++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:23:04 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: ./2a2m-1.9-parrot-hancs/2a2m-1.9-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2a2m-1.9-parrot-hancs/2a2m-1.9-parrot-hancs.ins Phases from ./2a2m-1.9-parrot-hancs/2a2m-1.9-parrot-hancs.phi Native data from ./2a2m-1.9-parrot-hancs/2a2m-1.9-parrot-hancs.hkl Listing output to ./2a2m-1.9-parrot-hancs/2a2m-1.9-parrot-hancs.lst Phases output to ./2a2m-1.9-parrot-hancs/2a2m-1.9-parrot-hancs.phs Poly-Ala trace output to ./2a2m-1.9-parrot-hancs/2a2m-1.9-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: F 4 3 2 Allowed origin shift code: 14 74704 Reflections read from file ./2a2m-1.9-parrot-hancs/2a2m-1.9-parrot-hancs.phi 74704 Reflections read from file ./2a2m-1.9-parrot-hancs/2a2m-1.9-parrot-hancs.hkl 74704 Unique data, highest resolution = 1.880 Angstroms Anisotropic scaling: intensities multiplied by 0.000000h^2 +0.000000k^2 +0.000000l^2 +0.000000kl +0.000000hl +0.000000hk 74 Reflections with d > 2.080 and 0 in range 2.080 > d > 1.880 added Density sharpening factor set to 0.93 Fourier grid = 512 x 512 x 129 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|> = 0.721 = 0.300, Contrast = 0.611, Connect. = 0.733 for dens.mod. cycle 1 = 0.300, Contrast = 0.777, Connect. = 0.753 for dens.mod. cycle 2 = 0.300, Contrast = 1.139, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 1.274, Connect. = 0.816 for dens.mod. cycle 4 = 0.300, Contrast = 1.329, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 1.351, Connect. = 0.829 for dens.mod. cycle 6 = 0.300, Contrast = 1.359, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.359, Connect. = 0.835 for dens.mod. cycle 8 = 0.300, Contrast = 1.357, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 1.353, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2785 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 617 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 42.288 2.170 1.281 0.908 1.000 0.615 CA 1.683 B: 23 56.535 2.379 1.249 0.835 1.000 0.636 CB 1.687 C: 10 31.203 2.539 0.963 0.825 0.889 0.889 CB 1.772 D: 13 32.688 2.380 1.104 0.795 0.917 0.500 CA 1.587 13 residues pruned to eliminate duplicates E: 11 21.678 2.356 0.723 0.835 0.800 0.800 CA 1.581 F: 26 69.735 2.460 1.207 0.921 0.960 0.800 CA 1.883 G: 15 57.183 2.546 1.381 0.939 0.929 0.786 CB 1.886 16 residues pruned to eliminate duplicates H: 11 31.733 2.319 1.317 0.910 1.000 0.700 CB 1.324 I: 25 72.460 2.492 1.310 0.901 1.000 0.833 CB 1.834 J: 22 55.950 2.462 1.261 0.876 0.952 0.714 CA 1.674 13 residues pruned to eliminate duplicates K: 22 58.721 2.454 1.213 0.861 1.000 0.714 CA 1.733 22 residues pruned to eliminate duplicates L: 19 58.636 2.344 1.364 0.901 1.000 0.778 CB 1.781 M: 25 71.050 2.534 1.247 0.915 0.958 0.875 CA 1.878 26 residues pruned to eliminate duplicates N: 31 55.973 2.439 1.100 0.913 0.900 0.633 CB 1.569 O: 32 64.506 2.393 1.350 0.909 0.968 0.806 CB 1.511 31 residues pruned to eliminate duplicates P: 16 72.885 2.620 1.756 0.899 0.933 0.533 CB 1.996 16 residues pruned to eliminate duplicates Q: 11 39.330 2.502 1.115 0.789 1.000 0.700 CA 1.824 10 residues pruned to eliminate duplicates R: 25 83.474 2.527 1.487 0.929 1.000 0.500 CB 1.898 25 residues pruned to eliminate duplicates S: 11 42.102 2.350 1.562 0.901 1.000 0.900 CB 1.578 11 residues pruned to eliminate duplicates T: 22 52.191 2.389 1.201 0.842 0.952 0.619 CB 1.695 22 residues pruned to eliminate duplicates U: 26 77.716 2.465 1.411 0.930 0.960 0.520 CA 1.905 25 residues pruned to eliminate duplicates V: 11 27.014 2.318 1.044 0.873 0.900 0.800 CB 1.459 12 residues pruned to eliminate duplicates W: 25 75.357 2.526 1.659 0.888 0.917 0.667 CB 1.800 25 residues pruned to eliminate duplicates X: 10 31.720 2.633 0.623 0.921 1.000 1.000 CB 1.741 10 residues pruned to eliminate duplicates Y: 24 84.221 2.586 1.496 0.944 1.000 0.522 CB 1.884 24 residues pruned to eliminate duplicates Z: 21 55.592 2.499 1.174 0.894 0.900 0.650 CA 1.824 21 residues pruned to eliminate duplicates Z: 21 62.221 2.490 1.232 0.875 1.000 0.800 CA 1.821 22 residues pruned to eliminate duplicates Z: 27 71.463 2.398 1.258 0.922 1.000 0.500 CA 1.821 27 residues pruned to eliminate duplicates Z: 28 64.320 2.460 1.139 0.812 1.000 0.593 CA 1.794 Z: 22 55.636 2.461 1.149 0.878 1.000 0.762 CA 1.666 21 residues pruned to eliminate duplicates Z: 31 55.495 2.409 0.774 0.932 1.000 0.900 CB 1.655 Z: 29 63.825 2.488 1.286 0.942 0.964 0.643 CB 1.525 31 residues pruned to eliminate duplicates Z: 28 56.806 2.344 1.165 0.832 0.963 0.630 CA 1.679 Z: 32 50.094 2.422 0.686 0.905 0.935 0.903 CB 1.677 32 residues pruned to eliminate duplicates Z: 21 61.944 2.513 1.289 0.864 1.000 0.650 CB 1.765 23 residues pruned to eliminate duplicates Z: 11 33.626 2.318 0.978 0.896 1.000 0.900 CB 1.661 11 residues pruned to eliminate duplicates Z: 17 52.736 2.436 1.201 0.910 1.000 0.875 CA 1.743 Z: 15 66.011 2.660 1.374 0.955 1.000 0.857 CB 1.921 16 residues pruned to eliminate duplicates Z: 26 85.560 2.442 1.796 0.942 0.960 0.600 CB 1.811 25 residues pruned to eliminate duplicates Z: 12 42.612 2.459 1.191 0.935 1.000 1.000 CA 1.662 12 residues pruned to eliminate duplicates Z: 26 82.140 2.504 1.561 0.919 0.960 0.640 CB 1.881 26 residues pruned to eliminate duplicates Z: 13 37.499 2.393 0.934 0.915 1.000 1.000 CA 1.653 13 residues pruned to eliminate duplicates Z: 19 58.154 2.387 1.295 0.894 1.000 0.833 CA 1.795 17 residues pruned to eliminate duplicates Z: 21 37.276 2.399 0.770 0.904 0.900 0.850 CB 1.554 21 residues pruned to eliminate duplicates Z: 22 58.583 2.455 1.188 0.866 1.000 0.857 CA 1.743 21 residues pruned to eliminate duplicates Z: 17 44.125 2.370 1.037 0.932 0.938 0.875 CB 1.702 17 residues pruned to eliminate duplicates Z: 22 61.359 2.454 1.278 0.851 1.000 0.667 CA 1.773 22 residues pruned to eliminate duplicates Z: 26 62.526 2.468 1.103 0.911 0.960 0.880 CA 1.779 26 residues pruned to eliminate duplicates Z: 20 57.476 2.268 1.614 0.882 1.000 0.579 CB 1.609 20 residues pruned to eliminate duplicates Z: 11 26.051 2.301 0.917 0.882 1.000 0.900 CB 1.352 11 residues pruned to eliminate duplicates Z: 32 52.079 2.391 0.788 0.914 0.968 0.871 CB 1.598 32 residues pruned to eliminate duplicates Z: 15 45.777 2.482 1.069 0.946 1.000 0.857 CB 1.649 Z: 20 68.294 2.552 1.458 0.885 1.000 0.579 CB 1.803 20 residues pruned to eliminate duplicates Z: 32 63.636 2.388 1.329 0.921 0.968 0.871 CB 1.495 29 residues pruned to eliminate duplicates Z: 33 42.340 2.281 0.687 0.905 0.938 0.875 CB 1.476 33 residues pruned to eliminate duplicates Z: 19 53.441 2.386 1.140 0.921 1.000 0.889 CB 1.737 19 residues pruned to eliminate duplicates Z: 12 26.515 2.272 0.967 0.785 0.909 0.636 CA 1.531 Z: 18 54.589 2.403 1.268 0.921 1.000 0.882 CB 1.710 18 residues pruned to eliminate duplicates Z: 26 38.853 2.275 0.936 0.819 0.840 0.600 CB 1.592 26 residues pruned to eliminate duplicates Z: 184 139.489 2.490 1.123 0.707 0.956 0.667 CB 1.690 136 residues pruned to eliminate duplicates Z: 11 29.512 2.466 0.796 0.782 1.000 0.700 CB 1.644 12 residues pruned to eliminate duplicates Z: 21 56.111 2.416 1.379 0.855 0.950 0.750 CB 1.696 21 residues pruned to eliminate duplicates Z: 31 50.608 2.403 0.712 0.945 0.967 0.900 CB 1.608 31 residues pruned to eliminate duplicates Z: 24 66.135 2.557 0.903 0.925 1.000 0.826 CA 1.988 24 residues pruned to eliminate duplicates Z: 23 58.972 2.349 1.300 0.873 1.000 0.818 CA 1.695 23 residues pruned to eliminate duplicates Z: 25 69.480 2.521 1.126 0.946 0.958 0.875 CA 1.910 25 residues pruned to eliminate duplicates Z: 28 58.499 2.398 0.998 0.935 1.000 0.852 CB 1.638 28 residues pruned to eliminate duplicates Z: 17 44.760 2.447 0.817 0.947 1.000 0.938 CB 1.740 17 residues pruned to eliminate duplicates Z: 18 36.605 2.295 1.001 0.863 1.000 0.706 CB 1.419 Z: 27 53.943 2.298 0.994 0.897 0.962 0.769 CA 1.719 25 residues pruned to eliminate duplicates Z: 25 92.380 2.576 1.690 0.951 0.958 0.833 CB 1.958 26 residues pruned to eliminate duplicates Z: 25 78.117 2.484 1.527 0.942 0.917 0.333 CB 1.921 25 residues pruned to eliminate duplicates Z: 16 46.032 2.529 1.105 0.769 0.933 0.533 CB 1.884 16 residues pruned to eliminate duplicates Z: 30 71.064 2.523 1.339 0.956 0.966 0.759 CB 1.590 32 residues pruned to eliminate duplicates Z: 26 76.222 2.478 1.520 0.898 0.960 0.680 CA 1.820 26 residues pruned to eliminate duplicates Z: 19 59.814 2.398 1.542 0.910 0.944 0.611 CB 1.737 19 residues pruned to eliminate duplicates Z: 19 38.565 2.405 1.028 0.895 0.889 0.833 CB 1.503 19 residues pruned to eliminate duplicates Z: 32 55.486 2.412 0.884 0.888 0.968 0.839 CB 1.632 32 residues pruned to eliminate duplicates Z: 12 18.085 2.140 0.478 0.902 0.909 0.909 CB 1.353 12 residues pruned to eliminate duplicates Z: 28 41.733 2.287 0.903 0.806 0.852 0.667 CB 1.659 28 residues pruned to eliminate duplicates Z: 27 59.414 2.477 1.143 0.821 0.923 0.538 CB 1.801 28 residues pruned to eliminate duplicates Z: 11 32.546 2.410 0.967 0.779 1.000 0.800 CB 1.697 11 residues pruned to eliminate duplicates Z: 18 36.630 2.286 0.998 0.844 1.000 0.765 CB 1.447 18 residues pruned to eliminate duplicates Z: 31 77.202 2.462 1.623 0.937 1.000 0.467 CB 1.519 31 residues pruned to eliminate duplicates Z: 18 52.826 2.473 1.124 0.947 1.000 0.941 CB 1.686 18 residues pruned to eliminate duplicates Z: 31 64.760 2.420 1.321 0.904 1.000 0.500 CB 1.499 31 residues pruned to eliminate duplicates Z: 17 43.206 2.338 1.436 0.900 0.812 0.562 CB 1.668 17 residues pruned to eliminate duplicates Z: 28 58.814 2.434 1.001 0.821 0.963 0.741 CA 1.827 28 residues pruned to eliminate duplicates Z: 18 42.921 2.384 0.889 0.924 1.000 1.000 CB 1.623 18 residues pruned to eliminate duplicates Z: 28 48.383 2.324 0.989 0.782 0.926 0.704 CA 1.696 28 residues pruned to eliminate duplicates Z: 18 63.016 2.470 1.645 0.924 0.941 0.412 CB 1.746 18 residues pruned to eliminate duplicates Z: 31 52.231 2.380 0.806 0.938 1.000 1.000 CB 1.542 31 residues pruned to eliminate duplicates Z: 28 57.607 2.378 1.055 0.838 0.963 0.778 CB 1.761 27 residues pruned to eliminate duplicates Z: 25 62.209 2.525 0.931 0.929 0.958 0.917 CA 1.902 25 residues pruned to eliminate duplicates Z: 11 33.350 2.451 0.911 0.810 1.000 0.700 CA 1.719 10 residues pruned to eliminate duplicates Z: 16 38.370 2.448 1.117 0.750 0.933 0.667 CB 1.638 16 residues pruned to eliminate duplicates Z: 17 54.264 2.486 1.188 0.895 1.000 0.938 CB 1.788 17 residues pruned to eliminate duplicates Z: 30 76.545 2.510 1.598 0.929 0.966 0.552 CB 1.580 30 residues pruned to eliminate duplicates Z: 26 85.428 2.454 1.621 0.921 1.000 0.680 CA 1.869 27 residues pruned to eliminate duplicates Z: 20 44.807 2.424 0.936 0.950 1.000 1.000 CB 1.511 20 residues pruned to eliminate duplicates Z: 28 62.782 2.464 1.060 0.942 1.000 0.815 CB 1.651 28 residues pruned to eliminate duplicates Z: 31 72.915 2.469 1.465 0.957 0.967 0.667 CB 1.553 30 residues pruned to eliminate duplicates Z: 25 86.429 2.526 1.588 0.934 0.958 0.708 CB 1.964 25 residues pruned to eliminate duplicates Z: 27 64.551 2.501 1.167 0.943 0.962 0.885 CB 1.684 27 residues pruned to eliminate duplicates Z: 20 48.588 2.525 1.153 0.946 0.947 0.895 CB 1.497 20 residues pruned to eliminate duplicates Z: 14 31.503 2.288 1.157 0.797 0.846 0.538 CB 1.614 14 residues pruned to eliminate duplicates Z: 26 59.258 2.431 1.023 0.928 0.960 0.880 CA 1.758 26 residues pruned to eliminate duplicates Z: 27 46.676 2.467 0.856 0.869 0.846 0.538 CB 1.726 27 residues pruned to eliminate duplicates Z: 18 63.055 2.494 1.445 0.941 1.000 0.824 CB 1.740 18 residues pruned to eliminate duplicates Z: 29 65.231 2.535 1.210 0.955 0.964 0.821 CB 1.568 29 residues pruned to eliminate duplicates Z: 26 61.105 2.414 1.203 0.929 0.920 0.480 CB 1.748 Z: 22 56.028 2.448 1.202 0.874 0.952 0.714 CB 1.733 22 residues pruned to eliminate duplicates Z: 18 59.387 2.404 1.454 0.888 1.000 0.529 CB 1.760 18 residues pruned to eliminate duplicates Z: 26 73.240 2.506 1.348 0.920 0.920 0.880 CB 1.905 26 residues pruned to eliminate duplicates Z: 131 129.480 2.484 1.219 0.729 0.977 0.746 CB 1.717 110 residues pruned to eliminate duplicates Z: 19 55.800 2.412 1.285 0.914 1.000 0.889 CB 1.687 19 residues pruned to eliminate duplicates Z: 28 62.801 2.427 1.392 0.880 0.963 0.556 CB 1.566 28 residues pruned to eliminate duplicates Z: 13 33.947 2.224 1.292 0.891 0.917 0.667 CA 1.508 13 residues pruned to eliminate duplicates Z: 17 31.836 2.428 0.938 0.526 0.938 0.500 CB 1.759 17 residues pruned to eliminate duplicates Z: 30 63.347 2.512 0.962 0.935 1.000 0.828 CB 1.664 30 residues pruned to eliminate duplicates Z: 22 42.242 2.362 0.917 0.856 1.000 0.857 CA 1.501 22 residues pruned to eliminate duplicates Z: 28 54.418 2.387 1.132 0.817 0.852 0.593 CA 1.834 28 residues pruned to eliminate duplicates Z: 28 58.579 2.373 1.196 0.858 0.889 0.741 CA 1.792 28 residues pruned to eliminate duplicates Z: 28 61.750 2.354 1.215 0.913 0.963 0.593 CB 1.675 28 residues pruned to eliminate duplicates Z: 25 63.843 2.489 0.993 0.926 1.000 0.958 CA 1.842 25 residues pruned to eliminate duplicates Z: 21 62.785 2.543 1.293 0.886 1.000 0.750 CA 1.737 21 residues pruned to eliminate duplicates Z: 17 41.173 2.277 0.896 0.916 1.000 0.875 CA 1.684 17 residues pruned to eliminate duplicates Z: 19 62.615 2.433 1.476 0.928 1.000 0.833 CB 1.716 19 residues pruned to eliminate duplicates Z: 28 57.089 2.408 1.145 0.854 0.852 0.444 CB 1.845 28 residues pruned to eliminate duplicates Z: 17 56.666 2.423 1.361 0.926 1.000 0.938 CB 1.737 17 residues pruned to eliminate duplicates Z: 29 50.289 2.356 0.861 0.898 1.000 0.750 CB 1.551 29 residues pruned to eliminate duplicates Z: 26 64.110 2.448 1.173 0.880 1.000 0.920 CA 1.746 26 residues pruned to eliminate duplicates Z: 30 60.686 2.490 1.017 0.905 1.000 0.690 CB 1.596 30 residues pruned to eliminate duplicates Z: 26 64.499 2.477 1.193 0.954 0.960 0.720 CB 1.702 