplicates Z: 21 13.481 1.941 0.621 0.520 0.850 0.700 CB 1.106 21 residues pruned to eliminate duplicates Z: 21 21.820 2.121 1.049 0.484 0.850 0.650 CB 1.342 21 residues pruned to eliminate duplicates Z: 20 30.918 2.227 1.268 0.538 0.895 0.632 CB 1.512 20 residues pruned to eliminate duplicates Z: 10 21.484 2.102 0.765 0.799 0.889 0.556 CB 1.672 10 residues pruned to eliminate duplicates Z: 56 39.521 2.214 0.708 0.505 0.909 0.600 CB 1.542 56 residues pruned to eliminate duplicates Z: 15 24.463 2.035 0.739 0.691 1.000 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 7 17.890 2.165 1.186 0.646 0.833 0.667 CB 1.616 7 residues pruned to eliminate duplicates Z: 49 32.152 2.052 0.794 0.513 0.938 0.708 CB 1.327 49 residues pruned to eliminate duplicates Z: 22 20.678 2.098 0.817 0.467 0.810 0.571 CB 1.512 22 residues pruned to eliminate duplicates Z: 6 13.763 2.036 0.985 0.657 1.000 1.000 CA 1.317 6 residues pruned to eliminate duplicates Z: 50 43.237 2.331 0.964 0.475 0.878 0.571 CB 1.576 50 residues pruned to eliminate duplicates Z: 39 37.253 2.220 0.748 0.480 0.921 0.526 CA 1.726 39 residues pruned to eliminate duplicates Z: 28 24.327 2.094 0.772 0.484 0.963 0.630 CB 1.331 29 residues pruned to eliminate duplicates Z: 8 6.657 1.708 0.747 0.480 0.857 0.571 CB 1.004 Z: 7 5.762 1.848 -0.203 0.821 1.000 0.667 CB 1.208 Z: 51 37.723 2.201 0.688 0.555 0.920 0.700 CB 1.480 51 residues pruned to eliminate duplicates Z: 11 20.981 2.176 0.847 0.831 0.900 0.700 CA 1.379 11 residues pruned to eliminate duplicates Z: 12 16.752 1.979 0.512 0.816 0.818 0.545 CB 1.568 12 residues pruned to eliminate duplicates Z: 23 27.202 2.060 0.642 0.639 0.909 0.773 CB 1.655 23 residues pruned to eliminate duplicates Z: 24 29.424 2.031 0.699 0.620 0.957 0.783 CB 1.659 24 residues pruned to eliminate duplicates Z: 13 23.091 2.265 0.958 0.683 0.833 0.667 CB 1.525 13 residues pruned to eliminate duplicates Z: 90 51.225 2.274 0.802 0.510 0.843 0.596 CB 1.556 90 residues pruned to eliminate duplicates Z: 11 13.467 1.903 0.565 0.850 0.900 0.700 CA 1.177 11 residues pruned to eliminate duplicates Z: 20 14.803 1.868 0.680 0.495 0.789 0.579 CB 1.378 20 residues pruned to eliminate duplicates Z: 12 16.103 2.166 0.774 0.457 0.818 0.545 CB 1.614 12 residues pruned to eliminate duplicates Z: 52 46.263 2.367 0.861 0.527 0.863 0.529 CB 1.660 52 residues pruned to eliminate duplicates Z: 25 21.296 2.156 0.744 0.511 0.917 0.542 CB 1.247 25 residues pruned to eliminate duplicates Z: 11 7.621 1.703 0.702 0.437 0.900 0.600 CB 0.986 11 residues pruned to eliminate duplicates Z: 23 28.035 2.063 0.707 0.604 0.955 0.773 CB 1.611 23 residues pruned to eliminate duplicates Z: 26 18.614 2.072 0.761 0.462 0.880 0.560 CB 1.205 26 residues pruned to eliminate duplicates Z: 6 7.782 2.137 0.288 0.741 0.800 0.600 CB 1.273 6 residues pruned to eliminate duplicates Z: 9 13.368 1.784 0.668 0.590 1.000 0.500 CB 1.457 9 residues pruned to eliminate duplicates Z: 26 26.700 2.143 0.657 0.549 0.880 0.640 CB 1.629 26 residues pruned to eliminate duplicates Z: 17 19.534 2.119 0.615 0.607 0.875 0.562 CB 1.473 17 residues pruned to eliminate duplicates Z: 12 17.188 2.087 1.035 0.612 0.818 0.545 CB 1.342 12 residues pruned to eliminate duplicates Z: 73 44.388 2.318 0.819 0.474 0.875 0.542 CB 1.456 80 residues pruned to eliminate duplicates Z: 11 20.042 2.195 0.730 0.713 0.900 0.500 CA 1.529 11 residues pruned to eliminate duplicates Z: 21 12.067 2.174 0.364 0.340 0.850 0.550 CB 1.274 21 residues pruned to eliminate duplicates Z: 16 15.772 1.890 0.723 0.513 0.800 0.400 CB 1.543 16 residues pruned to eliminate duplicates Z: 11 19.982 2.158 0.794 0.824 0.900 0.800 CA 1.369 11 residues pruned to eliminate duplicates Z: 21 24.115 2.222 0.650 0.517 0.900 0.450 CB 1.607 21 residues pruned to eliminate duplicates Z: 84 41.723 2.229 0.712 0.476 0.843 0.602 CB 1.458 84 residues pruned to eliminate duplicates Z: 88 50.237 2.314 0.780 0.489 0.885 0.609 CB 1.495 88 residues pruned to eliminate duplicates Z: 16 13.453 2.130 0.573 0.434 0.733 0.600 CB 1.513 16 residues pruned to eliminate duplicates Z: 49 39.393 2.083 0.900 0.565 0.958 0.729 CB 1.408 49 residues pruned to eliminate duplicates Z: 22 26.463 2.073 0.623 0.588 0.952 0.714 CB 1.657 22 residues pruned to eliminate duplicates Z: 23 20.256 2.076 0.493 0.545 1.000 0.682 CB 1.333 23 residues pruned to eliminate duplicates Z: 16 13.068 2.067 0.710 0.427 0.800 0.400 CB 1.287 16 residues pruned to eliminate duplicates Z: 55 49.342 2.368 0.950 0.526 0.870 0.667 CB 1.628 55 residues pruned to eliminate duplicates Z: 6 6.473 1.632 0.560 0.530 0.800 0.600 CA 1.380 Z: 24 28.521 2.018 0.713 0.628 0.913 0.696 CA 1.671 24 residues pruned to eliminate duplicates Z: 26 16.845 2.013 0.508 0.529 0.840 0.720 CB 1.284 26 residues pruned to eliminate duplicates Z: 7 2.599 1.707 -0.322 0.701 0.833 0.667 CB 0.916 Z: 77 43.707 2.266 0.534 0.486 0.921 0.632 CB 1.588 77 residues pruned to eliminate duplicates Z: 45 34.692 2.287 0.778 0.528 0.886 0.591 CB 1.411 45 residues pruned to eliminate duplicates Z: 26 13.184 2.166 0.339 0.358 0.840 0.640 CB 1.262 26 residues pruned to eliminate duplicates Z: 11 5.099 1.675 0.130 0.319 0.700 0.500 N 1.485 11 residues pruned to eliminate duplicates Z: 11 14.752 1.929 0.510 0.802 0.900 0.400 CB 1.367 11 residues pruned to eliminate duplicates Z: 46 28.458 2.211 0.395 0.464 0.889 0.467 CB 1.604 46 residues pruned to eliminate duplicates Z: 10 19.903 2.192 0.721 0.788 0.778 0.556 CA 1.755 10 residues pruned to eliminate duplicates Z: 24 22.281 2.098 0.607 0.552 0.870 0.565 CB 1.506 24 residues pruned to eliminate duplicates Z: 17 14.250 2.046 0.681 0.316 0.938 0.562 CB 1.354 17 residues pruned to eliminate duplicates Z: 7 8.218 1.685 0.120 0.886 1.000 1.000 CB 1.283 7 residues pruned to eliminate duplicates Z: 47 32.662 2.089 0.769 0.548 0.935 0.587 CB 1.329 47 residues pruned to eliminate duplicates Z: 9 15.429 2.106 0.555 0.658 1.000 0.875 CB 1.439 9 residues pruned to eliminate duplicates Z: 44 32.392 2.260 0.809 0.477 0.860 0.628 CB 1.438 44 residues pruned to eliminate duplicates Z: 39 28.194 2.083 0.905 0.521 0.842 0.579 CB 1.341 39 residues pruned to eliminate duplicates Z: 8 10.509 1.984 0.625 0.679 0.714 0.714 CA 1.463 8 residues pruned to eliminate duplicates Z: 6 3.819 1.808 -0.442 0.767 1.000 1.000 CB 1.337 Z: 55 31.729 2.180 0.570 0.397 0.907 0.500 CB 1.550 55 residues pruned to eliminate duplicates Z: 13 13.725 2.068 0.770 0.452 0.750 0.417 CB 1.517 13 residues pruned to eliminate duplicates Z: 43 31.049 2.077 0.772 0.538 0.952 0.595 CB 1.316 43 residues pruned to eliminate duplicates Z: 8 25.645 2.240 0.923 0.802 1.000 0.857 CA 1.728 8 residues pruned to eliminate duplicates Z: 16 9.645 1.757 0.444 0.414 1.000 0.600 CB 1.075 16 residues pruned to eliminate duplicates Z: 12 15.541 1.907 0.679 0.743 0.909 0.545 CA 1.295 12 residues pruned to eliminate duplicates Z: 8 5.635 1.659 0.189 0.586 1.000 0.857 CB 0.994 8 residues pruned to eliminate duplicates Z: 11 22.426 2.216 0.766 0.837 1.000 0.800 CA 1.355 12 residues pruned to eliminate duplicates Z: 11 3.595 1.843 -0.234 0.372 0.900 0.400 CB 1.027 Z: 50 33.621 2.085 0.783 0.541 0.918 0.633 CB 1.352 50 residues pruned to eliminate duplicates Z: 16 24.336 2.050 0.776 0.669 0.933 0.800 CB 1.582 16 residues pruned to eliminate duplicates Z: 59 39.044 2.311 0.705 0.487 0.862 0.603 CB 1.529 59 residues pruned to eliminate duplicates Z: 9 5.440 1.840 -0.287 0.760 0.875 0.875 N 1.329 11 residues pruned to eliminate duplicates Z: 50 25.396 2.028 0.643 0.467 0.898 0.551 CB 1.253 50 residues pruned to eliminate duplicates Z: 13 12.905 2.341 0.767 0.398 0.750 0.417 CB 1.338 13 residues pruned to eliminate duplicates Z: 9 5.631 1.466 0.631 0.391 0.875 0.375 N 1.068 9 residues pruned to eliminate duplicates Z: 7 6.312 1.959 0.021 0.699 1.000 0.500 CB 1.074 Z: 13 13.686 2.157 0.639 0.478 0.833 0.583 CB 1.371 13 residues pruned to eliminate duplicates Z: 36 22.302 2.032 0.703 0.455 0.886 0.629 CB 1.288 60 residues pruned to eliminate duplicates Z: 37 32.668 2.140 0.835 0.548 0.944 0.722 CB 1.400 37 residues pruned to eliminate duplicates Z: 23 26.740 2.082 0.672 0.600 0.909 0.727 CB 1.637 23 residues pruned to eliminate duplicates Z: 19 14.965 1.938 0.570 0.443 0.944 0.556 CB 1.301 19 residues pruned to eliminate duplicates Z: 25 22.428 2.173 0.791 0.496 0.875 0.625 CB 1.349 25 residues pruned to eliminate duplicates Z: 9 3.922 1.864 -0.254 0.684 0.875 0.750 CB 0.963 9 residues pruned to eliminate duplicates Z: 77 43.080 2.310 0.766 0.455 0.842 0.566 CB 1.506 84 residues pruned to eliminate duplicates Z: 53 40.673 2.321 0.628 0.471 0.904 0.596 CB 1.701 53 residues pruned to eliminate duplicates Z: 8 3.087 1.673 0.099 0.407 0.571 0.286 CB 1.223 Z: 50 36.184 2.082 0.862 0.542 0.918 0.673 CB 1.394 50 residues pruned to eliminate duplicates Z: 9 9.632 1.721 0.588 0.557 1.000 0.875 CA 1.179 9 residues pruned to eliminate duplicates Z: 9 3.295 1.599 -0.018 0.369 0.750 0.375 N 1.139 Z: 9 8.527 1.741 0.370 0.509 1.000 0.625 CB 1.252 9 residues pruned to eliminate duplicates Z: 16 31.428 2.035 1.009 0.694 1.000 0.800 CA 1.663 16 residues pruned to eliminate duplicates Z: 20 20.893 2.052 0.798 0.523 1.000 0.579 CB 1.269 20 residues pruned to eliminate duplicates Z: 6 6.853 1.916 0.378 0.785 1.000 0.600 CB 0.903 Z: 65 50.328 2.363 0.800 0.546 0.906 0.562 CB 1.561 65 residues pruned to eliminate duplicates Z: 56 44.365 2.360 0.839 0.537 0.855 0.545 CB 1.555 56 residues pruned to eliminate duplicates Z: 16 23.095 2.109 1.017 0.665 0.933 0.667 CB 1.289 15 residues pruned to eliminate duplicates Z: 86 51.648 2.231 0.781 0.448 0.918 0.576 CB 1.621 86 residues pruned to eliminate duplicates Z: 28 14.723 1.806 0.521 0.439 0.852 0.519 CB 1.290 28 residues pruned to eliminate duplicates Z: 88 52.299 2.338 0.814 0.506 0.862 0.632 CB 1.525 94 residues pruned to eliminate duplicates Z: 11 10.689 1.931 0.814 0.440 0.700 0.500 CB 1.467 11 residues pruned to eliminate duplicates Z: 17 16.755 2.035 0.730 0.474 0.812 0.500 CB 1.502 17 residues pruned to eliminate duplicates Z: 10 7.016 1.853 -0.179 0.710 1.000 0.778 CB 1.271 9 residues pruned to eliminate duplicates Z: 14 12.640 1.894 0.762 0.471 0.846 0.692 CA 1.279 14 residues pruned to eliminate duplicates Z: 25 22.622 2.071 0.806 0.486 0.958 0.583 CB 1.307 25 residues pruned to eliminate duplicates Z: 17 27.771 1.988 0.824 0.667 1.000 0.750 CA 1.641 17 residues pruned to eliminate duplicates Z: 50 36.837 2.307 0.636 0.494 0.918 0.531 CB 1.528 50 residues pruned to eliminate duplicates Z: 6 5.266 1.818 -0.108 0.708 1.000 0.800 CB 1.202 Z: 84 54.998 2.284 0.953 0.495 0.867 0.554 CB 1.567 84 residues pruned to eliminate duplicates Z: 12 16.985 2.032 0.988 0.656 1.000 0.909 CA 1.097 12 residues pruned to eliminate duplicates Z: 12 13.496 1.922 0.761 0.430 0.909 0.636 CB 1.422 12 residues pruned to eliminate duplicates Z: 50 34.617 2.067 0.860 0.536 0.939 0.714 CB 1.322 50 residues pruned to eliminate duplicates Z: 64 32.731 2.093 0.625 0.487 0.905 0.492 CB 1.358 64 residues pruned to eliminate duplicates Z: 37 28.256 2.149 0.717 0.518 0.861 0.528 CB 1.456 37 residues pruned to eliminate duplicates Z: 9 14.853 2.028 0.837 0.641 0.875 0.750 CB 1.412 Z: 8 4.657 1.861 -0.227 0.654 0.857 0.571 CB 1.237 Z: 7 6.750 1.692 0.146 0.780 1.000 0.500 CB 1.111 7 residues pruned to eliminate duplicates Z: 23 18.060 2.092 0.760 0.448 0.818 0.636 CB 1.348 8 residues pruned to eliminate duplicates Z: 13 8.387 1.668 0.332 0.597 1.000 0.667 CB 0.994 Z: 15 21.875 1.999 1.241 0.651 0.857 0.500 CB 1.322 11 residues pruned to eliminate duplicates Z: 20 15.079 2.040 0.691 0.415 0.842 0.526 CB 1.302 21 residues pruned to eliminate duplicates Z: 17 25.866 1.994 0.813 0.666 0.938 0.812 CB 1.637 17 residues pruned to eliminate duplicates Z: 66 41.021 2.267 0.808 0.497 0.892 0.538 CB 1.395 66 residues pruned to eliminate duplicates Z: 19 18.010 2.149 0.844 0.502 0.778 0.611 CB 1.374 6 residues pruned to eliminate duplicates Z: 8 3.749 1.260 0.164 0.776 1.000 0.571 N 0.757 8 residues pruned to eliminate duplicates Z: 24 23.087 1.940 0.727 0.634 0.957 0.783 CB 1.325 24 residues pruned to eliminate duplicates Z: 17 22.415 2.006 0.996 0.605 0.938 0.688 CB 1.351 17 residues pruned to eliminate duplicates Z: 7 8.700 1.646 0.759 0.638 1.000 0.500 CA 1.077 Z: 61 41.564 2.296 0.834 0.480 0.867 0.567 CB 1.500 61 residues pruned to eliminate duplicates Z: 6 5.803 1.720 -0.029 0.825 1.000 1.000 N 1.172 Z: 10 7.593 1.910 0.433 0.484 0.778 0.444 CB 1.208 10 residues pruned to eliminate duplicates Z: 12 14.476 2.022 0.973 0.432 0.818 0.455 CB 1.435 12 residues pruned to eliminate duplicates Z: 54 40.282 2.287 0.871 0.478 0.868 0.566 CB 1.523 54 residues pruned to eliminate duplicates Z: 7 11.060 1.989 0.377 0.685 1.000 0.667 CB 1.391 Z: 25 23.747 2.297 0.904 0.504 0.875 0.792 CB 1.262 25 residues pruned to eliminate duplicates Z: 12 6.227 1.732 0.323 0.604 1.000 0.636 CB 0.742 12 residues pruned to eliminate duplicates Z: 74 48.071 2.282 0.955 0.485 0.877 0.589 CB 1.461 74 residues pruned to eliminate duplicates Z: 80 40.703 2.211 0.630 0.497 0.899 0.646 CB 1.418 80 residues pruned to eliminate duplicates Z: 11 4.989 1.592 0.452 0.419 0.700 0.400 CB 1.062 9 residues pruned to eliminate duplicates Z: 25 11.382 2.009 0.318 0.313 0.917 0.542 CB 1.177 25 residues pruned to eliminate duplicates Z: 8 2.607 1.756 -0.232 0.491 0.714 0.714 CB 1.031 Z: 6 5.564 1.656 0.750 0.416 1.000 0.600 CB 0.937 Z: 13 10.936 1.992 0.382 0.368 0.917 0.750 CB 1.442 13 residues pruned to eliminate duplicates Z: 21 21.424 2.107 0.908 0.522 0.900 0.700 CB 1.296 23 residues pruned to eliminate duplicates Z: 8 4.984 1.785 0.775 0.497 0.857 0.714 CB 0.695 Z: 12 19.508 1.913 0.593 0.834 1.000 0.909 CA 1.447 12 residues pruned to eliminate duplicates Z: 6 5.636 1.579 0.132 0.515 1.000 0.800 CA 1.390 6 residues pruned to eliminate duplicates Z: 22 21.486 2.147 0.537 0.493 0.952 0.571 CB 1.502 22 residues pruned to eliminate duplicates Z: 24 21.167 2.068 0.774 0.541 0.870 0.652 CB 1.329 21 residues pruned to eliminate duplicates Z: 8 3.309 1.507 -0.112 0.483 0.857 0.571 CB 1.109 Z: 16 12.684 1.909 0.283 0.586 0.933 0.600 CB 1.319 16 residues pruned to eliminate duplicates Z: 6 2.882 1.601 0.378 0.430 0.800 0.600 CB 0.786 Z: 10 20.847 2.098 0.763 0.838 1.000 0.889 CA 1.404 10 residues pruned to eliminate duplicates Z: 11 17.709 2.142 0.578 0.862 0.900 0.800 CA 1.352 11 residues pruned to eliminate duplicates Z: 28 27.050 2.183 0.574 0.482 0.926 0.556 CB 1.667 28 residues pruned to eliminate duplicates Z: 27 16.470 2.078 0.379 0.498 0.885 0.500 CB 1.277 40 residues pruned to eliminate duplicates Z: 16 27.873 2.005 0.958 0.720 0.933 0.733 CB 1.610 16 residues pruned to eliminate duplicates Z: 11 39.031 2.475 1.099 0.805 1.000 0.900 CB 1.821 11 residues pruned to eliminate duplicates Z: 14 15.485 1.842 0.984 0.528 0.923 0.769 CA 1.238 14 residues pruned to eliminate duplicates Z: 26 31.729 2.177 1.003 0.621 0.840 0.760 CB 1.545 26 residues pruned to eliminate duplicates Z: 23 23.363 2.011 0.652 0.563 0.909 0.682 CB 1.552 23 residues pruned to eliminate duplicates Z: 15 14.240 1.918 0.650 0.508 0.929 0.643 CB 1.285 15 residues pruned to eliminate duplicates Z: 24 23.663 1.934 0.579 0.590 0.957 0.652 CB 1.550 23 residues pruned to eliminate duplicates Z: 38 38.183 2.009 0.856 0.644 0.946 0.838 CB 1.556 36 residues pruned to eliminate duplicates Z: 11 10.547 1.532 0.762 0.704 0.900 0.900 CB 1.140 Z: 35 29.062 2.015 0.707 0.607 0.941 0.735 CB 1.391 35 residues pruned to eliminate duplicates Z: 16 22.703 2.053 1.176 0.609 0.867 0.667 CB 1.365 16 residues pruned to eliminate duplicates Z: 8 4.122 1.572 0.074 0.554 0.857 0.429 CB 1.022 Z: 11 14.698 2.097 0.468 0.523 1.000 0.500 CA 1.475 11 residues pruned to eliminate duplicates Z: 11 8.450 1.476 0.812 0.597 0.900 0.700 CB 1.012 11 residues pruned to eliminate duplicates Z: 8 5.423 1.652 -0.044 0.618 0.857 0.857 N 1.355 Z: 6 4.392 1.475 0.787 0.525 0.800 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 13 4.798 1.559 -0.064 0.424 0.917 0.417 CB 1.121 13 residues pruned to eliminate duplicates Z: 6 5.750 1.978 -0.380 0.848 1.000 1.000 CB 1.554 6 residues pruned to eliminate duplicates Z: 6 4.819 1.840 -0.183 0.668 0.800 0.600 CB 1.534 Z: 16 17.775 2.054 0.413 0.548 1.000 0.800 CB 1.509 16 residues pruned to eliminate duplicates Z: 50 43.168 2.326 0.695 0.484 0.939 0.571 CB 1.693 50 residues pruned to eliminate duplicates Z: 11 6.944 1.690 -0.210 0.806 1.000 0.800 CB 1.258 11 residues pruned to eliminate duplicates Z: 26 11.473 1.845 0.369 0.433 0.880 0.720 CB 1.107 26 residues pruned to eliminate duplicates Z: 16 14.540 1.789 0.958 0.564 0.867 0.733 CB 1.163 14 residues pruned to eliminate duplicates Z: 16 21.272 1.905 0.799 0.699 1.000 0.867 CB 1.337 16 residues pruned to eliminate duplicates Z: 23 24.486 2.030 0.511 0.645 0.909 0.818 CB 1.636 23 residues pruned to eliminate duplicates Z: 14 20.396 1.957 0.717 0.672 1.000 0.692 CB 1.437 14 residues pruned to eliminate duplicates Z: 68 39.622 2.233 0.665 0.498 0.896 0.627 CB 1.457 68 residues pruned to eliminate duplicates Z: 26 35.352 2.223 1.115 0.620 0.920 0.760 CB 1.459 26 residues pruned to eliminate duplicates Z: 7 3.980 1.590 0.450 0.582 0.667 0.500 N 0.977 Z: 10 12.451 1.990 0.638 0.533 0.889 0.889 CB 1.387 10 residues pruned to eliminate duplicates Z: 10 6.002 1.861 -0.119 0.597 0.778 0.444 CB 1.430 12 residues pruned to eliminate duplicates Z: 14 16.978 2.097 0.898 0.541 0.846 0.692 CB 1.343 14 residues pruned to eliminate duplicates Z: 77 54.961 2.322 0.971 0.534 0.855 0.566 CB 1.559 77 residues pruned to eliminate duplicates Z: 11 6.474 1.596 0.491 0.559 1.000 0.600 CB 0.812 Z: 23 19.429 2.097 0.476 0.460 0.955 0.500 CB 1.460 23 residues pruned to eliminate duplicates Z: 9 6.219 1.780 0.828 0.399 0.750 0.625 CB 1.002 9 residues pruned to eliminate duplicates Z: 16 11.956 2.205 0.398 0.444 0.800 0.400 CB 1.326 16 residues pruned to eliminate duplicates Z: 42 26.177 2.031 0.558 0.464 0.976 0.537 CB 1.374 42 residues pruned to eliminate duplicates Z: 12 7.713 1.597 0.474 0.532 0.909 0.455 CA 1.053 12 residues pruned to eliminate duplicates Z: 9 10.219 1.933 0.811 0.855 0.500 0.250 CA 1.524 9 residues pruned to eliminate duplicates Z: 23 25.780 2.187 0.877 0.513 0.909 0.682 CB 1.453 23 residues pruned to eliminate duplicates Z: 25 19.633 2.067 0.685 0.450 0.875 0.500 CB 1.384 25 residues pruned to eliminate duplicates Z: 9 7.231 1.759 0.014 0.646 1.000 0.625 CB 1.251 6 residues pruned to eliminate duplicates Z: 16 15.252 2.093 0.700 0.364 0.933 0.400 CB 1.372 16 residues pruned to eliminate duplicates Z: 6 2.964 1.318 0.340 0.569 0.800 0.600 C 0.877 Z: 9 7.530 1.589 0.503 0.593 1.000 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 20 35.225 2.234 0.991 0.699 0.947 0.895 CA 1.599 20 residues pruned to eliminate duplicates Z: 7 5.472 1.831 0.025 0.650 0.833 0.667 CB 1.242 7 residues pruned to eliminate duplicates Z: 23 24.303 2.168 0.831 0.570 0.909 0.773 CB 