26 residues pruned to eliminate duplicates Z: 19 40.316 2.198 1.294 0.881 1.000 0.556 CB 1.365 Z: 33 63.354 2.344 1.440 0.875 0.969 0.500 CB 1.470 33 residues pruned to eliminate duplicates Z: 11 31.262 2.432 0.897 0.842 0.900 0.700 CA 1.774 11 residues pruned to eliminate duplicates Z: 27 73.651 2.521 1.488 0.949 0.962 0.615 CB 1.653 27 residues pruned to eliminate duplicates Z: 26 60.523 2.446 1.148 0.885 0.920 0.640 CB 1.808 26 residues pruned to eliminate duplicates Z: 28 69.412 2.481 1.535 0.931 0.963 0.556 CB 1.542 28 residues pruned to eliminate duplicates Z: 29 69.814 2.394 1.634 0.923 0.929 0.607 CB 1.583 29 residues pruned to eliminate duplicates Z: 25 63.349 2.468 1.077 0.913 0.958 0.792 CA 1.863 25 residues pruned to eliminate duplicates Z: 28 61.026 2.460 1.272 0.940 0.963 0.630 CB 1.516 28 residues pruned to eliminate duplicates Z: 18 53.608 2.545 1.024 0.950 0.941 0.941 CB 1.850 18 residues pruned to eliminate duplicates Z: 144 117.562 2.471 1.149 0.687 0.944 0.713 CB 1.652 144 residues pruned to eliminate duplicates Z: 31 68.715 2.474 1.315 0.956 0.967 0.567 CB 1.557 31 residues pruned to eliminate duplicates Z: 12 23.998 2.266 0.713 0.843 0.909 0.818 CB 1.527 12 residues pruned to eliminate duplicates Z: 25 73.885 2.388 1.499 0.953 0.958 0.667 CB 1.815 25 residues pruned to eliminate duplicates Z: 24 65.347 2.544 1.239 0.932 0.913 0.565 CB 1.830 24 residues pruned to eliminate duplicates Z: 31 65.188 2.461 1.480 0.949 0.900 0.500 CB 1.495 31 residues pruned to eliminate duplicates Z: 26 64.586 2.419 1.273 0.900 0.960 0.720 CA 1.747 26 residues pruned to eliminate duplicates Z: 11 37.275 2.310 1.360 0.913 1.000 0.600 CB 1.530 11 residues pruned to eliminate duplicates Z: 10 35.082 2.552 0.759 0.860 1.000 0.889 CB 1.914 11 residues pruned to eliminate duplicates Z: 30 76.627 2.527 1.424 0.936 1.000 0.586 CB 1.617 30 residues pruned to eliminate duplicates Z: 22 56.155 2.380 1.220 0.864 1.000 0.667 CA 1.701 22 residues pruned to eliminate duplicates Z: 18 60.626 2.460 1.484 0.904 1.000 0.765 CB 1.715 18 residues pruned to eliminate duplicates Z: 22 52.132 2.404 1.264 0.835 0.952 0.571 CB 1.644 22 residues pruned to eliminate duplicates Z: 27 58.431 2.374 1.482 0.895 0.846 0.462 CB 1.648 27 residues pruned to eliminate duplicates Z: 32 67.123 2.416 1.345 0.908 0.968 0.677 CB 1.562 32 residues pruned to eliminate duplicates Z: 17 39.802 2.367 1.096 0.884 0.938 0.750 CB 1.546 17 residues pruned to eliminate duplicates Z: 19 38.038 2.165 1.180 0.859 1.000 0.722 CB 1.398 18 residues pruned to eliminate duplicates Z: 28 57.447 2.434 1.006 0.935 1.000 0.852 CB 1.577 28 residues pruned to eliminate duplicates Z: 22 54.678 2.453 1.184 0.882 0.952 0.857 CA 1.692 22 residues pruned to eliminate duplicates Z: 15 41.110 2.260 1.132 0.893 1.000 0.714 CB 1.638 15 residues pruned to eliminate duplicates Z: 11 28.812 2.355 0.665 0.918 1.000 0.900 CB 1.639 11 residues pruned to eliminate duplicates Z: 27 62.422 2.407 0.991 0.935 0.962 0.769 CB 1.851 27 residues pruned to eliminate duplicates Z: 25 78.717 2.482 1.555 0.922 1.000 0.542 CB 1.783 25 residues pruned to eliminate duplicates Z: 27 57.504 2.453 1.056 0.817 0.923 0.615 CB 1.840 27 residues pruned to eliminate duplicates Z: 25 69.564 2.554 1.065 0.932 0.958 0.833 CA 1.962 25 residues pruned to eliminate duplicates Z: 28 65.187 2.468 1.559 0.921 0.926 0.593 CB 1.510 28 residues pruned to eliminate duplicates Z: 27 46.239 2.293 0.946 0.860 0.885 0.692 CA 1.689 27 residues pruned to eliminate duplicates Z: 29 47.785 2.288 0.867 0.818 0.929 0.643 CA 1.727 29 residues pruned to eliminate duplicates Z: 25 68.387 2.518 1.238 0.926 0.917 0.875 CB 1.895 25 residues pruned to eliminate duplicates Z: 19 47.780 2.400 1.034 0.914 1.000 0.778 CB 1.631 19 residues pruned to eliminate duplicates Z: 26 47.981 2.365 1.443 0.926 0.840 0.440 CB 1.387 26 residues pruned to eliminate duplicates Z: 32 48.791 2.359 0.736 0.891 0.968 0.935 CB 1.589 32 residues pruned to eliminate duplicates Z: 28 73.222 2.377 1.428 0.933 1.000 0.778 CB 1.704 28 residues pruned to eliminate duplicates Z: 29 57.981 2.419 1.103 0.806 0.929 0.607 CA 1.776 29 residues pruned to eliminate duplicates Z: 27 64.141 2.495 1.229 0.941 0.923 0.846 CB 1.700 27 residues pruned to eliminate duplicates Z: 21 58.571 2.499 1.180 0.887 1.000 0.800 CB 1.734 21 residues pruned to eliminate duplicates Z: 18 52.831 2.440 1.111 0.915 1.000 0.882 CB 1.757 18 residues pruned to eliminate duplicates Z: 11 28.252 2.358 0.920 0.831 0.900 0.700 CB 1.647 11 residues pruned to eliminate duplicates Z: 22 55.647 2.422 1.176 0.859 1.000 0.810 CA 1.695 22 residues pruned to eliminate duplicates Z: 25 68.626 2.523 1.087 0.940 0.958 0.792 CB 1.928 25 residues pruned to eliminate duplicates Z: 23 42.462 2.325 1.000 0.812 0.864 0.682 CB 1.718 23 residues pruned to eliminate duplicates Z: 7 15.692 1.931 0.866 0.776 1.000 0.667 CA 1.393 7 residues pruned to eliminate duplicates Z: 31 71.196 2.481 1.400 0.918 0.967 0.767 CB 1.592 31 residues pruned to eliminate duplicates Z: 29 58.033 2.323 1.085 0.862 0.929 0.607 CB 1.790 29 residues pruned to eliminate duplicates Z: 31 73.269 2.449 1.675 0.943 0.933 0.367 CB 1.517 31 residues pruned to eliminate duplicates Z: 19 64.777 2.401 1.582 0.895 1.000 0.778 CB 1.766 19 residues pruned to eliminate duplicates Z: 32 67.177 2.425 1.482 0.940 0.968 0.355 CB 1.438 32 residues pruned to eliminate duplicates Z: 26 71.225 2.347 1.365 0.939 1.000 0.760 CB 1.783 26 residues pruned to eliminate duplicates Z: 48 56.132 2.323 1.108 0.560 0.957 0.638 CB 1.648 35 residues pruned to eliminate duplicates Z: 31 69.675 2.448 1.306 0.919 0.967 0.700 CB 1.643 31 residues pruned to eliminate duplicates Z: 18 63.002 2.440 1.535 0.929 1.000 0.824 CB 1.729 18 residues pruned to eliminate duplicates Z: 21 58.386 2.496 1.278 0.876 0.950 0.900 CB 1.756 21 residues pruned to eliminate duplicates Z: 7 12.186 2.032 0.649 0.703 0.833 0.667 CB 1.482 7 residues pruned to eliminate duplicates Z: 27 54.031 2.366 1.015 0.922 0.923 0.846 CB 1.693 27 residues pruned to eliminate duplicates Z: 19 51.677 2.241 1.291 0.901 1.000 0.444 CA 1.693 19 residues pruned to eliminate duplicates Z: 185 145.281 2.454 1.275 0.708 0.962 0.641 CB 1.652 184 residues pruned to eliminate duplicates Z: 19 59.920 2.403 1.397 0.923 1.000 0.722 CA 1.723 19 residues pruned to eliminate duplicates Z: 30 69.361 2.483 1.442 0.948 1.000 0.483 CB 1.467 30 residues pruned to eliminate duplicates Z: 28 59.345 2.338 1.256 0.917 0.926 0.519 CB 1.650 28 residues pruned to eliminate duplicates Z: 30 51.321 2.228 0.933 0.900 0.966 0.724 CB 1.638 30 residues pruned to eliminate duplicates Z: 17 37.260 2.323 0.994 0.884 1.000 0.750 CB 1.453 17 residues pruned to eliminate duplicates Z: 28 58.607 2.415 1.070 0.806 0.963 0.741 CB 1.794 28 residues pruned to eliminate duplicates Z: 16 25.186 2.204 1.210 0.811 0.867 0.600 CB 1.175 16 residues pruned to eliminate duplicates Z: 27 57.858 2.453 1.066 0.851 0.923 0.731 CB 1.796 27 residues pruned to eliminate duplicates Z: 18 41.919 2.332 1.161 0.860 1.000 0.471 CB 1.484 18 residues pruned to eliminate duplicates Z: 21 48.586 2.537 1.041 0.945 1.000 0.900 CB 1.452 21 residues pruned to eliminate duplicates Z: 7 8.569 1.720 0.697 0.867 1.000 0.833 CB 0.876 7 residues pruned to eliminate duplicates Z: 31 70.349 2.419 1.664 0.928 0.867 0.233 CB 1.611 31 residues pruned to eliminate duplicates Z: 27 76.575 2.508 1.417 0.928 1.000 0.731 CB 1.736 27 residues pruned to eliminate duplicates Z: 31 56.530 2.425 0.952 0.948 1.000 0.700 CB 1.506 31 residues pruned to eliminate duplicates Z: 19 34.969 2.179 0.998 0.886 1.000 0.556 CB 1.366 19 residues pruned to eliminate duplicates Z: 9 10.329 1.796 0.531 0.793 1.000 0.625 CB 1.027 9 residues pruned to eliminate duplicates Z: 22 61.102 2.449 1.311 0.865 1.000 0.810 CB 1.726 22 residues pruned to eliminate duplicates Z: 28 52.559 2.377 1.023 0.921 0.963 0.852 CB 1.538 28 residues pruned to eliminate duplicates Z: 30 75.926 2.496 1.686 0.954 0.966 0.586 CB 1.498 30 residues pruned to eliminate duplicates Z: 25 69.122 2.481 1.498 0.894 0.958 0.375 CB 1.703 25 residues pruned to eliminate duplicates Z: 17 60.533 2.377 1.611 0.913 1.000 0.750 CB 1.726 17 residues pruned to eliminate duplicates Z: 22 53.653 2.446 1.126 0.871 0.952 0.714 CB 1.725 22 residues pruned to eliminate duplicates Z: 28 67.354 2.380 1.366 0.928 0.963 0.519 CB 1.674 28 residues pruned to eliminate duplicates Z: 30 72.476 2.420 1.635 0.944 1.000 0.690 CB 1.462 30 residues pruned to eliminate duplicates Z: 18 36.738 2.296 0.911 0.857 1.000 0.706 CB 1.496 18 residues pruned to eliminate duplicates Z: 173 153.594 2.489 1.312 0.729 0.977 0.634 CB 1.695 171 residues pruned to eliminate duplicates Z: 18 39.848 2.295 1.061 0.866 1.000 0.765 CB 1.496 18 residues pruned to eliminate duplicates Z: 18 38.871 2.297 1.113 0.855 1.000 0.706 CB 1.434 18 residues pruned to eliminate duplicates Z: 25 57.630 2.461 1.193 0.938 0.917 0.792 CB 1.653 25 residues pruned to eliminate duplicates Z: 12 24.951 2.168 0.786 0.832 0.909 0.636 CA 1.605 12 residues pruned to eliminate duplicates Z: 15 28.877 2.211 1.318 0.904 0.857 0.357 CB 1.251 15 residues pruned to eliminate duplicates Z: 16 36.916 2.376 0.618 0.949 1.000 0.867 CA 1.710 16 residues pruned to eliminate duplicates Z: 25 83.514 2.554 1.484 0.931 0.958 0.833 CB 1.960 25 residues pruned to eliminate duplicates Z: 28 54.378 2.335 0.815 0.924 1.000 0.815 CB 1.734 28 residues pruned to eliminate duplicates Z: 28 47.784 2.352 0.792 0.852 0.889 0.556 CB 1.815 28 residues pruned to eliminate duplicates Z: 20 33.079 2.178 1.041 0.801 0.947 0.579 CB 1.385 20 residues pruned to eliminate duplicates Z: 17 48.129 2.550 0.842 0.938 0.938 0.938 CB 1.899 17 residues pruned to eliminate duplicates Z: 26 51.757 2.360 0.704 0.939 1.000 0.920 CA 1.789 26 residues pruned to eliminate duplicates Z: 31 74.999 2.435 1.698 0.958 0.967 0.467 CB 1.478 31 residues pruned to eliminate duplicates Z: 12 22.734 2.098 0.798 0.817 0.909 0.909 CA 1.518 12 residues pruned to eliminate duplicates Z: 22 62.708 2.484 1.288 0.862 1.000 0.810 CA 1.768 22 residues pruned to eliminate duplicates Z: 28 61.910 2.366 1.268 0.863 0.926 0.704 CB 1.760 28 residues pruned to eliminate duplicates Z: 11 22.695 2.446 0.307 0.789 1.000 0.600 CA 1.741 11 residues pruned to eliminate duplicates Z: 18 36.670 2.269 1.052 0.845 1.000 0.588 CB 1.421 18 residues pruned to eliminate duplicates Z: 27 52.700 2.447 0.905 0.824 0.923 0.577 CB 1.814 27 residues pruned to eliminate duplicates Z: 28 65.882 2.385 1.413 0.928 0.926 0.519 CB 1.666 28 residues pruned to eliminate duplicates Z: 26 61.183 2.452 0.964 0.887 1.000 0.920 CB 1.833 25 residues pruned to eliminate duplicates Z: 11 28.988 2.308 0.826 0.872 1.000 1.000 CB 1.585 11 residues pruned to eliminate duplicates Z: 28 57.491 2.346 0.988 0.930 0.963 0.778 CB 1.723 28 residues pruned to eliminate duplicates Z: 46 64.740 2.394 1.033 0.762 0.911 0.778 CB 1.724 46 residues pruned to eliminate duplicates Z: 25 61.967 2.472 1.264 0.913 0.917 0.375 CB 1.745 27 residues pruned to eliminate duplicates Z: 160 124.435 2.439 1.152 0.710 0.937 0.692 CB 1.659 160 residues pruned to eliminate duplicates Z: 16 31.375 2.279 0.767 0.796 0.933 0.533 CA 1.663 16 residues pruned to eliminate duplicates Z: 18 65.495 2.428 1.602 0.913 1.000 0.647 CB 1.779 18 residues pruned to eliminate duplicates Z: 26 79.789 2.443 1.562 0.924 0.960 0.280 CB 1.864 26 residues pruned to eliminate duplicates Z: 27 62.697 2.418 1.065 0.865 1.000 0.692 CB 1.803 27 residues pruned to eliminate duplicates Z: 142 120.505 2.460 1.144 0.698 0.957 0.723 CB 1.677 142 residues pruned to eliminate duplicates Z: 24 51.522 2.480 0.830 0.883 0.957 0.739 CB 1.789 24 residues pruned to eliminate duplicates Z: 26 73.039 2.457 1.498 0.937 0.960 0.760 CB 1.725 26 residues pruned to eliminate duplicates Z: 57 55.500 2.329 1.000 0.571 0.875 0.661 CB 1.699 57 residues pruned to eliminate duplicates Z: 25 83.186 2.514 1.387 0.955 1.000 0.708 CB 1.945 25 residues pruned to eliminate duplicates Z: 22 51.250 2.431 1.063 0.855 1.000 0.810 CB 1.646 22 residues pruned to eliminate duplicates Z: 26 45.073 2.332 1.143 0.825 0.800 0.680 CB 1.701 26 residues pruned to eliminate duplicates Z: 23 90.294 2.596 1.766 0.962 1.000 0.636 CB 1.834 23 residues pruned to eliminate duplicates Z: 19 35.310 2.281 1.029 0.818 0.944 0.667 CB 1.444 19 residues pruned to eliminate duplicates Z: 137 117.261 2.415 1.290 0.659 0.956 0.596 CB 1.641 162 residues pruned to eliminate duplicates Z: 30 48.354 2.434 0.663 0.922 1.000 0.862 CB 1.561 30 residues pruned to eliminate duplicates Z: 27 58.917 2.462 1.144 0.846 0.923 0.731 CB 1.762 27 residues pruned to eliminate duplicates Z: 27 50.991 2.452 0.976 0.866 0.885 0.500 CB 1.709 27 residues pruned to eliminate duplicates Z: 28 56.490 2.441 1.376 0.887 0.889 0.593 CB 1.520 28 residues pruned to eliminate duplicates Z: 22 48.900 2.329 1.222 0.824 0.952 0.762 CB 1.635 22 residues pruned to eliminate duplicates Z: 24 67.873 2.524 1.269 0.895 0.957 0.826 CB 1.853 24 residues pruned to eliminate duplicates Z: 160 136.456 2.478 1.226 0.699 0.969 0.629 CB 1.689 119 residues pruned to eliminate duplicates Z: 28 53.839 2.376 1.083 0.867 0.889 0.519 CB 1.723 28 residues pruned to eliminate duplicates Z: 28 63.659 2.428 1.283 0.805 0.926 0.667 CB 1.828 28 residues pruned to eliminate duplicates Z: 14 34.114 2.456 0.674 0.915 1.000 0.846 CB 1.626 14 residues pruned to eliminate duplicates Z: 145 133.082 2.441 1.340 0.712 0.972 0.653 CB 1.647 145 residues pruned to eliminate duplicates Z: 28 59.431 2.324 1.455 0.900 0.926 0.444 CB 1.546 28 residues pruned to eliminate duplicates Z: 11 19.554 2.226 0.617 0.845 0.800 0.500 CB 1.596 13 residues pruned to eliminate duplicates Z: 130 117.117 2.454 1.287 0.663 0.977 0.597 CB 1.617 130 residues pruned to eliminate duplicates Z: 27 67.793 2.493 1.203 0.923 1.000 0.692 CB 1.701 27 residues pruned to eliminate duplicates Z: 28 57.281 2.416 1.077 0.908 0.963 0.815 CB 1.620 28 residues pruned to eliminate duplicates Z: 20 33.705 2.160 1.212 0.798 0.895 0.474 CB 1.394 20 residues pruned to eliminate duplicates Z: 27 64.812 2.458 1.190 0.862 0.962 0.654 CB 1.803 27 residues pruned to eliminate duplicates Z: 18 41.185 2.307 1.157 0.870 1.000 0.706 CB 1.465 19 residues pruned to eliminate duplicates Z: 15 6.191 1.736 0.564 0.346 0.714 0.571 CB 1.009 15 residues pruned to eliminate duplicates Z: 21 50.501 2.478 1.097 0.871 0.950 0.800 CB 1.668 21 residues pruned to eliminate duplicates Z: 24 82.925 2.562 1.629 0.935 1.000 0.609 CB 1.788 24 residues pruned to eliminate duplicates Z: 28 55.582 2.376 0.906 0.868 1.000 0.778 CA 1.726 28 residues pruned to eliminate duplicates Z: 25 66.809 2.526 1.182 0.898 0.958 0.875 CA 1.847 25 residues pruned to eliminate duplicates Z: 24 55.172 2.539 1.294 0.946 0.913 0.609 CB 1.495 24 residues pruned to eliminate duplicates Z: 27 47.077 2.440 1.056 0.831 0.808 0.692 CB 1.712 27 residues pruned to eliminate duplicates Z: 20 36.822 2.186 1.102 0.793 1.000 0.421 CB 1.422 20 residues pruned to eliminate duplicates Z: 31 59.032 2.493 0.910 0.906 0.967 0.867 CB 1.666 31 residues pruned to eliminate duplicates Z: 178 142.022 2.485 1.277 0.674 0.955 0.508 CB 1.683 178 residues pruned to eliminate duplicates Z: 79 76.910 2.464 1.017 0.638 0.936 0.667 CB 1.645 79 residues pruned to eliminate duplicates Z: 18 48.082 2.328 1.176 0.895 1.000 0.706 CB 1.651 18 residues pruned to eliminate duplicates Z: 11 29.183 2.306 1.233 0.870 1.000 0.900 CB 1.308 11 residues pruned to eliminate duplicates Z: 18 60.566 2.306 1.694 0.872 1.000 0.353 CB 1.724 18 residues pruned to eliminate duplicates Z: 160 119.033 2.459 1.063 0.691 0.931 0.648 CB 1.679 160 residues pruned to eliminate duplicates Z: 30 49.509 2.439 0.854 0.904 0.966 0.793 CB 1.500 30 residues pruned to eliminate duplicates Z: 18 58.510 2.428 1.408 0.901 1.000 0.529 CB 1.732 18 residues pruned to eliminate duplicates Z: 28 61.894 2.318 1.125 0.932 1.000 0.778 CB 1.689 28 residues pruned to eliminate duplicates Z: 28 61.935 2.350 1.093 0.931 1.000 0.741 CB 1.693 28 residues pruned to eliminate duplicates Z: 27 56.018 2.361 0.932 0.929 1.000 0.808 CB 1.686 27 residues pruned to eliminate duplicates Z: 19 36.224 2.199 0.977 0.878 1.000 0.556 CB 1.425 18 residues pruned to eliminate duplicates Z: 11 30.518 2.275 0.857 0.849 1.000 0.800 CA 1.694 11 residues pruned to eliminate duplicates Z: 17 45.133 2.357 1.500 0.865 0.875 0.312 CB 1.603 17 residues pruned to eliminate duplicates Z: 6 10.909 2.056 1.381 0.698 0.600 0.200 CB 1.386 6 residues pruned to eliminate duplicates Z: 150 111.218 2.450 1.081 0.655 0.926 0.691 CB 1.671 73 residues pruned to eliminate duplicates Z: 12 21.989 2.262 0.745 0.773 0.818 0.636 CB 1.612 12 residues pruned to eliminate duplicates Z: 218 163.460 2.480 1.247 0.740 0.954 0.659 CB 1.683 190 residues pruned to eliminate duplicates Z: 13 35.948 2.459 0.666 0.939 1.000 1.000 CB 1.761 13 residues pruned to eliminate duplicates Z: 32 67.609 2.387 1.589 0.928 0.968 0.581 CB 1.422 32 residues pruned to eliminate duplicates Z: 28 55.376 2.470 0.966 0.835 0.889 0.593 CB 1.849 28 residues pruned to eliminate duplicates Z: 27 64.414 2.412 1.183 0.901 0.923 0.654 CB 1.856 27 residues pruned to eliminate duplicates Z: 25 75.771 2.527 1.533 0.945 0.917 0.542 CB 1.825 27 residues pruned to eliminate duplicates Z: 25 70.628 2.458 1.529 0.911 1.000 0.542 CB 1.644 25 residues pruned to eliminate duplicates Z: 19 33.382 2.146 0.859 0.859 1.000 0.556 CB 1.451 19 residues pruned to eliminate duplicates Z: 181 132.961 2.475 1.092 0.690 0.939 0.683 CB 1.714 181 residues pruned to eliminate duplicates Z: 26 69.464 2.434 1.242 0.937 1.000 0.960 CA 1.771 26 residues pruned to eliminate duplicates Z: 14 47.154 2.509 1.375 0.932 0.923 0.846 CB 1.661 14 residues pruned to eliminate duplicates Z: 19 32.721 2.198 1.193 0.860 0.889 0.444 CB 1.324 19 residues pruned to eliminate duplicates Z: 27 66.219 2.489 1.297 0.923 0.962 0.538 CB 1.659 27 residues pruned to eliminate duplicates Z: 7 13.150 1.797 0.854 0.845 1.000 0.833 CA 1.198 7 residues pruned to eliminate duplicates Z: 77 71.059 2.370 1.084 0.620 0.934 0.724 CB 1.578 77 residues pruned to eliminate duplicates Z: 18 31.282 2.323 0.730 0.595 1.000 0.647 CB 1.724 18 residues pruned to eliminate duplicates Z: 15 35.746 2.261 1.372 0.943 1.000 0.429 CB 1.235 15 residues pruned to eliminate duplicates Z: 7 4.138 1.762 0.660 0.321 0.667 0.500 N 1.055 Z: 46 56.603 2.372 0.920 0.713 0.911 0.689 CB 1.677 46 residues pruned to eliminate duplicates Z: 26 65.249 2.492 1.159 0.905 0.920 0.920 CA 1.877 26 residues pruned to eliminate duplicates Z: 31 51.319 2.410 0.836 0.921 0.967 0.800 CB 1.541 31 residues pruned to eliminate duplicates Z: 92 93.569 2.383 1.341 0.674 0.967 0.582 CB 1.549 91 residues pruned to eliminate duplicates Z: 122 107.536 2.397 1.121 0.694 0.950 0.636 CB 1.694 82 residues pruned to eliminate duplicates Z: 23 61.262 2.292 1.398 0.920 0.955 0.500 CB 1.753 23 residues pruned to eliminate duplicates Z: 28 58.785 2.336 1.182 0.906 0.926 0.667 CB 1.705 28 residues pruned to eliminate duplicates Z: 28 51.689 2.356 1.022 0.849 0.889 0.556 CB 1.742 28 residues pruned to eliminate duplicates Z: 16 37.204 2.358 0.821 0.830 0.933 0.667 CB 1.804 16 residues pruned to eliminate duplicates Z: 142 134.916 2.438 1.406 0.710 0.972 0.617 CB 1.648 144 residues pruned to eliminate duplicates Z: 28 53.557 2.322 0.990 0.864 0.926 0.667 CB 1.766 28 residues pruned to eliminate duplicates Z: 18 31.506 2.162 1.250 0.874 0.882 0.412 CB 1.295 18 residues pruned to eliminate duplicates Z: 92 97.292 2.442 1.058 0.739 0.956 0.659 CB 1.713 111 residues pruned to eliminate duplicates Z: 6 3.058 1.674 0.685 0.381 0.600 0.400 C 0.918 Z: 194 136.797 2.453 1.265 0.668 0.927 0.611 CB 1.635 194 residues pruned to eliminate duplicates Z: 6 3.314 1.402 0.458 0.756 0.600 0.200 CA 0.962 6 residues pruned to eliminate duplicates Z: 144 120.253 2.409 1.120 0.699 0.972 0.741 CB 1.690 120 residues pruned to eliminate duplicates Z: 7 10.410 1.951 0.791 0.803 0.833 0.500 CB 1.121 Z: 163 149.242 2.478 1.319 0.739 0.969 0.611 CB 1.700 170 residues pruned to eliminate duplicates Z: 7 4.821 1.547 0.655 0.432 0.833 0.500 CB 0.990 7 residues pruned to eliminate duplicates Z: 16 29.328 2.126 0.965 0.794 0.933 0.533 CB 1.500 16 residues pruned to eliminate duplicates Z: 184 145.445 2.455 1.243 0.720 0.967 0.585 CB 1.654 143 residues pruned to eliminate duplicates Z: 16 26.110 2.417 0.811 0.544 0.867 0.600 CB 1.703 16 residues pruned to eliminate duplicates Z: 22 65.024 2.448 1.547 0.935 0.952 0.667 CB 1.665 22 residues pruned to eliminate duplicates Z: 87 97.898 2.481 1.067 0.788 0.942 0.791 CB 1.696 87 residues pruned to eliminate duplicates Z: 10 28.075 2.384 1.048 0.885 1.000 0.667 CB 1.384 10 residues pruned to eliminate duplicates Z: 13 30.178 2.504 0.855 0.890 0.833 0.500 CB 1.619 13 residues pruned to eliminate duplicates Z: 17 67.281 2.449 1.693 0.922 1.000 0.562 CB 1.793 17 residues pruned to eliminate duplicates Z: 25 80.030 2.504 1.613 0.928 0.917 0.542 CB 1.908 25 residues pruned to eliminate duplicates Z: 6 5.956 1.686 0.600 0.525 0.800 0.400 CA 1.204 6 residues pruned to eliminate duplicates Z: 30 62.224 2.517 0.999 0.908 1.000 0.828 CB 1.631 30 residues pruned to eliminate duplicates Z: 26 64.422 2.460 1.222 0.888 0.920 0.680 CA 1.846 26 residues pruned to eliminate duplicates Z: 28 57.408 2.370 1.138 0.930 0.926 0.556 CB 1.647 28 residues pruned to eliminate duplicates Z: 127 114.136 2.435 1.134 0.732 0.944 0.746 CB 1.681 127 residues pruned to eliminate duplicates Z: 11 10.641 1.928 0.696 0.421 0.900 0.500 CB 1.241 11 residues pruned to eliminate duplicates Z: 9 19.571 2.187 1.821 0.583 0.875 0.500 CB 1.184 Z: 20 63.292 2.479 1.441 0.940 1.000 0.737 CB 1.666 20 residues pruned to eliminate duplicates Z: 120 108.998 2.437 1.108 0.700 0.966 0.630 CB 1.677 120 residues pruned to eliminate duplicates Z: 11 28.848 2.075 1.052 0.890 1.000 0.700 CB 1.541 20 residues pruned to eliminate duplicates Z: 28 60.458 2.399 1.166 0.845 0.926 0.630 CA 1.798 28 residues pruned to eliminate duplicates Z: 8 6.562 1.571 0.673 0.682 0.857 0.714 CB 0.931 8 residues pruned to eliminate duplicates Z: 31 58.767 2.397 1.182 0.935 0.967 0.867 CB 1.478 31 residues pruned to eliminate duplicates Z: 60 67.663 2.386 1.071 0.652 0.966 0.593 CB 1.602 60 residues pruned to eliminate duplicates Z: 6 7.789 1.695 0.419 0.664 1.000 0.600 CA 1.244 Z: 28 54.898 2.220 1.240 0.931 0.963 0.630 CB 1.542 28 residues pruned to eliminate duplicates Z: 60 60.777 2.325 1.171 0.507 0.949 0.593 CB 1.641 60 residues pruned to eliminate duplicates Z: 22 21.121 2.124 0.761 0.383 0.905 0.476 CB 1.542 22 residues pruned to eliminate duplicates Z: 26 43.166 2.243 0.882 0.745 1.000 0.840 CB 1.642 24 residues pruned to eliminate duplicates Z: 20 35.887 2.197 1.170 0.831 0.947 0.684 CB 1.369 Z: 6 10.731 1.905 0.583 0.695 1.000 0.800 CB 1.331 6 residues pruned to eliminate duplicates Z: 24 45.983 2.437 0.813 0.892 0.957 0.870 CA 1.630 24 residues pruned to eliminate duplicates Z: 174 143.268 2.463 1.291 0.723 0.960 0.659 CB 1.644 174 residues pruned to eliminate duplicates Z: 232 163.893 2.434 1.259 0.715 0.961 0.649 CB 1.680 232 residues pruned to eliminate duplicates Z: 27 55.520 2.406 1.341 0.873 0.923 0.385 CB 1.526 27 residues pruned to eliminate duplicates Z: 6 12.645 2.089 0.526 0.769 1.000 0.600 CA 1.398 Z: 60 67.674 2.298 0.989 0.684 0.966 0.712 CB 1.685 60 residues pruned to eliminate duplicates Z: 14 34.383 2.268 0.743 0.909 1.000 0.846 CB 1.712 14 residues pruned to eliminate duplicates Z: 187 133.676 2.444 1.094 0.691 0.957 0.672 CB 1.680 197 residues pruned to eliminate duplicates Z: 119 91.404 2.355 1.050 0.649 0.924 0.661 CB 1.641 121 residues pruned to eliminate duplicates Z: 25 30.162 2.189 1.155 0.659 0.917 0.625 CB 1.228 25 residues pruned to eliminate duplicates Z: 18 38.416 2.246 1.273 0.852 0.941 0.588 CB 1.434 18 residues pruned to eliminate duplicates Z: 46 40.492 2.129 1.055 0.451 0.956 0.600 CB 1.517 41 residues pruned to eliminate duplicates Z: 18 34.767 2.212 0.974 0.838 1.000 0.706 CB 1.443 18 residues pruned to eliminate duplicates Z: 91 98.973 2.451 1.176 0.740 0.944 0.767 CB 1.670 91 residues pruned to eliminate duplicates Z: 142 135.389 2.496 1.344 0.706 0.965 0.596 CB 1.676 142 residues pruned to eliminate duplicates Z: 179 146.163 2.453 1.302 0.715 0.961 0.663 CB 1.662 177 residues pruned to eliminate duplicates Z: 14 31.680 2.232 0.804 0.801 1.000 0.538 CA 1.677 14 residues pruned to eliminate duplicates Z: 16 24.192 2.147 1.160 0.828 0.733 0.467 CB 1.384 16 residues pruned to eliminate duplicates Z: 28 36.827 2.174 1.042 0.558 0.889 0.519 CB 1.697 28 residues pruned to eliminate duplicates Z: 135 118.833 2.457 1.218 0.653 0.948 0.522 CB 1.724 133 residues pruned to eliminate duplicates Z: 16 22.259 2.263 0.821 0.418 0.933 0.533 CB 1.627 16 residues pruned to eliminate duplicates Z: 31 25.051 2.089 0.867 0.385 0.867 0.533 CB 1.528 31 residues pruned to eliminate duplicates Z: 47 39.328 2.201 0.942 0.475 0.913 0.565 CB 1.525 47 residues pruned to eliminate duplicates Z: 26 68.844 2.376 1.394 0.892 1.000 0.280 CB 1.739 26 residues pruned to eliminate duplicates Z: 19 49.349 2.227 1.381 0.914 0.944 0.556 CB 1.643 19 residues pruned to eliminate duplicates Z: 28 46.946 2.283 0.721 0.919 0.963 0.815 CB 1.682 28 residues pruned to eliminate duplicates Z: 18 50.965 2.339 1.275 0.931 1.000 0.824 CB 1.623 18 residues pruned to eliminate duplicates Z: 6 12.435 1.902 0.936 0.877 1.000 1.000 CA 1.097 6 residues pruned to eliminate duplicates Z: 178 154.108 2.493 1.285 0.716 0.989 0.661 CB 1.691 198 residues pruned to eliminate duplicates Z: 30 64.881 2.461 1.248 0.924 0.966 0.724 CB 1.583 30 residues pruned to eliminate duplicates Z: 182 143.829 2.468 1.266 0.694 0.956 0.564 CB 1.675 182 residues pruned to eliminate duplicates Z: 11 18.260 2.141 0.660 0.843 0.800 0.500 CB 1.513 11 residues pruned to eliminate duplicates Z: 26 64.078 2.508 1.270 0.964 1.000 0.800 CB 1.538 26 residues pruned to eliminate duplicates Z: 27 58.730 2.433 0.994 0.832 1.000 0.769 CA 1.782 27 residues pruned to eliminate duplicates Z: 24 31.377 2.181 1.098 0.680 0.957 0.652 CB 1.267 24 residues pruned to eliminate duplicates Z: 42 31.268 2.066 0.927 0.415 0.902 0.463 CB 1.484 42 residues pruned to eliminate duplicates Z: 16 33.988 2.302 0.878 0.905 1.000 0.933 CB 1.445 16 residues pruned to eliminate duplicates Z: 18 38.099 2.312 0.906 0.863 1.000 0.882 CB 1.539 Z: 6 4.841 2.007 0.657 0.100 0.800 0.800 CA 1.357 Z: 22 52.972 2.364 1.307 0.830 0.952 0.810 CA 1.673 22 residues pruned to eliminate duplicates Z: 22 21.747 2.012 0.821 0.418 0.905 0.476 CB 1.560 22 residues pruned to eliminate duplicates Z: 6 5.905 2.040 0.359 0.672 0.600 0.400 CA 1.355 6 residues pruned to eliminate duplicates Z: 26 68.356 2.506 1.110 0.882 1.000 0.720 CA 1.871 26 residues pruned to eliminate duplicates Z: 28 59.374 2.367 1.351 0.898 0.889 0.630 CB 1.653 28 residues pruned to eliminate duplicates Z: 181 142.389 2.441 1.309 0.678 0.967 0.556 CB 1.653 181 residues pruned to eliminate duplicates Z: 30 50.727 2.459 1.236 0.654 0.931 0.552 CB 1.595 30 residues pruned to eliminate duplicates Z: 6 2.060 1.443 0.644 0.453 1.000 1.000 CB 0.407 6 residues pruned to eliminate duplicates Z: 19 32.423 2.213 0.613 0.891 1.000 0.944 CB 1.538 19 residues pruned to eliminate duplicates Z: 21 40.409 2.332 1.255 0.699 0.800 0.700 CA 1.790 21 residues pruned to eliminate duplicates Z: 19 41.612 2.196 1.257 0.883 1.000 0.722 CB 1.431 19 residues pruned to eliminate duplicates Z: 18 40.524 2.282 1.115 0.865 1.000 0.824 CB 1.492 18 residues pruned to eliminate duplicates Z: 12 19.711 2.176 0.786 0.464 1.000 0.455 CA 1.587 12 residues pruned to eliminate