1.341 24 residues pruned to eliminate duplicates Z: 32 28.184 2.146 0.887 0.460 0.871 0.645 CB 1.495 32 residues pruned to eliminate duplicates Z: 26 18.510 2.035 0.634 0.447 0.920 0.560 CB 1.278 26 residues pruned to eliminate duplicates Z: 63 44.989 2.295 0.783 0.533 0.887 0.645 CB 1.524 63 residues pruned to eliminate duplicates Z: 76 44.339 2.234 0.786 0.502 0.880 0.600 CB 1.456 76 residues pruned to eliminate duplicates Z: 7 3.480 1.624 -0.181 0.575 1.000 0.667 CB 0.994 Z: 9 9.203 1.771 0.279 0.532 1.000 0.625 O 1.392 6 residues pruned to eliminate duplicates Z: 18 14.562 1.873 0.615 0.455 0.824 0.588 CB 1.486 18 residues pruned to eliminate duplicates Z: 30 24.106 2.065 0.818 0.475 0.966 0.517 CB 1.267 30 residues pruned to eliminate duplicates Z: 79 50.905 2.299 0.883 0.518 0.859 0.564 CB 1.523 79 residues pruned to eliminate duplicates Z: 8 5.535 1.462 0.573 0.552 1.000 0.714 CB 0.865 8 residues pruned to eliminate duplicates Z: 14 13.687 2.053 0.751 0.443 0.846 0.692 CB 1.324 14 residues pruned to eliminate duplicates Z: 10 7.579 1.571 0.270 0.508 1.000 0.667 N 1.257 10 residues pruned to eliminate duplicates Z: 7 6.701 1.719 -0.077 0.727 1.000 0.833 C 1.407 6 residues pruned to eliminate duplicates Z: 6 9.838 1.851 0.800 0.612 1.000 0.800 N 1.187 Z: 9 7.081 1.707 0.252 0.734 1.000 0.750 CB 0.949 Z: 6 4.099 1.510 1.322 0.268 0.600 0.400 CB 1.134 Z: 12 7.655 1.432 0.645 0.651 1.000 0.818 CB 0.852 11 residues pruned to eliminate duplicates Z: 8 10.380 1.789 0.642 0.741 1.000 0.857 CB 1.076 8 residues pruned to eliminate duplicates Z: 12 10.649 1.988 0.469 0.392 0.818 0.545 CB 1.506 12 residues pruned to eliminate duplicates Z: 20 22.785 2.189 0.686 0.546 0.947 0.684 CB 1.428 20 residues pruned to eliminate duplicates Z: 32 24.085 2.259 0.737 0.457 0.871 0.581 CB 1.322 32 residues pruned to eliminate duplicates Z: 16 26.851 1.993 0.789 0.723 1.000 0.867 CB 1.590 16 residues pruned to eliminate duplicates Z: 9 10.637 1.934 0.781 0.702 1.000 0.750 CB 0.909 9 residues pruned to eliminate duplicates Z: 20 12.178 1.996 0.395 0.408 0.842 0.474 CB 1.312 20 residues pruned to eliminate duplicates Z: 10 7.686 1.879 -0.050 0.631 0.778 0.778 N 1.632 8 residues pruned to eliminate duplicates Z: 24 21.712 1.980 0.517 0.602 0.870 0.652 CB 1.572 24 residues pruned to eliminate duplicates Z: 54 30.756 2.176 0.561 0.422 0.887 0.547 CB 1.521 54 residues pruned to eliminate duplicates Z: 15 9.346 1.679 1.004 0.420 0.786 0.571 CB 1.027 15 residues pruned to eliminate duplicates Z: 36 31.055 2.266 0.632 0.476 0.886 0.543 CB 1.642 36 residues pruned to eliminate duplicates Z: 42 48.207 2.393 1.097 0.552 0.854 0.634 CB 1.672 42 residues pruned to eliminate duplicates Z: 77 52.363 2.264 0.758 0.491 0.934 0.605 CB 1.630 77 residues pruned to eliminate duplicates Z: 18 12.884 2.043 0.442 0.273 0.882 0.412 CB 1.556 18 residues pruned to eliminate duplicates Z: 16 18.323 2.023 0.538 0.623 0.867 0.667 CB 1.562 16 residues pruned to eliminate duplicates Z: 6 4.940 1.587 0.087 0.581 1.000 0.600 O 1.184 Z: 28 38.926 2.298 0.982 0.556 0.926 0.667 CB 1.682 28 residues pruned to eliminate duplicates Z: 16 11.024 1.867 0.681 0.374 0.867 0.600 CB 1.196 16 residues pruned to eliminate duplicates Z: 21 22.686 2.146 0.767 0.555 0.950 0.650 CB 1.335 21 residues pruned to eliminate duplicates Z: 8 13.672 1.661 0.900 0.750 1.000 0.857 CB 1.310 8 residues pruned to eliminate duplicates Z: 16 9.767 1.998 0.120 0.472 0.867 0.667 CB 1.338 16 residues pruned to eliminate duplicates Z: 7 2.341 1.692 -0.190 0.531 1.000 0.833 CB 0.676 7 residues pruned to eliminate duplicates Z: 61 46.358 2.297 0.946 0.492 0.867 0.533 CB 1.557 61 residues pruned to eliminate duplicates Z: 6 7.601 1.885 -0.035 0.813 1.000 1.000 CB 1.424 6 residues pruned to eliminate duplicates Z: 43 29.213 2.198 0.729 0.493 0.833 0.571 CB 1.433 43 residues pruned to eliminate duplicates Z: 6 7.918 1.597 0.708 0.757 1.000 0.800 CA 1.033 6 residues pruned to eliminate duplicates Z: 18 21.813 2.193 0.747 0.507 0.941 0.588 CB 1.456 18 residues pruned to eliminate duplicates Z: 89 50.759 2.302 0.851 0.492 0.864 0.580 CB 1.483 89 residues pruned to eliminate duplicates Z: 10 7.850 1.629 0.335 0.595 1.000 0.556 CB 1.099 11 residues pruned to eliminate duplicates Z: 36 21.501 1.874 0.682 0.503 0.914 0.686 CB 1.258 36 residues pruned to eliminate duplicates Z: 7 6.341 1.622 0.200 0.652 0.833 0.667 CB 1.385 7 residues pruned to eliminate duplicates Z: 8 4.118 1.410 0.479 0.397 0.857 0.429 CB 0.971 8 residues pruned to eliminate duplicates Z: 26 29.471 2.168 0.813 0.596 0.920 0.640 CB 1.488 26 residues pruned to eliminate duplicates Z: 56 38.439 2.261 0.559 0.445 0.927 0.527 CB 1.678 56 residues pruned to eliminate duplicates Z: 7 2.336 1.614 -0.221 0.613 1.000 0.500 CB 0.681 Z: 12 9.219 2.059 0.521 0.417 0.727 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 13 12.428 1.863 0.519 0.588 0.917 0.750 CB 1.272 13 residues pruned to eliminate duplicates Z: 50 35.408 2.270 0.793 0.503 0.857 0.653 CB 1.445 50 residues pruned to eliminate duplicates Z: 20 23.906 2.199 0.563 0.559 0.947 0.632 CB 1.590 20 residues pruned to eliminate duplicates Z: 54 50.488 2.318 0.975 0.536 0.925 0.642 CB 1.582 54 residues pruned to eliminate duplicates Z: 13 20.377 2.075 1.105 0.663 0.833 0.417 CB 1.390 13 residues pruned to eliminate duplicates Z: 14 16.667 2.049 0.663 0.483 0.923 0.462 CA 1.495 14 residues pruned to eliminate duplicates Z: 55 35.058 2.178 0.594 0.533 0.889 0.593 CB 1.496 38 residues pruned to eliminate duplicates Z: 11 13.976 1.841 0.679 0.636 1.000 0.800 CB 1.258 11 residues pruned to eliminate duplicates Z: 53 41.566 2.257 0.825 0.448 0.904 0.519 CB 1.634 53 residues pruned to eliminate duplicates Z: 10 19.641 2.126 0.519 0.900 0.889 0.667 CA 1.629 9 residues pruned to eliminate duplicates Z: 54 46.187 2.337 0.855 0.511 0.887 0.585 CB 1.632 54 residues pruned to eliminate duplicates Z: 84 38.954 2.135 0.756 0.496 0.867 0.639 CB 1.320 84 residues pruned to eliminate duplicates Z: 8 3.822 1.613 -0.017 0.489 0.857 0.429 CB 1.075 8 residues pruned to eliminate duplicates Z: 13 5.452 1.599 -0.087 0.446 0.833 0.417 C 1.366 8 residues pruned to eliminate duplicates Z: 6 5.218 1.946 -0.352 0.873 1.000 1.000 CB 1.348 6 residues pruned to eliminate duplicates Z: 7 2.662 1.611 0.007 0.411 0.833 0.500 CB 0.882 7 residues pruned to eliminate duplicates Z: 14 11.528 2.000 0.666 0.459 0.769 0.769 CB 1.302 14 residues pruned to eliminate duplicates Z: 7 11.356 1.976 1.009 0.701 1.000 0.833 N 0.973 6 residues pruned to eliminate duplicates Z: 14 7.512 1.953 0.300 0.346 0.846 0.462 CB 1.146 14 residues pruned to eliminate duplicates Z: 11 6.647 1.659 0.626 0.458 0.800 0.600 CB 1.016 11 residues pruned to eliminate duplicates Z: 39 25.094 2.082 0.573 0.501 0.868 0.658 CB 1.430 39 residues pruned to eliminate duplicates Z: 12 4.852 1.569 0.407 0.471 0.909 0.636 CB 0.751 12 residues pruned to eliminate duplicates Z: 12 14.282 1.973 0.670 0.805 0.909 0.636 CB 1.101 12 residues pruned to eliminate duplicates Z: 47 33.278 2.258 0.585 0.472 0.891 0.587 CB 1.584 47 residues pruned to eliminate duplicates Z: 9 12.426 1.597 0.964 0.766 0.875 0.875 CB 1.265 10 residues pruned to eliminate duplicates Z: 75 49.877 2.345 0.752 0.502 0.919 0.595 CB 1.533 75 residues pruned to eliminate duplicates Z: 7 4.527 1.635 0.166 0.595 0.833 0.667 N 1.063 7 residues pruned to eliminate duplicates Z: 7 9.439 1.534 0.751 0.686 1.000 0.833 CA 1.209 7 residues pruned to eliminate duplicates Z: 6 2.087 1.380 0.425 0.284 0.600 0.400 N 1.009 Z: 28 36.273 2.283 0.864 0.549 0.926 0.630 CB 1.689 28 residues pruned to eliminate duplicates Z: 9 3.700 1.723 0.639 0.265 0.625 0.500 CB 0.969 9 residues pruned to eliminate duplicates Z: 11 15.603 1.994 1.023 0.493 0.900 0.500 CB 1.369 11 residues pruned to eliminate duplicates Z: 50 34.668 2.045 0.978 0.549 0.918 0.673 CB 1.271 50 residues pruned to eliminate duplicates Z: 11 14.583 2.234 0.613 0.600 0.700 0.600 CB 1.663 11 residues pruned to eliminate duplicates Z: 16 10.459 1.990 0.335 0.313 0.800 0.600 CB 1.563 16 residues pruned to eliminate duplicates Z: 12 12.740 2.092 0.197 0.539 1.000 0.636 CA 1.477 12 residues pruned to eliminate duplicates Z: 9 9.412 1.812 0.409 0.481 1.000 0.625 CA 1.329 9 residues pruned to eliminate duplicates 6 0.876 1.703 0.276 0.624 0.800 0.600 CB 0.201 ? Z: 9 14.198 1.637 0.982 0.890 1.000 1.000 CB 1.113 10 residues pruned to eliminate duplicates Z: 9 10.566 1.837 0.571 0.532 1.000 0.625 CA 1.255 9 residues pruned to eliminate duplicates Z: 49 28.319 2.258 0.576 0.466 0.812 0.583 CB 1.464 49 residues pruned to eliminate duplicates Z: 8 7.061 1.520 0.743 0.540 1.000 0.714 CB 0.969 8 residues pruned to eliminate duplicates Z: 20 23.611 2.161 0.580 0.585 0.947 0.579 CB 1.543 20 residues pruned to eliminate duplicates Z: 12 8.775 1.980 0.442 0.289 0.909 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 43 27.646 2.032 0.643 0.548 0.929 0.667 CB 1.314 43 residues pruned to eliminate duplicates Z: 9 3.652 1.733 0.040 0.661 1.000 0.625 CB 0.617 Z: 8 3.471 1.411 0.134 0.477 0.714 0.571 CB 1.175 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 16.439 1.998 0.932 0.749 0.700 0.600 CA 1.540 11 residues pruned to eliminate duplicates Z: 17 15.247 1.903 0.902 0.607 0.750 0.375 CB 1.269 17 residues pruned to eliminate duplicates Z: 13 21.540 1.900 1.036 0.669 1.000 0.500 CB 1.375 12 residues pruned to eliminate duplicates Z: 11 15.507 1.939 1.015 0.756 0.700 0.400 CA 1.428 11 residues pruned to eliminate duplicates Z: 17 14.241 1.851 0.812 0.533 0.812 0.438 CB 1.264 17 residues pruned to eliminate duplicates Z: 13 19.668 1.919 0.924 0.671 0.917 0.417 CB 1.433 13 residues pruned to eliminate duplicates Z: 10 24.007 2.194 1.123 0.850 0.778 0.444 CB 1.636 15 residues pruned to eliminate duplicates Z: 12 20.098 1.835 0.879 0.785 1.000 0.545 CA 1.367 11 residues pruned to eliminate duplicates Z: 8 13.913 1.876 0.736 0.750 1.000 0.714 CB 1.293 8 residues pruned to eliminate duplicates Z: 14 17.763 2.141 0.979 0.616 0.769 0.538 CB 1.355 14 residues pruned to eliminate duplicates Z: 14 20.492 2.164 0.845 0.612 0.923 0.615 CB 1.386 14 residues pruned to eliminate duplicates Z: 17 21.593 2.047 1.123 0.566 0.938 0.625 CB 1.243 17 residues pruned to eliminate duplicates Z: 14 15.200 2.123 0.722 0.554 0.846 0.692 CB 1.293 14 residues pruned to eliminate duplicates Z: 16 21.531 2.114 1.116 0.630 0.867 0.667 CB 1.270 16 residues pruned to eliminate duplicates Z: 13 22.162 2.116 1.132 0.677 0.917 0.583 CB 1.315 13 residues pruned to eliminate duplicates Z: 17 19.107 2.017 0.863 0.610 0.875 0.625 CB 1.309 17 residues pruned to eliminate duplicates Z: 14 21.171 2.114 0.814 0.632 1.000 0.615 CB 1.352 14 residues pruned to eliminate duplicates Z: 18 17.483 1.987 0.925 0.641 0.824 0.471 CB 1.179 18 residues pruned to eliminate duplicates Z: 16 19.058 2.066 0.920 0.625 0.933 0.533 CB 1.182 16 residues pruned to eliminate duplicates Z: 6 3.704 1.918 1.040 0.153 0.600 0.400 CB 1.080 6 residues pruned to eliminate duplicates Z: 19 21.970 2.092 0.982 0.490 0.833 0.722 CB 1.514 21 residues pruned to eliminate duplicates Z: 6 6.764 1.694 0.702 0.368 1.000 0.600 N 1.209 6 residues pruned to eliminate duplicates Z: 37 31.295 2.107 0.839 0.530 0.944 0.639 CB 1.384 37 residues pruned to eliminate duplicates Z: 24 20.147 2.173 0.796 0.489 0.913 0.609 CB 1.192 24 residues pruned to eliminate duplicates Z: 50 33.415 2.043 0.755 0.530 0.980 0.633 CB 1.320 50 residues pruned to eliminate duplicates Z: 37 29.844 2.047 0.717 0.609 0.944 0.667 CB 1.352 37 residues pruned to eliminate duplicates Z: 23 21.706 2.184 0.836 0.501 0.864 0.636 CB 1.336 23 residues pruned to eliminate duplicates Z: 48 34.552 2.111 0.725 0.532 0.936 0.660 CB 1.433 48 residues pruned to eliminate duplicates Z: 43 32.982 2.081 0.834 0.556 0.952 0.667 CB 1.326 43 residues pruned to eliminate duplicates Z: 25 20.956 2.159 0.711 0.452 0.875 0.500 CB 1.390 25 residues pruned to eliminate duplicates Z: 49 36.809 2.090 0.877 0.558 0.938 0.667 CB 1.365 49 residues pruned to eliminate duplicates Z: 49 32.667 2.066 0.711 0.505 0.958 0.604 CB 1.384 49 residues pruned to eliminate duplicates Z: 55 40.407 2.270 0.856 0.501 0.870 0.593 CB 1.498 55 residues pruned to eliminate duplicates Z: 10 9.609 2.151 0.374 0.568 0.889 0.444 CB 1.142 10 residues pruned to eliminate duplicates Z: 50 37.801 2.088 0.787 0.554 0.959 0.673 CB 1.431 50 residues pruned to eliminate duplicates Z: 37 29.695 2.135 0.798 0.498 0.917 0.583 CB 1.410 37 residues pruned to eliminate duplicates Z: 102 52.661 2.206 0.822 0.507 0.911 0.564 CB 1.421 102 residues pruned to eliminate duplicates Z: 51 30.817 2.053 0.767 0.482 0.920 0.660 CB 1.330 51 residues pruned to eliminate duplicates Z: 41 30.076 2.090 0.706 0.554 0.925 0.650 CB 1.368 41 residues pruned to eliminate duplicates Z: 49 37.613 2.093 0.910 0.544 0.938 0.688 CB 1.387 49 residues pruned to eliminate duplicates Z: 25 28.405 1.914 0.859 0.608 1.000 0.708 CB 1.471 25 residues pruned to eliminate duplicates Z: 40 28.000 2.022 0.669 0.570 0.949 0.641 CB 1.309 40 residues pruned to eliminate duplicates Z: 52 30.971 2.031 0.684 0.496 0.980 0.569 CB 1.298 52 residues pruned to eliminate duplicates Z: 45 34.093 1.998 0.916 0.580 0.977 0.682 CB 1.272 45 residues pruned to eliminate duplicates Z: 38 27.314 2.003 0.720 0.545 0.919 0.595 CB 1.357 38 residues pruned to eliminate duplicates Z: 50 34.077 2.090 0.795 0.535 0.918 0.694 CB 1.365 50 residues pruned to eliminate duplicates Z: 43 27.048 2.014 0.671 0.453 0.976 0.643 CB 1.332 43 residues pruned to eliminate duplicates Z: 39 27.547 2.010 0.714 0.517 0.921 0.711 CB 1.384 39 residues pruned to eliminate duplicates Z: 67 33.197 2.077 0.686 0.462 0.894 0.606 CB 1.357 67 residues pruned to eliminate duplicates Z: 43 29.653 2.073 0.650 0.519 0.929 0.643 CB 1.413 43 residues pruned to eliminate duplicates Z: 32 25.716 1.950 0.749 0.512 0.935 0.677 CB 1.430 32 residues pruned to eliminate duplicates Z: 49 35.212 2.082 0.867 0.534 0.958 0.625 CB 1.320 49 residues pruned to eliminate duplicates Z: 50 33.449 2.072 0.763 0.550 0.918 0.673 CB 1.357 50 residues pruned to eliminate duplicates Z: 39 34.898 2.051 0.905 0.611 1.000 0.711 CB 1.304 39 residues pruned to eliminate duplicates Z: 49 33.601 2.078 0.769 0.505 0.938 0.688 CB 1.401 49 residues pruned to eliminate duplicates Z: 25 22.622 1.920 0.758 0.595 1.000 0.833 CB 1.249 25 residues pruned to eliminate duplicates Z: 33 18.982 1.865 0.593 0.439 0.906 0.625 CB 1.327 33 residues pruned to eliminate duplicates Z: 24 27.172 1.965 0.790 0.614 1.000 0.913 CB 1.446 24 residues pruned to eliminate duplicates Z: 36 24.634 1.948 0.696 0.545 0.886 0.657 CB 1.362 36 residues pruned to eliminate duplicates Z: 77 41.408 2.178 0.706 0.492 0.882 0.645 CB 1.463 77 residues pruned to eliminate duplicates Z: 93 49.055 2.175 0.705 0.498 0.946 0.641 CB 1.462 93 residues pruned to eliminate duplicates Z: 106 47.756 2.127 0.890 0.455 0.848 0.619 CB 1.432 112 residues pruned to eliminate duplicates Z: 114 54.957 2.190 0.814 0.510 0.885 0.611 CB 1.457 114 residues pruned to eliminate duplicates Z: 30 15.007 2.227 0.371 0.390 0.759 0.483 CB 1.351 30 residues pruned to eliminate duplicates Z: 11 11.890 2.216 0.549 0.410 0.800 0.500 CB 1.505 11 residues pruned to eliminate duplicates Z: 11 15.564 2.124 0.553 0.515 0.900 0.600 CB 1.633 11 residues pruned to eliminate duplicates Z: 87 51.508 2.331 0.836 0.485 0.849 0.523 CB 1.552 87 residues pruned to eliminate duplicates Z: 11 7.872 2.150 0.755 0.248 0.700 0.300 CB 1.260 11 residues pruned to eliminate duplicates Z: 26 17.543 2.230 0.558 0.428 0.880 0.600 CB 1.237 26 residues pruned to eliminate duplicates Z: 24 17.402 2.250 0.577 0.350 0.870 0.652 CB 1.383 24 residues pruned to eliminate duplicates Z: 10 15.206 2.436 0.662 0.374 0.889 0.667 CB 1.611 10 residues pruned to eliminate duplicates Z: 27 13.913 2.157 0.484 0.349 0.846 0.654 CB 1.186 27 residues pruned to eliminate duplicates Z: 32 21.262 2.213 0.726 0.453 0.806 0.581 CB 1.301 32 residues pruned to eliminate duplicates Z: 51 32.343 2.285 0.723 0.491 0.820 0.620 CB 1.431 51 residues pruned to eliminate duplicates Z: 83 53.211 2.362 0.834 0.508 0.866 0.585 CB 1.553 83 residues pruned to eliminate duplicates Z: 25 11.278 2.044 0.524 0.262 0.833 0.375 CB 1.165 25 residues pruned to eliminate duplicates Z: 88 54.683 2.347 0.784 0.508 0.908 0.575 CB 1.529 88 residues pruned to eliminate duplicates Z: 22 14.890 2.253 0.693 0.289 0.905 0.571 CB 1.193 22 residues pruned to eliminate duplicates Z: 32 17.738 2.085 0.453 0.442 0.806 0.516 CB 1.384 32 residues pruned to eliminate duplicates Z: 18 10.927 2.272 0.440 0.343 0.824 0.588 CB 1.166 18 residues pruned to eliminate duplicates Z: 19 11.889 2.139 0.635 0.286 0.944 0.556 CB 1.079 19 residues pruned to eliminate duplicates Z: 26 17.587 2.130 0.514 0.411 0.920 0.480 CB 1.302 26 residues pruned to eliminate duplicates Z: 88 50.764 2.350 0.766 0.484 0.874 0.563 CB 1.525 88 residues pruned to eliminate duplicates Z: 51 35.858 2.271 0.782 0.497 0.900 0.600 CB 1.396 51 residues pruned to eliminate duplicates Z: 52 50.742 2.398 0.898 0.537 0.941 0.510 CB 1.600 52 residues pruned to eliminate duplicates Z: 127 58.131 2.196 0.751 0.498 0.881 0.635 CB 1.532 135 residues pruned to eliminate duplicates Z: 83 46.727 2.292 0.748 0.474 0.890 0.537 CB 1.484 83 residues pruned to eliminate duplicates Z: 50 36.964 2.298 0.770 0.483 0.898 0.571 CB 1.471 50 residues pruned to eliminate duplicates Z: 52 42.713 2.362 0.867 0.475 0.863 0.588 CB 1.612 52 residues pruned to eliminate duplicates Z: 42 32.072 2.256 0.874 0.453 0.805 0.439 CB 1.544 42 residues pruned to eliminate duplicates Z: 88 52.206 2.349 0.805 0.504 0.885 0.575 CB 1.485 88 residues pruned to eliminate duplicates Z: 88 53.970 2.329 0.825 0.507 0.908 0.586 CB 1.489 88 residues pruned to eliminate duplicates Z: 89 55.378 2.351 0.888 0.479 0.886 0.625 CB 1.532 89 residues pruned to eliminate duplicates Z: 57 49.346 2.363 0.926 0.526 0.893 0.625 CB 1.582 57 residues pruned to eliminate duplicates Z: 71 48.265 2.312 0.880 0.482 0.929 0.543 CB 1.456 71 residues pruned to eliminate duplicates Z: 39 36.521 2.260 0.894 0.508 0.842 0.579 CB 1.632 39 residues pruned to eliminate duplicates Z: 49 44.292 2.359 0.853 0.520 0.896 0.625 CB 1.601 49 residues pruned to eliminate duplicates Z: 89 53.533 2.331 0.829 0.484 0.898 0.580 CB 1.516 89 residues pruned to eliminate duplicates Z: 42 47.630 2.376 0.964 0.565 0.902 0.537 CB 1.659 42 residues pruned to eliminate duplicates Z: 77 50.719 2.323 0.850 0.494 0.921 0.553 CB 1.478 77 residues pruned to eliminate duplicates Z: 40 50.519 2.423 1.031 0.556 0.923 0.590 CB 1.687 40 residues pruned to eliminate duplicates Z: 112 60.003 2.241 0.797 0.538 0.910 0.559 CB 1.498 112 residues pruned to eliminate duplicates Z: 52 52.030 2.419 0.897 0.550 0.922 0.549 CB 1.641 52 residues pruned to eliminate duplicates Z: 65 46.305 2.324 0.763 0.486 0.875 0.453 CB 1.637 65 residues