duplicates Z: 25 61.035 2.351 1.490 0.912 0.917 0.208 CB 1.644 25 residues pruned to eliminate duplicates Z: 7 17.946 2.200 0.656 0.840 0.833 0.667 CA 1.800 Z: 7 7.194 1.626 0.240 0.832 0.833 0.833 CB 1.313 7 residues pruned to eliminate duplicates Z: 121 120.297 2.463 1.349 0.696 0.958 0.500 CB 1.656 121 residues pruned to eliminate duplicates Z: 130 119.800 2.469 1.135 0.743 0.961 0.698 CB 1.675 137 residues pruned to eliminate duplicates Z: 10 33.628 2.532 1.107 0.880 0.889 0.778 CB 1.714 10 residues pruned to eliminate duplicates Z: 18 33.154 2.195 0.889 0.905 1.000 0.824 CB 1.381 18 residues pruned to eliminate duplicates Z: 18 28.036 2.176 1.289 0.792 0.824 0.235 CB 1.283 18 residues pruned to eliminate duplicates Z: 6 2.438 1.595 0.268 0.271 0.800 0.400 CB 0.874 Z: 52 56.781 2.297 1.172 0.557 0.922 0.510 CB 1.636 52 residues pruned to eliminate duplicates Z: 14 21.994 2.137 1.082 0.492 0.846 0.538 CB 1.633 14 residues pruned to eliminate duplicates Z: 21 46.976 2.469 0.906 0.864 1.000 0.750 CB 1.637 21 residues pruned to eliminate duplicates Z: 127 113.154 2.480 1.178 0.676 0.952 0.651 CB 1.666 127 residues pruned to eliminate duplicates Z: 141 133.753 2.452 1.364 0.718 0.971 0.657 CB 1.648 141 residues pruned to eliminate duplicates Z: 185 137.358 2.449 1.230 0.670 0.962 0.527 CB 1.648 185 residues pruned to eliminate duplicates Z: 7 2.258 1.609 0.574 0.323 0.500 0.333 CB 0.885 Z: 52 72.649 2.459 1.166 0.713 0.961 0.588 CB 1.638 52 residues pruned to eliminate duplicates Z: 69 67.987 2.436 0.984 0.643 0.941 0.618 CB 1.586 69 residues pruned to eliminate duplicates Z: 47 78.919 2.388 1.162 0.800 1.000 0.783 CB 1.734 45 residues pruned to eliminate duplicates Z: 18 67.773 2.388 1.601 0.917 1.000 0.647 CA 1.867 18 residues pruned to eliminate duplicates Z: 118 95.712 2.390 1.195 0.610 0.940 0.624 CB 1.617 118 residues pruned to eliminate duplicates Z: 6 2.213 1.324 0.336 0.292 0.800 0.600 N 0.883 Z: 32 57.144 2.382 1.149 0.939 0.968 0.613 CB 1.440 32 residues pruned to eliminate duplicates Z: 7 4.729 1.417 0.254 0.593 0.833 0.500 CA 1.193 7 residues pruned to eliminate duplicates Z: 6 13.091 1.936 0.801 0.852 1.000 0.600 CB 1.242 Z: 6 5.129 1.531 0.416 0.446 0.800 0.400 O 1.398 Z: 218 151.798 2.429 1.235 0.700 0.968 0.594 CB 1.634 225 residues pruned to eliminate duplicates Z: 89 92.837 2.423 1.305 0.668 0.966 0.511 CB 1.570 89 residues pruned to eliminate duplicates Z: 85 112.792 2.511 1.410 0.720 0.988 0.655 CB 1.687 85 residues pruned to eliminate duplicates Z: 159 138.515 2.441 1.282 0.703 0.981 0.627 CB 1.676 159 residues pruned to eliminate duplicates Z: 16 32.401 2.386 0.939 0.797 0.800 0.467 CA 1.743 16 residues pruned to eliminate duplicates Z: 9 27.688 2.316 0.848 0.915 1.000 1.000 CB 1.616 9 residues pruned to eliminate duplicates Z: 18 40.168 2.315 1.100 0.876 1.000 0.706 CB 1.456 18 residues pruned to eliminate duplicates Z: 18 39.548 2.290 1.052 0.877 1.000 0.765 CB 1.482 18 residues pruned to eliminate duplicates Z: 8 19.429 2.265 0.846 0.767 1.000 0.857 CB 1.386 Z: 19 45.242 2.219 1.509 0.911 0.889 0.556 CB 1.527 19 residues pruned to eliminate duplicates Z: 45 75.876 2.352 1.179 0.803 1.000 0.773 CB 1.712 53 residues pruned to eliminate duplicates Z: 13 16.768 1.983 0.689 0.493 1.000 0.750 CB 1.454 13 residues pruned to eliminate duplicates Z: 8 3.052 1.428 0.507 0.478 0.857 0.571 CB 0.640 Z: 7 4.486 1.517 0.579 0.410 0.833 0.500 CA 1.008 Z: 8 9.124 1.847 0.540 0.847 0.857 0.571 CB 1.050 8 residues pruned to eliminate duplicates Z: 43 51.642 2.372 0.924 0.585 0.905 0.548 CA 1.778 44 residues pruned to eliminate duplicates Z: 26 59.742 2.489 0.937 0.876 1.000 0.880 CB 1.801 26 residues pruned to eliminate duplicates Z: 7 9.030 1.493 0.608 0.830 1.000 0.833 CA 1.154 7 residues pruned to eliminate duplicates Z: 21 52.185 2.435 1.197 0.835 0.950 0.700 CB 1.720 21 residues pruned to eliminate duplicates Z: 7 3.586 1.532 0.584 0.220 0.667 0.500 C 1.257 Z: 18 55.215 2.315 1.271 0.929 1.000 0.824 CA 1.782 18 residues pruned to eliminate duplicates Z: 121 103.060 2.437 1.179 0.632 0.942 0.583 CB 1.662 121 residues pruned to eliminate duplicates Z: 6 4.416 1.335 0.311 0.704 1.000 0.800 CB 0.937 Z: 30 49.285 2.485 0.978 0.633 0.931 0.621 CB 1.764 30 residues pruned to eliminate duplicates Z: 66 63.887 2.303 1.172 0.571 0.938 0.723 CB 1.577 73 residues pruned to eliminate duplicates Z: 120 122.266 2.480 1.317 0.702 0.975 0.571 CB 1.665 120 residues pruned to eliminate duplicates Z: 49 62.596 2.415 0.984 0.685 0.896 0.667 CB 1.777 49 residues pruned to eliminate duplicates Z: 41 64.566 2.518 1.023 0.625 0.925 0.575 CB 1.925 41 residues pruned to eliminate duplicates Z: 8 11.147 1.866 0.822 0.832 0.857 0.571 CB 1.085 8 residues pruned to eliminate duplicates Z: 8 17.212 1.962 1.112 0.777 1.000 1.000 CA 1.229 8 residues pruned to eliminate duplicates Z: 27 55.538 2.458 0.983 0.825 0.962 0.692 CA 1.754 27 residues pruned to eliminate duplicates 456 residues left after pruning, divided into chains as follows: A: 180 B: 46 C: 230 CC for partial structure against native data = 46.13 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.820, Connect. = 0.771 for dens.mod. cycle 1 = 0.300, Contrast = 0.957, Connect. = 0.804 for dens.mod. cycle 2 = 0.300, Contrast = 1.172, Connect. = 0.826 for dens.mod. cycle 3 = 0.300, Contrast = 1.224, Connect. = 0.828 for dens.mod. cycle 4 = 0.300, Contrast = 1.262, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 1.280, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.294, Connect. = 0.834 for dens.mod. cycle 7 = 0.300, Contrast = 1.300, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.305, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 1.306, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2975 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 600 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 26.504 2.170 0.587 0.910 1.000 0.909 CB 1.647 B: 11 41.706 2.488 1.134 0.912 1.000 0.700 CB 1.759 C: 26 79.591 2.515 1.294 0.921 1.000 0.920 CA 1.942 D: 22 54.709 2.544 0.982 0.883 0.952 0.905 CA 1.798 E: 19 48.647 2.334 1.150 0.886 1.000 0.778 CA 1.649 F: 27 68.212 2.506 1.190 0.877 0.923 0.769 CA 1.918 27 residues pruned to eliminate duplicates G: 22 56.223 2.477 1.027 0.871 1.000 0.905 CA 1.782 22 residues pruned to eliminate duplicates H: 11 33.488 2.477 0.736 0.869 1.000 0.900 CA 1.799 I: 21 60.731 2.594 1.215 0.850 0.950 0.700 CA 1.843 21 residues pruned to eliminate duplicates J: 30 69.447 2.516 1.265 0.926 0.966 0.759 CB 1.643 K: 22 62.283 2.529 1.123 0.887 1.000 0.619 CA 1.824 22 residues pruned to eliminate duplicates L: 25 85.388 2.582 1.384 0.939 1.000 0.750 CB 1.968 25 residues pruned to eliminate duplicates M: 22 53.193 2.509 0.993 0.872 0.952 0.810 CB 1.777 N: 10 31.438 2.612 0.615 0.894 1.000 0.889 CB 1.782 11 residues pruned to eliminate duplicates O: 27 76.192 2.442 1.304 0.953 0.962 0.731 CB 1.900 26 residues pruned to eliminate duplicates P: 26 66.999 2.518 1.052 0.909 0.960 0.840 CA 1.917 26 residues pruned to eliminate duplicates Q: 11 37.053 2.388 1.279 0.916 1.000 0.700 CB 1.521 11 residues pruned to eliminate duplicates R: 27 83.738 2.509 1.478 0.892 0.962 0.462 CB 1.973 27 residues pruned to eliminate duplicates S: 17 54.763 2.476 1.061 0.908 1.000 0.875 CB 1.904 17 residues pruned to eliminate duplicates T: 11 37.905 2.473 0.838 0.891 1.000 1.000 CB 1.895 11 residues pruned to eliminate duplicates U: 18 54.158 2.420 1.118 0.893 1.000 0.882 CB 1.840 18 residues pruned to eliminate duplicates V: 24 79.164 2.621 1.379 0.950 0.957 0.652 CB 1.909 W: 25 75.955 2.577 1.141 0.947 1.000 0.833 CB 1.941 25 residues pruned to eliminate duplicates X: 29 63.023 2.378 1.054 0.861 1.000 0.750 CA 1.792 Y: 33 64.868 2.420 1.146 0.889 0.969 0.812 CB 1.642 33 residues pruned to eliminate duplicates Z: 25 77.607 2.541 1.223 0.924 1.000 0.917 CB 1.969 25 residues pruned to eliminate duplicates Z: 27 62.030 2.500 1.018 0.846 1.000 0.808 CA 1.791 27 residues pruned to eliminate duplicates Z: 27 61.902 2.480 1.014 0.855 0.962 0.885 CB 1.866 24 residues pruned to eliminate duplicates Z: 22 59.843 2.516 1.089 0.868 1.000 0.857 CA 1.816 22 residues pruned to eliminate duplicates Z: 26 69.903 2.469 1.311 0.928 0.920 0.560 CB 1.866 26 residues pruned to eliminate duplicates Z: 25 70.137 2.545 1.216 0.891 0.958 0.667 CB 1.904 25 residues pruned to eliminate duplicates Z: 29 48.382 2.533 0.537 0.951 0.964 0.929 CB 1.679 Z: 18 52.423 2.460 0.962 0.921 1.000 0.941 CB 1.855 18 residues pruned to eliminate duplicates Z: 25 68.961 2.545 1.430 0.919 0.917 0.500 CB 1.750 26 residues pruned to eliminate duplicates Z: 16 72.668 2.663 1.623 0.938 1.000 0.867 CB 1.867 Z: 19 39.875 2.368 0.777 0.906 1.000 0.944 CA 1.589 18 residues pruned to eliminate duplicates Z: 22 50.809 2.464 0.929 0.871 1.000 0.810 CA 1.701 22 residues pruned to eliminate duplicates Z: 18 66.603 2.643 1.378 0.913 1.000 0.824 CB 1.818 18 residues pruned to eliminate duplicates Z: 18 55.705 2.501 1.336 0.935 0.941 0.941 CB 1.713 18 residues pruned to eliminate duplicates Z: 28 57.141 2.456 0.955 0.807 0.963 0.741 CA 1.820 Z: 17 59.065 2.617 1.198 0.936 1.000 0.875 CB 1.788 17 residues pruned to eliminate duplicates Z: 10 39.632 2.559 0.911 0.891 1.000 0.889 CB 1.942 11 residues pruned to eliminate duplicates Z: 26 84.711 2.511 1.384 0.943 1.000 0.640 CA 1.961 26 residues pruned to eliminate duplicates Z: 31 73.519 2.546 1.312 0.931 0.967 0.767 CB 1.648 29 residues pruned to eliminate duplicates Z: 25 74.148 2.534 1.317 0.900 1.000 0.625 CB 1.842 25 residues pruned to eliminate duplicates Z: 14 45.299 2.578 1.112 0.936 1.000 0.692 CB 1.607 14 residues pruned to eliminate duplicates Z: 17 65.895 2.654 1.337 0.950 1.000 0.812 CB 1.833 17 residues pruned to eliminate duplicates Z: 12 33.469 2.328 0.998 0.925 1.000 1.000 CB 1.523 12 residues pruned to eliminate duplicates Z: 120 117.693 2.526 1.089 0.698 0.975 0.714 CB 1.750 63 residues pruned to eliminate duplicates Z: 28 73.498 2.489 1.458 0.937 1.000 0.741 CB 1.609 31 residues pruned to eliminate duplicates Z: 33 56.832 2.410 1.015 0.894 0.938 0.875 CB 1.583 33 residues pruned to eliminate duplicates Z: 22 63.009 2.497 1.291 0.849 1.000 0.619 CB 1.781 22 residues pruned to eliminate duplicates Z: 24 80.003 2.599 1.402 0.955 0.957 0.609 CB 1.921 24 residues pruned to eliminate duplicates Z: 22 57.088 2.525 1.065 0.849 0.952 0.714 CB 1.860 22 residues pruned to eliminate duplicates Z: 28 53.111 2.431 0.993 0.905 0.963 0.778 CB 1.559 28 residues pruned to eliminate duplicates Z: 31 50.538 2.482 0.697 0.903 0.933 0.900 CB 1.673 31 residues pruned to eliminate duplicates Z: 26 79.179 2.551 1.363 0.915 0.920 0.880 CB 2.017 26 residues pruned to eliminate duplicates Z: 17 71.961 2.674 1.603 0.930 1.000 0.562 CB 1.808 16 residues pruned to eliminate duplicates Z: 30 57.119 2.517 0.832 0.950 1.000 1.000 CB 1.586 30 residues pruned to eliminate duplicates Z: 12 39.121 2.545 1.060 0.892 0.909 0.909 CA 1.778 12 residues pruned to eliminate duplicates Z: 25 87.751 2.579 1.527 0.921 0.958 0.542 CB 2.018 26 residues pruned to eliminate duplicates Z: 14 42.392 2.590 0.985 0.944 0.923 0.846 CB 1.716 14 residues pruned to eliminate duplicates Z: 19 43.038 2.379 0.826 0.918 1.000 0.778 CB 1.646 18 residues pruned to eliminate duplicates Z: 12 22.831 2.324 0.542 0.760 1.000 0.636 CB 1.525 12 residues pruned to eliminate duplicates Z: 18 63.590 2.477 1.557 0.894 1.000 0.588 CB 1.746 18 residues pruned to eliminate duplicates Z: 21 58.995 2.576 1.036 0.896 1.000 0.950 CA 1.802 21 residues pruned to eliminate duplicates Z: 83 89.478 2.495 0.936 0.728 0.951 0.646 CB 1.751 61 residues pruned to eliminate duplicates Z: 24 79.499 2.632 1.129 0.944 1.000 0.783 CB 2.048 24 residues pruned to eliminate duplicates Z: 19 54.296 2.409 1.115 0.921 1.000 0.889 CB 1.768 19 residues pruned to eliminate duplicates Z: 22 64.781 2.520 1.222 0.890 1.000 0.667 CB 1.816 22 residues pruned to eliminate duplicates Z: 20 28.769 2.178 0.948 0.769 0.895 0.632 CB 1.370 20 residues pruned to eliminate duplicates Z: 19 50.091 2.462 1.048 0.941 1.000 0.944 CB 1.625 19 residues pruned to eliminate duplicates Z: 20 54.019 2.371 1.087 0.926 1.000 0.842 CB 1.757 20 residues pruned to eliminate duplicates Z: 27 60.430 2.512 0.967 0.794 1.000 0.538 CB 1.854 27 residues pruned to eliminate duplicates Z: 24 85.115 2.611 1.592 0.894 1.000 0.435 CB 1.881 26 residues pruned to eliminate duplicates Z: 19 52.873 2.451 0.963 0.928 1.000 1.000 CA 1.814 19 residues pruned to eliminate duplicates Z: 24 89.975 2.615 1.606 0.950 0.957 0.565 CB 1.984 26 residues pruned to eliminate duplicates Z: 30 59.226 2.452 0.948 0.924 1.000 0.828 CB 1.616 30 residues pruned to eliminate duplicates Z: 31 54.893 2.503 0.671 0.930 0.967 0.867 CB 1.734 31 residues pruned to eliminate duplicates Z: 26 68.806 2.546 1.104 0.932 0.960 0.880 CA 1.869 26 residues pruned to eliminate duplicates Z: 33 71.164 2.423 1.455 0.864 0.969 0.406 CB 1.601 33 residues pruned to eliminate duplicates Z: 27 72.453 2.438 1.297 0.906 0.962 0.731 CA 1.877 27 residues pruned to eliminate duplicates Z: 21 53.017 2.562 0.840 0.868 1.000 0.700 CA 1.839 21 residues pruned to eliminate duplicates Z: 31 64.384 2.480 1.117 0.931 0.967 0.900 CB 1.619 31 residues pruned to eliminate duplicates Z: 27 71.213 2.578 1.255 0.947 0.962 0.731 CB 1.727 27 residues pruned to eliminate duplicates Z: 27 69.514 2.566 1.253 0.932 0.923 0.769 CB 1.783 27 residues pruned to eliminate duplicates Z: 18 34.128 2.327 1.006 0.858 0.882 0.647 CB 1.480 18 residues pruned to eliminate duplicates Z: 22 68.656 2.603 1.459 0.943 0.952 0.667 CB 1.703 22 residues pruned to eliminate duplicates Z: 28 56.469 2.442 0.941 0.834 0.963 0.704 CB 1.785 28 residues pruned to eliminate duplicates Z: 19 69.785 2.474 1.705 0.915 1.000 0.667 CB 1.737 19 residues pruned to eliminate duplicates Z: 17 57.182 2.636 1.109 0.928 1.000 0.875 CB 1.801 17 residues pruned to eliminate duplicates Z: 22 53.622 2.522 0.972 0.863 0.952 0.762 CB 1.812 22 residues pruned to eliminate duplicates Z: 18 38.999 2.303 1.192 0.868 0.941 0.706 CB 1.455 18 residues pruned to eliminate duplicates Z: 22 68.231 2.528 1.320 0.869 1.000 0.857 CA 1.855 22 residues pruned to eliminate duplicates Z: 24 78.762 2.579 1.581 0.947 0.913 0.609 CB 1.868 24 residues pruned to eliminate duplicates Z: 25 60.317 2.518 1.005 0.946 0.958 0.833 CB 1.760 25 residues pruned to eliminate duplicates Z: 31 74.034 2.501 1.480 0.927 0.967 0.567 CB 1.579 31 residues pruned to eliminate duplicates Z: 31 49.765 2.436 0.633 0.925 0.967 0.867 CB 1.658 31 residues pruned to eliminate duplicates Z: 20 57.070 2.349 1.298 0.958 1.000 1.000 CB 1.663 19 residues pruned to eliminate duplicates Z: 27 69.928 2.437 1.181 0.926 1.000 0.654 CA 1.809 27 residues pruned to eliminate duplicates Z: 26 60.998 2.503 0.893 0.904 0.960 0.840 CA 1.911 26 residues pruned to eliminate duplicates Z: 29 55.791 2.420 0.867 0.837 0.964 0.643 CB 1.810 28 residues pruned to eliminate duplicates Z: 20 39.562 2.345 0.834 0.894 0.947 0.789 CB 1.598 20 residues pruned to eliminate duplicates Z: 29 63.489 2.589 0.940 0.959 0.964 0.857 CB 1.698 29 residues pruned to eliminate duplicates Z: 27 68.841 2.452 1.202 0.926 0.962 0.538 CB 1.824 Z: 181 130.834 2.506 0.994 0.686 0.950 0.672 CB 1.731 127 residues pruned to eliminate duplicates Z: 16 51.224 2.603 0.859 0.944 0.933 0.800 CA 2.028 16 residues pruned to eliminate duplicates Z: 22 59.846 2.487 1.137 0.878 0.952 0.714 CA 1.872 22 residues pruned to eliminate duplicates Z: 22 64.632 2.507 1.372 0.870 0.952 0.714 CB 1.818 22 residues pruned to eliminate duplicates Z: 30 82.613 2.527 1.599 0.918 1.000 0.448 CB 1.648 30 residues pruned to eliminate duplicates Z: 26 52.791 2.511 1.103 0.859 0.840 0.520 CB 1.752 27 residues pruned to eliminate duplicates Z: 18 58.916 2.463 1.360 0.891 1.000 0.588 CB 1.767 18 residues pruned to eliminate duplicates Z: 29 56.471 2.439 1.037 0.823 0.893 0.679 CB 1.818 29 residues pruned to eliminate duplicates Z: 28 53.624 2.449 0.918 0.831 0.926 0.778 CA 1.783 27 residues pruned to eliminate duplicates Z: 27 62.555 2.475 1.003 0.853 1.000 0.692 CA 1.829 27 residues pruned to eliminate duplicates Z: 28 66.844 2.518 1.244 0.932 1.000 0.741 CB 1.590 28 residues pruned to eliminate duplicates Z: 18 60.205 2.468 1.333 0.919 1.000 0.765 CB 1.787 18 residues pruned to eliminate duplicates Z: 28 58.843 2.456 1.074 0.882 1.000 0.741 CB 1.608 28 residues pruned to eliminate duplicates Z: 17 30.830 2.416 0.645 0.908 0.938 0.938 CB 1.469 17 residues pruned to eliminate duplicates Z: 82 86.310 2.512 1.052 0.586 0.963 0.605 CB 1.779 82 residues pruned to eliminate duplicates Z: 23 54.730 2.407 1.025 0.881 1.000 0.818 CA 1.733 23 residues pruned to eliminate duplicates Z: 31 79.328 2.534 1.492 0.940 0.967 0.433 CB 1.647 31 residues pruned to eliminate duplicates Z: 22 57.911 2.510 1.242 0.867 0.905 0.762 CB 1.816 22 residues pruned to eliminate duplicates Z: 25 81.133 2.602 1.305 0.953 0.958 0.458 CB 1.984 25 residues pruned to eliminate duplicates Z: 22 60.427 2.493 1.207 0.883 1.000 0.619 CA 1.734 22 residues pruned to eliminate duplicates Z: 28 55.430 2.484 0.873 0.929 1.000 0.778 CB 1.604 28 residues pruned to eliminate duplicates Z: 28 51.832 2.446 0.883 0.822 0.926 0.630 CB 1.770 28 residues pruned to eliminate duplicates Z: 19 46.098 2.466 0.740 0.895 0.944 0.889 CA 1.922 19 residues pruned to eliminate duplicates Z: 32 63.576 2.442 1.149 0.939 0.968 0.806 CB 1.562 32 residues pruned to eliminate duplicates Z: 11 32.920 2.458 0.926 0.790 1.000 0.700 CA 1.704 11 residues pruned to eliminate duplicates Z: 32 61.224 2.429 1.024 0.890 0.968 0.742 CB 1.663 32 residues pruned to eliminate duplicates Z: 30 69.304 2.552 1.232 0.954 0.966 0.517 CB 1.609 30 residues pruned to eliminate duplicates Z: 17 53.744 2.533 1.098 0.945 1.000 0.938 CB 1.750 17 residues pruned to eliminate duplicates Z: 26 43.613 2.484 0.621 0.944 0.960 0.920 CB 1.563 26 residues pruned to eliminate duplicates Z: 25 81.193 2.583 1.487 0.931 0.958 0.625 CB 1.881 25 residues pruned to eliminate duplicates Z: 12 31.997 2.567 0.796 0.908 0.818 0.818 CB 1.817 12 residues pruned to eliminate duplicates Z: 28 72.654 2.516 1.525 0.935 0.963 0.481 CB 1.593 28 residues pruned to eliminate duplicates Z: 29 59.831 2.387 1.015 0.853 0.964 0.750 CA 1.801 29 residues pruned to eliminate duplicates Z: 29 76.360 2.567 1.534 0.940 0.964 0.536 CB 1.597 29 residues pruned to eliminate duplicates Z: 18 71.334 2.534 1.600 0.929 1.000 0.706 CB 1.838 18 residues pruned to eliminate duplicates Z: 28 43.585 2.447 0.636 0.863 0.815 0.630 CA 1.886 28 residues pruned to eliminate duplicates Z: 17 51.022 2.395 1.359 0.894 1.000 0.562 CB 1.620 17 residues pruned to eliminate duplicates Z: 19 34.136 2.353 0.864 0.830 0.944 0.500 CB 1.460 Z: 23 42.577 2.381 0.923 0.787 0.909 0.636 CB 1.694 23 residues pruned to eliminate duplicates Z: 18 36.265 2.255 1.185 0.869 0.941 0.471 CB 1.385 18 residues pruned to eliminate duplicates Z: 29 48.516 2.286 0.877 0.878 0.893 0.750 CA 1.737 15 residues pruned to eliminate duplicates Z: 16 28.769 2.354 0.600 0.879 0.867 0.733 CB 1.651 16 residues pruned to eliminate duplicates Z: 22 59.737 2.505 1.232 0.879 0.952 0.762 CB 1.775 22 residues pruned to eliminate duplicates Z: 22 61.131 2.540 1.076 0.863 1.000 0.905 CA 1.856 22 residues pruned to eliminate duplicates Z: 21 40.417 2.201 1.157 0.870 0.850 0.600 CB 1.635 21 residues pruned to eliminate duplicates Z: 30 64.799 2.548 1.158 0.944 0.966 0.586 CB 1.569 30 residues pruned to eliminate duplicates Z: 25 72.408 2.560 1.163 0.928 0.958 0.458 CB 1.950 25 residues pruned to eliminate duplicates Z: 12 28.269 2.331 0.825 0.829 1.000 0.818 CB 1.507 12 residues pruned to eliminate duplicates Z: 25 59.759 2.495 0.838 0.926 1.000 0.875 CA 1.865 25 residues pruned to eliminate duplicates Z: 27 59.544 2.528 0.956 0.844 0.962 0.692 CB 1.828 27 residues pruned to eliminate duplicates Z: 77 76.113 2.508 0.882 0.648 0.934 0.658 CB 1.724 77 residues pruned to eliminate duplicates Z: 27 52.447 2.407 0.783 0.890 0.962 0.808 CA 1.793 27 residues pruned to eliminate duplicates Z: 11 35.274 2.382 1.256 0.914 0.800 0.400 CB 1.835 11 residues pruned to eliminate duplicates Z: 28 60.982 2.457 0.965 0.844 1.000 0.741 CB 1.809 28 residues pruned to eliminate duplicates Z: 22 59.660 2.503 1.117 0.855 1.000 0.714 CB 1.813 22 residues pruned to eliminate duplicates Z: 25 59.543 2.499 0.921 0.920 0.958 0.875 CA 1.860 25 residues pruned to eliminate duplicates Z: 33 51.827 2.384 0.832 0.878 0.969 0.844 CB 1.572 33 residues pruned to eliminate duplicates Z: 29 58.751 2.362 0.839 0.858 1.000 0.679 CA 1.882 29 residues pruned to eliminate duplicates Z: 25 65.008 2.473 1.159 0.869 0.958 0.792 CA 1.894 25 residues pruned to eliminate duplicates Z: 27 60.715 2.429 1.105 0.921 0.923 0.615 CB 1.775 27 residues pruned to eliminate duplicates Z: 19 35.250 2.225 0.900 0.875 1.000 0.778 CB 1.429 19 residues pruned to eliminate duplicates Z: 22 57.377 2.492 1.038 0.888 1.000 0.714 CB 1.776 22 residues pruned to eliminate duplicates Z: 12 25.682 2.401 0.720 0.806 0.909 0.636 CA 1.578 12 residues pruned to eliminate duplicates Z: 15 26.290 2.159 0.806 0.916 0.929 0.786 CB 1.370 15 residues pruned to eliminate duplicates Z: 14 51.290 2.422 1.299 0.942 1.000 0.385 CB 1.771 14 residues pruned to eliminate duplicates Z: 7 9.462 1.959 0.175 0.864 1.000 0.833 CB 1.230 7 residues pruned to eliminate duplicates Z: 32 75.247 2.459 1.487 0.940 1.000 0.290 CB 1.535 32 residues pruned to eliminate duplicates Z: 27 69.605 2.483 1.228 0.890 0.962 0.769 CA 1.845 27 residues pruned to eliminate duplicates Z: 36 63.970 2.518 1.044 0.664 1.000 0.657 CB 1.805 36 residues pruned to eliminate duplicates Z: 29 53.356 2.322 1.035 0.895 0.929 0.821 CB 1.648 29 residues pruned to eliminate duplicates Z: 26 55.046 2.471 0.839 0.897 0.920 0.840 CA 1.884 26 residues pruned to eliminate duplicates Z: 27 56.190 2.526 0.870 0.863 0.923 0.692 CB 1.854 27 residues pruned to eliminate duplicates Z: 10 31.503 2.458 0.902 0.760 1.000 0.667 CA 1.783 10 residues pruned to eliminate duplicates Z: 26 65.628 2.455 1.013 0.945 1.000 0.720 CB 1.839 26 residues pruned to eliminate duplicates Z: 22 59.534 2.491 1.117 0.894 1.000 0.762 CA 1.767 22 residues pruned to eliminate duplicates Z: 28 61.561 2.484 1.071 0.832 0.926 0.704 CB 1.868 28 residues pruned to eliminate duplicates Z: 29 54.880 2.429 0.857 0.850 0.929 0.679 CA 1.834 29 residues pruned to eliminate duplicates Z: 185 134.386 2.493 1.120 0.706 0.924 0.614 CB 1.683 116 residues pruned to eliminate duplicates Z: 20 32.621 2.283 0.708 0.835 0.947 0.632 CB 1.517 20 residues pruned to eliminate duplicates Z: 28 62.005 2.402 1.282 0.909 0.926 0.407 CB 1.668 28 residues pruned to eliminate duplicates Z: 18 38.813 2.319 1.002 0.851 1.000 0.647 CB 1.501 19 residues pruned to eliminate duplicates Z: 32 76.410 2.495 1.509 0.909 0.968 0.516 CB 1.608 32 residues pruned to eliminate duplicates Z: 7 12.961 1.970 0.427 0.779 1.000 0.667 CB 1.472 7 residues pruned to eliminate duplicates Z: 27 72.125 2.545 1.373 0.928 0.962 0.769 CB 1.705 27 residues pruned to eliminate duplicates Z: 33 72.230 2.420 1.433 0.900 0.969 0.594 CB 1.599 33 residues pruned to eliminate duplicates Z: 17 35.872 2.401 0.912 0.875 1.000 0.625 CB 1.421 17 residues pruned to eliminate duplicates Z: 13 52.612 2.542 1.493 0.924 1.000 0.667 CB 1.683 13 residues pruned to eliminate duplicates Z: 25 62.864 2.541 0.872 0.926 1.000 0.958 CA 1.892 25 residues pruned to eliminate duplicates Z: 28 50.304 2.415 0.950 0.871 0.815 0.630 CB 1.840 28 residues pruned to eliminate duplicates Z: 185 141.916 2.514 1.052 0.713 0.973 0.658 CB 1.719 97 residues pruned to eliminate duplicates Z: 11 34.113 2.496 0.969 0.812 1.000 0.500 CB 1.674 11 residues pruned to eliminate duplicates Z: 26 69.142 2.601 1.282 0.956 0.960 0.720 CB 1.667 26 residues pruned to eliminate duplicates Z: 29 75.445 2.536 1.435 0.950 1.000 0.393 CB 1.592 29 residues pruned to eliminate duplicates Z: 29 58.853 2.346 1.109 0.868 1.000 0.750 CB 1.643 29 residues pruned to eliminate duplicates Z: 22 61.247 2.526 1.137 0.884 1.000 0.810 CB 1.788 22 residues pruned to eliminate duplicates Z: 20 56.338 2.586 1.055 0.889 1.000 0.684 CB 1.752 20 residues pruned to eliminate duplicates Z: 25 72.818 2.493 1.244 0.939 1.000 0.625 CB 1.847 25 residues pruned to eliminate duplicates Z: 20 32.237 2.259 0.821 0.805 0.947 0.632 CB 1.454 20 residues pruned to eliminate duplicates Z: 20 40.010 2.214 1.066 0.875 1.000 0.789 CB 1.459 18 residues pruned to eliminate duplicates Z: 28 54.861 2.486 0.935 0.847 0.926 0.630 CB 1.760 28 residues pruned to eliminate duplicates Z: 19 57.036 2.380 1.470 0.873 0.944 0.389 CB 1.764 19 residues pruned to eliminate duplicates Z: 12 36.219 2.508 0.809 0.911 1.000 0.909 CA 1.706 12 residues pruned to eliminate duplicates Z: 26 75.776 2.495 1.545 0.905 0.920 0.240 CB 1.847 26 residues pruned to eliminate duplicates Z: 27 47.857 2.455 0.824 0.802 0.923 0.769 CB 1.743 27 residues pruned to eliminate duplicates Z: 19 58.231 2.555 1.545 0.951 0.944 0.500 CB 1.541 19 residues pruned to eliminate duplicates Z: 18 25.914 2.322 0.617 0.860 0.824 0.412 CB 1.494 18 residues pruned to eliminate duplicates Z: 13 32.855 2.405 0.971 0.840 0.917 0.833 CB 1.629 13 residues pruned to eliminate duplicates Z: 27 76.775 2.551 1.243 0.951 1.000 0.769 CB 1.813 27 residues pruned to eliminate duplicates Z: 28 56.669 2.356 0.949 0.879 0.963 0.704 CB 1.788 28 residues pruned to eliminate duplicates Z: 28 69.598 2.456 1.423 0.928 0.963 0.556 CB 1.637 28 residues pruned to eliminate duplicates Z: 26 57.796 2.463 0.923 0.904 0.960 0.880 CA 1.811 26 residues pruned to eliminate duplicates Z: 7 9.972 2.005 0.725 0.806 1.000 0.500 CB 0.901 Z: 18 69.763 2.517 1.537 0.932 1.000 0.824 CB 1.850 18 residues pruned to eliminate duplicates Z: 18 33.550 2.314 1.030 0.837 0.882 0.529 CB 1.468 18 residues pruned to eliminate duplicates Z: 28 66.183 2.366 1.265 0.920 0.963 0.519 CB 1.738 28 residues pruned to eliminate duplicates Z: 7 13.551 1.921 0.695 0.755 1.000 0.667 CB 1.354 Z: 25 86.133 2.607 1.376 0.936 0.958 0.625 CB 2.063 25 residues pruned to eliminate duplicates Z: 22 47.725 2.392 1.177 0.886 0.905 0.571 CB 1.594 22 residues pruned to eliminate duplicates Z: 32 71.867 2.476 1.350 0.949 1.000 0.774 CB 1.531 32 residues pruned to eliminate duplicates Z: 26 78.204 2.474 1.501 0.935 0.960 0.760 CB 1.835 26 residues pruned to eliminate duplicates Z: 20 47.829 2.576 0.879 0.947 1.000 0.947 CB 1.568 20 residues pruned to eliminate duplicates Z: 19 58.082 2.449 1.362 0.901 0.944 0.722 CB 1.789 19 residues pruned to eliminate duplicates Z: 145 123.073 2.506 1.099 0.694 0.951 0.722 CB 1.717 143 residues pruned to eliminate duplicates Z: 33 60.815 2.389 1.096 0.874 1.000 0.656 CB 1.562 33 residues pruned to eliminate duplicates Z: 30 66.157 2.485 1.354 0.910 0.966 0.690 CB 1.543 30 residues pruned to eliminate duplicates Z: 28 63.803 2.416 1.131 0.931 0.963 0.630 CB 1.731 28 residues pruned to eliminate duplicates Z: 12 25.577 2.229 1.241 0.691 0.909 0.636 CA 1.425 20 residues pruned to eliminate duplicates Z: 25 81.292 2.564 1.446 0.950 0.958 0.500 CB 1.903 25 residues pruned to eliminate duplicates Z: 31 78.095 2.497 1.537 0.950 1.000 0.367 CB 1.552 31 residues pruned to eliminate duplicates Z: 22 58.450 2.448 1.185 0.885 0.952 0.476 CA 1.809 22 residues pruned to eliminate duplicates Z: 13 27.787 2.064 1.079 0.811 1.000 0.750 CB 1.427 13 residues pruned to eliminate duplicates Z: 12 27.334 2.458 0.582 0.854 0.909 0.727 CB 1.721 12 residues pruned to eliminate duplicates Z: 21 33.310 2.144 0.978 0.797 1.000 0.550 CB 1.354 21 residues pruned to eliminate duplicates Z: 29 53.652 2.402 0.772 0.825 1.000 0.643 CA 1.797 29 residues pruned to eliminate duplicates Z: 15 44.882 