pruned to eliminate duplicates Z: 132 55.974 2.205 0.772 0.502 0.870 0.588 CB 1.435 132 residues pruned to eliminate duplicates Z: 64 50.994 2.328 0.959 0.497 0.905 0.540 CB 1.561 64 residues pruned to eliminate duplicates Z: 78 52.523 2.306 0.945 0.521 0.870 0.571 CB 1.502 78 residues pruned to eliminate duplicates Z: 75 52.010 2.351 0.880 0.478 0.919 0.554 CB 1.522 75 residues pruned to eliminate duplicates Z: 126 62.781 2.222 0.818 0.517 0.912 0.592 CB 1.500 126 residues pruned to eliminate duplicates Z: 88 55.246 2.333 0.889 0.514 0.897 0.598 CB 1.478 88 residues pruned to eliminate duplicates Z: 75 49.218 2.343 0.913 0.503 0.865 0.581 CB 1.471 75 residues pruned to eliminate duplicates Z: 61 45.061 2.264 0.844 0.523 0.883 0.550 CB 1.541 61 residues pruned to eliminate duplicates Z: 46 39.553 2.288 0.921 0.486 0.889 0.556 CB 1.531 46 residues pruned to eliminate duplicates Z: 88 54.296 2.352 0.850 0.498 0.885 0.540 CB 1.514 88 residues pruned to eliminate duplicates Z: 66 57.273 2.374 1.003 0.547 0.908 0.585 CB 1.571 66 residues pruned to eliminate duplicates Z: 65 45.648 2.331 0.875 0.478 0.891 0.578 CB 1.499 65 residues pruned to eliminate duplicates Z: 64 38.455 2.219 0.820 0.450 0.841 0.524 CB 1.501 64 residues pruned to eliminate duplicates Z: 73 44.357 2.328 0.775 0.457 0.889 0.500 CB 1.486 73 residues pruned to eliminate duplicates Z: 65 46.136 2.307 0.907 0.480 0.828 0.547 CB 1.615 65 residues pruned to eliminate duplicates Z: 41 35.407 2.295 0.880 0.523 0.850 0.600 CB 1.491 41 residues pruned to eliminate duplicates Z: 76 48.319 2.307 0.884 0.481 0.880 0.573 CB 1.488 76 residues pruned to eliminate duplicates Z: 77 50.736 2.324 0.819 0.495 0.895 0.526 CB 1.545 77 residues pruned to eliminate duplicates Z: 74 51.886 2.371 0.911 0.479 0.890 0.548 CB 1.537 74 residues pruned to eliminate duplicates Z: 64 47.876 2.343 0.902 0.451 0.889 0.556 CB 1.602 64 residues pruned to eliminate duplicates Z: 81 45.171 2.280 0.757 0.489 0.887 0.575 CB 1.436 81 residues pruned to eliminate duplicates Z: 76 48.382 2.349 0.864 0.447 0.907 0.573 CB 1.487 76 residues pruned to eliminate duplicates Z: 44 41.043 2.328 0.924 0.512 0.907 0.605 CB 1.523 44 residues pruned to eliminate duplicates Z: 82 46.946 2.276 0.802 0.489 0.877 0.593 CB 1.468 82 residues pruned to eliminate duplicates Z: 65 59.472 2.369 0.980 0.546 0.906 0.594 CB 1.672 65 residues pruned to eliminate duplicates Z: 88 56.828 2.336 0.892 0.496 0.908 0.609 CB 1.525 88 residues pruned to eliminate duplicates Z: 59 46.446 2.297 0.952 0.512 0.828 0.638 CB 1.623 59 residues pruned to eliminate duplicates Z: 29 32.062 2.327 0.762 0.561 0.893 0.679 CB 1.560 29 residues pruned to eliminate duplicates Z: 83 56.887 2.349 0.923 0.513 0.890 0.659 CB 1.541 83 residues pruned to eliminate duplicates Z: 76 48.036 2.344 0.853 0.481 0.867 0.573 CB 1.502 76 residues pruned to eliminate duplicates Z: 77 56.451 2.342 0.928 0.522 0.882 0.645 CB 1.592 77 residues pruned to eliminate duplicates Z: 82 55.342 2.357 0.890 0.522 0.889 0.605 CB 1.520 82 residues pruned to eliminate duplicates Z: 77 55.528 2.308 0.921 0.515 0.908 0.579 CB 1.560 77 residues pruned to eliminate duplicates Z: 14 19.379 2.209 0.711 0.646 0.769 0.692 CB 1.613 14 residues pruned to eliminate duplicates Z: 28 36.528 2.405 0.781 0.587 0.926 0.630 CB 1.632 28 residues pruned to eliminate duplicates Z: 14 25.906 2.247 1.034 0.663 0.846 0.692 CB 1.597 14 residues pruned to eliminate duplicates Z: 54 34.957 2.196 0.911 0.464 0.811 0.491 CB 1.464 54 residues pruned to eliminate duplicates Z: 13 29.527 2.339 1.141 0.703 0.833 0.750 CB 1.697 13 residues pruned to eliminate duplicates Z: 23 29.682 2.276 0.862 0.599 0.909 0.682 CB 1.495 23 residues pruned to eliminate duplicates Z: 14 21.207 2.162 1.026 0.632 0.769 0.615 CB 1.542 14 residues pruned to eliminate duplicates Z: 30 32.337 2.041 0.877 0.615 0.862 0.724 CA 1.630 30 residues pruned to eliminate duplicates Z: 6 5.053 1.687 0.561 0.364 0.800 0.400 C 1.242 6 residues pruned to eliminate duplicates Z: 17 25.893 1.997 0.762 0.658 1.000 0.750 CB 1.590 17 residues pruned to eliminate duplicates Z: 7 6.693 1.723 0.937 0.347 0.833 0.333 CB 1.160 Z: 6 6.994 1.641 0.911 0.421 0.800 0.600 N 1.354 Z: 6 4.192 1.507 0.603 0.447 1.000 0.800 CA 0.819 5 residues pruned to eliminate duplicates Z: 7 4.110 1.432 0.725 0.292 0.833 0.667 CA 1.029 4 residues pruned to eliminate duplicates Z: 6 8.135 1.782 1.012 0.470 0.800 0.400 CA 1.307 6 residues pruned to eliminate duplicates Z: 8 10.371 2.218 0.708 0.451 0.714 0.429 CA 1.523 8 residues pruned to eliminate duplicates 6 1.937 1.501 0.314 0.451 1.000 0.800 CA 0.462 ? Z: 6 3.767 1.863 0.125 0.220 0.800 0.800 CA 1.396 6 residues pruned to eliminate duplicates Z: 54 46.001 2.352 0.846 0.496 0.906 0.660 CB 1.613 54 residues pruned to eliminate duplicates Z: 55 47.762 2.343 0.963 0.496 0.926 0.593 CB 1.531 55 residues pruned to eliminate duplicates Z: 72 36.415 2.211 0.727 0.451 0.845 0.606 CB 1.409 72 residues pruned to eliminate duplicates Z: 64 43.224 2.294 0.909 0.477 0.873 0.587 CB 1.458 64 residues pruned to eliminate duplicates Z: 61 42.424 2.301 0.909 0.479 0.900 0.600 CB 1.415 61 residues pruned to eliminate duplicates Z: 61 46.682 2.333 0.892 0.480 0.900 0.600 CB 1.547 61 residues pruned to eliminate duplicates Z: 54 41.536 2.323 0.849 0.495 0.887 0.585 CB 1.506 54 residues pruned to eliminate duplicates Z: 60 46.378 2.326 0.911 0.471 0.932 0.559 CB 1.500 60 residues pruned to eliminate duplicates Z: 53 43.892 2.337 0.939 0.515 0.885 0.577 CB 1.496 53 residues pruned to eliminate duplicates Z: 57 38.268 2.261 0.844 0.463 0.911 0.571 CB 1.399 57 residues pruned to eliminate duplicates Z: 51 43.147 2.356 0.882 0.515 0.900 0.660 CB 1.506 51 residues pruned to eliminate duplicates Z: 62 37.827 2.266 0.772 0.486 0.852 0.656 CB 1.436 62 residues pruned to eliminate duplicates Z: 53 41.197 2.335 0.871 0.493 0.904 0.615 CB 1.458 53 residues pruned to eliminate duplicates Z: 40 37.322 2.222 0.920 0.523 0.923 0.615 CB 1.483 40 residues pruned to eliminate duplicates Z: 60 42.995 2.328 0.885 0.478 0.881 0.644 CB 1.480 60 residues pruned to eliminate duplicates Z: 43 40.493 2.283 0.924 0.528 0.905 0.571 CB 1.530 43 residues pruned to eliminate duplicates Z: 59 37.210 2.274 0.738 0.468 0.879 0.603 CB 1.453 59 residues pruned to eliminate duplicates Z: 39 38.620 2.284 0.892 0.506 0.921 0.605 CB 1.565 39 residues pruned to eliminate duplicates Z: 25 32.339 2.326 1.002 0.544 0.833 0.583 CB 1.630 25 residues pruned to eliminate duplicates Z: 66 41.180 2.280 0.827 0.460 0.908 0.569 CB 1.406 66 residues pruned to eliminate duplicates Z: 37 40.163 2.335 0.943 0.564 0.861 0.667 CB 1.611 37 residues pruned to eliminate duplicates Z: 65 43.133 2.284 0.907 0.468 0.906 0.547 CB 1.411 66 residues pruned to eliminate duplicates Z: 8 8.438 1.636 0.928 0.496 0.857 0.714 CA 1.184 8 residues pruned to eliminate duplicates Z: 41 37.656 2.265 0.890 0.514 0.900 0.600 CB 1.524 41 residues pruned to eliminate duplicates Z: 65 37.169 2.282 0.736 0.463 0.859 0.531 CB 1.418 65 residues pruned to eliminate duplicates Z: 63 37.104 2.238 0.751 0.448 0.887 0.613 CB 1.430 63 residues pruned to eliminate duplicates Z: 60 42.374 2.310 0.846 0.464 0.881 0.610 CB 1.524 60 residues pruned to eliminate duplicates Z: 56 34.762 2.182 0.858 0.433 0.909 0.636 CB 1.363 56 residues pruned to eliminate duplicates Z: 26 37.695 2.286 1.041 0.638 0.960 0.640 CB 1.479 26 residues pruned to eliminate duplicates Z: 57 39.939 2.296 0.874 0.505 0.911 0.571 CB 1.355 57 residues pruned to eliminate duplicates Z: 38 40.117 2.311 0.960 0.567 0.892 0.676 CB 1.530 38 residues pruned to eliminate duplicates Z: 13 18.238 2.194 0.931 0.467 0.833 0.500 CB 1.542 13 residues pruned to eliminate duplicates Z: 14 23.070 2.171 0.986 0.512 0.923 0.538 CB 1.588 14 residues pruned to eliminate duplicates Z: 78 42.828 2.223 0.750 0.494 0.883 0.571 CB 1.428 78 residues pruned to eliminate duplicates Z: 52 46.148 2.348 0.915 0.512 0.941 0.549 CB 1.510 52 residues pruned to eliminate duplicates Z: 21 16.524 2.077 0.706 0.355 0.900 0.500 CB 1.354 21 residues pruned to eliminate duplicates Z: 77 42.479 2.268 0.697 0.481 0.895 0.566 CB 1.443 77 residues pruned to eliminate duplicates Z: 59 34.289 2.210 0.771 0.444 0.897 0.534 CB 1.359 59 residues pruned to eliminate duplicates Z: 61 42.113 2.293 0.831 0.468 0.883 0.583 CB 1.514 61 residues pruned to eliminate duplicates Z: 67 44.195 2.278 0.771 0.495 0.894 0.667 CB 1.516 67 residues pruned to eliminate duplicates Z: 52 39.881 2.314 0.818 0.481 0.922 0.569 CB 1.468 52 residues pruned to eliminate duplicates Z: 32 24.417 1.973 0.696 0.465 0.871 0.548 CB 1.559 32 residues pruned to eliminate duplicates Z: 86 43.987 2.200 0.750 0.491 0.859 0.600 CB 1.456 86 residues pruned to eliminate duplicates Z: 27 16.056 1.825 0.536 0.530 0.885 0.577 CB 1.233 27 residues pruned to eliminate duplicates Z: 26 17.865 1.966 0.560 0.466 0.840 0.520 CB 1.435 26 residues pruned to eliminate duplicates Z: 78 47.817 2.252 0.784 0.510 0.922 0.649 CB 1.457 78 residues pruned to eliminate duplicates Z: 75 43.582 2.250 0.693 0.480 0.919 0.554 CB 1.477 75 residues pruned to eliminate duplicates Z: 24 15.398 2.045 0.329 0.454 0.913 0.609 CB 1.356 24 residues pruned to eliminate duplicates Z: 16 15.048 2.032 0.437 0.493 0.933 0.533 CB 1.436 16 residues pruned to eliminate duplicates Z: 27 15.276 1.982 0.460 0.478 0.808 0.615 CB 1.310 27 residues pruned to eliminate duplicates Z: 16 15.040 2.070 0.510 0.470 0.933 0.667 CB 1.372 16 residues pruned to eliminate duplicates Z: 17 14.861 2.030 0.335 0.482 0.938 0.562 CB 1.489 17 residues pruned to eliminate duplicates Z: 16 15.216 2.133 0.263 0.511 1.000 0.667 CB 1.442 16 residues pruned to eliminate duplicates Z: 18 16.041 2.015 0.514 0.449 0.941 0.588 CB 1.428 18 residues pruned to eliminate duplicates Z: 18 14.607 1.937 0.462 0.470 0.941 0.706 CB 1.370 18 residues pruned to eliminate duplicates Z: 60 29.212 2.160 0.653 0.425 0.864 0.542 CB 1.332 60 residues pruned to eliminate duplicates Z: 37 19.129 2.007 0.507 0.498 0.861 0.556 CB 1.226 37 residues pruned to eliminate duplicates Z: 26 12.250 1.917 0.428 0.426 0.800 0.560 CB 1.208 26 residues pruned to eliminate duplicates Z: 12 7.097 1.732 0.553 0.562 0.727 0.727 CB 1.029 12 residues pruned to eliminate duplicates Z: 11 8.269 1.879 0.563 0.574 0.800 0.700 CB 1.036 11 residues pruned to eliminate duplicates Z: 33 26.789 1.977 0.764 0.565 0.875 0.781 CB 1.456 33 residues pruned to eliminate duplicates Z: 10 9.747 1.923 0.638 0.585 0.778 0.667 CB 1.223 11 residues pruned to eliminate duplicates Z: 6 3.481 1.566 0.381 0.337 0.800 0.400 CB 1.075 6 residues pruned to eliminate duplicates Z: 24 24.856 2.014 0.774 0.581 0.870 0.696 CB 1.543 24 residues pruned to eliminate duplicates Z: 23 25.156 2.084 0.643 0.598 0.909 0.727 CB 1.570 23 residues pruned to eliminate duplicates Z: 23 27.087 2.035 0.669 0.633 0.909 0.727 CB 1.651 23 residues pruned to eliminate duplicates Z: 24 28.175 2.003 0.762 0.647 0.913 0.826 CB 1.589 24 residues pruned to eliminate duplicates Z: 33 25.269 2.004 0.727 0.554 0.812 0.688 CB 1.508 33 residues pruned to eliminate duplicates Z: 23 26.291 1.973 0.731 0.584 0.909 0.727 CB 1.665 23 residues pruned to eliminate duplicates Z: 22 27.627 2.118 0.782 0.583 0.857 0.714 CB 1.720 22 residues pruned to eliminate duplicates Z: 22 29.634 2.041 0.841 0.616 0.905 0.714 CB 1.705 22 residues pruned to eliminate duplicates Z: 23 20.206 1.938 0.497 0.556 0.909 0.591 CB 1.546 23 residues pruned to eliminate duplicates Z: 15 13.997 1.926 0.621 0.483 0.857 0.643 CA 1.422 15 residues pruned to eliminate duplicates Z: 24 30.012 2.026 0.814 0.609 0.957 0.783 CB 1.605 24 residues pruned to eliminate duplicates Z: 16 14.665 1.960 0.586 0.464 0.800 0.533 CB 1.580 16 residues pruned to eliminate duplicates Z: 21 27.439 2.044 0.661 0.611 0.950 0.750 CB 1.713 21 residues pruned to eliminate duplicates Z: 16 17.767 2.014 0.613 0.534 0.800 0.533 CB 1.706 16 residues pruned to eliminate duplicates Z: 25 22.575 1.925 0.612 0.576 0.875 0.750 CB 1.577 25 residues pruned to eliminate duplicates Z: 25 24.295 1.962 0.755 0.556 0.875 0.708 CB 1.559 25 residues pruned to eliminate duplicates Z: 24 26.575 2.010 0.816 0.616 0.870 0.739 CB 1.565 24 residues pruned to eliminate duplicates Z: 21 31.733 2.093 0.847 0.629 0.950 0.900 CB 1.710 22 residues pruned to eliminate duplicates Z: 6 5.290 1.647 0.899 0.316 0.800 0.600 CA 1.158 6 residues pruned to eliminate duplicates Z: 9 13.212 1.948 0.675 0.525 0.875 0.625 CB 1.595 9 residues pruned to eliminate duplicates Z: 10 8.614 1.937 0.405 0.503 0.778 0.556 CB 1.352 10 residues pruned to eliminate duplicates Z: 8 14.909 1.997 0.532 0.673 1.000 0.571 CB 1.571 8 residues pruned to eliminate duplicates Z: 9 7.414 1.962 0.046 0.447 1.000 0.625 CA 1.348 9 residues pruned to eliminate duplicates Z: 23 22.673 2.161 0.852 0.468 0.909 0.500 CB 1.373 23 residues pruned to eliminate duplicates Z: 30 20.580 1.995 0.764 0.468 0.931 0.552 CB 1.205 30 residues pruned to eliminate duplicates Z: 8 9.997 2.040 0.416 0.542 1.000 1.000 CA 1.255 8 residues pruned to eliminate duplicates Z: 13 6.378 1.814 0.527 0.422 0.833 0.583 CB 0.865 13 residues pruned to eliminate duplicates Z: 12 10.664 1.915 0.438 0.583 0.818 0.545 CB 1.317 12 residues pruned to eliminate duplicates Z: 22 19.120 2.126 0.629 0.455 0.857 0.667 CB 1.472 22 residues pruned to eliminate duplicates Z: 25 22.292 2.084 0.701 0.476 0.958 0.500 CB 1.372 25 residues pruned to eliminate duplicates Z: 28 14.591 1.925 0.574 0.359 0.889 0.519 CB 1.214 28 residues pruned to eliminate duplicates Z: 28 16.993 1.982 0.568 0.359 0.889 0.444 CB 1.379 28 residues pruned to eliminate duplicates Z: 45 34.370 2.153 0.650 0.520 0.977 0.636 CB 1.463 45 residues pruned to eliminate duplicates Z: 23 23.751 2.165 0.737 0.469 0.955 0.591 CB 1.456 23 residues pruned to eliminate duplicates Z: 24 21.021 2.094 0.614 0.451 0.957 0.652 CB 1.426 24 residues pruned to eliminate duplicates Z: 29 25.920 1.993 0.844 0.518 0.964 0.643 CB 1.358 29 residues pruned to eliminate duplicates Z: 23 20.538 2.115 0.665 0.437 0.955 0.636 CB 1.390 23 residues pruned to eliminate duplicates Z: 30 21.453 2.014 0.533 0.479 1.000 0.586 CB 1.318 30 residues pruned to eliminate duplicates Z: 21 15.785 2.088 0.647 0.356 0.950 0.500 CB 1.262 21 residues pruned to eliminate duplicates Z: 47 30.409 2.098 0.683 0.453 0.935 0.587 CB 1.425 47 residues pruned to eliminate duplicates Z: 28 17.597 1.975 0.514 0.393 0.926 0.481 CB 1.370 28 residues pruned to eliminate duplicates Z: 26 16.236 1.986 0.611 0.364 0.920 0.480 CB 1.277 26 residues pruned to eliminate duplicates Z: 21 13.737 1.905 0.900 0.355 0.850 0.600 CB 1.168 21 residues pruned to eliminate duplicates Z: 27 14.996 1.955 0.646 0.348 0.885 0.577 CB 1.218 27 residues pruned to eliminate duplicates Z: 32 20.621 2.042 0.532 0.453 0.968 0.742 CB 1.283 32 residues pruned to eliminate duplicates Z: 43 24.293 2.101 0.513 0.440 0.905 0.524 CB 1.386 43 residues pruned to eliminate duplicates Z: 7 3.610 1.658 0.013 0.494 0.833 0.500 CB 1.059 7 residues pruned to eliminate duplicates Z: 8 4.502 1.724 0.180 0.430 0.857 0.571 CB 1.050 8 residues pruned to eliminate duplicates Z: 8 5.505 1.671 0.075 0.555 1.000 0.571 CB 1.098 8 residues pruned to eliminate duplicates Z: 20 25.996 2.126 0.831 0.509 0.947 0.526 CB 1.602 20 residues pruned to eliminate duplicates Z: 21 26.729 2.180 0.803 0.538 1.000 0.600 CB 1.465 21 residues pruned to eliminate duplicates Z: 9 11.161 2.141 0.898 0.503 0.875 0.750 CB 1.106 9 residues pruned to eliminate duplicates Z: 20 29.231 2.251 1.011 0.528 1.000 0.684 CB 1.441 20 residues pruned to eliminate duplicates Z: 20 29.085 2.242 1.051 0.558 0.895 0.632 CB 1.533 20 residues pruned to eliminate duplicates Z: 20 27.803 2.232 0.849 0.555 1.000 0.684 CB 1.465 20 residues pruned to eliminate duplicates Z: 20 27.830 2.234 0.780 0.565 1.000 0.737 CB 1.508 20 residues pruned to eliminate duplicates Z: 20 24.958 2.176 0.695 0.563 1.000 0.737 CB 1.460 20 residues pruned to eliminate duplicates Z: 20 22.668 2.208 0.627 0.521 0.947 0.737 CB 1.496 20 residues pruned to eliminate duplicates Z: 20 29.408 2.187 0.922 0.545 1.000 0.895 CB 1.536 20 residues pruned to eliminate duplicates Z: 18 32.537 2.329 0.992 0.585 1.000 0.765 CB 1.568 18 residues pruned to eliminate duplicates Z: 21 26.779 2.228 0.832 0.571 0.950 0.700 CB 1.442 22 residues pruned to eliminate duplicates Z: 6 3.803 1.925 0.492 0.290 0.600 0.400 CA 1.249 6 residues pruned to eliminate duplicates Z: 22 22.281 2.103 0.759 0.553 0.905 0.714 CB 1.379 22 residues pruned to eliminate duplicates Z: 27 19.274 1.989 0.722 0.526 0.808 0.654 CB 1.332 27 residues pruned to eliminate duplicates Z: 20 27.227 2.187 1.046 0.595 0.947 0.737 CB 1.346 20 residues pruned to eliminate duplicates Z: 8 6.751 1.613 0.661 0.438 0.857 0.714 CA 1.184 8 residues pruned to eliminate duplicates Z: 46 25.376 1.996 0.665 0.523 0.844 0.667 CB 1.317 44 residues pruned to eliminate duplicates Z: 6 4.573 1.530 0.641 0.473 1.000 1.000 CA 0.837 6 residues pruned to eliminate duplicates Z: 29 20.418 2.013 0.719 0.484 0.893 0.607 CB 1.269 29 residues pruned to eliminate duplicates Z: 24 20.702 2.154 0.775 0.498 0.870 0.609 CB 1.300 24 residues pruned to eliminate duplicates Z: 28 20.023 2.031 0.736 0.523 0.926 0.481 CB 1.154 28 residues pruned to eliminate duplicates Z: 40 28.448 2.049 0.873 0.508 0.872 0.641 CB 1.352 47 residues pruned to eliminate duplicates Z: 6 5.049 2.068 0.593 0.201 0.800 0.400 CB 1.223 6 residues pruned to eliminate duplicates Z: 24 23.138 2.121 0.911 0.528 0.870 0.696 CB 1.332 24 residues pruned to eliminate duplicates Z: 8 6.884 1.647 0.325 0.534 0.857 0.571 CB 1.346 8 residues pruned to eliminate duplicates Z: 25 18.518 2.065 0.632 0.446 0.917 0.583 CB 1.294 25 residues pruned to eliminate duplicates Z: 16 16.136 1.994 0.787 0.474 0.933 0.600 CB 1.286 16 residues pruned to eliminate duplicates Z: 6 4.759 1.515 0.709 0.405 1.000 0.400 CB 0.907 6 residues pruned to eliminate duplicates Z: 9 22.326 2.090 1.302 0.757 0.875 0.750 CA 1.492 9 residues pruned to eliminate duplicates Z: 41 34.478 2.277 0.657 0.523 0.900 0.600 CB 1.569 41 residues pruned to eliminate duplicates Z: 77 60.022 2.347 0.796 0.522 0.947 0.553 CB 1.687 77 residues pruned to eliminate duplicates Z: 9 13.435 1.891 1.138 0.699 0.750 0.750 CA 1.307 9 residues pruned to eliminate duplicates Z: 23 19.137 2.089 0.503 0.492 0.864 0.636 CB 1.516 23 residues pruned to eliminate duplicates Z: 41 36.481 2.307 0.638 0.551 0.875 0.625 CA 1.660 41 residues pruned to eliminate duplicates Z: 74 52.427 2.247 0.762 0.515 0.945 0.603 CB 1.616 91 residues pruned to eliminate duplicates Z: 61 42.041 2.262 0.631 0.511 0.933 0.600 CB 1.559 61 residues pruned to eliminate duplicates Z: 27 30.224 2.143 0.793 0.572 0.885 0.731 CB 1.627 27 residues pruned to eliminate duplicates Z: 47 34.199 2.208 0.728 0.478 0.848 0.587 CB 1.594 47 residues pruned to