2.519 0.824 0.928 1.000 0.929 CA 1.828 15 residues pruned to eliminate duplicates Z: 170 145.991 2.532 1.193 0.732 0.953 0.615 CB 1.724 170 residues pruned to eliminate duplicates Z: 27 62.081 2.502 0.973 0.924 1.000 0.808 CB 1.732 27 residues pruned to eliminate duplicates Z: 26 82.401 2.556 1.349 0.957 0.960 0.720 CA 1.962 26 residues pruned to eliminate duplicates Z: 22 59.731 2.441 1.445 0.936 0.952 0.333 CB 1.596 22 residues pruned to eliminate duplicates Z: 23 55.386 2.423 1.122 0.858 1.000 0.727 CA 1.691 23 residues pruned to eliminate duplicates Z: 10 20.896 2.030 1.022 0.879 1.000 0.778 CB 1.231 10 residues pruned to eliminate duplicates Z: 22 61.479 2.523 1.111 0.898 1.000 0.905 CB 1.802 22 residues pruned to eliminate duplicates Z: 144 128.090 2.536 1.113 0.700 0.958 0.713 CB 1.739 144 residues pruned to eliminate duplicates Z: 27 54.877 2.492 0.917 0.859 0.962 0.808 CB 1.724 27 residues pruned to eliminate duplicates Z: 28 58.445 2.399 0.876 0.916 1.000 0.630 CB 1.765 28 residues pruned to eliminate duplicates Z: 142 144.594 2.563 1.310 0.717 0.986 0.603 CB 1.715 144 residues pruned to eliminate duplicates Z: 18 65.061 2.514 1.575 0.929 0.941 0.588 CB 1.811 18 residues pruned to eliminate duplicates Z: 12 18.784 2.013 0.668 0.850 0.818 0.818 CA 1.528 12 residues pruned to eliminate duplicates Z: 28 60.690 2.403 1.106 0.856 0.963 0.741 CB 1.768 28 residues pruned to eliminate duplicates Z: 22 58.566 2.457 1.243 0.862 0.952 0.667 CB 1.788 22 residues pruned to eliminate duplicates Z: 25 73.089 2.565 1.375 0.950 0.958 0.708 CB 1.762 25 residues pruned to eliminate duplicates Z: 10 37.274 2.510 0.913 0.913 1.000 0.889 CB 1.831 10 residues pruned to eliminate duplicates Z: 28 59.524 2.347 1.173 0.912 0.926 0.481 CB 1.718 28 residues pruned to eliminate duplicates Z: 24 66.883 2.591 0.900 0.943 1.000 1.000 CB 1.963 24 residues pruned to eliminate duplicates Z: 28 60.130 2.387 0.945 0.922 1.000 0.778 CB 1.754 28 residues pruned to eliminate duplicates Z: 22 45.108 2.404 0.865 0.874 0.952 0.667 CA 1.678 22 residues pruned to eliminate duplicates Z: 25 67.238 2.528 1.002 0.925 1.000 0.917 CB 1.904 25 residues pruned to eliminate duplicates Z: 27 78.221 2.564 1.488 0.954 0.962 0.538 CB 1.720 27 residues pruned to eliminate duplicates Z: 6 9.054 2.012 0.224 0.781 1.000 0.800 CB 1.283 6 residues pruned to eliminate duplicates Z: 7 8.478 2.033 0.230 0.703 0.833 0.667 CB 1.381 7 residues pruned to eliminate duplicates Z: 18 34.185 2.350 0.686 0.860 1.000 0.765 CB 1.539 18 residues pruned to eliminate duplicates Z: 181 136.732 2.505 1.041 0.699 0.950 0.706 CB 1.749 181 residues pruned to eliminate duplicates Z: 15 33.463 2.285 0.850 0.868 0.857 0.571 CA 1.804 15 residues pruned to eliminate duplicates Z: 8 3.972 1.903 0.476 0.343 0.714 0.429 CB 0.887 8 residues pruned to eliminate duplicates Z: 25 77.799 2.507 1.556 0.933 1.000 0.625 CB 1.729 25 residues pruned to eliminate duplicates Z: 28 53.050 2.344 0.867 0.910 0.963 0.630 CB 1.719 28 residues pruned to eliminate duplicates Z: 28 53.984 2.384 1.027 0.854 0.889 0.556 CB 1.786 28 residues pruned to eliminate duplicates Z: 142 143.073 2.550 1.334 0.712 0.979 0.539 CB 1.707 142 residues pruned to eliminate duplicates Z: 32 50.407 2.421 0.582 0.910 1.000 0.968 CB 1.676 32 residues pruned to eliminate duplicates Z: 27 79.605 2.476 1.423 0.945 1.000 0.538 CB 1.802 27 residues pruned to eliminate duplicates Z: 17 30.158 2.132 0.745 0.762 0.938 0.625 CB 1.713 17 residues pruned to eliminate duplicates Z: 24 76.165 2.516 1.713 0.958 0.913 0.435 CB 1.748 24 residues pruned to eliminate duplicates Z: 16 41.336 2.432 0.865 0.863 0.933 0.667 CB 1.849 16 residues pruned to eliminate duplicates Z: 18 35.682 2.419 0.931 0.812 0.941 0.706 CB 1.500 18 residues pruned to eliminate duplicates Z: 27 55.725 2.512 1.119 0.822 0.923 0.500 CB 1.683 27 residues pruned to eliminate duplicates Z: 25 66.497 2.528 1.143 0.918 0.958 0.792 CA 1.844 25 residues pruned to eliminate duplicates Z: 20 38.169 2.234 1.161 0.819 0.947 0.632 CB 1.452 20 residues pruned to eliminate duplicates Z: 12 26.376 2.162 0.997 0.856 1.000 0.636 CB 1.358 12 residues pruned to eliminate duplicates Z: 22 65.950 2.606 0.964 0.942 1.000 0.857 CB 1.950 22 residues pruned to eliminate duplicates Z: 132 131.980 2.549 1.256 0.738 0.931 0.641 CB 1.739 132 residues pruned to eliminate duplicates Z: 28 61.525 2.366 1.262 0.901 0.926 0.556 CB 1.706 28 residues pruned to eliminate duplicates Z: 181 143.190 2.498 1.171 0.697 0.961 0.572 CB 1.711 181 residues pruned to eliminate duplicates Z: 32 77.136 2.471 1.635 0.951 0.935 0.484 CB 1.567 32 residues pruned to eliminate duplicates Z: 30 74.407 2.528 1.558 0.951 0.897 0.310 CB 1.642 30 residues pruned to eliminate duplicates Z: 27 60.103 2.449 0.888 0.920 0.962 0.731 CB 1.867 27 residues pruned to eliminate duplicates Z: 10 16.583 2.402 0.414 0.705 0.778 0.667 CB 1.736 10 residues pruned to eliminate duplicates Z: 28 67.839 2.450 1.552 0.906 0.926 0.556 CB 1.604 28 residues pruned to eliminate duplicates Z: 22 52.556 2.494 1.104 0.823 0.905 0.762 CA 1.826 22 residues pruned to eliminate duplicates Z: 31 65.292 2.506 1.036 0.949 0.967 0.833 CB 1.667 31 residues pruned to eliminate duplicates Z: 27 62.669 2.517 1.158 0.841 0.962 0.577 CB 1.755 27 residues pruned to eliminate duplicates Z: 19 44.037 2.470 0.710 0.951 1.000 1.000 CB 1.693 19 residues pruned to eliminate duplicates Z: 36 54.062 2.484 0.927 0.617 0.971 0.600 CB 1.759 36 residues pruned to eliminate duplicates Z: 25 62.167 2.578 1.121 0.943 0.958 0.792 CB 1.678 25 residues pruned to eliminate duplicates Z: 27 59.679 2.445 0.951 0.916 0.923 0.769 CB 1.878 27 residues pruned to eliminate duplicates Z: 29 49.265 2.296 0.747 0.922 0.964 0.821 CB 1.693 29 residues pruned to eliminate duplicates Z: 11 26.294 2.291 0.622 0.880 0.900 0.800 CB 1.802 11 residues pruned to eliminate duplicates Z: 182 145.808 2.536 1.108 0.680 0.978 0.619 CB 1.757 156 residues pruned to eliminate duplicates Z: 145 130.905 2.555 1.156 0.702 0.972 0.660 CB 1.694 145 residues pruned to eliminate duplicates Z: 26 47.599 2.320 0.716 0.931 0.920 0.840 CA 1.816 26 residues pruned to eliminate duplicates Z: 180 141.223 2.509 1.137 0.695 0.961 0.564 CB 1.715 180 residues pruned to eliminate duplicates Z: 10 44.008 2.629 1.264 0.869 1.000 0.778 CB 1.800 10 residues pruned to eliminate duplicates Z: 28 55.497 2.471 1.043 0.814 0.926 0.630 CB 1.739 28 residues pruned to eliminate duplicates Z: 28 44.895 2.249 0.606 0.920 1.000 0.852 CB 1.685 28 residues pruned to eliminate duplicates Z: 11 31.358 2.361 1.023 0.822 1.000 0.800 CB 1.571 11 residues pruned to eliminate duplicates Z: 19 34.033 2.305 0.914 0.816 0.944 0.667 CB 1.463 Z: 27 73.917 2.444 1.315 0.931 0.962 0.615 CB 1.862 27 residues pruned to eliminate duplicates Z: 31 55.887 2.496 0.795 0.924 0.967 0.567 CB 1.655 31 residues pruned to eliminate duplicates Z: 27 58.346 2.505 0.990 0.918 1.000 0.808 CB 1.619 27 residues pruned to eliminate duplicates Z: 6 7.476 2.072 0.066 0.657 0.800 0.400 CB 1.635 6 residues pruned to eliminate duplicates Z: 19 26.976 2.271 0.930 0.814 0.667 0.500 CB 1.656 19 residues pruned to eliminate duplicates Z: 183 136.816 2.528 0.976 0.676 0.956 0.703 CB 1.806 153 residues pruned to eliminate duplicates Z: 10 39.535 2.564 1.099 0.803 1.000 0.667 CB 1.879 10 residues pruned to eliminate duplicates Z: 21 54.834 2.555 0.919 0.881 0.950 0.750 CB 1.906 21 residues pruned to eliminate duplicates Z: 27 69.986 2.521 1.520 0.935 0.962 0.577 CB 1.566 27 residues pruned to eliminate duplicates Z: 27 72.114 2.523 1.338 0.936 1.000 0.615 CB 1.669 27 residues pruned to eliminate duplicates Z: 30 59.161 2.530 0.808 0.948 1.000 0.897 CB 1.659 30 residues pruned to eliminate duplicates Z: 6 4.047 1.453 0.947 0.404 0.800 0.200 N 0.885 Z: 6 8.142 2.082 0.603 0.573 0.800 0.800 CA 1.271 6 residues pruned to eliminate duplicates Z: 143 141.429 2.553 1.316 0.703 0.965 0.662 CB 1.730 143 residues pruned to eliminate duplicates Z: 21 62.075 2.563 1.096 0.882 1.000 0.700 CB 1.869 21 residues pruned to eliminate duplicates Z: 8 7.330 1.408 0.312 0.828 1.000 0.857 CB 1.129 7 residues pruned to eliminate duplicates Z: 17 30.377 2.417 0.740 0.583 0.938 0.500 CB 1.779 17 residues pruned to eliminate duplicates Z: 28 42.452 2.427 0.935 0.824 0.778 0.556 CB 1.690 28 residues pruned to eliminate duplicates Z: 183 143.939 2.496 1.135 0.706 0.973 0.621 CB 1.707 163 residues pruned to eliminate duplicates Z: 28 59.782 2.423 1.098 0.859 0.963 0.519 CB 1.730 28 residues pruned to eliminate duplicates Z: 62 72.617 2.467 1.004 0.706 0.918 0.607 CB 1.699 108 residues pruned to eliminate duplicates Z: 13 22.421 2.197 0.784 0.807 1.000 0.667 CB 1.264 12 residues pruned to eliminate duplicates Z: 182 151.033 2.529 1.249 0.691 0.956 0.536 CB 1.734 145 residues pruned to eliminate duplicates Z: 21 39.098 2.254 0.924 0.903 0.900 0.700 CB 1.596 21 residues pruned to eliminate duplicates Z: 24 73.694 2.635 1.164 0.905 0.957 0.609 CB 2.005 Z: 184 143.472 2.518 1.150 0.706 0.945 0.623 CB 1.718 184 residues pruned to eliminate duplicates Z: 13 29.974 2.161 1.079 0.806 1.000 0.667 CA 1.475 13 residues pruned to eliminate duplicates Z: 89 103.657 2.529 1.079 0.766 0.966 0.784 CB 1.719 47 residues pruned to eliminate duplicates Z: 90 85.357 2.427 1.039 0.675 0.921 0.607 CB 1.688 90 residues pruned to eliminate duplicates Z: 138 99.588 2.421 1.006 0.654 0.927 0.664 CB 1.639 138 residues pruned to eliminate duplicates Z: 181 139.082 2.517 1.037 0.712 0.950 0.700 CB 1.755 181 residues pruned to eliminate duplicates Z: 8 13.832 2.157 0.390 0.896 1.000 1.000 CB 1.250 Z: 28 54.121 2.416 0.919 0.833 0.926 0.481 CB 1.820 34 residues pruned to eliminate duplicates Z: 104 106.775 2.510 0.990 0.796 0.942 0.738 CB 1.726 104 residues pruned to eliminate duplicates Z: 19 38.760 2.233 1.021 0.879 1.000 0.667 CB 1.468 Z: 93 99.216 2.459 1.031 0.737 0.967 0.620 CB 1.732 112 residues pruned to eliminate duplicates Z: 8 8.723 1.795 0.769 0.613 0.714 0.429 CB 1.306 8 residues pruned to eliminate duplicates Z: 27 74.894 2.422 1.596 0.953 1.000 0.731 CB 1.607 27 residues pruned to eliminate duplicates Z: 6 8.286 1.874 0.882 0.790 0.800 0.600 CB 1.018 6 residues pruned to eliminate duplicates Z: 27 56.652 2.381 1.313 0.902 0.808 0.462 CB 1.781 Z: 7 4.676 1.595 0.593 0.331 0.833 0.333 CB 1.085 Z: 19 40.743 2.360 0.964 0.804 1.000 0.556 CB 1.589 Z: 28 59.770 2.432 1.195 0.931 1.000 0.741 CB 1.505 28 residues pruned to eliminate duplicates Z: 27 69.339 2.432 1.213 0.920 1.000 0.654 CB 1.779 27 residues pruned to eliminate duplicates Z: 180 144.621 2.492 1.167 0.702 0.961 0.648 CB 1.733 170 residues pruned to eliminate duplicates Z: 11 16.301 2.021 0.611 0.832 0.900 0.800 CB 1.320 11 residues pruned to eliminate duplicates Z: 6 5.564 2.000 0.239 0.547 0.600 0.600 O 1.598 6 residues pruned to eliminate duplicates Z: 26 63.211 2.500 0.918 0.942 0.960 0.840 CA 1.904 25 residues pruned to eliminate duplicates Z: 26 71.290 2.515 1.113 0.935 1.000 0.960 CA 1.870 25 residues pruned to eliminate duplicates Z: 10 26.391 2.152 0.944 0.867 1.000 0.667 CB 1.539 10 residues pruned to eliminate duplicates Z: 25 54.819 2.474 0.716 0.930 1.000 0.958 CB 1.844 25 residues pruned to eliminate duplicates Z: 10 19.692 2.112 0.802 0.762 0.889 0.333 CB 1.538 10 residues pruned to eliminate duplicates Z: 7 6.702 1.583 0.611 0.628 0.833 0.333 CB 1.141 Z: 18 51.357 2.331 1.455 0.904 0.882 0.588 CB 1.757 18 residues pruned to eliminate duplicates Z: 18 59.099 2.491 1.172 0.938 1.000 0.941 CB 1.842 18 residues pruned to eliminate duplicates Z: 14 27.931 2.434 0.646 0.806 0.923 0.615 CB 1.604 14 residues pruned to eliminate duplicates Z: 18 51.349 2.416 1.239 0.880 0.941 0.529 CB 1.773 18 residues pruned to eliminate duplicates Z: 71 92.503 2.559 1.067 0.741 0.971 0.743 CB 1.734 71 residues pruned to eliminate duplicates Z: 100 107.844 2.551 1.095 0.761 0.939 0.768 CB 1.712 100 residues pruned to eliminate duplicates Z: 28 50.314 2.313 1.199 0.884 0.815 0.481 CB 1.687 28 residues pruned to eliminate duplicates Z: 17 67.727 2.516 1.783 0.906 0.938 0.688 CB 1.835 17 residues pruned to eliminate duplicates Z: 183 137.331 2.517 0.980 0.714 0.973 0.670 CB 1.731 183 residues pruned to eliminate duplicates Z: 99 91.725 2.523 0.934 0.597 0.969 0.612 CB 1.786 99 residues pruned to eliminate duplicates 6 0.249 1.794 0.140 0.488 0.800 0.600 CB 0.069 ? Z: 218 166.463 2.523 1.191 0.732 0.963 0.618 CB 1.723 218 residues pruned to eliminate duplicates Z: 147 138.721 2.515 1.244 0.736 0.966 0.616 CB 1.704 147 residues pruned to eliminate duplicates Z: 26 65.835 2.408 1.248 0.922 0.960 0.720 CB 1.781 26 residues pruned to eliminate duplicates Z: 65 63.059 2.380 0.901 0.563 0.922 0.516 CB 1.778 62 residues pruned to eliminate duplicates Z: 19 28.161 2.153 0.680 0.844 0.944 0.778 CB 1.446 19 residues pruned to eliminate duplicates Z: 22 54.247 2.437 1.439 0.879 0.952 0.667 CB 1.516 22 residues pruned to eliminate duplicates Z: 38 51.595 2.428 0.991 0.660 0.892 0.703 CB 1.696 21 residues pruned to eliminate duplicates Z: 104 108.431 2.498 1.076 0.747 0.971 0.689 CB 1.702 104 residues pruned to eliminate duplicates Z: 18 50.016 2.443 1.083 0.939 0.941 0.706 CB 1.759 18 residues pruned to eliminate duplicates Z: 31 64.114 2.478 1.356 0.936 0.933 0.633 CB 1.495 31 residues pruned to eliminate duplicates Z: 28 55.198 2.402 1.001 0.804 0.963 0.667 CA 1.760 28 residues pruned to eliminate duplicates Z: 18 29.656 2.319 0.515 0.885 1.000 1.000 CB 1.478 17 residues pruned to eliminate duplicates Z: 13 8.571 1.873 0.507 0.282 0.833 0.500 CB 1.345 13 residues pruned to eliminate duplicates Z: 22 71.105 2.527 1.352 0.882 1.000 0.714 CA 1.889 22 residues pruned to eliminate duplicates Z: 8 4.727 1.633 0.664 0.511 0.714 0.429 N 0.911 8 residues pruned to eliminate duplicates Z: 28 52.412 2.510 0.800 0.810 0.926 0.852 CA 1.841 28 residues pruned to eliminate duplicates