eliminate duplicates Z: 26 28.128 2.164 0.650 0.594 0.880 0.720 CA 1.637 26 residues pruned to eliminate duplicates Z: 24 18.028 2.088 0.500 0.461 0.783 0.565 CA 1.597 24 residues pruned to eliminate duplicates Z: 24 16.636 2.042 0.523 0.452 0.783 0.609 CB 1.497 24 residues pruned to eliminate duplicates Z: 21 21.252 2.183 0.591 0.500 0.850 0.650 CA 1.609 21 residues pruned to eliminate duplicates Z: 41 35.247 2.248 0.609 0.533 0.900 0.600 CB 1.658 41 residues pruned to eliminate duplicates Z: 27 24.771 2.083 0.702 0.563 0.885 0.615 CA 1.458 27 residues pruned to eliminate duplicates Z: 27 32.926 2.223 0.880 0.577 0.885 0.692 CB 1.622 27 residues pruned to eliminate duplicates Z: 40 40.540 2.322 0.752 0.564 0.872 0.667 CB 1.720 40 residues pruned to eliminate duplicates Z: 77 50.940 2.252 0.779 0.495 0.895 0.592 CB 1.639 77 residues pruned to eliminate duplicates Z: 39 25.700 2.210 0.570 0.387 0.842 0.579 CA 1.608 39 residues pruned to eliminate duplicates Z: 54 45.421 2.307 0.738 0.523 0.925 0.623 CB 1.645 54 residues pruned to eliminate duplicates Z: 44 35.651 2.296 0.627 0.497 0.884 0.581 CB 1.653 44 residues pruned to eliminate duplicates Z: 54 39.807 2.318 0.640 0.478 0.887 0.642 CB 1.658 54 residues pruned to eliminate duplicates Z: 41 42.539 2.306 0.807 0.565 0.900 0.675 CA 1.684 41 residues pruned to eliminate duplicates Z: 70 51.614 2.331 0.664 0.481 0.957 0.594 CB 1.707 70 residues pruned to eliminate duplicates Z: 61 45.075 2.240 0.710 0.508 0.900 0.600 CB 1.674 61 residues pruned to eliminate duplicates Z: 51 43.979 2.349 0.730 0.474 0.920 0.540 CB 1.709 51 residues pruned to eliminate duplicates Z: 62 43.221 2.281 0.631 0.504 0.918 0.557 CB 1.614 62 residues pruned to eliminate duplicates Z: 35 29.594 2.277 0.576 0.446 0.912 0.500 CB 1.639 35 residues pruned to eliminate duplicates Z: 77 56.724 2.279 0.789 0.536 0.947 0.632 CB 1.626 77 residues pruned to eliminate duplicates Z: 51 39.065 2.333 0.669 0.451 0.880 0.520 CB 1.695 51 residues pruned to eliminate duplicates Z: 73 45.176 2.296 0.605 0.460 0.917 0.500 CB 1.641 73 residues pruned to eliminate duplicates Z: 40 40.477 2.312 0.720 0.565 0.897 0.667 CB 1.705 40 residues pruned to eliminate duplicates Z: 42 32.071 2.257 0.666 0.508 0.829 0.585 CB 1.593 42 residues pruned to eliminate duplicates Z: 54 45.041 2.292 0.661 0.528 0.943 0.679 CB 1.676 54 residues pruned to eliminate duplicates Z: 30 27.959 2.266 0.577 0.525 0.897 0.414 CB 1.581 30 residues pruned to eliminate duplicates Z: 50 41.443 2.335 0.658 0.475 0.918 0.551 CB 1.708 50 residues pruned to eliminate duplicates Z: 76 55.703 2.317 0.726 0.492 0.947 0.627 CB 1.713 76 residues pruned to eliminate duplicates Z: 36 31.076 2.200 0.604 0.466 0.943 0.571 CB 1.634 36 residues pruned to eliminate duplicates Z: 54 46.580 2.364 0.681 0.470 0.962 0.604 CB 1.723 54 residues pruned to eliminate duplicates Z: 61 44.273 2.228 0.769 0.500 0.900 0.617 CB 1.611 61 residues pruned to eliminate duplicates Z: 18 18.882 2.131 0.532 0.406 0.941 0.588 CB 1.645 18 residues pruned to eliminate duplicates Z: 72 47.404 2.280 0.670 0.459 0.915 0.535 CB 1.684 72 residues pruned to eliminate duplicates Z: 18 16.667 2.111 0.347 0.404 0.941 0.353 CB 1.671 18 residues pruned to eliminate duplicates Z: 76 56.154 2.322 0.704 0.506 0.947 0.573 CB 1.720 76 residues pruned to eliminate duplicates Z: 17 13.679 2.123 0.555 0.289 0.875 0.625 CB 1.501 17 residues pruned to eliminate duplicates Z: 78 45.997 2.241 0.639 0.446 0.896 0.571 CB 1.684 78 residues pruned to eliminate duplicates Z: 37 28.601 2.298 0.376 0.407 0.972 0.528 CB 1.711 37 residues pruned to eliminate duplicates Z: 17 17.671 2.228 0.384 0.295 1.000 0.562 CB 1.803 17 residues pruned to eliminate duplicates Z: 17 16.293 2.071 0.689 0.315 0.875 0.438 CA 1.633 17 residues pruned to eliminate duplicates Z: 40 30.763 2.253 0.608 0.449 0.872 0.538 CB 1.645 40 residues pruned to eliminate duplicates Z: 60 46.689 2.280 0.730 0.482 0.932 0.644 CB 1.684 60 residues pruned to eliminate duplicates Z: 61 46.198 2.278 0.724 0.495 0.900 0.617 CB 1.695 61 residues pruned to eliminate duplicates Z: 57 41.391 2.286 0.620 0.443 0.946 0.536 CB 1.673 57 residues pruned to eliminate duplicates Z: 15 9.248 1.768 0.348 0.281 0.929 0.500 N 1.430 15 residues pruned to eliminate duplicates Z: 17 16.429 2.153 0.372 0.349 1.000 0.625 CA 1.638 17 residues pruned to eliminate duplicates Z: 98 54.787 2.261 0.701 0.457 0.948 0.536 CB 1.593 98 residues pruned to eliminate duplicates Z: 38 33.284 2.316 0.598 0.419 0.946 0.622 CB 1.700 38 residues pruned to eliminate duplicates Z: 94 59.525 2.297 0.769 0.490 0.925 0.581 CB 1.660 94 residues pruned to eliminate duplicates Z: 57 37.906 2.255 0.605 0.422 0.911 0.589 CB 1.668 57 residues pruned to eliminate duplicates Z: 24 28.769 2.373 0.779 0.476 0.870 0.609 CA 1.675 24 residues pruned to eliminate duplicates Z: 51 38.209 2.288 0.718 0.453 0.900 0.580 CB 1.603 51 residues pruned to eliminate duplicates Z: 20 35.277 2.404 0.948 0.487 1.000 0.684 CA 1.751 20 residues pruned to eliminate duplicates Z: 56 40.329 2.330 0.637 0.452 0.891 0.545 CB 1.680 56 residues pruned to eliminate duplicates Z: 71 52.376 2.342 0.725 0.474 0.929 0.600 CB 1.713 71 residues pruned to eliminate duplicates Z: 77 51.673 2.306 0.697 0.505 0.908 0.645 CB 1.660 77 residues pruned to eliminate duplicates Z: 73 40.877 2.261 0.685 0.409 0.903 0.500 CB 1.541 73 residues pruned to eliminate duplicates Z: 54 43.162 2.344 0.645 0.475 0.906 0.566 CB 1.741 54 residues pruned to eliminate duplicates Z: 53 36.549 2.240 0.711 0.393 0.923 0.500 CB 1.605 53 residues pruned to eliminate duplicates Z: 21 31.600 2.241 0.900 0.515 0.950 0.750 CB 1.721 21 residues pruned to eliminate duplicates Z: 56 40.512 2.285 0.716 0.451 0.909 0.636 CB 1.613 56 residues pruned to eliminate duplicates Z: 88 61.084 2.318 0.858 0.492 0.920 0.598 CB 1.667 88 residues pruned to eliminate duplicates Z: 12 13.996 2.195 1.219 0.327 0.727 0.455 CB 1.441 12 residues pruned to eliminate duplicates Z: 20 32.704 2.315 1.420 0.488 0.842 0.579 CB 1.609 20 residues pruned to eliminate duplicates Z: 93 50.942 2.274 0.730 0.461 0.891 0.587 CB 1.576 93 residues pruned to eliminate duplicates Z: 18 21.752 2.214 1.075 0.369 0.882 0.647 CA 1.498 18 residues pruned to eliminate duplicates Z: 79 48.174 2.278 0.638 0.474 0.923 0.564 CB 1.626 79 residues pruned to eliminate duplicates Z: 15 13.765 2.004 0.915 0.324 0.786 0.357 CA 1.481 15 residues pruned to eliminate duplicates Z: 12 11.322 2.175 0.982 0.192 0.727 0.273 CB 1.572 12 residues pruned to eliminate duplicates Z: 25 20.401 2.079 0.808 0.361 0.875 0.375 CB 1.470 25 residues pruned to eliminate duplicates Z: 16 14.625 2.063 0.900 0.367 0.800 0.333 CB 1.390 16 residues pruned to eliminate duplicates Z: 21 26.904 2.177 1.084 0.530 0.950 0.450 CB 1.355 21 residues pruned to eliminate duplicates Z: 30 35.940 2.295 1.186 0.434 0.897 0.655 CB 1.589 30 residues pruned to eliminate duplicates Z: 23 24.067 2.185 0.969 0.448 0.818 0.545 CB 1.538 23 residues pruned to eliminate duplicates Z: 22 22.964 2.242 0.886 0.471 0.857 0.476 CB 1.425 22 residues pruned to eliminate duplicates Z: 67 47.608 2.318 0.767 0.466 0.939 0.576 CB 1.576 67 residues pruned to eliminate duplicates Z: 21 25.004 2.241 0.730 0.476 0.900 0.500 CB 1.643 21 residues pruned to eliminate duplicates Z: 12 16.631 2.039 1.109 0.559 0.818 0.545 CB 1.346 12 residues pruned to eliminate duplicates 490 residues left after pruning, divided into chains as follows: A: 12 B: 37 C: 40 D: 40 E: 245 F: 110 G: 6 CC for partial structure against native data = 42.56 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.443, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.506, Connect. = 0.739 for dens.mod. cycle 2 = 0.300, Contrast = 0.609, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.617, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.627, Connect. = 0.776 for dens.mod. cycle 5 = 0.300, Contrast = 0.631, Connect. = 0.778 for dens.mod. cycle 6 = 0.300, Contrast = 0.637, Connect. = 0.779 for dens.mod. cycle 7 = 0.300, Contrast = 0.639, Connect. = 0.780 for dens.mod. cycle 8 = 0.300, Contrast = 0.641, Connect. = 0.781 for dens.mod. cycle 9 = 0.300, Contrast = 0.642, Connect. = 0.782 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3114 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 669 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 17.495 2.167 0.573 0.399 0.828 0.517 CB 1.281 B: 64 40.152 2.255 0.867 0.444 0.873 0.556 CB 1.458 C: 68 42.171 2.260 0.727 0.441 0.940 0.552 CB 1.492 D: 57 41.064 2.294 0.977 0.491 0.893 0.554 CB 1.368 57 residues pruned to eliminate duplicates E: 52 38.562 2.287 0.906 0.485 0.882 0.588 CB 1.425 52 residues pruned to eliminate duplicates F: 78 44.354 2.296 0.721 0.481 0.883 0.610 CB 1.476 59 residues pruned to eliminate duplicates G: 14 13.566 2.162 0.876 0.387 0.769 0.538 CB 1.360 14 residues pruned to eliminate duplicates H: 18 25.391 2.169 0.950 0.560 1.000 0.588 CB 1.373 I: 36 22.581 1.995 0.658 0.431 0.857 0.486 CB 1.445 J: 20 15.178 2.054 0.668 0.431 0.895 0.737 CB 1.220 K: 20 20.357 2.156 0.959 0.426 0.947 0.684 CB 1.260 19 residues pruned to eliminate duplicates L: 94 56.007 2.171 0.950 0.527 0.849 0.591 CB 1.572 24 residues pruned to eliminate duplicates M: 28 17.180 1.967 0.655 0.373 0.889 0.593 CB 1.309 28 residues pruned to eliminate duplicates N: 15 15.245 2.052 0.507 0.503 1.000 0.714 CB 1.313 O: 15 19.320 2.074 1.046 0.624 0.857 0.714 CB 1.263 15 residues pruned to eliminate duplicates P: 51 39.404 2.321 0.818 0.499 0.900 0.640 CB 1.469 51 residues pruned to eliminate duplicates Q: 43 31.159 2.271 0.435 0.437 0.952 0.476 CB 1.655 39 residues pruned to eliminate duplicates R: 53 44.770 2.331 0.992 0.541 0.808 0.577 CB 1.591 53 residues pruned to eliminate duplicates S: 77 51.710 2.321 0.618 0.489 0.961 0.632 CB 1.662 85 residues pruned to eliminate duplicates T: 20 23.238 1.977 0.855 0.618 0.895 0.579 CB 1.454 20 residues pruned to eliminate duplicates U: 21 28.639 2.236 1.415 0.498 0.800 0.550 CB 1.486 21 residues pruned to eliminate duplicates V: 59 44.141 2.319 0.941 0.489 0.897 0.603 CB 1.452 64 residues pruned to eliminate duplicates W: 13 10.890 2.118 0.720 0.341 0.750 0.500 CA 1.368 13 residues pruned to eliminate duplicates X: 76 43.565 2.306 0.793 0.484 0.827 0.533 CB 1.496 76 residues pruned to eliminate duplicates Y: 43 36.526 2.273 0.829 0.498 0.905 0.595 CB 1.502 43 residues pruned to eliminate duplicates Z: 59 37.243 2.283 0.713 0.483 0.897 0.672 CB 1.419 59 residues pruned to eliminate duplicates Z: 90 51.953 2.265 0.927 0.500 0.865 0.607 CB 1.458 90 residues pruned to eliminate duplicates Z: 77 43.097 2.244 0.814 0.471 0.882 0.566 CB 1.419 77 residues pruned to eliminate duplicates Z: 20 23.965 2.170 0.974 0.528 0.947 0.684 CB 1.318 Z: 21 19.870 2.155 0.570 0.424 0.950 0.500 CA 1.496 21 residues pruned to eliminate duplicates Z: 29 19.297 1.998 0.644 0.417 0.964 0.607 CB 1.256 21 residues pruned to eliminate duplicates Z: 23 27.555 2.058 0.741 0.609 0.955 0.773 CB 1.549 Z: 88 51.676 2.245 0.889 0.470 0.885 0.540 CB 1.523 88 residues pruned to eliminate duplicates Z: 70 48.484 2.286 0.846 0.489 0.913 0.609 CB 1.532 70 residues pruned to eliminate duplicates Z: 16 23.977 2.219 1.039 0.470 0.867 0.667 CB 1.627 16 residues pruned to eliminate duplicates Z: 65 35.572 2.112 0.735 0.491 0.844 0.406 CB 1.452 65 residues pruned to eliminate duplicates Z: 32 35.807 2.259 1.000 0.474 0.968 0.452 CB 1.511 32 residues pruned to eliminate duplicates Z: 13 22.604 2.191 1.080 0.679 0.833 0.667 CB 1.457 13 residues pruned to eliminate duplicates Z: 46 39.423 2.237 1.073 0.526 0.867 0.600 CB 1.426 67 residues pruned to eliminate duplicates Z: 8 16.335 2.201 0.695 0.872 0.714 0.571 CA 1.689 Z: 40 37.449 2.294 0.668 0.526 0.897 0.667 CA 1.702 40 residues pruned to eliminate duplicates Z: 130 56.815 2.182 0.805 0.481 0.922 0.589 CB 1.404 82 residues pruned to eliminate duplicates Z: 17 20.008 1.853 0.797 0.642 0.875 0.812 CA 1.504 17 residues pruned to eliminate duplicates Z: 76 48.796 2.245 0.935 0.508 0.840 0.560 CB 1.533 76 residues pruned to eliminate duplicates Z: 16 16.725 1.907 0.591 0.645 0.867 0.733 CA 1.434 16 residues pruned to eliminate duplicates Z: 18 30.572 2.414 0.906 0.540 0.941 0.706 CB 1.647 18 residues pruned to eliminate duplicates Z: 14 15.096 1.890 0.964 0.494 0.846 0.538 CB 1.342 Z: 56 43.255 2.294 0.852 0.553 0.873 0.636 CB 1.494 56 residues pruned to eliminate duplicates Z: 59 41.818 2.287 0.904 0.477 0.879 0.690 CB 1.468 59 residues pruned to eliminate duplicates Z: 73 45.899 2.313 0.791 0.463 0.889 0.583 CB 1.525 74 residues pruned to eliminate duplicates Z: 19 13.494 2.307 0.387 0.380 0.889 0.556 CB 1.271 19 residues pruned to eliminate duplicates Z: 73 50.113 2.264 0.727 0.525 0.917 0.681 CB 1.608 73 residues pruned to eliminate duplicates Z: 30 18.163 2.232 0.379 0.384 0.897 0.483 CB 1.382 30 residues pruned to eliminate duplicates Z: 83 50.903 2.228 0.802 0.504 0.878 0.549 CB 1.589 83 residues pruned to eliminate duplicates Z: 39 37.724 2.191 0.770 0.558 0.895 0.632 CB 1.667 39 residues pruned to eliminate duplicates Z: 87 43.605 2.217 0.811 0.492 0.872 0.616 CB 1.353 77 residues pruned to eliminate duplicates Z: 43 22.102 2.082 0.610 0.453 0.786 0.619 CB 1.359 43 residues pruned to eliminate duplicates Z: 79 45.301 2.295 0.705 0.453 0.859 0.526 CB 1.602 79 residues pruned to eliminate duplicates Z: 60 43.471 2.275 0.908 0.488 0.898 0.559 CB 1.469 60 residues pruned to eliminate duplicates Z: 88 47.664 2.264 0.701 0.483 0.885 0.575 CB 1.525 88 residues pruned to eliminate duplicates Z: 24 14.699 2.008 0.493 0.434 0.870 0.696 CB 1.258 24 residues pruned to eliminate duplicates Z: 25 27.887 2.004 0.769 0.591 0.917 0.667 CB 1.606 24 residues pruned to eliminate duplicates Z: 24 42.642 2.288 1.184 0.626 0.957 0.565 CB 1.651 24 residues pruned to eliminate duplicates Z: 13 9.227 1.976 0.668 0.478 0.667 0.500 CB 1.240 13 residues pruned to eliminate duplicates Z: 29 21.666 2.150 0.754 0.419 0.857 0.464 CB 1.378 29 residues pruned to eliminate duplicates Z: 27 22.334 2.041 1.155 0.469 0.731 0.500 CB 1.407 14 residues pruned to eliminate duplicates Z: 38 37.026 2.320 0.984 0.496 0.865 0.568 CB 1.535 38 residues pruned to eliminate duplicates Z: 16 15.222 2.164 0.409 0.482 0.800 0.400 CA 1.642 16 residues pruned to eliminate duplicates Z: 23 28.893 2.128 0.735 0.601 0.909 0.773 CB 1.667 23 residues pruned to eliminate duplicates Z: 24 19.562 2.137 0.507 0.469 0.783 0.348 CB 1.670 24 residues pruned to eliminate duplicates Z: 35 26.739 2.160 0.641 0.569 0.824 0.500 CB 1.469 35 residues pruned to eliminate duplicates Z: 22 24.039 2.087 1.080 0.434 0.905 0.571 CA 1.430 22 residues pruned to eliminate duplicates Z: 39 33.200 2.293 0.475 0.487 0.947 0.605 CB 1.702 39 residues pruned to eliminate duplicates Z: 25 14.085 1.997 0.428 0.264 0.875 0.500 CB 1.507 25 residues pruned to eliminate duplicates Z: 12 16.385 2.041 0.787 0.397 1.000 0.636 CA 1.510 12 residues pruned to eliminate duplicates Z: 15 9.492 1.958 0.172 0.513 0.786 0.571 CB 1.388 15 residues pruned to eliminate duplicates Z: 24 18.222 2.150 0.461 0.405 0.870 0.391 CA 1.537 24 residues pruned to eliminate duplicates Z: 20 20.853 2.163 0.912 0.508 0.895 0.632 CB 1.283 22 residues pruned to eliminate duplicates Z: 14 10.217 1.714 0.720 0.475 0.923 0.692 CB 1.068 15 residues pruned to eliminate duplicates Z: 47 29.608 2.090 0.688 0.459 0.957 0.565 CB 1.350 49 residues pruned to eliminate duplicates Z: 12 21.152 1.983 1.056 0.791 0.818 0.455 CA 1.481 8 residues pruned to eliminate duplicates Z: 19 16.655 2.087 0.908 0.417 0.889 0.722 CB 1.209 19 residues pruned to eliminate duplicates Z: 20 24.458 2.196 0.742 0.544 1.000 0.737 CB 1.405 20 residues pruned to eliminate duplicates Z: 16 15.282 2.375 0.431 0.361 0.867 0.533 CB 1.555 16 residues pruned to eliminate duplicates Z: 83 54.699 2.248 0.898 0.483 0.927 0.585 CB 1.554 83 residues pruned to eliminate duplicates Z: 68 50.119 2.319 0.917 0.463 0.940 0.537 CB 1.521 68 residues pruned to eliminate duplicates Z: 89 53.319 2.267 0.936 0.502 0.886 0.580 CB 1.458 89 residues pruned to eliminate duplicates Z: 77 49.387 2.318 0.694 0.513 0.882 0.579 CB 1.616 77 residues pruned to eliminate duplicates Z: 11 5.531 1.884 0.355 0.341 0.600 0.400 CA 1.357 11 residues pruned to eliminate duplicates Z: 52 39.426 2.332 0.919 0.481 0.863 0.569 CB 1.457 52 residues pruned to eliminate duplicates Z: 23 30.667 2.109 0.799 0.608 0.955 0.773 CB 1.629 23 residues pruned to eliminate duplicates Z: 11 22.086 2.202 0.826 0.844 0.900 0.700 CA 1.436 Z: 10 18.149 2.107 0.980 0.769 0.667 0.556 CA 1.715 10 residues pruned to eliminate duplicates Z: 18 15.613 2.302 0.364 0.436 0.882 0.588 CB 1.460 18 residues pruned to eliminate duplicates Z: 11 19.998 2.057 0.689 0.888 0.900 0.500 CA 1.457 12 residues pruned to eliminate duplicates Z: 20 12.387 1.844 0.489 0.446 0.789 0.526 CB 1.386 22 residues pruned to eliminate duplicates Z: 51 32.151 2.168 0.527 0.469 0.900 0.540 CB 1.574 51 residues pruned to eliminate duplicates Z: 46 30.613 2.092 0.654 0.490 0.956 0.578 CB 1.394 46 residues pruned to eliminate duplicates Z: 28 15.161 1.984 0.840 0.323 0.852 0.407 CB 1.141 28 residues pruned to eliminate duplicates Z: 24 24.846 2.023 0.662 0.556 0.913 0.739 CB 1.598 24 residues pruned to eliminate duplicates Z: 11 9.926 1.805 0.648 0.436 0.900 0.400 CB 1.253 11 residues pruned to eliminate duplicates Z: 23 25.596 2.107 0.687 0.598 0.864 0.818 CB 1.618 23 residues pruned to eliminate duplicates Z: 12 17.847 2.154 0.974 0.563 0.818 0.636 CA 1.455 12 residues pruned to eliminate duplicates Z: 21 22.117 2.180 1.085 0.482 0.800 0.600 CB 1.384 21 residues pruned to eliminate duplicates Z: 10 5.508 1.899 0.680 0.196 0.667 0.444 CB 1.240 10 residues pruned to eliminate duplicates Z: 66 51.462 2.362 0.837 0.476 0.923 0.585 CB 1.633 66 residues pruned to eliminate duplicates Z: 88 48.014 2.220 0.824 0.463 0.885 0.552 CB 1.492 88 residues pruned to eliminate duplicates Z: 19 22.949 2.208 0.630 0.540 1.000 0.667 CB 1.445 19 residues pruned to eliminate duplicates Z: 18 16.931 2.105 0.563 0.442 0.941 0.529 CB 1.408 18 residues pruned to eliminate duplicates Z: 71 47.038 2.315 0.841 0.478 0.886 0.514 CB 1.523 71 residues pruned to eliminate duplicates Z: 23 27.043 2.121 0.648 0.571 0.955 0.727 CB 1.614 23 residues pruned to eliminate duplicates Z: 16 16.972 2.199 0.467 0.509 0.867 0.467 CB 1.553 16 residues pruned to eliminate duplicates Z: 87 51.159 2.276 0.803 0.510 0.919 0.558 CB 1.450 87 residues pruned to eliminate duplicates Z: 34 25.795 2.020 0.664 0.558 0.939 0.636 CB 1.345 34 residues pruned to eliminate duplicates Z: 16 19.612 2.236 0.828 0.450 0.867 0.667 CB 1.504 16 residues pruned to eliminate duplicates Z: 18 15.999 1.926 0.789 0.449 0.882 0.529 CB 1.344 12 residues pruned to eliminate duplicates Z: 72 44.442 2.269 0.596 0.511 0.915 0.648 CB 1.574 72 residues pruned to eliminate duplicates Z: 56 43.481 2.289 0.694 0.490 0.909 0.636 CB 1.680 56 residues pruned to eliminate duplicates Z: 18 12.017 2.189 0.348 0.350 0.882 0.471 CB 1.316 18 residues pruned to eliminate duplicates Z: 24 24.938 2.017 0.785 0.577 0.870 0.739 CB 1.542 24 residues pruned to eliminate duplicates Z: 13 20.465 2.086 0.807 0.650 0.833 0.833 CA 1.635 13 residues pruned to eliminate duplicates Z: 14 10.167 2.007 0.356 0.524 0.769 0.385 CB 1.316 14 residues pruned to eliminate duplicates Z: 25 26.690 2.176 0.817 0.571 0.875 0.750 CB 1.470 25 residues pruned to eliminate duplicates Z: 25 14.676 1.938 0.453 0.484 0.875 0.625 CB 1.235 25 residues pruned to eliminate duplicates Z: 19 21.575 2.226 0.799 0.495 0.889 0.667 CB 1.436 19 residues pruned to eliminate duplicates Z: 7 20.359 2.239 0.922 0.755 1.000 0.833 CA 1.539 7 residues pruned to eliminate duplicates Z: 29 17.656 2.051 0.695 0.474 0.821 0.536 CB 1.199 16 residues pruned to eliminate duplicates Z: 9 5.050 1.801 0.329 0.499 0.750 0.625 CB 0.995 9 residues pruned to eliminate duplicates Z: 15 13.329 1.918 0.723 0.404 0.786 0.429 CB 1.517 15 residues pruned to eliminate duplicates Z: 15 9.665 1.904 0.337 0.448 0.786 0.500 CA 1.363 15 residues pruned to eliminate duplicates Z: 12 10.105 2.123 0.496 0.402 0.727 0.455 CA 1.462 12 residues pruned to eliminate duplicates Z: 10 16.637 2.301 0.667 0.499 0.889 0.444 CB 1.628 10 residues pruned to eliminate duplicates Z: 25 46.288 2.363 1.197 0.623 1.000 0.750 CB 1.621 25 residues pruned to eliminate duplicates Z: 47 28.020 2.033 0.644 0.496 0.978 0.674 CB 1.268 51 residues pruned to eliminate duplicates Z: 69 38.571 2.275 0.642 0.473 0.882 0.618 CB 1.458 69 residues pruned to eliminate duplicates Z: 26 18.762 2.086 0.430 0.529 0.920 0.640 CB 1.328 27 residues pruned to eliminate duplicates Z: 10 7.139 1.848 0.357 0.543 0.778 0.556 CB 1.170 10 residues pruned to eliminate duplicates Z: 42 37.582 2.283 0.857 0.507 0.878 0.488 CB 1.567 42 residues pruned to eliminate duplicates Z: 29 28.910 2.206 0.833 0.542 0.893 0.714 CB 1.452 29 residues pruned to eliminate duplicates Z: 35 18.534 1.972 0.582 0.523 0.853 0.618 CB 1.167 27 residues pruned to eliminate duplicates Z: 38 36.175 2.334 0.517 0.501 1.000 0.676 CB 1.678 38 residues pruned to eliminate duplicates Z: 15 18.462 1.938 0.581 0.675 0.857 0.643 CA 1.600 15 residues pruned to eliminate duplicates Z: 12 9.989 1.779 0.711 0.372 0.909 0.636 CB 1.249 12 residues pruned to eliminate duplicates Z: 35 23.644 1.991 0.467 0.572 0.941 0.588 CB 1.376 35 residues pruned to eliminate duplicates Z: 11 9.444 1.922 0.766 0.345 0.800 0.500 CA 1.302 11 residues pruned to eliminate duplicates Z: 90 53.725 2.243 0.699 0.494 0.921 0.573 CB 1.631 90 residues pruned to eliminate duplicates Z: 13 17.703 2.049 0.664 0.593 0.833 0.750 CA 1.645 13 residues pruned to eliminate duplicates Z: 56 42.767 2.230 0.805 0.524 0.855 0.527 CB 1.638 56 residues pruned to eliminate duplicates Z: 24 24.398 2.046 0.617 0.555 0.913 0.652 CB 1.596 24 residues pruned to eliminate duplicates Z: 86 53.356 2.329 0.843 0.504 0.894 0.565 CB 1.502 86 residues pruned to eliminate duplicates Z: 62 28.606 2.137 0.664 0.456 0.852 0.607 CB 1.263 62 residues pruned to eliminate duplicates Z: 40 31.735 2.221 0.621 0.502 0.846 0.615 CB 1.664 40 residues pruned to eliminate duplicates Z: 13 11.767 1.965 0.334 0.459 0.917 0.583 CB 1.474 13 residues pruned to eliminate duplicates Z: 51 33.961 2.092 0.798 0.531 0.920 0.640 CB 1.347 51 residues pruned to eliminate duplicates Z: 66 40.868 2.256 0.787 0.458 0.877 0.600 CB 1.497 66 residues pruned to eliminate duplicates Z: 6 3.712 1.658 0.355 0.573 0.800 0.600 CB 0.860 6 residues pruned to eliminate duplicates Z: 47 39.196 2.298 0.877 0.464 0.913 0.522 CB 1.523 47 residues pruned to eliminate duplicates Z: 74 39.482 2.203 0.591 0.464 0.890 0.521 CB 1.536 74 residues pruned to eliminate duplicates Z: 9 14.815 2.016 0.647 0.821 0.750 0.500 CA 1.593 9 residues pruned to eliminate duplicates Z: 75 46.428 2.218 0.606 0.486 0.932 0.527 CB 1.649 75 residues pruned to eliminate duplicates Z: 24 27.218 2.275 0.542 0.551 0.913 0.609 CB 1.685 24 residues pruned to eliminate duplicates Z: 11 22.243 2.175 0.819 0.820 1.000 0.600 CA 1.347 11 residues pruned to eliminate duplicates Z: 40 31.518 2.266 0.520 0.455 0.949 0.538 CB 1.617 40 residues pruned to eliminate duplicates Z: 18 21.816 2.044 0.777 0.585 0.941 0.588 CB 1.427 18 residues pruned to eliminate duplicates Z: 18 17.428 2.084 0.628 0.515 0.824 0.471 CA 1.490 18 residues pruned to eliminate duplicates Z: 23 15.869 1.798 0.781 0.530 0.727 0.500 CB 1.410 24 residues pruned to eliminate duplicates Z: 12 9.364 2.094 0.583 0.460 0.636 0.364 CB 1.395 12 residues pruned to eliminate duplicates Z: 10 14.527 2.093 0.470 0.789 0.778 0.778 CA 1.569 10 residues pruned to eliminate duplicates Z: 11 20.850 2.245 0.779 0.618 0.900 0.900 CB 1.641 11 residues pruned to eliminate duplicates Z: 6 7.454 1.951 0.397 0.700 0.800 0.400 CB 1.275 Z: 21 16.193 2.115 0.401 0.483 0.900 0.600 CB 1.382 21 residues pruned to eliminate duplicates Z: 10 8.654 1.739 0.366 0.524 1.000 0.667 CA 1.186 10 residues pruned to eliminate duplicates Z: 11 14.458 2.065 0.635 0.542 0.900 0.500 CB 1.443 11 residues pruned to eliminate duplicates Z: 25 14.082 1.866 0.578 0.482 0.917 0.417 CB 1.084 25 residues pruned to eliminate duplicates Z: 18 14.286 1.992 0.429 0.374 0.941 0.529 CB 1.481 18 residues pruned to eliminate duplicates Z: 23 31.390 2.101 0.799 0.623 0.955 0.773 CB 1.651 23 residues pruned to eliminate duplicates Z: 14 9.735 1.852 0.503 0.507 0.769 0.385 CB 1.252 14 residues pruned to eliminate duplicates Z: 11 19.645 1.970 0.741 0.771 0.900 0.800 CA 1.584 11 residues pruned to eliminate duplicates Z: 24 16.057 2.094 0.603 0.412 0.826 0.652 CB 1.323 24 residues pruned to eliminate duplicates Z: 9 12.248 1.849 0.859 0.772 0.875 0.625 CB 1.132 9 residues pruned to eliminate duplicates Z: 37 28.177 2.252 0.622 0.462 0.944 0.583 CB 1.415 37 residues pruned to eliminate duplicates Z: 30 13.920 1.904 0.445 0.387 0.724 0.448 CB 1.462 36 residues pruned to eliminate duplicates Z: 17 21.938 2.032 0.770 0.665 0.938 0.500 CB 1.396 16 residues pruned to eliminate duplicates Z: 76 52.244 2.293 0.759 0.489 0.960 0.587 CB 1.575 76 residues pruned to eliminate duplicates Z: 8 20.016 2.319 0.949 0.815 1.000 1.000 CB 1.273 8 residues pruned to eliminate duplicates Z: 24 22.725 1.995 0.526 0.558 0.957 0.609 CB 1.539 24 residues pruned to eliminate duplicates Z: 21 26.237 2.217 1.227 0.465 0.850 0.600 CB 1.449 21 residues pruned to eliminate duplicates Z: 8 10.080 1.963 0.982 0.606 0.857 0.714 CB 1.033 6 residues pruned to eliminate duplicates Z: 38 27.914 2.120 0.778 0.552 0.838 0.622 CB 1.381 38 residues pruned to eliminate duplicates Z: 100 54.895 2.262 0.675 0.491 0.929 0.636 CB 1.582 100 residues pruned to eliminate duplicates Z: 76 44.864 2.312 0.730 0.475 0.880 0.493 CB 1.509 76 residues pruned to eliminate duplicates Z: 9 5.926 1.733 0.512 0.590 0.875 0.750 CB 0.838 9 residues pruned to eliminate duplicates Z: 12 9.868 1.797 0.478 0.554 0.909 0.727 CB 1.169 Z: 11 25.729 2.197 0.906 0.856 1.000 0.700 CA 1.433 11 residues pruned to eliminate duplicates Z: 11 21.355 1.972 0.870 0.758 0.900 0.500 CB 1.619 11 residues pruned to eliminate duplicates Z: 9 6.308 1.768 -0.125 0.665 0.875 0.750 CB 1.413 Z: 6 2.589 1.653 -0.256 0.790 1.000 0.800 CB 0.730 Z: 53 30.291 2.067 0.775 0.480 0.904 0.519 CB 1.293 53 residues pruned to eliminate duplicates Z: 40 24.620 2.050 0.597 0.455 0.923 0.564 CB 1.367 40 residues pruned to eliminate duplicates Z: 11 8.733 1.927 0.188 0.421 0.900 0.600 CA 1.455 11 residues pruned to eliminate duplicates Z: 41 22.000 2.137 0.694 0.376 0.850 0.625 CB 1.290 41 residues pruned to eliminate duplicates Z: 19 17.196 2.155 0.870 0.426 0.833 0.556 CB 1.303 19 residues pruned to eliminate duplicates Z: 44 43.578 2.324 1.032 0.540 0.884 0.628 CB 1.532 44 residues pruned to eliminate duplicates Z: 14 11.843 2.219 0.823 0.385 0.769 0.462 CB 1.193 14 residues pruned to eliminate duplicates Z: 42 20.448 2.081 0.674 0.446 0.829 0.585 CB 1.168 38 residues pruned to eliminate duplicates Z: 106 53.704 2.256 0.660 0.479 0.895 0.638 CB 1.597 106 residues pruned to eliminate duplicates Z: 11 18.227 2.070 0.676 0.795 1.000 0.600 CB 1.283 11 residues pruned to eliminate duplicates Z: 24 31.810 2.064 0.878 0.646 0.913 0.783 CB 1.635 24 residues pruned to eliminate duplicates Z: 20 18.499 2.192 0.949 0.404 0.842 0.632 CB 1.304 20 residues pruned to eliminate duplicates Z: 14 23.829 1.998 0.902 0.736 0.923 0.846 CA 1.524 14 residues pruned to eliminate duplicates Z: 13 8.538 1.775 0.414 0.537 0.833 0.667 CB 1.137 13 residues pruned to eliminate duplicates Z: 31 18.917 2.022 0.694 0.412 0.933 0.533 CB 1.184 31 residues pruned to eliminate duplicates Z: 23 26.038 2.064 0.655 0.539 0.909 0.773 CB 1.719 23 residues pruned to eliminate duplicates Z: 11 9.221 1.716 0.414 0.537 0.900 0.600 CB 1.288 9 residues pruned to eliminate duplicates Z: 9 6.679 1.824 -0.030 0.843 1.000 0.875 CB 0.994 Z: 30 24.386 2.140 0.513 0.532 0.862 0.655 CA 1.572 30 residues pruned to eliminate duplicates Z: 11 12.839 1.868 0.375 0.647 1.000 0.800 CB 1.378 12 residues pruned to eliminate duplicates Z: 8 10.919 1.917 0.625 0.596 0.857 0.714 CB 1.410 8 residues pruned to eliminate duplicates Z: 23 30.155 2.116 0.811 0.622 0.909 0.864 CB 1.646 23 residues pruned to eliminate duplicates Z: 6 6.404 1.894 0.656 0.493 1.000 0.800 CB 0.920 Z: 7 7.335 1.851 0.425 0.637 0.833 0.833 CB 1.198 7 residues pruned to eliminate duplicates Z: 59 43.809 2.321 0.714 0.443 0.948 0.621 CB 1.618 59 residues pruned to eliminate duplicates Z: 7 4.958 1.764 0.001 0.685 0.833 0.667 CB 1.161 Z: 11 12.804 2.055 0.665 0.597 0.800 0.600 CB 1.348 11 residues pruned to eliminate duplicates Z: 40 30.285 2.076 0.732 0.536 1.000 0.538 CB 1.301 40 residues pruned to eliminate duplicates Z: 18 17.397 2.163 0.514 0.477 0.941 0.765 CB 1.401 18 residues pruned to eliminate duplicates Z: 13 11.927 2.054 0.764 0.452 0.750 0.583 CB 1.330 13 residues pruned to eliminate duplicates Z: 27 24.180 2.164 0.649 0.488 0.885 0.731 CB 1.520 27 residues pruned to eliminate duplicates Z: 23 21.587 2.128 0.930 0.433 0.864 0.500 CB 1.391 23 residues pruned to eliminate duplicates Z: 11 5.114 1.566 0.312 0.339 0.700 0.300 O 1.340 11 residues pruned to eliminate duplicates Z: 70 46.054 2.299 0.629 0.472 0.928 0.536 CB 1.642 70 residues pruned to eliminate duplicates Z: 14 20.795 1.982 0.988 0.570 0.846 0.692 C 1.616 14 residues pruned to eliminate duplicates Z: 6 4.792 1.577 0.229 0.769 0.800 0.800 CB 1.090 6 residues pruned to eliminate duplicates Z: 12 18.408 1.936 0.726 0.774 1.000 0.727 CB 1.304 12 residues pruned to eliminate duplicates Z: 14 18.891 2.171 0.641 0.495 0.846 0.462 CB 1.745 14 residues pruned to eliminate duplicates Z: 9 5.303 1.865 0.408 0.390 0.750 0.375 CB 1.070 9 residues pruned to eliminate duplicates Z: 70 48.826 2.347 0.686 0.472 0.913 0.681 CB 1.673 70 residues pruned to eliminate duplicates Z: 49 32.417 2.074 0.731 0.510 0.958 0.604 CB 1.346 49 residues pruned to eliminate duplicates Z: 11 15.696 2.026 0.527 0.689 0.900 0.800 CB 1.500 11 residues pruned to eliminate duplicates Z: 75 44.851 2.224 0.820 0.522 0.892 0.649 CB 1.413 75 residues pruned to eliminate duplicates Z: 18 22.075 2.205 0.478 0.500 0.941 0.647 CA 1.745 18 residues pruned to eliminate duplicates Z: 23 21.765 2.148 0.659 0.460 0.955 0.591 CB 1.422 23 residues pruned to eliminate duplicates Z: 67 32.784 2.132 0.646 0.484 0.864 0.606 CB 1.354 67 residues pruned to eliminate duplicates Z: 33 26.525 2.287 0.414 0.497 0.906 0.469 CB 1.606 33 residues pruned to eliminate duplicates Z: 25 17.054 1.881 0.527 0.503 0.917 0.667 CB 1.318 25 residues pruned to eliminate duplicates Z: 71 52.590 2.343 0.683 0.509 0.929 0.657 CB 1.700 71 residues pruned to eliminate duplicates Z: 14 19.779 2.228 0.676 0.548 0.923 0.615 CB 1.518 14 residues pruned to eliminate duplicates Z: 21 22.673 2.031 0.534 0.619 0.900 0.750 CB 1.615 21 residues pruned to eliminate duplicates Z: 15 17.099 1.896 0.767 0.526 0.857 0.571 CB 1.552 15 residues pruned to eliminate duplicates Z: 15 22.899 2.226 0.807 0.567 0.857 0.500 CB 1.664 15 residues pruned to eliminate duplicates Z: 7 4.198 1.785 0.134 0.515 0.833 0.500 CB 1.001 Z: 17 11.120 1.855 0.280 0.456 0.938 0.562 CA 1.306 17 residues pruned to eliminate duplicates Z: 60 44.739 2.314 0.826 0.497 0.932 0.576 CB 1.482 60 residues pruned to eliminate duplicates Z: 25 20.525 2.002 0.804 0.498 0.958 0.667 CB 1.213 25 residues pruned to eliminate duplicates Z: 43 33.629 2.311 0.639 0.526 0.905 0.643 CB 1.476 43 residues pruned to eliminate duplicates Z: 13 9.001 1.669 0.370 0.543 1.000 0.583 CB 1.089 13 residues pruned to eliminate duplicates Z: 58 38.802 2.274 0.814 0.490 0.895 0.614 CB 1.407 58 residues pruned to eliminate duplicates Z: 8 14.657 2.071 0.575 0.609 1.000 0.571 CA 1.531 8 residues pruned to eliminate duplicates Z: 31 19.412 2.037 0.564 0.407 0.967 0.400 CB 1.270 31 residues pruned to eliminate duplicates Z: 19 25.349 2.191 0.896 0.545 0.944 0.611 CB 1.457 19 residues pruned to eliminate duplicates Z: 12 18.481 1.998 0.669 0.790 1.000 0.818 CB 1.295 12 residues pruned to eliminate duplicates Z: 10 8.924 1.876 0.019 0.594 0.889 0.778 CB 1.600 9 residues pruned to eliminate duplicates Z: 50 30.185 2.051 0.807 0.508 0.898 0.571 CB 1.285 50 residues pruned to eliminate duplicates Z: 18 18.094 1.960 0.824 0.538 0.824 0.706 CB 1.436 18 residues pruned to eliminate duplicates Z: 8 6.387 2.203 0.333 0.264 0.857 0.571 CB 1.255 8 residues pruned to eliminate duplicates Z: 74 50.451 2.280 0.854 0.495 0.918 0.630 CB 1.529 74 residues pruned to eliminate duplicates Z: 8 7.437 1.655 0.650 0.496 0.857 0.286 CB 1.206 8 residues pruned to eliminate duplicates Z: 8 7.125 1.873 -0.176 0.717 1.000 0.714 N 1.434 Z: 27 19.010 2.048 0.510 0.445 0.962 0.692 CB 1.326 27 residues pruned to eliminate duplicates Z: 14 13.553 2.130 0.833 0.454 0.769 0.538 CB 1.313 14 residues pruned to eliminate duplicates Z: 10 7.243 1.747 0.352 0.553 1.000 0.778 CB 0.970 10 residues pruned to eliminate duplicates Z: 25 25.932 1.973 0.642 0.596 0.958 0.708 CB 1.555 25 residues pruned to eliminate duplicates Z: 10 17.053 2.161 1.039 0.513 0.889 0.667 CB 1.432 10 residues pruned to eliminate duplicates Z: 24 24.274 2.014 0.667 0.560 0.870 0.696 CB 1.636 24 residues pruned to eliminate duplicates Z: 29 29.870 2.248 0.579 0.515 0.964 0.607 CB 1.624 29 residues pruned to eliminate duplicates Z: 22 13.912 1.998 0.275 0.459 0.810 0.381 CB 1.535 22 residues pruned to eliminate duplicates Z: 11 20.019 2.186 0.832 0.809 0.900 0.600 CA 1.341 11 residues pruned to eliminate duplicates Z: 23 13.448 1.876 0.416 0.438 0.864 0.636 CB 1.332 23 residues pruned to eliminate duplicates Z: 27 26.920 2.137 0.719 0.537 0.885 0.615 CB 1.567 27 residues pruned to eliminate duplicates Z: 42 29.576 2.123 0.666 0.476 0.878 0.610 CB 1.525 42 residues pruned to eliminate duplicates Z: 9 18.515 2.358 0.585 0.681 0.875 0.750 CA 1.696 9 residues pruned to eliminate duplicates Z: 7 14.752 1.970 0.707 0.735 1.000 0.667 CB 1.451 7 residues pruned to eliminate duplicates Z: 44 28.985 2.158 0.722 0.446 0.930 0.605 CB 1.352 44 residues pruned to eliminate duplicates Z: 38 24.708 2.189 0.768 0.464 0.838 0.622 CB 1.299 38 residues pruned to eliminate duplicates Z: 25 21.754 2.065 0.649 0.511 0.917 0.542 CB 1.407 25 residues pruned to eliminate duplicates Z: 6 4.207 1.901 -0.233 0.836 1.000 0.400 CB 0.966 6 residues pruned to eliminate duplicates Z: 26 25.279 1.940 0.730 0.598 0.880 0.720 CB 1.559 26 residues pruned to eliminate duplicates Z: 6 6.586 1.822 0.239 0.773 0.800 0.800 CB 1.281 Z: 25 19.096 1.893 0.585 0.554 0.958 0.792 CB 1.286 25 residues pruned to eliminate duplicates Z: 8 5.249 1.732 0.750 0.639 0.714 0.714 CB 0.805 8 residues pruned to eliminate duplicates Z: 7 4.059 1.579 0.934 0.235 0.667 0.500 CB 1.108 7 residues pruned to eliminate duplicates Z: 12 12.475 1.726 0.944 0.563 0.727 0.636 C 1.450 12 residues pruned to eliminate duplicates Z: 63 43.352 2.286 0.654 0.502 0.903 0.613 CB 1.609 63 residues pruned to eliminate duplicates Z: 54 45.123 2.353 0.612 0.457 0.981 0.566 CB 1.740 54 residues pruned to eliminate duplicates Z: 77 49.556 2.273 0.672 0.496 0.934 0.645 CB 1.607 77 residues pruned to eliminate duplicates Z: 58 49.539 2.341 0.999 0.501 0.912 0.684 CB 1.536 59 residues pruned to eliminate duplicates Z: 51 38.546 2.303 0.910 0.480 0.880 0.540 CB 1.436 51 residues pruned to eliminate duplicates Z: 7 6.330 1.904 0.455 0.535 0.667 0.667 CA 1.352 7 residues pruned to eliminate duplicates Z: 6 9.626 1.866 0.355 0.833 1.000 0.800 CB 1.277 6 residues pruned to eliminate duplicates Z: 7 7.423 2.032 -0.046 0.888 1.000 0.667 CB 1.126 7 residues pruned to eliminate duplicates Z: 32 19.096 2.156 0.529 0.450 0.839 0.613 CB 1.306 32 residues pruned to eliminate duplicates Z: 7 4.776 1.756 -0.251 0.534 1.000 0.833 CB 1.434 5 residues pruned to eliminate duplicates Z: 14 9.652 1.822 0.539 0.474 0.769 0.538 CB 1.273 14 residues pruned to eliminate duplicates Z: 105 61.565 2.290 0.785 0.504 0.913 0.635 CB 1.610 105 residues pruned to eliminate duplicates Z: 23 28.332 2.102 0.687 0.625 0.909 0.727 CB 1.666 23 residues pruned to eliminate duplicates Z: 58 42.616 2.346 0.780 0.495 0.877 0.579 CB 1.549 58 residues pruned to eliminate duplicates Z: 25 17.125 2.096 0.663 0.445 0.792 0.583 CB 1.340 25 residues pruned to eliminate duplicates Z: 14 16.079 2.089 0.602 0.628 0.923 0.692 CB 1.280 14 residues pruned to eliminate duplicates Z: 6 2.390 1.512 0.167 0.415 0.800 0.400 N 0.828 Z: 40 27.402 1.983 0.745 0.537 0.949 0.667 CB 1.288 40 residues pruned to eliminate duplicates 6 1.844 1.539 -0.399 0.537 0.800 0.600 CB 1.075 ? Z: 6 4.023 1.609 0.479 0.484 0.800 0.600 CB 0.961 Z: 20 25.498 2.173 0.844 0.553 1.000 0.842 CB 1.386 20 residues pruned to eliminate duplicates Z: 16 16.362 1.967 0.768 0.448 1.000 0.733 CB 1.282 16 residues pruned to eliminate duplicates Z: 11 15.810 2.097 0.731 0.795 0.800 0.500 CA 1.330 11 residues pruned to eliminate duplicates Z: 75 50.088 2.297 0.844 0.491 0.905 0.554 CB 1.532 75 residues pruned to eliminate duplicates Z: 37 34.944 2.028 0.751 0.607 0.972 0.639 CB 1.525 37 residues pruned to eliminate duplicates Z: 14 9.344 1.869 0.342 0.370 0.846 0.538 CB 1.403 14 residues pruned to eliminate duplicates Z: 57 37.915 2.298 0.750 0.499 0.857 0.571 CB 1.471 57 residues pruned to eliminate duplicates Z: 9 12.625 1.856 0.670 0.624 1.000 0.750 CA 1.281 9 residues pruned to eliminate duplicates Z: 18 20.591 1.947 0.694 0.615 0.824 0.647 C 1.650 Z: 6 4.054 1.647 0.531 0.571 0.800 0.800 CB 0.839 6 residues pruned to eliminate duplicates Z: 11 18.702 2.092 0.730 0.800 0.800 0.700 CA 1.572 11 residues pruned to eliminate duplicates Z: 23 22.415 2.005 1.195 0.471 0.818 0.545 CB 1.366 23 residues pruned to eliminate duplicates Z: 23 22.464 1.930 0.696 0.551 0.909 0.636 CA 