Z: 20 39.829 2.249 1.024 0.793 1.000 0.579 CB 1.552 20 residues pruned to eliminate duplicates Z: 13 34.405 2.465 1.128 0.936 0.917 0.500 CB 1.439 14 residues pruned to eliminate duplicates Z: 176 140.605 2.484 1.135 0.702 0.966 0.646 CB 1.727 176 residues pruned to eliminate duplicates Z: 41 35.691 2.253 0.751 0.486 0.900 0.625 CB 1.611 41 residues pruned to eliminate duplicates Z: 55 78.754 2.440 1.074 0.694 0.981 0.685 CB 1.807 55 residues pruned to eliminate duplicates Z: 18 19.614 2.109 0.776 0.461 0.824 0.471 CB 1.605 18 residues pruned to eliminate duplicates Z: 9 11.152 1.850 0.731 0.373 1.000 0.375 CB 1.410 9 residues pruned to eliminate duplicates Z: 8 8.294 1.683 0.492 0.808 1.000 0.857 CB 0.955 8 residues pruned to eliminate duplicates Z: 6 3.632 1.861 -0.073 0.417 0.800 0.400 CB 1.283 Z: 30 72.196 2.552 1.231 0.921 0.966 0.793 CB 1.716 30 residues pruned to eliminate duplicates Z: 162 145.107 2.519 1.236 0.698 0.963 0.609 CB 1.760 162 residues pruned to eliminate duplicates Z: 44 89.803 2.628 1.277 0.760 1.000 0.744 CB 1.817 44 residues pruned to eliminate duplicates Z: 160 126.323 2.473 1.134 0.689 0.956 0.522 CB 1.671 160 residues pruned to eliminate duplicates Z: 25 68.277 2.587 1.462 0.944 0.958 0.750 CB 1.581 25 residues pruned to eliminate duplicates Z: 18 30.716 2.228 0.912 0.881 0.882 0.353 CB 1.435 18 residues pruned to eliminate duplicates Z: 18 37.262 2.249 1.114 0.868 1.000 0.412 CB 1.390 18 residues pruned to eliminate duplicates Z: 25 70.561 2.468 1.402 0.920 0.958 0.500 CB 1.785 27 residues pruned to eliminate duplicates Z: 35 63.685 2.570 1.141 0.774 0.941 0.735 CB 1.656 35 residues pruned to eliminate duplicates Z: 10 38.278 2.491 1.003 0.895 1.000 1.000 CB 1.834 10 residues pruned to eliminate duplicates Z: 11 33.348 2.360 1.010 0.906 1.000 0.700 CB 1.581 11 residues pruned to eliminate duplicates Z: 21 27.988 2.103 1.074 0.785 0.850 0.400 CB 1.313 21 residues pruned to eliminate duplicates Z: 76 112.871 2.567 1.440 0.734 0.987 0.587 CB 1.709 76 residues pruned to eliminate duplicates Z: 171 148.565 2.533 1.182 0.712 0.959 0.612 CB 1.774 171 residues pruned to eliminate duplicates Z: 14 33.091 2.265 0.701 0.918 1.000 0.923 CA 1.680 14 residues pruned to eliminate duplicates Z: 6 11.106 1.968 0.603 0.769 1.000 0.800 CA 1.241 Z: 15 33.198 2.409 1.040 0.877 0.929 0.500 CB 1.412 15 residues pruned to eliminate duplicates Z: 44 47.378 2.418 0.783 0.660 0.860 0.581 CB 1.678 44 residues pruned to eliminate duplicates Z: 31 58.345 2.518 0.927 0.776 0.967 0.600 CB 1.781 37 residues pruned to eliminate duplicates Z: 207 161.122 2.535 1.201 0.694 0.976 0.568 CB 1.727 225 residues pruned to eliminate duplicates Z: 47 75.950 2.441 1.138 0.811 0.957 0.696 CB 1.711 27 residues pruned to eliminate duplicates Z: 17 70.543 2.481 1.685 0.920 1.000 0.250 CB 1.864 17 residues pruned to eliminate duplicates Z: 20 40.936 2.311 0.948 0.810 1.000 0.632 CB 1.592 20 residues pruned to eliminate duplicates Z: 18 34.096 2.290 1.128 0.898 0.882 0.529 CB 1.376 21 residues pruned to eliminate duplicates Z: 20 36.877 2.243 1.016 0.787 0.947 0.526 CB 1.534 20 residues pruned to eliminate duplicates Z: 91 81.625 2.488 0.846 0.635 0.956 0.744 CB 1.727 27 residues pruned to eliminate duplicates Z: 26 60.155 2.344 1.545 0.893 0.960 0.480 CB 1.508 26 residues pruned to eliminate duplicates Z: 177 150.651 2.562 1.208 0.679 0.966 0.608 CB 1.762 186 residues pruned to eliminate duplicates Z: 26 63.362 2.446 1.055 0.898 1.000 0.800 CA 1.803 26 residues pruned to eliminate duplicates Z: 19 38.289 2.242 1.095 0.867 0.944 0.611 CB 1.488 19 residues pruned to eliminate duplicates Z: 92 99.227 2.454 1.096 0.728 0.967 0.692 CB 1.703 112 residues pruned to eliminate duplicates Z: 180 125.896 2.508 0.949 0.678 0.944 0.698 CB 1.730 180 residues pruned to eliminate duplicates Z: 22 60.292 2.513 1.213 0.886 0.952 0.857 CA 1.793 22 residues pruned to eliminate duplicates Z: 18 32.692 2.235 0.653 0.859 1.000 0.882 CB 1.579 18 residues pruned to eliminate duplicates Z: 35 37.958 2.317 0.944 0.655 0.882 0.471 CB 1.418 35 residues pruned to eliminate duplicates Z: 9 19.601 2.204 0.752 0.775 0.875 0.500 CA 1.609 9 residues pruned to eliminate duplicates Z: 29 53.003 2.250 1.065 0.888 0.964 0.643 CB 1.610 29 residues pruned to eliminate duplicates Z: 182 146.739 2.502 1.159 0.694 0.978 0.608 CB 1.730 182 residues pruned to eliminate duplicates Z: 18 27.996 2.275 0.851 0.826 0.882 0.353 CB 1.379 Z: 18 36.632 2.304 0.826 0.861 1.000 0.765 CB 1.552 18 residues pruned to eliminate duplicates Z: 6 8.900 1.994 0.357 0.653 1.000 0.800 CB 1.276 Z: 32 55.488 2.425 0.861 0.951 0.935 0.871 CB 1.627 26 residues pruned to eliminate duplicates Z: 30 59.891 2.478 0.867 0.941 0.966 0.897 CB 1.728 30 residues pruned to eliminate duplicates Z: 11 16.879 2.054 0.694 0.861 0.800 0.500 CB 1.410 11 residues pruned to eliminate duplicates Z: 26 88.076 2.546 1.423 0.961 1.000 0.560 CA 1.954 26 residues pruned to eliminate duplicates Z: 6 2.257 1.489 0.251 0.298 0.600 0.400 CB 1.132 Z: 180 144.811 2.540 1.179 0.682 0.950 0.575 CB 1.743 169 residues pruned to eliminate duplicates Z: 6 7.084 1.733 0.744 0.653 1.000 1.000 CA 0.909 Z: 52 61.355 2.391 1.051 0.563 0.961 0.569 CB 1.716 52 residues pruned to eliminate duplicates Z: 174 137.200 2.542 1.034 0.697 0.960 0.694 CB 1.757 174 residues pruned to eliminate duplicates Z: 17 27.725 2.389 0.846 0.554 0.938 0.500 CB 1.591 17 residues pruned to eliminate duplicates Z: 11 37.338 2.464 0.994 0.835 1.000 0.700 CA 1.800 11 residues pruned to eliminate duplicates Z: 27 48.288 2.441 1.046 0.866 0.846 0.538 CB 1.641 27 residues pruned to eliminate duplicates Z: 58 98.900 2.645 1.112 0.818 1.000 0.912 CB 1.779 58 residues pruned to eliminate duplicates Z: 26 50.813 2.484 0.720 0.862 1.000 0.640 CB 1.747 26 residues pruned to eliminate duplicates Z: 19 50.537 2.292 1.434 0.906 0.889 0.389 CB 1.709 19 residues pruned to eliminate duplicates Z: 48 75.477 2.410 1.129 0.794 0.957 0.766 CB 1.732 48 residues pruned to eliminate duplicates Z: 7 9.125 1.671 0.640 0.842 1.000 0.833 CA 1.013 6 residues pruned to eliminate duplicates Z: 15 11.446 2.103 0.260 0.484 0.786 0.500 CB 1.494 15 residues pruned to eliminate duplicates Z: 47 74.394 2.413 1.107 0.794 0.978 0.804 CB 1.704 46 residues pruned to eliminate duplicates Z: 30 64.537 2.541 1.019 0.929 0.966 0.828 CB 1.693 30 residues pruned to eliminate duplicates Z: 10 21.170 2.347 0.707 0.874 0.889 0.667 CB 1.442 10 residues pruned to eliminate duplicates Z: 175 133.497 2.512 1.048 0.692 0.954 0.649 CB 1.729 175 residues pruned to eliminate duplicates Z: 33 59.187 2.541 0.852 0.803 1.000 0.938 CB 1.706 33 residues pruned to eliminate duplicates Z: 9 12.339 1.864 0.499 0.747 0.875 0.375 CA 1.430 9 residues pruned to eliminate duplicates Z: 27 54.463 2.470 1.161 0.737 0.923 0.615 CB 1.752 27 residues pruned to eliminate duplicates Z: 38 58.973 2.563 0.713 0.827 1.000 0.946 CB 1.664 38 residues pruned to eliminate duplicates Z: 10 37.087 2.499 1.127 0.896 1.000 1.000 CA 1.665 10 residues pruned to eliminate duplicates Z: 181 153.164 2.561 1.173 0.704 0.961 0.550 CB 1.772 142 residues pruned to eliminate duplicates Z: 22 59.406 2.482 1.108 0.874 1.000 0.810 CB 1.803 22 residues pruned to eliminate duplicates Z: 106 96.270 2.453 1.127 0.667 0.914 0.629 CB 1.688 106 residues pruned to eliminate duplicates Z: 27 22.056 2.180 0.593 0.413 0.885 0.538 CB 1.542 27 residues pruned to eliminate duplicates Z: 204 154.851 2.514 1.157 0.719 0.961 0.601 CB 1.712 204 residues pruned to eliminate duplicates Z: 143 127.969 2.553 1.097 0.711 0.944 0.711 CB 1.756 56 residues pruned to eliminate duplicates Z: 7 13.822 2.029 0.638 0.879 1.000 0.667 CB 1.231 7 residues pruned to eliminate duplicates Z: 179 146.165 2.540 1.165 0.675 0.961 0.506 CB 1.765 149 residues pruned to eliminate duplicates Z: 183 131.063 2.461 1.041 0.703 0.962 0.665 CB 1.673 189 residues pruned to eliminate duplicates Z: 52 58.952 2.362 0.762 0.772 0.961 0.804 CB 1.623 52 residues pruned to eliminate duplicates Z: 6 2.114 1.208 0.309 0.724 0.800 0.600 CB 0.610 Z: 7 12.279 1.989 0.782 0.572 0.833 0.833 N 1.583 Z: 29 52.262 2.520 0.931 0.596 0.964 0.571 CA 1.920 23 residues pruned to eliminate duplicates Z: 11 7.651 1.858 0.558 0.357 0.700 0.400 CB 1.393 11 residues pruned to eliminate duplicates Z: 21 19.849 2.265 0.862 0.353 0.800 0.400 CB 1.542 Z: 45 59.967 2.329 0.928 0.692 0.977 0.727 CB 1.727 45 residues pruned to eliminate duplicates Z: 160 138.955 2.540 1.132 0.740 0.931 0.654 CB 1.763 203 residues pruned to eliminate duplicates Z: 181 145.001 2.537 1.159 0.670 0.967 0.611 CB 1.744 181 residues pruned to eliminate duplicates Z: 18 30.157 2.261 0.818 0.866 0.941 0.824 CB 1.384 19 residues pruned to eliminate duplicates Z: 181 140.940 2.493 1.160 0.690 0.967 0.583 CB 1.696 205 residues pruned to eliminate duplicates Z: 17 51.372 2.558 1.117 0.926 1.000 0.500 CB 1.663 17 residues pruned to eliminate duplicates Z: 7 11.000 1.505 0.798 0.842 1.000 0.833 CA 1.237 Z: 91 97.986 2.545 1.101 0.708 0.944 0.544 CB 1.693 91 residues pruned to eliminate duplicates Z: 41 81.264 2.458 1.175 0.789 1.000 0.850 CB 1.865 41 residues pruned to eliminate duplicates Z: 24 61.309 2.594 0.949 0.880 1.000 0.783 CB 1.833 Z: 8 6.546 1.301 0.701 0.786 0.857 0.714 CB 1.015 8 residues pruned to eliminate duplicates Z: 31 43.047 2.420 0.900 0.646 0.967 0.500 CB 1.544 31 residues pruned to eliminate duplicates Z: 141 120.591 2.534 1.137 0.650 0.921 0.529 CB 1.776 39 residues pruned to eliminate duplicates Z: 184 150.339 2.558 1.185 0.710 0.945 0.601 CB 1.738 184 residues pruned to eliminate duplicates Z: 45 64.040 2.383 0.973 0.714 0.909 0.773 CB 1.860 45 residues pruned to eliminate duplicates Z: 7 9.683 1.865 0.488 0.817 1.000 0.667 CB 1.082 7 residues pruned to eliminate duplicates Z: 181 149.855 2.553 1.155 0.701 0.967 0.628 CB 1.748 181 residues pruned to eliminate duplicates Z: 21 31.094 2.151 0.882 0.806 0.900 0.750 CB 1.461 7 residues pruned to eliminate duplicates Z: 35 49.084 2.442 0.986 0.723 0.971 0.765 CB 1.462 35 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 28 61.562 2.369 1.134 0.920 0.963 0.741 CB 1.713 28 residues pruned to eliminate duplicates Z: 180 141.317 2.482 1.162 0.682 0.972 0.659 CB 1.713 150 residues pruned to eliminate duplicates Z: 30 59.969 2.319 1.123 0.873 1.000 0.517 CB 1.649 30 residues pruned to eliminate duplicates Z: 182 137.520 2.499 1.171 0.676 0.945 0.602 CB 1.696 182 residues pruned to eliminate duplicates Z: 87 117.595 2.536 1.299 0.777 0.988 0.628 CB 1.723 87 residues pruned to eliminate duplicates Z: 171 151.862 2.551 1.238 0.729 0.959 0.600 CB 1.732 171 residues pruned to eliminate duplicates Z: 214 158.979 2.521 1.156 0.727 0.958 0.657 CB 1.706 258 residues pruned to eliminate duplicates Z: 171 150.582 2.545 1.185 0.742 0.971 0.576 CB 1.722 171 residues pruned to eliminate duplicates Z: 180 143.480 2.526 1.137 0.699 0.961 0.659 CB 1.724 170 residues pruned to eliminate duplicates Z: 8 8.274 1.906 0.719 0.575 1.000 0.714 CB 0.888 8 residues pruned to eliminate duplicates Z: 170 148.287 2.534 1.185 0.715 0.976 0.645 CB 1.737 170 residues pruned to eliminate duplicates Z: 142 132.527 2.511 1.225 0.713 0.972 0.681 CB 1.695 142 residues pruned to eliminate duplicates Z: 142 133.259 2.511 1.231 0.705 0.972 0.688 CB 1.711 142 residues pruned to eliminate duplicates Z: 181 149.425 2.531 1.161 0.713 0.967 0.656 CB 1.737 192 residues pruned to eliminate duplicates Z: 17 64.114 2.467 1.495 0.895 1.000 0.750 CB 1.867 17 residues pruned to eliminate duplicates Z: 171 147.863 2.530 1.187 0.738 0.965 0.571 CB 1.715 171 residues pruned to eliminate duplicates Z: 186 138.205 2.490 1.133 0.702 0.941 0.589 CB 1.692 186 residues pruned to eliminate duplicates Z: 217 159.456 2.516 1.119 0.742 0.958 0.648 CB 1.709 217 residues pruned to eliminate duplicates Z: 230 166.189 2.508 1.149 0.721 0.965 0.620 CB 1.729 230 residues pruned to eliminate duplicates Z: 130 133.492 2.555 1.206 0.752 0.961 0.651 CB 1.732 130 residues pruned to eliminate duplicates Z: 172 145.773 2.549 1.179 0.739 0.942 0.591 CB 1.720 130 residues pruned to eliminate duplicates Z: 19 63.337 2.445 1.323 0.929 1.000 0.833 CB 1.840 19 residues pruned to eliminate duplicates Z: 202 144.317 2.484 1.133 0.689 0.950 0.587 CB 1.701 202 residues pruned to eliminate duplicates Z: 129 141.860 2.562 1.313 0.748 0.984 0.656 CB 1.722 129 residues pruned to eliminate duplicates Z: 160 130.236 2.502 1.098 0.715 0.956 0.629 CB 1.694 160 residues pruned to eliminate duplicates Z: 102 95.996 2.476 0.980 0.697 0.941 0.535 CB 1.730 102 residues pruned to eliminate duplicates Z: 211 148.668 2.484 1.142 0.690 0.967 0.595 CB 1.677 211 residues pruned to eliminate duplicates Z: 159 130.962 2.503 1.115 0.708 0.956 0.589 CB 1.705 159 residues pruned to eliminate duplicates Z: 184 143.858 2.519 1.169 0.690 0.951 0.607 CB 1.720 184 residues pruned to eliminate duplicates Z: 183 147.468 2.530 1.190 0.709 0.945 0.632 CB 1.727 183 residues pruned to eliminate duplicates Z: 46 58.886 2.464 0.966 0.699 0.911 0.644 CB 1.660 46 residues pruned to eliminate duplicates Z: 45 54.504 2.485 0.927 0.609 0.886 0.614 CB 1.747 45 residues pruned to eliminate duplicates Z: 20 36.308 2.417 0.858 0.737 0.895 0.632 CB 1.675 20 residues pruned to eliminate duplicates Z: 46 59.306 2.510 0.906 0.682 0.933 0.622 CB 1.675 46 residues pruned to eliminate duplicates Z: 185 138.585 2.489 1.196 0.692 0.929 0.560 CB 1.687 185 residues pruned to eliminate duplicates Z: 46 59.525 2.474 1.014 0.672 0.911 0.600 CB 1.668 46 residues pruned to eliminate duplicates Z: 171 151.720 2.529 1.255 0.731 0.976 0.588 CB 1.698 172 residues pruned to eliminate duplicates Z: 28 56.379 2.427 1.080 0.837 0.889 0.741 CA 1.808 28 residues pruned to eliminate duplicates Z: 185 151.624 2.520 1.216 0.704 0.967 0.587 CB 1.719 185 residues pruned to eliminate duplicates Z: 184 146.819 2.521 1.164 