1.532 23 residues pruned to eliminate duplicates Z: 13 15.194 2.125 0.791 0.544 0.833 0.583 CB 1.325 13 residues pruned to eliminate duplicates Z: 14 17.320 1.973 1.013 0.526 0.846 0.846 CB 1.393 14 residues pruned to eliminate duplicates Z: 12 25.312 1.934 0.924 0.794 1.000 1.000 CA 1.585 12 residues pruned to eliminate duplicates Z: 10 8.671 1.878 -0.029 0.691 0.889 0.778 CB 1.497 10 residues pruned to eliminate duplicates Z: 14 10.096 1.869 0.370 0.318 0.923 0.385 CB 1.447 14 residues pruned to eliminate duplicates Z: 7 4.694 1.563 0.268 0.669 0.833 0.667 N 0.992 7 residues pruned to eliminate duplicates Z: 17 24.346 2.364 0.448 0.517 1.000 0.625 CB 1.749 17 residues pruned to eliminate duplicates Z: 65 38.120 2.226 0.884 0.487 0.844 0.531 CB 1.365 65 residues pruned to eliminate duplicates Z: 10 10.838 1.855 0.433 0.635 1.000 0.778 CB 1.198 10 residues pruned to eliminate duplicates Z: 26 24.440 2.124 0.760 0.507 0.840 0.600 CB 1.546 26 residues pruned to eliminate duplicates Z: 28 17.303 2.048 0.527 0.435 0.852 0.481 CB 1.338 28 residues pruned to eliminate duplicates Z: 11 10.486 2.232 0.865 0.362 0.800 0.600 CB 1.155 11 residues pruned to eliminate duplicates Z: 15 12.713 1.931 0.719 0.451 0.857 0.429 CB 1.256 15 residues pruned to eliminate duplicates Z: 16 19.204 1.946 0.639 0.673 0.867 0.800 C 1.529 16 residues pruned to eliminate duplicates Z: 7 4.880 1.711 -0.029 0.516 0.833 0.667 O 1.417 Z: 11 4.455 1.503 0.413 0.261 0.800 0.400 N 1.090 Z: 9 11.548 1.559 0.876 0.715 1.000 0.875 CB 1.149 9 residues pruned to eliminate duplicates Z: 14 6.128 1.670 0.350 0.368 0.769 0.615 CB 1.129 14 residues pruned to eliminate duplicates Z: 20 12.637 2.010 0.636 0.417 0.842 0.632 CB 1.142 20 residues pruned to eliminate duplicates Z: 11 18.335 2.080 0.716 0.852 0.900 0.700 CA 1.335 11 residues pruned to eliminate duplicates Z: 39 44.176 2.289 0.963 0.605 0.895 0.658 CB 1.613 39 residues pruned to eliminate duplicates Z: 27 22.039 2.120 0.524 0.502 0.923 0.692 CB 1.447 27 residues pruned to eliminate duplicates Z: 11 10.181 1.703 0.381 0.616 1.000 0.700 CA 1.226 11 residues pruned to eliminate duplicates Z: 6 3.393 1.588 -0.085 0.643 0.800 0.600 CB 1.143 Z: 12 17.584 2.180 0.745 0.714 0.909 0.636 CB 1.262 12 residues pruned to eliminate duplicates Z: 11 15.330 1.834 0.654 0.726 0.900 0.600 CB 1.448 11 residues pruned to eliminate duplicates Z: 12 15.986 2.001 0.616 0.717 1.000 0.727 CB 1.224 12 residues pruned to eliminate duplicates Z: 31 30.763 1.939 0.904 0.589 0.900 0.600 CB 1.551 49 residues pruned to eliminate duplicates Z: 9 3.018 1.398 0.206 0.509 0.750 0.500 CB 0.836 Z: 6 3.448 1.624 0.002 0.484 0.800 0.800 C 1.203 Z: 7 6.621 1.733 -0.153 0.865 1.000 1.000 N 1.348 Z: 8 11.960 1.803 0.550 0.677 1.000 0.571 CA 1.374 8 residues pruned to eliminate duplicates Z: 20 25.674 2.148 0.712 0.570 1.000 0.684 CB 1.496 20 residues pruned to eliminate duplicates Z: 13 8.577 1.573 0.767 0.601 0.833 0.667 CB 0.971 Z: 59 36.613 2.244 0.784 0.455 0.914 0.569 CB 1.376 59 residues pruned to eliminate duplicates Z: 29 15.899 2.024 0.595 0.377 0.786 0.500 CB 1.350 29 residues pruned to eliminate duplicates Z: 43 31.634 2.266 0.738 0.505 0.881 0.643 CB 1.400 43 residues pruned to eliminate duplicates 6 1.549 1.855 0.097 0.100 0.400 0.200 N 1.418 ? Z: 6 6.028 1.738 -0.240 0.837 1.000 1.000 CA 1.527 Z: 33 25.216 2.265 0.660 0.472 0.875 0.594 CB 1.395 33 residues pruned to eliminate duplicates Z: 8 4.802 1.697 -0.250 0.863 1.000 0.857 CB 1.047 8 residues pruned to eliminate duplicates Z: 7 3.386 1.700 -0.233 0.682 0.833 0.833 CB 1.076 Z: 20 23.377 2.181 0.932 0.530 0.947 0.737 CB 1.304 20 residues pruned to eliminate duplicates Z: 23 26.714 2.045 0.712 0.647 0.909 0.773 CB 1.561 23 residues pruned to eliminate duplicates Z: 12 17.162 1.925 0.607 0.830 1.000 0.818 CB 1.258 12 residues pruned to eliminate duplicates Z: 14 7.006 1.689 0.856 0.308 0.615 0.462 CA 1.246 14 residues pruned to eliminate duplicates Z: 7 10.646 1.907 0.577 0.510 1.000 0.667 CA 1.432 7 residues pruned to eliminate duplicates Z: 50 30.654 2.059 0.762 0.496 0.918 0.653 CB 1.320 50 residues pruned to eliminate duplicates Z: 15 21.605 1.946 0.828 0.675 0.929 0.714 CB 1.488 26 residues pruned to eliminate duplicates Z: 22 15.128 2.114 0.477 0.435 0.810 0.524 CB 1.397 22 residues pruned to eliminate duplicates Z: 21 30.191 2.166 0.935 0.571 0.950 0.800 CA 1.582 21 residues pruned to eliminate duplicates Z: 8 6.355 1.957 0.902 0.431 0.714 0.571 CB 0.971 8 residues pruned to eliminate duplicates Z: 45 21.084 2.124 0.609 0.430 0.864 0.591 CB 1.158 45 residues pruned to eliminate duplicates Z: 10 8.606 1.464 0.911 0.644 0.889 0.778 CA 1.007 10 residues pruned to eliminate duplicates Z: 16 19.116 2.139 0.528 0.537 1.000 0.800 CB 1.456 16 residues pruned to eliminate duplicates Z: 15 4.859 1.533 0.163 0.322 0.857 0.286 N 1.034 Z: 13 21.861 2.039 0.851 0.590 0.917 0.833 CB 1.673 13 residues pruned to eliminate duplicates Z: 39 26.892 2.130 0.701 0.509 0.895 0.605 CB 1.334 39 residues pruned to eliminate duplicates Z: 7 3.646 1.598 0.097 0.474 0.833 0.500 CB 1.047 6 residues pruned to eliminate duplicates Z: 10 20.839 1.920 1.194 0.704 1.000 0.778 CB 1.369 10 residues pruned to eliminate duplicates Z: 7 4.983 1.624 0.554 0.446 0.667 0.333 CB 1.278 Z: 24 24.014 2.128 0.724 0.467 1.000 0.522 CB 1.412 24 residues pruned to eliminate duplicates Z: 36 33.596 2.225 0.707 0.500 0.914 0.571 CB 1.636 36 residues pruned to eliminate duplicates Z: 19 21.593 2.113 0.978 0.498 0.889 0.611 CB 1.373 19 residues pruned to eliminate duplicates Z: 6 4.927 1.598 0.414 0.471 1.000 0.600 CB 1.004 Z: 11 12.093 2.382 0.612 0.439 0.700 0.500 CB 1.516 11 residues pruned to eliminate duplicates Z: 6 2.928 1.554 -0.248 0.690 1.000 0.600 CB 0.942 Z: 35 38.419 2.389 0.799 0.500 0.912 0.647 CB 1.682 35 residues pruned to eliminate duplicates Z: 7 6.348 1.772 0.616 0.274 0.833 0.167 N 1.403 Z: 7 10.211 2.016 1.219 0.870 1.000 1.000 N 0.680 Z: 8 5.022 1.787 0.179 0.511 0.714 0.571 CB 1.247 Z: 36 18.717 2.023 0.649 0.421 0.857 0.514 CB 1.202 36 residues pruned to eliminate duplicates Z: 8 6.407 1.813 0.400 0.290 0.857 0.429 CB 1.409 8 residues pruned to eliminate duplicates Z: 10 9.660 1.482 0.826 0.708 0.889 0.889 CB 1.109 10 residues pruned to eliminate duplicates Z: 6 5.728 1.972 -0.131 0.752 1.000 1.000 CB 1.193 6 residues pruned to eliminate duplicates Z: 6 3.578 1.700 -0.237 0.793 0.800 0.600 CB 1.192 6 residues pruned to eliminate duplicates Z: 9 5.689 1.864 0.617 0.497 0.875 0.625 CB 0.765 9 residues pruned to eliminate duplicates Z: 7 8.338 1.908 0.948 0.715 1.000 1.000 CB 0.754 7 residues pruned to eliminate duplicates Z: 24 17.514 1.921 0.509 0.540 0.870 0.652 CB 1.393 24 residues pruned to eliminate duplicates Z: 7 3.908 1.715 0.727 0.292 0.500 0.500 CB 1.360 7 residues pruned to eliminate duplicates Z: 7 5.594 1.845 0.693 0.825 1.000 0.833 N 0.552 Z: 6 4.072 1.794 -0.209 0.825 1.000 0.800 CB 0.969 Z: 7 12.426 1.810 0.831 0.677 1.000 0.833 CB 1.300 7 residues pruned to eliminate duplicates Z: 41 28.727 2.065 0.786 0.533 0.900 0.600 CB 1.325 41 residues pruned to eliminate duplicates Z: 17 22.993 2.025 0.961 0.601 0.875 0.625 CB 1.503 17 residues pruned to eliminate duplicates Z: 6 7.933 1.839 0.318 0.806 1.000 0.600 CB 1.121 6 residues pruned to eliminate duplicates Z: 6 3.898 1.605 -0.006 0.763 1.000 1.000 CB 0.865 6 residues pruned to eliminate duplicates Z: 26 34.294 2.329 0.940 0.622 0.880 0.720 CB 1.537 26 residues pruned to eliminate duplicates Z: 13 18.738 1.956 0.533 0.739 1.000 0.667 CA 1.456 13 residues pruned to eliminate duplicates Z: 98 44.997 2.141 0.801 0.491 0.866 0.639 CB 1.381 98 residues pruned to eliminate duplicates Z: 9 3.306 1.582 0.195 0.417 0.750 0.500 CB 0.899 9 residues pruned to eliminate duplicates Z: 10 8.936 1.870 0.515 0.488 0.778 0.444 CB 1.368 10 residues pruned to eliminate duplicates Z: 6 5.441 1.869 -0.008 0.631 1.000 0.600 CB 1.161 6 residues pruned to eliminate duplicates Z: 38 23.951 2.031 0.626 0.532 0.892 0.514 CB 1.295 38 residues pruned to eliminate duplicates Z: 7 4.372 1.647 0.536 0.479 0.667 0.667 CB 1.081 7 residues pruned to eliminate duplicates Z: 32 34.945 2.298 0.579 0.505 1.000 0.613 CB 1.721 32 residues pruned to eliminate duplicates Z: 6 2.122 1.675 -0.148 0.544 1.000 0.800 CB 0.637 6 residues pruned to eliminate duplicates Z: 23 14.596 2.042 0.320 0.498 0.909 0.500 CB 1.272 23 residues pruned to eliminate duplicates Z: 7 2.733 1.457 0.338 0.454 0.833 0.500 CB 0.719 Z: 22 20.596 1.949 0.572 0.588 0.952 0.714 CB 1.416 22 residues pruned to eliminate duplicates Z: 10 13.008 1.587 0.828 0.748 1.000 0.889 CB 1.197 10 residues pruned to eliminate duplicates Z: 8 5.354 2.050 -0.051 0.368 0.714 0.429 CA 1.677 8 residues pruned to eliminate duplicates Z: 14 14.563 2.151 0.561 0.382 0.923 0.615 CA 1.478 14 residues pruned to eliminate duplicates Z: 12 13.984 2.050 1.044 0.563 0.909 0.636 CB 1.041 12 residues pruned to eliminate duplicates Z: 6 11.914 2.058 0.457 0.802 1.000 1.000 CB 1.366 6 residues pruned to eliminate duplicates Z: 49 39.087 2.241 0.751 0.529 0.917 0.646 CB 1.525 49 residues pruned to eliminate duplicates Z: 34 25.758 2.112 0.937 0.450 0.818 0.485 CB 1.411 34 residues pruned to eliminate duplicates Z: 9 6.098 1.782 0.801 0.625 0.750 0.750 CB 0.796 9 residues pruned to eliminate duplicates Z: 16 20.094 2.168 0.752 0.490 1.000 0.733 CA 1.380 16 residues pruned to eliminate duplicates Z: 27 22.563 2.086 0.925 0.534 0.846 0.654 CB 1.260 27 residues pruned to eliminate duplicates Z: 18 13.799 2.001 0.714 0.395 0.824 0.529 CB 1.324 18 residues pruned to eliminate duplicates Z: 6 7.869 1.558 1.213 0.592 1.000 0.600 CB 0.935 Z: 47 28.849 2.045 0.645 0.465 0.957 0.587 CB 1.369 47 residues pruned to eliminate duplicates Z: 17 24.815 2.188 1.024 0.518 0.875 0.688 CB 1.573 17 residues pruned to eliminate duplicates Z: 40 23.394 2.055 0.551 0.512 0.872 0.487 CB 1.333 40 residues pruned to eliminate duplicates Z: 31 22.104 2.217 0.634 0.421 0.867 0.533 CB 1.395 31 residues pruned to eliminate duplicates Z: 76 43.398 2.299 0.651 0.464 0.907 0.520 CB 1.511 82 residues pruned to eliminate duplicates Z: 13 16.147 2.094 0.911 0.463 1.000 0.667 CB 1.210 13 residues pruned to eliminate duplicates Z: 62 43.261 2.238 0.633 0.520 0.918 0.607 CB 1.618 62 residues pruned to eliminate duplicates Z: 17 11.116 1.966 0.249 0.520 0.938 0.750 CB 1.184 17 residues pruned to eliminate duplicates Z: 80 44.887 2.233 0.753 0.487 0.886 0.557 CB 1.476 80 residues pruned to eliminate duplicates Z: 14 20.484 1.978 0.734 0.643 0.923 0.846 CB 1.570 14 residues pruned to eliminate duplicates Z: 26 17.261 2.066 0.404 0.437 1.000 0.600 CB 1.270 26 residues pruned to eliminate duplicates Z: 7 6.822 1.566 0.521 0.630 1.000 0.667 CB 1.036 7 residues pruned to eliminate duplicates Z: 6 4.692 1.603 0.601 0.463 0.800 0.600 CB 1.061 6 residues pruned to eliminate duplicates Z: 8 11.960 1.908 0.468 0.705 1.000 0.857 N 1.339 Z: 10 2.934 1.681 0.514 0.343 0.778 0.556 CB 0.586 10 residues pruned to eliminate duplicates Z: 11 7.365 1.804 -0.080 0.740 1.000 0.700 CB 1.132 10 residues pruned to eliminate duplicates Z: 8 3.111 1.506 -0.026 0.308 0.857 0.714 CB 1.157 Z: 6 2.613 1.375 0.368 0.307 0.800 0.600 CB 0.962 Z: 12 9.930 1.943 0.742 0.543 0.727 0.636 CB 1.166 12 residues pruned to eliminate duplicates Z: 13 9.469 1.881 0.443 0.381 0.833 0.333 CA 1.371 13 residues pruned to eliminate duplicates Z: 10 5.763 1.626 0.131 0.466 0.889 0.556 CB 1.217 8 residues pruned to eliminate duplicates Z: 8 5.485 1.578 0.244 0.884 1.000 1.000 CB 0.763 6 residues pruned to eliminate duplicates Z: 15 27.157 1.987 0.877 0.726 1.000 0.786 CB 1.589 15 residues pruned to eliminate duplicates Z: 51 39.063 2.351 0.860 0.505 0.840 0.640 CB 1.496 51 residues pruned to eliminate duplicates Z: 70 44.672 2.232 0.670 0.477 0.928 0.565 CB 1.592 70 residues pruned to eliminate duplicates Z: 28 38.924 2.278 1.216 0.563 0.889 0.630 CB 1.570 28 residues pruned to eliminate duplicates Z: 8 2.527 1.610 0.047 0.360 0.857 0.429 CB 0.768 8 residues pruned to eliminate duplicates Z: 24 27.769 2.039 0.628 0.633 0.957 0.826 CB 1.609 24 residues pruned to eliminate duplicates Z: 10 7.557 1.851 0.136 0.442 0.889 0.667 CB 1.432 10 residues pruned to eliminate duplicates Z: 6 2.081 1.196 -0.084 0.651 1.000 0.800 CB 0.738 Z: 16 6.479 1.647 0.360 0.328 0.800 0.467 CB 1.127 16 residues pruned to eliminate duplicates Z: 6 3.056 1.600 0.325 0.460 0.600 0.400 CB 1.119 6 residues pruned to eliminate duplicates Z: 19 17.441 2.059 0.702 0.511 0.833 0.667 CB 1.391 19 residues pruned to eliminate duplicates Z: 12 8.616 1.760 0.533 0.569 0.909 0.727 CB 0.990 19 residues pruned to eliminate duplicates Z: 11 6.986 1.752 0.286 0.516 0.900 0.700 CB 1.072 11 residues pruned to eliminate duplicates Z: 24 13.424 1.996 0.617 0.435 0.783 0.565 CB 1.185 24 residues pruned to eliminate duplicates Z: 53 49.618 2.288 0.929 0.551 0.923 0.635 CB 1.606 53 residues pruned to eliminate duplicates Z: 64 46.284 2.299 0.778 0.515 0.921 0.587 CB 1.527 64 residues pruned to eliminate duplicates Z: 21 17.894 1.965 0.889 0.453 0.900 0.850 CB 1.257 21 residues pruned to eliminate duplicates 6 1.553 1.478 0.052 0.365 0.600 0.400 CB 0.860 ? Z: 22 16.162 2.077 0.630 0.455 0.762 0.476 CB 1.431 22 residues pruned to eliminate duplicates Z: 53 42.540 2.299 0.926 0.515 0.846 0.577 CB 1.551 53 residues pruned to eliminate duplicates Z: 6 3.754 1.667 0.358 0.480 1.000 0.600 CB 0.757 Z: 11 4.059 1.674 0.169 0.314 0.800 0.600 CB 1.007 11 residues pruned to eliminate duplicates Z: 11 4.759 1.341 0.080 0.549 0.900 0.500 N 1.101 11 residues pruned to eliminate duplicates Z: 26 13.458 1.753 0.514 0.532 0.880 0.640 CB 1.117 26 residues pruned to eliminate duplicates Z: 7 5.982 1.550 0.338 0.806 1.000 1.000 N 0.901 Z: 43 36.319 2.281 0.905 0.522 0.881 0.595 CB 1.432 43 residues pruned to eliminate duplicates Z: 26 20.185 2.094 0.712 0.518 0.920 0.680 CB 1.202 26 residues pruned to eliminate duplicates Z: 24 12.589 1.626 0.529 0.570 0.957 0.609 CB 1.031 22 residues pruned to eliminate duplicates Z: 29 14.509 1.895 0.413 0.492 0.821 0.607 CB 1.256 29 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 7.287 1.805 0.321 0.386 0.727 0.455 CB 1.430 12 residues pruned to eliminate duplicates Z: 12 10.394 1.944 0.513 0.516 0.818 0.545 CB 1.281 12 residues pruned to eliminate duplicates Z: 10 5.977 2.000 0.264 0.317 0.778 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 11 6.115 1.867 0.316 0.362 0.800 0.500 CB 1.141 11 residues pruned to eliminate duplicates Z: 12 6.270 1.620 0.353 0.357 0.818 0.455 CB 1.231 12 residues pruned to eliminate duplicates Z: 12 6.580 1.797 0.465 0.404 0.727 0.545 CB 1.146 12 residues pruned to eliminate duplicates Z: 13 8.589 1.695 0.669 0.289 0.750 0.333 CB 1.480 13 residues pruned to eliminate duplicates Z: 12 8.168 1.860 0.519 0.422 0.727 0.545 CB 1.300 12 residues pruned to eliminate duplicates Z: 15 12.013 1.885 0.591 0.361 0.786 0.500 CA 1.582 15 residues pruned to eliminate duplicates Z: 7 13.179 1.690 0.956 0.658 1.000 0.667 CB 1.404 7 residues pruned to eliminate duplicates Z: 12 22.485 2.149 0.943 0.742 0.909 0.727 CB 1.438 12 residues pruned to eliminate duplicates Z: 12 20.723 2.085 0.808 0.692 1.000 0.636 CA 1.390 12 residues pruned to eliminate duplicates Z: 13 19.408 2.087 0.900 0.654 0.917 0.500 CB 1.336 13 residues pruned to eliminate duplicates Z: 16 16.316 1.978 0.767 0.568 0.933 0.667 CB 1.210 16 residues pruned to eliminate duplicates Z: 11 21.322 2.203 0.886 0.795 0.900 0.500 CA 1.392 11 residues pruned to eliminate duplicates Z: 15 20.596 2.024 0.869 0.586 1.000 0.500 CB 1.340 15 residues pruned to eliminate duplicates Z: 11 21.292 2.225 0.736 0.809 0.900 0.700 CA 1.480 11 residues pruned to eliminate duplicates Z: 15 20.261 2.115 0.990 0.578 0.857 0.571 CB 1.392 15 residues pruned to eliminate duplicates Z: 14 15.803 2.112 0.547 0.619 0.923 0.462 CB 1.298 14 residues pruned to eliminate duplicates Z: 16 20.229 2.103 0.799 0.591 0.933 0.733 CB 1.356 16 residues pruned to eliminate duplicates Z: 37 34.869 2.046 0.702 0.615 0.944 0.667 CB 1.585 37 residues pruned to eliminate duplicates Z: 37 37.785 2.062 0.854 0.628 0.944 0.889 CB 1.546 37 residues pruned to eliminate duplicates Z: 38 38.961 2.025 0.789 0.642 1.000 0.757 CB 1.548 38 residues pruned to eliminate duplicates Z: 37 38.374 2.062 0.852 0.621 0.972 0.750 CB 1.536 37 residues pruned to eliminate duplicates Z: 23 31.630 2.133 0.744 0.634 0.955 0.818 CB 1.675 23 residues pruned to eliminate duplicates Z: 15 28.898 2.144 0.799 0.655 1.000 0.857 CB 1.734 16 residues pruned to eliminate duplicates Z: 6 4.350 1.653 0.438 0.149 1.000 0.800 CB 1.261 6 residues pruned to eliminate duplicates Z: 23 31.632 2.126 0.763 0.621 0.955 0.727 CB 1.681 23 residues pruned to eliminate duplicates Z: 6 3.116 1.476 0.619 0.324 0.600 0.400 CA 1.180 6 residues pruned to eliminate duplicates Z: 21 17.826 1.977 0.512 0.472 0.850 0.600 CB 1.613 21 residues pruned to eliminate duplicates Z: 24 26.061 2.049 0.765 0.571 0.870 0.696 CB 1.613 24 residues pruned to eliminate duplicates Z: 18 13.207 1.725 0.696 0.443 0.941 0.647 CB 1.234 18 residues pruned to eliminate duplicates Z: 23 29.403 2.126 0.687 0.592 0.955 0.727 CB 1.677 23 residues pruned to eliminate duplicates Z: 23 30.986 2.131 0.751 0.616 0.955 0.818 CB 1.662 23 residues pruned to eliminate duplicates Z: 22 27.892 2.108 0.627 0.597 0.952 0.810 CB 1.698 22 residues pruned to eliminate duplicates Z: 23 29.869 2.121 0.709 0.611 0.955 0.727 CB 1.656 23 residues pruned to eliminate duplicates Z: 24 25.467 2.007 0.740 0.563 0.913 0.739 CB 1.567 24 residues pruned to eliminate duplicates Z: 24 30.131 2.050 0.794 0.610 0.957 0.739 CB 1.609 24 residues pruned to eliminate duplicates Z: 22 31.203 2.119 0.764 0.624 0.952 0.762 CB 1.702 22 residues pruned to eliminate duplicates Z: 24 31.893 2.053 0.884 0.619 0.957 0.696 CB 1.607 24 residues pruned to eliminate duplicates Z: 23 28.771 2.076 0.832 0.590 0.864 0.727 CB 1.713 23 residues pruned to eliminate duplicates Z: 23 28.179 2.088 0.889 0.594 0.909 0.727 CB 1.531 23 residues pruned to eliminate duplicates Z: 9 12.591 2.067 0.740 0.592 1.000 0.875 CB 1.133 9 residues pruned to eliminate duplicates Z: 19 24.663 2.237 0.850 0.496 0.944 0.556 CB 1.492 19 residues pruned to eliminate duplicates Z: 10 15.015 2.019 1.113 0.575 0.889 0.778 CB 1.227 10 residues pruned to eliminate duplicates Z: 11 12.398 2.066 0.771 0.580 0.900 0.500 CB 1.103 11 residues pruned to eliminate duplicates Z: 24 20.500 2.113 0.586 0.424 0.957 0.478 CB 1.442 24 residues pruned to eliminate duplicates Z: 46 28.685 2.105 0.634 0.466 0.933 0.511 CB 1.379 46 residues pruned to eliminate duplicates Z: 46 23.049 2.025 0.588 0.431 0.844 0.489 CB 1.359 46 residues pruned to eliminate duplicates Z: 24 25.130 2.118 0.715 0.502 1.000 0.522 CB 1.440 24 residues pruned to eliminate duplicates Z: 45 32.586 2.138 0.619 0.483 0.977 0.477 CB 1.478 45 residues pruned to eliminate duplicates Z: 23 26.195 2.209 0.778 0.480 1.000 0.545 CB 1.451 23 residues pruned to eliminate duplicates Z: 52 31.076 2.093 0.687 0.430 0.902 0.627 CB 1.469 52 residues pruned to eliminate duplicates Z: 29 22.783 2.088 0.655 0.432 0.929 0.500 CB 1.440 29 residues pruned to eliminate duplicates Z: 30 20.758 2.058 0.631 0.456 0.931 0.690 CB 1.290 30 residues pruned to eliminate duplicates Z: 18 18.217 2.130 1.017 0.417 0.882 0.588 CB 1.270 18 residues pruned to eliminate duplicates Z: 18 15.600 2.127 0.751 0.436 0.882 0.588 CB 1.231 18 residues pruned to eliminate duplicates Z: 35 20.045 2.063 0.590 0.408 0.912 0.559 CB 1.266 35 residues pruned to eliminate duplicates Z: 22 10.951 1.729 0.452 0.407 0.952 0.714 CB 1.103 22 residues pruned to eliminate duplicates Z: 38 23.561 2.046 0.587 0.392 1.000 0.649 CB 1.337 38 residues pruned to eliminate duplicates Z: 57 26.558 2.053 0.609 0.443 0.875 0.607 CB 1.302 57 residues pruned to eliminate duplicates Z: 47 35.881 2.104 0.755 0.509 1.000 0.674 CB 1.420 47 residues pruned to eliminate duplicates Z: 31 19.239 1.981 0.557 0.431 0.900 0.533 CB 1.359 31 residues pruned to eliminate duplicates Z: 22 13.015 1.903 0.843 0.357 0.857 0.571 CB 1.102 22 residues pruned to eliminate duplicates Z: 42 20.422 1.994 0.500 0.421 0.829 0.512 CB 1.395 42 residues pruned to eliminate duplicates Z: 6 2.580 1.457 0.489 0.452 0.600 0.600 CB 0.931 6 residues pruned to eliminate duplicates Z: 22 16.225 2.062 0.470 0.482 0.857 0.619 CB 1.387 22 residues pruned to eliminate duplicates Z: 7 3.542 1.690 0.168 0.450 0.833 0.500 CB 0.925 7 residues pruned to eliminate duplicates Z: 20 23.663 2.122 0.833 0.526 0.947 0.737 CB 1.436 20 residues pruned to eliminate duplicates Z: 19 26.891 2.250 0.873 0.552 1.000 0.722 CB 1.429 19 residues pruned to eliminate duplicates Z: 19 27.755 2.259 0.802 0.590 1.000 0.611 CB 1.475 19 residues pruned to eliminate duplicates Z: 20 23.561 2.227 0.737 0.526 0.947 0.684 CB 1.437 20 residues pruned to eliminate duplicates Z: 19 26.040 2.286 0.803 0.562 0.944 0.778 CB 1.485 19 residues pruned to eliminate duplicates Z: 19 24.100 2.233 0.893 0.521 0.944 0.611 CB 1.393 19 residues pruned to eliminate duplicates Z: 21 22.446 2.150 0.762 0.513 0.950 0.600 CB 1.377 21 residues pruned to eliminate duplicates Z: 20 26.384 2.221 0.829 0.542 1.000 0.684 CB 1.429 20 residues pruned to eliminate duplicates Z: 20 20.176 2.149 0.562 0.534 1.000 0.789 CB 1.334 20 residues pruned to eliminate duplicates Z: 11 24.278 2.260 0.720 0.718 1.000 0.700 CB 1.621 11 residues pruned to eliminate duplicates Z: 19 24.536 2.237 0.788 0.547 1.000 0.722 CB 1.381 19 residues pruned to eliminate duplicates Z: 19 23.887 2.213 0.884 0.525 0.944 0.722 CB 1.395 19 residues pruned to eliminate duplicates Z: 16 25.786 2.123 0.973 0.648 0.867 0.667 CA 1.597 16 residues pruned to eliminate duplicates Z: 13 20.545 2.067 0.953 0.662 0.917 0.500 CA 1.379 13 residues pruned to eliminate duplicates Z: 15 25.716 2.184 0.976 0.636 0.857 0.643 CB 1.636 15 residues pruned to eliminate duplicates Z: 13 20.520 2.065 0.914 0.651 0.833 0.417 CA 1.562 13 residues pruned to eliminate duplicates Z: 18 20.341 1.943 0.895 0.579 0.824 0.471 CB 1.507 18 residues pruned to eliminate duplicates Z: 14 14.161 1.921 0.651 0.550 0.846 0.462 CA 1.394 14 residues pruned to eliminate duplicates Z: 13 19.881 1.970 0.937 0.604 0.917 0.500 CA 1.486 13 residues pruned to eliminate duplicates Z: 16 18.776 2.032 0.725 0.475 0.933 0.467 CB 1.520 16 residues pruned to eliminate duplicates Z: 14 14.426 1.768 0.831 0.557 0.846 0.538 CA 1.382 14 residues pruned to eliminate duplicates Z: 12 22.867 2.134 0.833 0.655 0.909 0.545 CA 1.679 12 residues pruned to eliminate duplicates Z: 15 28.224 2.009 1.262 0.701 0.929 0.643 CA 1.489 15 residues pruned to eliminate duplicates Z: 26 16.979 2.038 0.742 0.452 0.760 0.520 CB 1.322 26 residues pruned to eliminate duplicates Z: 27 23.055 2.159 0.734 0.493 0.885 0.615 CB 1.376 27 residues pruned to eliminate duplicates Z: 17 17.600 1.987 0.694 0.544 0.875 0.500 CB 1.431 17 residues pruned to eliminate duplicates Z: 39 25.491 2.099 0.659 0.508 0.868 0.526 CB 1.357 39 residues pruned to eliminate duplicates Z: 40 24.748 2.017 0.703 0.517 0.821 0.564 CB 1.383 40 residues pruned to eliminate duplicates Z: 24 20.300 2.123 0.638 0.523 0.870 0.565 CB 1.367 24 residues pruned to eliminate duplicates Z: 24 21.254 2.143 0.740 0.561 0.913 0.696 CB 1.227 24 residues pruned to eliminate duplicates Z: 29 19.352 2.034 0.822 0.485 0.857 0.536 CB 1.168 29 residues pruned to eliminate duplicates Z: 25 18.949 2.110 0.674 0.463 0.875 0.458 CB 1.299 25 residues pruned to eliminate duplicates Z: 39 29.095 2.138 0.759 0.503 0.868 0.526 CB 1.441 39 residues pruned to eliminate duplicates Z: 39 28.140 2.113 0.765 0.546 0.842 0.605 CB 1.389 39 residues pruned to eliminate duplicates Z: 45 32.162 2.065 0.899 0.573 0.864 0.591 CB 1.334 45 residues pruned to eliminate duplicates Z: 29 21.269 2.112 0.779 0.509 0.857 0.607 CB 1.236 29 residues pruned to eliminate duplicates Z: 24 21.623 2.143 0.755 0.541 0.913 0.565 CB 1.260 24 residues pruned to eliminate duplicates Z: 17 13.662 2.024 0.572 0.506 1.000 0.562 CB 1.067 17 residues pruned to eliminate duplicates Z: 19 12.246 1.901 0.482 0.468 0.889 0.611 CB 1.190 19 residues pruned to eliminate duplicates Z: 16 15.804 2.051 0.657 0.555 1.000 0.733 CB 1.139 16 residues pruned to eliminate duplicates Z: 20 16.601 2.133 0.852 0.459 0.789 0.632 CB 1.273 20 residues pruned to eliminate duplicates Z: 24 18.212 2.124 0.636 0.528 0.913 0.652 CB 1.165 24 residues pruned to eliminate duplicates Z: 23 16.379 1.931 0.626 0.560 0.909 0.591 CB 1.155 23 residues pruned to eliminate duplicates Z: 16 10.152 1.919 0.547 0.478 0.800 0.533 CB 1.128 16 residues pruned to eliminate duplicates Z: 16 16.099 2.036 0.760 0.505 0.933 0.667 CB 1.236 16 residues pruned to eliminate duplicates Z: 17 15.380 2.018 0.763 0.484 0.875 0.750 CB 1.255 17 residues pruned to eliminate duplicates Z: 22 16.551 1.943 0.732 0.531 0.905 0.762 CB 1.151 22 residues pruned to eliminate duplicates Z: 25 19.373 2.098 0.807 0.498 0.833 0.750 CB 1.255 25 residues pruned to eliminate duplicates Z: 29 19.751 2.096 0.822 0.520 0.821 0.679 CB 1.166 29 residues pruned to eliminate duplicates Z: 15 18.859 2.157 0.743 0.534 1.000 0.857 CB 1.297 15 residues pruned to eliminate duplicates Z: 17 19.772 2.080 0.815 0.586 0.875 0.750 CB 1.378 17 residues pruned to eliminate duplicates Z: 6 3.255 1.623 1.095 0.469 0.600 0.400 CB 0.737 6 residues pruned to eliminate duplicates Z: 18 18.862 2.220 0.799 0.431 0.882 0.471 CB 1.395 18 residues pruned to eliminate duplicates Z: 13 9.639 1.895 0.575 0.352 0.833 0.500 CB 1.312 13 residues pruned to eliminate duplicates Z: 14 15.697 2.051 0.788 0.445 0.846 0.615 CB 1.485 14 residues pruned to eliminate duplicates Z: 20 16.781 1.985 0.792 0.432 0.842 0.579 CB 1.378 20 residues pruned to eliminate duplicates Z: 19 20.398 2.170 1.038 0.445 0.833 0.667 CB 1.380 19 residues pruned to eliminate duplicates Z: 26 24.361 2.123 0.977 0.513 0.840 0.640 CB 1.364 26 residues pruned to eliminate duplicates Z: 19 18.479 2.126 0.892 0.430 0.889 0.722 CB 1.310 19 residues pruned to eliminate duplicates Z: 20 19.560 2.144 0.929 0.407 0.842 0.737 CB 1.421 20 residues pruned to eliminate duplicates Z: 19 20.683 2.172 0.867 0.462 0.889 0.833 CB 1.405 19 residues pruned to eliminate duplicates Z: 18 22.940 2.209 0.983 0.444 0.882 0.765 CB 1.525 18 residues pruned to eliminate duplicates Z: 19 22.085 2.074 0.891 0.405 0.889 0.611 CB 1.651 19 residues pruned to eliminate duplicates Z: 71 46.631 2.273 0.887 0.466 0.886 0.543 CB 1.519 71 residues pruned to eliminate duplicates Z: 31 29.447 2.086 0.856 0.554 0.933 0.667 CB 1.412 31 residues pruned to eliminate duplicates Z: 48 34.594 2.060 0.726 0.566 0.979 0.681 CB 1.360 48 residues pruned to eliminate duplicates Z: 39 29.734 2.090 0.817 0.570 0.895 0.632 CB 1.327 39 residues pruned to eliminate duplicates Z: 14 14.186 2.175 0.676 0.544 0.846 0.615 CB 1.221 14 residues pruned to eliminate duplicates Z: 96 46.854 2.149 0.847 0.509 0.895 0.600 CB 1.341 96 residues pruned to eliminate duplicates Z: 24 23.700 2.228 0.953 0.534 0.870 0.652 CB 1.264 24 residues pruned to eliminate duplicates Z: 49 32.468 2.097 0.765 0.537 0.896 0.625 CB 1.363 49 residues pruned to eliminate duplicates Z: 38 29.537 2.123 0.843 0.513 0.892 0.568 CB 1.373 38 residues pruned to eliminate duplicates Z: 10 7.911 2.013 0.429 0.583 0.778 0.556 CB 1.088 10 residues pruned to eliminate duplicates Z: 44 24.906 2.019 0.660 0.530 0.860 0.581 CB 1.279 44 residues pruned to eliminate duplicates Z: 18 18.414 2.096 0.793 0.458 0.941 0.529 CB 1.318 18 residues pruned to eliminate duplicates Z: 51 27.105 2.061 0.642 0.483 0.880 0.620 CB 1.310 51 residues pruned to eliminate duplicates Z: 24 21.887 2.065 0.685 0.636 0.957 0.652 CB 1.207 24 residues pruned to eliminate duplicates Z: 42 30.605 2.088 0.779 0.530 0.927 0.659 CB 1.347 42 residues pruned to eliminate duplicates Z: 49 33.578 2.115 0.751 0.527 0.917 0.667 CB 1.391 49 residues pruned to eliminate duplicates Z: 35 27.701 2.102 0.771 0.524 0.912 0.618 CB 1.367 35 residues pruned to eliminate duplicates Z: 24 18.771 1.935 0.619 0.526 0.870 0.652 CB 1.401 24 residues pruned to eliminate duplicates Z: 41 29.349 1.995 0.785 0.573 0.950 0.575 CB 1.279 41 residues pruned to eliminate duplicates Z: 40 33.988 2.129 0.987 0.528 0.923 0.641 CB 1.356 40 residues pruned to eliminate duplicates Z: 40 23.816 2.020 0.651 0.505 0.949 0.590 CB 1.199 40 residues pruned to eliminate duplicates Z: 38 32.760 2.176 0.771 0.557 0.946 0.649 CB 1.398 38 residues pruned to eliminate duplicates Z: 43 25.312 2.045 0.622 0.514 0.905 0.619 CB 1.284 43 residues pruned to eliminate duplicates Z: 37 25.538 2.003 0.648 0.577 0.917 0.667 CB 1.306 37 residues pruned to eliminate duplicates Z: 51 34.148 2.084 0.747 0.528 0.940 0.680 CB 1.373 51 residues pruned to eliminate duplicates Z: 33 22.657 1.996 0.587 0.530 0.969 0.719 CB 1.267 33 residues pruned to eliminate duplicates Z: 39 30.209 2.015 0.799 0.570 0.974 0.632 CB 1.298 39 residues pruned to eliminate duplicates Z: 25 19.925 1.878 0.647 0.532 0.958 0.750 CB 1.330 25 residues pruned to eliminate duplicates Z: 25 21.722 1.923 0.797 0.598 0.875 0.750 CB 1.336 25 residues pruned to eliminate duplicates Z: 31 20.273 1.917 0.601 0.494 0.900 0.733 CB 1.347 31 residues pruned to eliminate duplicates Z: 102 55.069 2.218 0.837 0.510 0.921 0.614 CB 1.447 102 residues pruned to eliminate duplicates Z: 44 30.901 2.014 0.716 0.519 0.977 0.581 CB 1.371 44 residues pruned to eliminate duplicates Z: 43 26.995 2.022 0.704 0.508 0.952 0.619 CB 1.260 43 residues pruned to eliminate duplicates Z: 24 21.372 1.931 0.587 0.525 0.913 0.696 CB 1.554 24 residues pruned to eliminate duplicates Z: 25 23.951 1.980 0.755 0.583 0.917 0.833 CB 1.417 25 residues pruned to eliminate duplicates Z: 46 32.022 2.075 0.833 0.509 0.911 0.600 CB 1.365 46 residues pruned to eliminate duplicates Z: 40 26.888 2.007 0.752 0.564 0.949 0.641 CB 1.213 40 residues pruned to eliminate duplicates Z: 58 36.289 2.084 0.765 0.517 0.930 0.544 CB 1.383 58 residues pruned to eliminate duplicates Z: 69 31.774 2.033 0.670 0.449 0.897 0.574 CB 1.333 69 residues pruned to eliminate duplicates Z: 45 29.742 2.078 0.695 0.489 0.977 0.727 CB 1.317 51 residues pruned to eliminate duplicates Z: 17 17.733 2.331 0.379 0.443 0.938 0.625 CB 1.560 17 residues pruned to eliminate duplicates Z: 28 15.565 2.220 0.366 0.383 0.815 0.556 CB 1.372 28 residues pruned to eliminate duplicates Z: 23 15.169 2.285 0.472 0.359 0.864 0.455 CB 1.295 23 residues pruned to eliminate duplicates Z: 13 8.746 2.064 0.507 0.369 0.750 0.417 CB 1.245 13 residues pruned to eliminate duplicates Z: 81 44.178 2.264 0.644 0.458 0.887 0.512 CB 1.561 81 residues pruned to eliminate duplicates Z: 48 37.262 2.347 0.764 0.495 0.872 0.553 CB 1.513 48 residues pruned to eliminate duplicates Z: 19 14.877 2.232 0.508 0.424 0.889 0.556 CB 1.269 19 residues pruned to eliminate duplicates Z: 50 35.328 2.306 0.686 0.459 0.918 0.510 CB 1.474 50 residues pruned to eliminate duplicates Z: 17 16.821 2.379 0.420 0.411 0.875 0.688 CB 1.561 17 residues pruned to eliminate duplicates Z: 27 14.706 2.129 0.468 0.327 0.885 0.462 CB 1.262 27 residues pruned to eliminate duplicates Z: 12 11.288 2.281 0.575 0.351 0.909 0.545 CB 1.225 12 residues pruned to eliminate duplicates Z: 19 14.385 2.218 0.450 0.383 0.944 0.444 CB 1.264 19 residues pruned to eliminate duplicates Z: 24 15.852 2.274 0.533 0.374 0.826 0.652 CB 1.313 24 residues pruned to eliminate duplicates Z: 36 21.309 2.102 0.812 0.312 0.857 0.457 CB 1.359 36 residues pruned to eliminate duplicates Z: 74 44.662 2.340 0.737 0.465 0.890 0.575 CB 1.497 74 residues pruned to eliminate duplicates Z: 18 11.126 2.043 0.379 0.313 0.882 0.588 CB 1.336 18 residues pruned to eliminate duplicates Z: 44 31.247 2.327 0.676 0.458 0.860 0.535 CB 1.481 44 residues pruned to eliminate duplicates Z: 58 38.911 2.324 0.837 0.429 0.877 0.544 CB 1.482 58 residues pruned to eliminate duplicates Z: 36 19.447 2.261 0.597 0.366 0.714 0.571 CB 1.472 36 residues pruned to eliminate duplicates Z: 24 14.905 2.177 0.525 0.378 0.826 0.478 CB 1.291 24 residues pruned to eliminate duplicates Z: 50 26.587 2.249 0.537 0.414 0.816 0.551 CB 1.471 50 residues pruned to eliminate duplicates Z: 96 44.909 2.211 0.744 0.473 0.884 0.589 CB 1.389 96 residues pruned to eliminate duplicates Z: 100 51.904 2.224 0.784 0.485 0.899 0.535 CB 1.484 100 residues pruned to eliminate duplicates Z: 36 26.380 2.234 0.689 0.438 0.886 0.457 CB 1.422 36 residues pruned to eliminate duplicates Z: 77 46.044 2.280 0.814 0.494 0.855 0.579 CB 1.502 77 residues pruned to eliminate duplicates Z: 77 47.456 2.282 0.739 0.486 0.934 0.553 CB 1.488 77 residues pruned to eliminate duplicates Z: 51 45.435 2.338 0.827 0.515 0.920 0.500 CB 1.611 51 residues pruned to eliminate duplicates Z: 62 49.372 2.357 0.927 0.498 0.918 0.574 CB 1.519 62 residues pruned to eliminate duplicates Z: 77 49.845 2.309 0.808 0.470 0.908 0.513 CB 1.554 77 residues pruned to eliminate duplicates Z: 12 17.151 2.233 0.754 0.504 0.818 0.455 CB 1.608 12 residues pruned to eliminate duplicates Z: 74 42.106 2.331 0.753 0.476 0.808 0.575 CB 1.529 74 residues pruned to eliminate duplicates Z: 88 51.976 2.285 0.834 0.499 0.885 0.621 CB 1.504 88 residues pruned to eliminate duplicates Z: 37 28.301 2.227 0.825 0.505 0.861 0.611 CB 1.340 37 residues pruned to eliminate duplicates Z: 102 54.085 2.261 0.798 0.457 0.941 0.554 CB 1.471 102 residues pruned to eliminate duplicates Z: 83 49.871 2.285 0.837 0.495 0.915 0.561 CB 1.441 83 residues pruned to eliminate duplicates Z: 82 44.940 2.255 0.713 0.470 0.877 0.469 CB 1.521 82 residues pruned to eliminate duplicates Z: 71 41.965 2.289 0.699 0.494 0.886 0.471 CB 1.465 71 residues pruned to eliminate duplicates Z: 65 52.937 2.275 0.858 0.560 0.922 0.594 CB 1.601 65 residues pruned to eliminate duplicates Z: 90 46.173 2.226 0.749 0.491 0.865 0.539 CB 1.466 90 residues pruned to eliminate duplicates Z: 88 43.376 2.256 0.665 0.469 0.897 0.540 CB 1.425 88 residues pruned to eliminate duplicates Z: 48 36.231 2.322 0.793 0.508 0.872 0.638 CB 1.443 48 residues pruned to eliminate duplicates Z: 81 47.444 2.266 0.798 0.492 0.863 0.575 CB 1.522 81 residues pruned to eliminate duplicates Z: 75 52.756 2.331 0.877 0.503 0.919 0.595 CB 1.520 75 residues pruned to eliminate duplicates Z: 69 45.432 2.260 0.819 0.476 0.868 0.559 CB 1.583 69 residues pruned to eliminate duplicates Z: 60 44.260 2.302 0.830 0.450 0.932 0.610 CB 1.544 60 residues pruned to eliminate duplicates Z: 89 50.088 2.247 0.786 0.494 0.909 0.568 CB 1.473 89 residues pruned to eliminate duplicates Z: 88 48.542 2.312 0.776 0.494 0.874 0.586 CB 1.459 88 residues pruned to eliminate duplicates Z: 74 48.714 2.349 0.800 0.488 0.904 0.575 CB 1.510 74 residues pruned to eliminate duplicates Z: 80 48.668 2.274 0.867 0.490 0.899 0.570 CB 1.450 80 residues pruned to eliminate duplicates Z: 80 49.101 2.250 0.829 0.521 0.899 0.620 CB 1.462 80 residues pruned to eliminate duplicates Z: 80 37.098 2.255 0.709 0.459 0.785 0.506 CB 1.439 80 residues pruned to eliminate duplicates Z: 63 44.144 2.274 0.901 0.502 0.839 0.548 CB 1.543 63 residues pruned to eliminate duplicates Z: 76 51.288 2.258 0.867 0.506 0.920 0.640 CB 1.518 76 residues pruned to eliminate duplicates Z: 81 40.941 2.224 0.828 0.435 0.850 0.550 CB 1.417 81 residues pruned to eliminate duplicates Z: 81 44.840 2.314 0.818 0.479 0.850 0.538 CB 1.432 81 residues pruned to eliminate duplicates Z: 65 52.016 2.321 0.920 0.558 0.875 0.578 CB 1.575 65 residues pruned to eliminate duplicates Z: 64 50.889 2.311 0.934 0.538 0.889 0.571 CB 1.555 64 residues pruned to eliminate duplicates Z: 75 50.528 2.317 0.846 0.501 0.905 0.554 CB 1.515 75 residues pruned to eliminate duplicates Z: 107 49.926 2.157 0.785 0.470 0.887 0.538 CB 1.464 107 residues pruned to eliminate duplicates Z: 23 16.948 1.973 0.430 0.452 0.818 0.545 CA 1.644 23 residues pruned to eliminate duplicates Z: 21 15.815 2.041 0.497 0.416 0.800 0.500 CB 1.579 21 residues pruned to eliminate duplicates Z: 70 48.082 2.251 0.827 0.531 0.913 0.536 CB 1.496 70 residues pruned to eliminate duplicates Z: 80 46.073 2.266 0.772 0.480 0.899 0.557 CB 1.467 80 residues pruned to eliminate duplicates Z: 89 49.979 2.259 0.811 0.463 0.898 0.523 CB 1.508 89 residues pruned to eliminate duplicates Z: 75 52.783 2.324 0.931 0.475 0.905 0.595 CB 1.548 75 residues pruned to eliminate duplicates Z: 81 42.298 2.222 0.719 0.469 0.863 0.538 CB 1.481 81 residues pruned to eliminate duplicates Z: 22 15.315 2.056 0.459 0.417 0.810 0.524 CB 1.501 22 residues pruned to eliminate duplicates Z: 80 53.562 2.271 0.905 0.497 0.886 0.570 CB 1.576 80 residues pruned to eliminate duplicates Z: 87 53.603 2.285 0.812 0.521 0.895 0.581 CB 1.527 87 residues pruned to eliminate duplicates Z: 87 51.966 2.249 0.822 0.506 0.884 0.616 CB 1.538 87 residues pruned to eliminate duplicates Z: 42 42.202 2.227 0.993 0.502 0.927 0.512 CB 1.600 42 residues pruned to eliminate duplicates Z: 86 50.638 2.272 0.871 0.493 0.859 0.541 CB 1.514 86 residues pruned to eliminate duplicates Z: 77 59.200 2.255 0.908 0.582 0.908 0.605 CB 1.606 77 residues pruned to eliminate duplicates Z: 14 19.952 2.098 0.888 0.632 0.846 0.615 CB 1.459 14 residues pruned to eliminate duplicates Z: 87 54.152 2.336 0.870 0.509 0.860 0.593 CB 1.540 87 residues pruned to eliminate duplicates Z: 14 21.080 2.172 0.900 0.665 0.846 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 56 45.468 2.245 0.972 0.536 0.909 0.636 CB 1.471 56 residues pruned to eliminate duplicates Z: 13 21.469 2.222 0.959 0.612 0.833 0.667 CB 1.537 13 residues pruned to eliminate duplicates Z: 14 20.900 2.126 1.061 0.594 0.846 0.462 CB 1.429 14 residues pruned to eliminate duplicates Z: 9 14.439 2.053 0.857 0.615 0.875 0.750 CB 1.373 Z: 8 15.151 2.077 0.503 0.577 1.000 0.714 CB 1.704 10 residues pruned to eliminate duplicates Z: 7 5.927 1.885 0.142 0.278 1.000 0.333 CA 1.446 7 residues pruned to eliminate duplicates Z: 9 3.761 1.695 1.003 0.151 0.500 0.250 CB 1.204 9 residues pruned to eliminate duplicates Z: 28 24.351 2.011 0.758 0.538 0.815 0.593 CB 1.567 35 residues pruned to eliminate duplicates Z: 18 18.440 1.838 0.635 0.614 0.941 0.647 C 1.420 18 residues pruned to eliminate duplicates Z: 16 22.834 1.987 0.636 0.668 0.933 0.600 CB 1.664 16 residues pruned to eliminate duplicates Z: 16 21.834 1.954 0.640 0.640 0.933 0.600 CB 1.653 16 residues pruned to eliminate duplicates Z: 15 25.645 2.017 0.893 0.701 0.929 0.571 CB 1.609 15 residues pruned to eliminate duplicates Z: 14 20.945 2.057 0.620 0.695 0.846 0.692 C 1.724 14 residues pruned to eliminate duplicates Z: 18 16.942 1.987 0.629 0.515 0.824 0.588 CB 1.518 18 residues pruned to eliminate duplicates Z: 18 19.100 1.812 0.704 0.598 0.941 0.765 CA 1.452 18 residues pruned to eliminate duplicates Z: 42 33.880 2.112 0.595 0.569 0.878 0.634 CB 1.674 42 residues pruned to eliminate duplicates Z: 16 21.295 1.977 0.711 0.651 0.933 0.800 CB 1.514 16 residues pruned to eliminate duplicates Z: 38 31.302 2.052 0.775 0.552 0.838 0.622 CB 1.602 38 residues pruned to eliminate duplicates Z: 91 52.311 2.227 0.706 0.498 0.933 0.567 CB 1.559 91 residues pruned to eliminate duplicates Z: 15 19.300 1.926 0.769 0.569 0.929 0.643 CB 1.526 15 residues pruned to eliminate duplicates Z: 25 27.685 2.032 0.889 0.562 0.875 0.625 CB 1.584 25 residues pruned to eliminate duplicates Z: 90 55.438 2.275 0.735 0.489 0.933 0.607 CB 1.614 90 residues pruned to eliminate duplicates Z: 66 38.533 2.176 0.651 0.480 0.831 0.569 CB 1.634 66 residues pruned to eliminate duplicates Z: 60 30.887 2.135 0.759 0.388 0.797 0.576 CB 1.515 60 residues pruned to eliminate duplicates Z: 79 44.445 2.197 0.644 0.496 0.923 0.564 CB 1.515 79 residues pruned to eliminate duplicates Z: 33 24.803 2.203 0.489 0.477 0.844 0.594 CB 1.621 33 residues pruned to eliminate duplicates Z: 24 26.451 2.259 0.524 0.551 0.913 0.696 CB 1.668 24 residues pruned to eliminate duplicates Z: 28 22.382 2.113 0.489 0.505 0.852 0.630 CB 1.599 28 residues pruned to eliminate duplicates Z: 27 22.933 2.116 0.557 0.517 0.846 0.615 CB 1.587 27 residues pruned to eliminate duplicates Z: 49 32.904 2.126 0.714 0.447 0.875 0.562 CB 1.574 49 residues pruned to eliminate duplicates Z: 41 37.533 2.288 0.617 0.541 0.925 0.600 CA 1.665 41 residues pruned to eliminate duplicates Z: 42 32.581 2.104 0.630 0.543 0.878 0.683 CB 1.620 42 residues pruned to eliminate duplicates Z: 40 37.343 2.283 0.687 0.542 0.923 0.615 CB 1.614 40 residues pruned to eliminate duplicates Z: 61 40.777 2.230 0.591 0.493 0.950 0.583 CB 1.574 61 residues pruned to eliminate duplicates Z: 86 50.135 2.276 0.711 0.461 0.918 0.565 CB 1.582 86 residues pruned to eliminate duplicates Z: 73 44.658 2.237 0.585 0.508 0.931 0.569 CB 1.582 73 residues pruned to eliminate duplicates Z: 32 28.842 2.146 0.670 0.478 0.871 0.645 CB 1.696 32 residues pruned to eliminate duplicates Z: 27 26.645 2.207 0.704 0.529 0.846 0.577 CB 1.596 27 residues pruned to eliminate duplicates Z: 27 30.160 2.211 0.762 0.575 0.923 0.731 CB 1.530 27 residues pruned to eliminate duplicates Z: 80 48.559 2.266 0.625 0.480 0.937 0.595 CB 1.616 80 residues pruned to eliminate duplicates Z: 27 25.199 2.194 0.558 0.504 0.885 0.538 CB 1.627 27 residues pruned to eliminate duplicates Z: 42 33.592 2.233 0.606 0.510 0.902 0.610 CB 1.605 42 residues pruned to eliminate duplicates Z: 91 57.758 2.271 0.745 0.521 0.933 0.589 CB 1.612 91 residues pruned to eliminate duplicates Z: 39 42.697 2.341 0.774 0.538 0.921 0.632 CB 1.744 39 residues pruned to eliminate duplicates Z: 72 44.771 2.250 0.666 0.493 0.901 0.592 CB 1.583 72 residues pruned to eliminate duplicates Z: 77 51.538 2.305 0.622 0.489 0.961 0.579 CB 1.665 77 residues pruned to eliminate duplicates Z: 38 31.776 2.318 0.592 0.438 0.919 0.595 CB 1.642 38 residues pruned to eliminate duplicates Z: 57 37.887 2.303 0.536 0.488 0.911 0.589 CB 1.591 57 residues pruned to eliminate duplicates Z: 69 47.762 2.333 0.720 0.496 0.868 0.647 CB 1.669 69 residues pruned to eliminate duplicates Z: 21 21.035 2.254 0.554 0.436 0.950 0.450 CA 1.510 21 residues pruned to eliminate duplicates Z: 60 47.134 2.304 0.690 0.524 0.915 0.644 CB 1.681 60 residues pruned to eliminate duplicates Z: 54 35.075 2.213 0.590 0.475 0.868 0.566 CB 1.617 54 residues pruned to eliminate duplicates Z: 41 35.240 2.289 0.612 0.458 0.975 0.575 CB 1.615 41 residues pruned to eliminate duplicates Z: 77 53.008 2.316 0.677 0.505 0.934 0.618 CB 1.666 77 residues pruned to eliminate duplicates Z: 81 49.265 2.220 0.733 0.472 0.925 0.538 CB 1.592 81 residues pruned to eliminate duplicates Z: 50 41.066 2.325 0.669 0.488 0.939 0.571 CB 1.631 50 residues pruned to eliminate duplicates Z: 37 33.081 2.249 0.668 0.461 0.944 0.472 CB 1.619 37 residues pruned to eliminate duplicates Z: 18 23.393 2.349 0.610 0.470 0.882 0.412 CB 1.753 18 residues pruned to eliminate duplicates Z: 79 50.276 2.257 0.655 0.496 0.936 0.615 CB 1.635 79 residues pruned to eliminate duplicates Z: 35 27.600 2.247 0.598 0.432 0.882 0.588 CA 1.603 35 residues pruned to eliminate duplicates Z: 78 50.841 2.292 0.666 0.478 0.935 0.571 CB 1.659 78 residues pruned to eliminate duplicates Z: 55 40.736 2.269 0.665 0.508 0.907 0.593 CB 1.603 55 residues pruned to eliminate duplicates Z: 35 30.337 2.300 0.520 0.444 0.971 0.471 CB 1.625 35 residues pruned to eliminate duplicates Z: 55 44.655 2.318 0.747 0.468 0.926 0.574 CB 1.674 55 residues pruned to eliminate duplicates Z: 56 45.170 2.331 0.735 0.466 0.927 0.545 CB 1.682 56 residues pruned to eliminate duplicates Z: 73 50.395 2.306 0.712 0.478 0.917 0.611 CB 1.679 73 residues pruned to eliminate duplicates Z: 54 43.958 2.299 0.662 0.516 0.943 0.660 CB 1.648 54 residues pruned to eliminate duplicates Z: 21 22.687 2.233 0.658 0.431 0.950 0.550 CB 1.549 21 residues pruned to eliminate duplicates Z: 25 19.551 2.184 0.484 0.336 0.917 0.458 CB 1.606 25 residues pruned to eliminate duplicates Z: 30 17.353 1.993 0.542 0.275 0.931 0.552 CB 1.454 30 residues pruned to eliminate duplicates Z: 41 31.390 2.278 0.463 0.410 0.975 0.575 CB 1.679 41 residues pruned to eliminate duplicates Z: 17 13.300 2.112 0.307 0.385 0.938 0.438 CB 1.453 17 residues pruned to eliminate duplicates Z: 62 41.009 2.252 0.528 0.471 0.934 0.557 CB 1.682 62 residues pruned to eliminate duplicates Z: 18 12.584 2.045 0.454 0.316 0.824 0.412 CB 1.527 18 residues pruned to eliminate duplicates Z: 18 7.537 1.828 0.356 0.213 0.765 0.412 CB 1.353 18 residues pruned to eliminate duplicates Z: 62 43.283 2.301 0.639 0.485 0.918 0.623 CB 1.624 62 residues pruned to eliminate duplicates Z: 179 74.454 2.261 0.777 0.484 0.916 0.567 CB 1.540 179 residues pruned to eliminate duplicates Z: 107 62.486 2.280 0.783 0.498 0.915 0.613 CB 1.634 107 residues pruned to eliminate duplicates Z: 56 43.281 2.331 0.630 0.449 0.964 0.509 CB 1.679 56 residues pruned to eliminate duplicates Z: 78 46.849 2.283 0.630 0.492 0.909 0.610 CB 1.591 78 residues pruned to eliminate duplicates Z: 55 45.532 2.386 0.625 0.473 0.963 0.593 CB 1.705 55 residues pruned to eliminate duplicates Z: 123 63.662 2.305 0.740 0.472 0.926 0.574 CB 1.597 130 residues pruned to eliminate duplicates Z: 7 3.921 1.678 0.622 0.400 0.833 0.500 CB 0.784 Z: 6 5.975 1.970 0.927 0.168 0.800 0.400 CA 1.317 13 residues pruned to eliminate duplicates Z: 71 50.038 2.349 0.650 0.472 0.929 0.557 CB 1.709 71 residues pruned to eliminate duplicates Z: 93 51.541 2.219 0.698 0.473 0.924 0.587 CB 1.586 73 residues pruned to eliminate duplicates Z: 7 5.627 1.783 0.674 0.272 0.833 0.500 CB 1.196 Z: 8 8.685 2.075 0.806 0.290 0.857 0.571 CB 1.293 15 residues pruned to eliminate duplicates Z: 20 30.651 2.328 1.009 0.542 0.895 0.632 CB 1.612 20 residues pruned to eliminate duplicates Z: 51 31.363 2.271 0.714 0.415 0.820 0.500 CB 1.519 51 residues pruned to eliminate duplicates Z: 54 48.745 2.383 0.704 0.487 0.981 0.585 CB 1.703 54 residues pruned to eliminate duplicates Z: 71 49.495 2.308 0.723 0.466 0.929 0.586 CB 1.659 71 residues pruned to eliminate duplicates Z: 81 52.173 2.217 0.807 0.473 0.938 0.600 CB 1.597 81 residues pruned to eliminate duplicates Z: 19 39.610 2.495 0.938 0.570 1.000 0.778 CB 1.805 19 residues pruned to eliminate duplicates Z: 94 55.424 2.296 0.725 0.495 0.903 0.602 CB 1.615 94 residues pruned to eliminate duplicates Z: 18 27.194 2.304 1.154 0.470 0.882 0.647 CA 1.553 18 residues pruned to eliminate duplicates Z: 12 16.933 2.282 1.015 0.400 0.818 0.545 CB 1.508 12 residues pruned to eliminate duplicates Z: 17 28.808 2.386 1.195 0.483 0.875 0.625 CB 1.598 17 residues pruned to eliminate duplicates Z: 13 19.526 2.167 0.921 0.427 0.917 0.500 CB 1.594 13 residues pruned to eliminate duplicates Z: 18 13.448 2.020 0.921 0.451 0.706 0.529 CB 1.253 18 residues pruned to eliminate duplicates Z: 71 47.472 2.289 0.767 0.431 0.957 0.486 CB 1.574 71 residues pruned to eliminate duplicates Z: 21 26.087 2.256 1.094 0.442 0.900 0.450 CB 1.457 21 residues pruned to eliminate duplicates Z: 19 31.222 2.215 1.341 0.498 0.944 0.500 CB 1.506 19 residues pruned to eliminate duplicates Z: 19 35.259 2.372 1.224 0.519 0.944 0.556 CB 1.637 19 residues pruned to eliminate duplicates Z: 18 29.518 2.310 1.201 0.488 0.882 0.588 CA 1.615 18 residues pruned to eliminate duplicates Z: 20 34.118 2.275 1.330 0.549 0.895 0.632 CB 1.574 20 residues pruned to eliminate duplicates Z: 20 23.018 2.196 0.877 0.458 0.842 0.526 CB 1.588 20 residues pruned to eliminate duplicates Z: 14 11.130 1.965 0.788 0.443 0.846 0.385 CB 1.101 14 residues pruned to eliminate duplicates Z: 11 13.493 2.051 0.805 0.550 0.800 0.500 CB 1.372 11 residues pruned to eliminate duplicates Z: 71 47.799 2.287 0.723 0.469 0.929 0.557 CB 1.611 71 residues pruned to eliminate duplicates Z: 12 8.113 1.786 0.362 0.528 0.909 0.636 CB 1.076 12 residues pruned to eliminate duplicates Z: 13 7.162 1.773 0.354 0.503 0.833 0.750 CB 1.030 13 residues pruned to eliminate duplicates Z: 24 13.352 1.913 0.586 0.398 0.826 0.478 CB 1.237 24 residues pruned to eliminate duplicates Z: 6 6.900 2.017 0.769 0.297 0.800 0.600 CA 1.357 6 residues pruned to eliminate duplicates Z: 60 43.818 2.288 0.781 0.476 0.932 0.576 CB 1.538 60 residues pruned to eliminate duplicates Z: 8 3.694 1.946 0.918 0.209 0.429 0.143 CB 1.231 8 residues pruned to eliminate duplicates Z: 11 11.982 2.249 0.480 0.394 0.900 0.500 CB 1.415 11 residues pruned to eliminate duplicates Z: 17 15.268 2.204 0.586 0.357 0.938 0.375 CB 1.359 17 residues pruned to eliminate duplicates Z: 76 39.622 2.227 0.711 0.455 0.907 0.613 CB 1.386 76 residues pruned to eliminate duplicates Z: 59 36.916 2.298 0.783 0.482 0.828 0.603 CB 1.457 59 residues pruned to eliminate duplicates Z: 9 6.297 2.096 0.654 0.342 0.750 0.250 CB 1.017 9 residues pruned to eliminate duplicates Z: 58 44.135 2.314 0.924 0.492 0.912 0.614 CB 1.450 58 residues pruned to eliminate duplicates Z: 58 40.863 2.316 0.750 0.509 0.877 0.579 CB 1.509 58 residues pruned to eliminate duplicates Z: 56 42.308 2.274 0.902 0.474 0.891 0.545 CB 1.520 56 residues pruned to eliminate duplicates Z: 58 39.880 2.282 0.981 0.442 0.860 0.526 CB 1.443 58 residues pruned to eliminate duplicates Z: 58 39.687 2.316 0.794 0.463 0.895 0.474 CB 1.468 58 residues pruned to eliminate duplicates Z: 59 39.347 2.248 0.976 0.462 0.897 0.638 CB 1.348 59 residues pruned to eliminate duplicates Z: 79 41.709 2.252 0.758 0.462 0.846 0.590 CB 1.465 79 residues pruned to eliminate duplicates Z: 52 41.233 2.331 0.997 0.496 0.843 0.627 CB 1.478 52 residues pruned to eliminate duplicates Z: 57 40.460 2.305 0.840 0.452 0.893 0.518 CB 1.500 57 residues pruned to eliminate duplicates Z: 59 39.937 2.320 0.818 0.481 0.862 0.552 CB 1.470 59 residues pruned to eliminate duplicates Z: 78 43.363 2.223 0.771 0.475 0.883 0.584 CB 1.457 78 residues pruned to eliminate duplicates Z: 59 44.592 2.304 0.982 0.480 0.897 0.534 CB 1.460 59 residues pruned to eliminate duplicates Z: 19 17.760 2.206 0.934 0.335 0.889 0.500 CB 1.323 19 residues pruned to eliminate duplicates Z: 53 45.876 2.353 0.938 0.497 0.942 0.615 CB 1.486 53 residues pruned to eliminate duplicates Z: 52 43.782 2.341 0.932 0.515 0.902 0.588 CB 1.481 52 residues pruned to eliminate duplicates Z: 65 36.964 2.236 0.766 0.423 0.859 0.594 CB 1.475 65 residues pruned to eliminate duplicates Z: 56 49.798 2.358 0.907 0.509 0.945 0.564 CB 1.565 56 residues pruned to eliminate duplicates Z: 58 41.351 2.293 0.937 0.462 0.912 0.596 CB 1.405 58 residues pruned to eliminate duplicates Z: 38 38.381 2.289 0.893 0.547 0.892 0.676 CB 1.559 38 residues pruned to eliminate duplicates Z: 81 36.950 2.192 0.734 0.472 0.825 0.562 CB 1.355 81 residues pruned to eliminate duplicates Z: 70 47.700 2.302 0.826 0.491 0.942 0.565 CB 1.463 77 residues pruned to eliminate duplicates Z: 6 3.774 2.098 0.275 0.280 0.800 0.400 CA 1.012 6 residues pruned to eliminate duplicates Z: 54 42.787 2.317 0.864 0.491 0.906 0.604 CB 1.516 54 residues pruned to eliminate duplicates Z: 25 39.555 2.329 1.099 0.583 0.875 0.708 CB 1.743 25 residues pruned to eliminate duplicates Z: 53 42.140 2.351 0.890 0.489 0.885 0.538 CB 1.504 53 residues pruned to eliminate duplicates Z: 65 42.724 2.298 0.935 0.453 0.875 0.656 CB 1.440 65 residues pruned to eliminate duplicates Z: 20 20.670 1.945 0.785 0.376 1.000 0.316 CA 1.559 20 residues pruned to eliminate duplicates Z: 59 42.467 2.296 0.876 0.508 0.897 0.586 CB 1.432 59 residues pruned to eliminate duplicates Z: 21 23.949 2.145 0.911 0.503 0.850 0.450 CB 1.533 21 residues pruned to eliminate duplicates Z: 26 31.065 2.210 1.012 0.496 0.880 0.480 CB 1.594 26 residues pruned to eliminate duplicates Z: 48 34.269 2.308 0.888 0.490 0.851 0.574 CB 1.361 48 residues pruned to eliminate duplicates Z: 24 35.209 2.277 1.003 0.576 0.913 0.696 CB 1.639 24 residues pruned to eliminate duplicates Z: 28 40.308 2.356 1.148 0.558 0.926 0.667 CB 1.565 28 residues pruned to eliminate duplicates Z: 57 39.076 2.290 0.893 0.473 0.839 0.607 CB 1.474 57 residues pruned to eliminate duplicates Z: 64 40.961 2.281 0.902 0.436 0.873 0.587 CB 1.455 64 residues pruned to eliminate duplicates Z: 68 40.533 2.274 0.825 0.458 0.866 0.582 CB 1.440 68 residues pruned to eliminate duplicates Z: 13 17.972 2.136 0.918 0.512 0.833 0.500 CB 1.502 13 residues pruned to eliminate duplicates Z: 19 23.751 2.209 0.974 0.456 0.944 0.722 CB 1.423 19 residues pruned to eliminate duplicates Z: 34 35.893 2.350 0.854 0.570 0.848 0.758 CB 1.580 34 residues pruned to eliminate duplicates Z: 50 49.487 2.351 1.011 0.540 0.959 0.714 CB 1.499 50 residues pruned to eliminate duplicates Z: 60 46.323 2.345 0.922 0.506 0.898 0.695 CB 1.481 60 residues pruned to eliminate duplicates Z: 72 43.769 2.275 0.800 0.497 0.887 0.648 CB 1.434 72 residues pruned to eliminate duplicates Z: 9 14.442 2.091 0.832 0.627 0.875 0.750 CB 1.351 9 residues pruned to eliminate duplicates Z: 28 34.229 2.335 0.954 0.573 0.889 0.704 CB 1.514 28 residues pruned to eliminate duplicates Z: 13 12.929 2.168 0.484 0.410 0.917 0.583 CB 1.389 13 residues pruned to eliminate duplicates Z: 14 12.958 2.137 0.718 0.364 0.846 0.538 CB 1.338 14 residues pruned to eliminate duplicates Z: 31 21.430 2.040 0.904 0.368 0.833 0.500 CB 1.392 31 residues pruned to eliminate duplicates Z: 17 15.037 2.162 0.505 0.455 0.875 0.688 CB 1.382 17 residues pruned to eliminate duplicates Z: 11 6.429 1.995 0.631 0.317 0.700 0.600 CB 1.092 11 residues pruned to eliminate duplicates Z: 26 19.147 2.081 0.532 0.531 0.920 0.720 CB 1.267 18 residues pruned to eliminate duplicates Z: 6 5.500 1.793 0.917 0.422 0.800 0.400 CA 0.970 Z: 6 5.258 1.701 0.298 0.445 1.000 0.800 CB 1.126 12 residues pruned to eliminate duplicates Z: 33 19.397 2.050 0.514 0.493 0.875 0.750 CB 1.271 33 residues pruned to eliminate duplicates Z: 23 14.538 1.910 0.366 0.413 0.864 0.545 CB 1.508 29 residues pruned to eliminate duplicates Z: 28 16.675 2.011 0.465 0.460 0.889 0.593 CB 1.276 28 residues pruned to eliminate duplicates Z: 64 38.147 2.164 0.725 0.524 0.857 0.635 CB 1.467 64 residues pruned to eliminate duplicates Z: 43 24.744 2.088 0.697 0.481 0.881 0.619 CB 1.247 43 residues pruned to eliminate duplicates Z: 77 49.047 2.283 0.865 0.497 0.895 0.645 CB 1.482 77 residues pruned to eliminate duplicates Z: 23 17.672 2.081 0.632 0.443 0.864 0.682 CB 1.363 23 residues pruned to eliminate duplicates Z: 78 39.966 2.216 0.707 0.479 0.870 0.584 CB 1.414 78 residues pruned to eliminate duplicates Z: 19 13.701 1.976 0.642 0.508 0.833 0.722 CB 1.185 19 residues pruned to eliminate duplicates Z: 6 3.276 1.483 0.937 0.367 1.000 0.800 CA 0.588 6 residues pruned to eliminate duplicates Z: 20 14.537 1.941 0.631 0.421 0.842 0.421 CB 1.357 20 residues pruned to eliminate duplicates Z: 24 19.975 2.128 0.663 0.484 0.913 0.696 CB 1.310 24 residues pruned to eliminate duplicates Z: 21 16.517 1.998 0.698 0.452 0.850 0.700 CB 1.345 21 residues pruned to eliminate duplicates Z: 24 25.037 2.151 0.969 0.537 0.913 0.739 CB 1.303 24 residues pruned to eliminate duplicates Z: 27 20.153 2.104 0.789 0.524 0.846 0.654 CB 1.212 27 residues pruned to eliminate duplicates Z: 15 11.513 1.816 0.712 0.464 0.857 0.500 CA 1.198 15 residues pruned to eliminate duplicates Z: 15 12.168 1.956 0.619 0.449 0.857 0.571 CB 1.262 15 residues pruned to eliminate duplicates Z: 8 3.044 1.833 0.234 0.162 0.857 0.286 CB 0.896 8 residues pruned to eliminate duplicates Z: 34 19.502 1.943 0.812 0.420 0.909 0.545 CB 1.152 34 residues pruned to eliminate duplicates Z: 18 11.174 1.888 0.585 0.324 0.882 0.353 CB 1.246 18 residues pruned to eliminate duplicates Z: 11 8.866 1.793 0.466 0.633 0.900 0.800 CB 1.046 11 residues pruned to eliminate duplicates Z: 6 2.550 1.225 0.754 0.269 0.800 0.600 C 0.862 6 residues pruned to eliminate duplicates Z: 6 7.471 1.872 0.551 0.536 1.000 0.600 CB 1.111 6 residues pruned to eliminate duplicates Z: 26 17.445 2.045 0.479 0.404 0.920 0.600 CB 1.386 26 residues pruned to eliminate duplicates 440 residues left after pruning, divided into chains as follows: A: 6 B: 13 C: 6 D: 98 E: 11 F: 152 G: 9 H: 145 CC for partial structure against native data = 36.70 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.452, Connect. = 0.703 for dens.mod. cycle 1 = 0.301, Contrast = 0.518, Connect. = 0.732 for dens.mod. cycle 2 = 0.301, Contrast = 0.622, Connect. = 0.772 for dens.mod. cycle 3 = 0.301, Contrast = 0.626, Connect. = 0.773 for dens.mod. cycle 4 = 0.301, Contrast = 0.637, Connect. = 0.776 for dens.mod. cycle 5 = 0.301, Contrast = 0.641, Connect. = 0.778 for dens.mod. cycle 6 = 0.301, Contrast = 0.646, Connect. = 0.780 for dens.mod. cycle 7 = 0.301, Contrast = 0.649, Connect. = 0.782 for dens.mod. cycle 8 = 0.301, Contrast = 0.651, Connect. = 0.782 for dens.mod. cycle 9 = 0.301, Contrast = 0.652, Connect. = 0.783 for dens.mod. cycle 10 TimeTaking 242.15