0.709 0.962 0.590 CB 1.711 184 residues pruned to eliminate duplicates Z: 28 58.657 2.455 0.869 0.881 1.000 0.741 CB 1.781 28 residues pruned to eliminate duplicates Z: 45 62.651 2.513 1.025 0.674 0.909 0.568 CB 1.739 45 residues pruned to eliminate duplicates Z: 46 56.578 2.479 0.969 0.652 0.889 0.667 CB 1.688 46 residues pruned to eliminate duplicates Z: 170 148.367 2.537 1.213 0.728 0.964 0.574 CB 1.716 170 residues pruned to eliminate duplicates Z: 184 147.052 2.524 1.207 0.697 0.956 0.607 CB 1.706 184 residues pruned to eliminate duplicates Z: 185 147.568 2.509 1.169 0.705 0.967 0.614 CB 1.715 185 residues pruned to eliminate duplicates Z: 183 143.057 2.502 1.146 0.709 0.962 0.626 CB 1.699 183 residues pruned to eliminate duplicates Z: 171 145.198 2.515 1.195 0.714 0.965 0.594 CB 1.721 171 residues pruned to eliminate duplicates Z: 172 155.667 2.542 1.237 0.728 0.982 0.655 CB 1.736 172 residues pruned to eliminate duplicates Z: 184 152.566 2.526 1.186 0.706 0.978 0.634 CB 1.732 184 residues pruned to eliminate duplicates Z: 183 146.780 2.523 1.117 0.701 0.973 0.648 CB 1.744 183 residues pruned to eliminate duplicates Z: 182 132.577 2.479 1.131 0.662 0.956 0.558 CB 1.679 182 residues pruned to eliminate duplicates Z: 184 146.927 2.500 1.178 0.695 0.962 0.628 CB 1.736 184 residues pruned to eliminate duplicates Z: 163 139.165 2.509 1.121 0.747 0.957 0.691 CB 1.722 163 residues pruned to eliminate duplicates Z: 184 146.153 2.520 1.168 0.699 0.956 0.628 CB 1.725 184 residues pruned to eliminate duplicates Z: 215 166.221 2.532 1.185 0.717 0.972 0.673 CB 1.736 171 residues pruned to eliminate duplicates Z: 30 61.885 2.581 0.937 0.752 1.000 0.690 CB 1.835 30 residues pruned to eliminate duplicates Z: 227 157.949 2.494 1.136 0.696 0.956 0.606 CB 1.725 227 residues pruned to eliminate duplicates Z: 182 148.570 2.524 1.223 0.700 0.950 0.624 CB 1.725 182 residues pruned to eliminate duplicates Z: 183 144.705 2.509 1.170 0.704 0.956 0.571 CB 1.712 183 residues pruned to eliminate duplicates Z: 184 153.333 2.526 1.188 0.710 0.973 0.639 CB 1.744 184 residues pruned to eliminate duplicates Z: 174 151.531 2.542 1.201 0.719 0.977 0.624 CB 1.730 174 residues pruned to eliminate duplicates Z: 181 150.340 2.527 1.199 0.705 0.961 0.611 CB 1.742 181 residues pruned to eliminate duplicates Z: 171 144.998 2.537 1.198 0.713 0.959 0.594 CB 1.715 171 residues pruned to eliminate duplicates Z: 21 36.029 2.466 0.835 0.541 1.000 0.450 CB 1.711 21 residues pruned to eliminate duplicates Z: 183 147.304 2.514 1.180 0.698 0.973 0.566 CB 1.709 183 residues pruned to eliminate duplicates Z: 174 147.278 2.527 1.227 0.718 0.954 0.561 CB 1.713 174 residues pruned to eliminate duplicates Z: 16 12.337 2.073 0.580 0.296 0.800 0.333 CB 1.526 Z: 10 16.170 2.230 0.556 0.631 0.889 0.444 CA 1.545 4 residues pruned to eliminate duplicates Z: 6 5.746 1.857 0.553 0.284 0.800 0.400 CB 1.422 6 residues pruned to eliminate duplicates Z: 179 146.354 2.525 1.124 0.707 0.983 0.629 CB 1.724 201 residues pruned to eliminate duplicates Z: 141 122.885 2.512 1.081 0.702 0.964 0.707 CB 1.715 141 residues pruned to eliminate duplicates Z: 183 135.865 2.502 1.006 0.705 0.962 0.648 CB 1.733 183 residues pruned to eliminate duplicates Z: 184 129.300 2.517 1.012 0.701 0.918 0.639 CB 1.713 184 residues pruned to eliminate duplicates Z: 181 135.676 2.514 1.064 0.683 0.961 0.694 CB 1.714 181 residues pruned to eliminate duplicates Z: 181 150.974 2.520 1.183 0.699 0.983 0.589 CB 1.735 56 residues pruned to eliminate duplicates Z: 7 8.676 1.956 0.395 0.580 0.833 0.500 CA 1.442 Z: 7 8.185 1.971 0.422 0.538 0.833 0.333 CB 1.378 7 residues pruned to eliminate duplicates Z: 9 9.714 2.145 0.406 0.407 0.875 0.250 CB 1.435 9 residues pruned to eliminate duplicates Z: 182 143.926 2.507 1.055 0.705 0.983 0.691 CB 1.753 189 residues pruned to eliminate duplicates Z: 104 99.369 2.499 0.970 0.695 0.961 0.786 CB 1.731 104 residues pruned to eliminate duplicates Z: 179 132.626 2.502 1.028 0.675 0.949 0.702 CB 1.756 119 residues pruned to eliminate duplicates Z: 7 8.707 1.969 0.465 0.576 0.833 0.667 CA 1.374 Z: 8 12.213 2.004 0.688 0.475 1.000 0.429 CB 1.400 15 residues pruned to eliminate duplicates Z: 184 140.939 2.505 1.041 0.701 0.967 0.656 CB 1.755 184 residues pruned to eliminate duplicates Z: 181 138.315 2.515 0.995 0.708 0.972 0.733 CB 1.749 181 residues pruned to eliminate duplicates Z: 179 140.168 2.504 1.064 0.693 0.966 0.697 CB 1.763 140 residues pruned to eliminate duplicates Z: 6 4.927 1.820 0.174 0.425 1.000 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 79 84.907 2.513 1.023 0.660 0.962 0.731 CB 1.695 79 residues pruned to eliminate duplicates Z: 177 124.454 2.493 1.006 0.668 0.926 0.670 CB 1.734 177 residues pruned to eliminate duplicates Z: 118 105.431 2.468 0.973 0.708 0.966 0.761 CB 1.715 118 residues pruned to eliminate duplicates Z: 183 132.985 2.511 0.982 0.713 0.945 0.626 CB 1.728 148 residues pruned to eliminate duplicates Z: 25 57.938 2.474 1.114 0.772 0.958 0.750 CA 1.854 25 residues pruned to eliminate duplicates Z: 109 111.389 2.486 1.071 0.729 0.972 0.769 CB 1.743 109 residues pruned to eliminate duplicates Z: 146 124.162 2.500 1.056 0.697 0.966 0.710 CB 1.736 146 residues pruned to eliminate duplicates Z: 144 122.289 2.476 1.118 0.692 0.979 0.720 CB 1.671 144 residues pruned to eliminate duplicates Z: 142 120.322 2.496 1.045 0.707 0.950 0.752 CB 1.731 142 residues pruned to eliminate duplicates Z: 161 121.055 2.470 0.994 0.705 0.950 0.681 CB 1.698 161 residues pruned to eliminate duplicates Z: 122 107.988 2.497 0.973 0.685 0.967 0.711 CB 1.739 122 residues pruned to eliminate duplicates Z: 118 112.032 2.502 1.028 0.698 0.966 0.761 CB 1.764 118 residues pruned to eliminate duplicates Z: 144 120.169 2.510 1.027 0.686 0.958 0.692 CB 1.739 144 residues pruned to eliminate duplicates Z: 118 111.738 2.479 1.087 0.710 0.966 0.735 CB 1.709 118 residues pruned to eliminate duplicates Z: 231 153.095 2.492 1.042 0.720 0.943 0.709 CB 1.724 184 residues pruned to eliminate duplicates Z: 23 58.918 2.435 1.214 0.875 0.955 0.773 CB 1.775 23 residues pruned to eliminate duplicates Z: 78 86.881 2.492 1.063 0.671 0.974 0.636 CB 1.688 78 residues pruned to eliminate duplicates Z: 118 100.956 2.501 0.954 0.652 0.966 0.701 CB 1.717 118 residues pruned to eliminate duplicates Z: 71 76.490 2.480 1.054 0.631 0.957 0.657 CB 1.659 71 residues pruned to eliminate duplicates Z: 184 131.916 2.503 0.989 0.702 0.945 0.694 CB 1.723 184 residues pruned to eliminate duplicates Z: 142 128.491 2.513 1.138 0.701 0.965 0.716 CB 1.738 142 residues pruned to eliminate duplicates Z: 153 120.695 2.499 0.965 0.699 0.961 0.638 CB 1.731 153 residues pruned to eliminate duplicates Z: 217 163.969 2.531 1.092 0.747 0.968 0.639 CB 1.746 218 residues pruned to eliminate duplicates Z: 29 68.352 2.586 1.195 0.835 0.964 0.786 CB 1.768 29 residues pruned to eliminate duplicates Z: 184 139.021 2.518 1.051 0.705 0.951 0.683 CB 1.736 184 residues pruned to eliminate duplicates Z: 145 124.326 2.495 1.060 0.707 0.972 0.688 CB 1.718 145 residues pruned to eliminate duplicates Z: 142 123.528 2.503 1.078 0.702 0.965 0.674 CB 1.726 142 residues pruned to eliminate duplicates Z: 141 126.059 2.505 1.112 0.706 0.971 0.671 CB 1.719 141 residues pruned to eliminate duplicates Z: 74 76.392 2.478 1.016 0.615 0.959 0.658 CB 1.674 74 residues pruned to eliminate duplicates Z: 82 87.398 2.501 1.095 0.646 0.951 0.654 CB 1.700 82 residues pruned to eliminate duplicates Z: 129 119.633 2.497 1.134 0.697 0.953 0.703 CB 1.739 129 residues pruned to eliminate duplicates Z: 131 124.519 2.515 1.089 0.736 0.954 0.723 CB 1.764 131 residues pruned to eliminate duplicates Z: 183 139.919 2.511 1.106 0.699 0.940 0.676 CB 1.741 170 residues pruned to eliminate duplicates Z: 13 24.600 2.073 1.230 0.561 0.917 0.417 CA 1.580 Z: 34 49.268 2.405 0.734 0.874 0.970 0.879 CB 1.543 47 residues pruned to eliminate duplicates Z: 107 113.020 2.523 1.127 0.740 0.953 0.755 CB 1.730 107 residues pruned to eliminate duplicates Z: 172 145.562 2.543 1.099 0.736 0.959 0.713 CB 1.759 172 residues pruned to eliminate duplicates Z: 179 143.031 2.510 1.157 0.680 0.961 0.669 CB 1.747 179 residues pruned to eliminate duplicates Z: 170 145.429 2.547 1.118 0.735 0.959 0.675 CB 1.751 170 residues pruned to eliminate duplicates Z: 184 136.776 2.521 1.031 0.713 0.951 0.667 CB 1.712 184 residues pruned to eliminate duplicates Z: 140 122.469 2.480 1.174 0.702 0.942 0.683 CB 1.701 140 residues pruned to eliminate duplicates Z: 185 138.265 2.507 1.125 0.695 0.940 0.609 CB 1.703 185 residues pruned to eliminate duplicates Z: 230 160.374 2.498 1.110 0.711 0.961 0.624 CB 1.728 230 residues pruned to eliminate duplicates Z: 218 151.854 2.514 1.024 0.732 0.954 0.687 CB 1.724 218 residues pruned to eliminate duplicates Z: 230 165.049 2.507 1.161 0.717 0.956 0.659 CB 1.729 230 residues pruned to eliminate duplicates Z: 180 143.417 2.521 1.155 0.695 0.955 0.654 CB 1.728 180 residues pruned to eliminate duplicates Z: 230 154.444 2.473 1.110 0.710 0.948 0.659 CB 1.705 230 residues pruned to eliminate duplicates Z: 182 144.155 2.511 1.125 0.693 0.972 0.669 CB 1.731 182 residues pruned to eliminate duplicates Z: 91 112.969 2.555 1.227 0.744 0.978 0.678 CB 1.720 91 residues pruned to eliminate duplicates Z: 106 122.339 2.531 1.229 0.754 0.971 0.771 CB 1.737 106 residues pruned to eliminate duplicates Z: 184 148.245 2.519 1.207 0.706 0.945 0.612 CB 1.728 184 residues pruned to eliminate duplicates Z: 119 118.463 2.480 1.200 0.697 0.975 0.678 CB 1.714 119 residues pruned to eliminate duplicates Z: 127 108.124 2.429 1.157 0.663 0.937 0.627 CB 1.688 127 residues pruned to eliminate duplicates Z: 91 111.897 2.547 1.336 0.737 0.956 0.644 CB 1.677 91 residues pruned to eliminate duplicates Z: 172 148.885 2.537 1.204 0.728 0.947 0.643 CB 1.750 172 residues pruned to eliminate duplicates Z: 173 146.305 2.540 1.168 0.745 0.948 0.581 CB 1.716 173 residues pruned to eliminate duplicates Z: 144 126.056 2.503 1.176 0.692 0.951 0.657 CB 1.707 144 residues pruned to eliminate duplicates Z: 106 120.453 2.533 1.240 0.747 0.962 0.657 CB 1.727 106 residues pruned to eliminate duplicates Z: 115 120.537 2.524 1.225 0.719 0.974 0.544 CB 1.694 115 residues pruned to eliminate duplicates Z: 142 130.011 2.507 1.168 0.708 0.979 0.596 CB 1.703 142 residues pruned to eliminate duplicates Z: 182 140.744 2.503 1.141 0.703 0.950 0.635 CB 1.707 182 residues pruned to eliminate duplicates Z: 130 139.143 2.553 1.290 0.745 0.969 0.729 CB 1.737 130 residues pruned to eliminate duplicates Z: 33 62.524 2.405 1.003 0.752 1.000 0.812 CB 1.832 33 residues pruned to eliminate duplicates Z: 130 139.031 2.549 1.262 0.739 0.992 0.690 CB 1.727 130 residues pruned to eliminate duplicates Z: 184 148.070 2.522 1.192 0.704 0.956 0.721 CB 1.720 184 residues pruned to eliminate duplicates Z: 184 142.528 2.510 1.164 0.698 0.951 0.601 CB 1.702 184 residues pruned to eliminate duplicates Z: 184 145.072 2.501 1.208 0.699 0.945 0.634 CB 1.713 184 residues pruned to eliminate duplicates Z: 144 136.355 2.516 1.243 0.724 0.958 0.622 CB 1.723 144 residues pruned to eliminate duplicates Z: 180 130.058 2.479 1.155 0.677 0.922 0.637 CB 1.678 180 residues pruned to eliminate duplicates Z: 141 129.956 2.513 1.257 0.715 0.943 0.657 CB 1.690 141 residues pruned to eliminate duplicates Z: 131 136.193 2.526 1.326 0.738 0.969 0.631 CB 1.693 131 residues pruned to eliminate duplicates Z: 143 130.972 2.493 1.257 0.709 0.965 0.549 CB 1.675 143 residues pruned to eliminate duplicates Z: 182 147.373 2.517 1.147 0.703 0.967 0.619 CB 1.742 182 residues pruned to eliminate duplicates Z: 119 121.569 2.485 1.248 0.705 0.975 0.593 CB 1.706 119 residues pruned to eliminate duplicates Z: 143 133.474 2.499 1.241 0.696 0.979 0.570 CB 1.708 143 residues pruned to eliminate duplicates Z: 182 143.294 2.488 1.196 0.687 0.972 0.569 CB 1.689 182 residues pruned to eliminate duplicates Z: 185 143.454 2.502 1.186 0.713 0.946 0.560 CB 1.686 185 residues pruned to eliminate duplicates Z: 186 137.443 2.473 1.166 0.675 0.951 0.595 CB 1.688 186 residues pruned to eliminate duplicates Z: 180 149.697 2.524 1.175 0.717 0.966 0.626 CB 1.733 180 residues pruned to eliminate duplicates Z: 182 142.533 2.499 1.162 0.693 0.956 0.591 CB 1.719 182 residues pruned to eliminate duplicates Z: 142 124.411 2.502 1.209 0.690 0.950 0.546 CB 1.676 142 residues pruned to eliminate duplicates Z: 184 139.472 2.503 1.169 0.698 0.940 0.574 CB 1.687 184 residues pruned to eliminate duplicates Z: 46 78.281 2.436 1.266 0.756 0.956 0.711 CB 1.761 46 residues pruned to eliminate duplicates Z: 105 126.950 2.541 1.304 0.764 0.981 0.625 CB 1.715 105 residues pruned to eliminate duplicates Z: 181 137.490 2.485 1.173 0.684 0.944 0.567 CB 1.697 181 residues pruned to eliminate duplicates Z: 141 129.294 2.511 1.244 0.701 0.964 0.564 CB 1.675 141 residues pruned to eliminate duplicates Z: 75 93.618 2.540 1.086 0.713 0.959 0.662 CB 1.765 75 residues pruned to eliminate duplicates Z: 230 165.369 2.508 1.119 0.719 0.978 0.646 CB 1.724 230 residues pruned to eliminate duplicates Z: 218 172.637 2.538 1.169 0.736 0.991 0.654 CB 1.738 218 residues pruned to eliminate duplicates Z: 230 171.556 2.511 1.157 0.724 0.983 0.624 CB 1.741 230 residues pruned to eliminate duplicates Z: 48 73.448 2.452 1.109 0.750 0.979 0.638 CB 1.693 48 residues pruned to eliminate duplicates Z: 230 163.008 2.504 1.170 0.705 0.961 0.624 CB 1.712 230 residues pruned to eliminate duplicates Z: 91 100.361 2.497 1.063 0.718 0.967 0.722 CB 1.745 91 residues pruned to eliminate duplicates Z: 231 164.669 2.501 1.122 0.719 0.974 0.639 CB 1.724 231 residues pruned to eliminate duplicates Z: 49 71.787 2.414 1.092 0.755 0.958 0.771 CB 1.706 49 residues pruned to eliminate duplicates Z: 96 95.389 2.467 1.026 0.689 0.958 0.674 CB 1.720 96 residues pruned to eliminate duplicates Z: 229 158.424 2.503 1.134 0.709 0.952 0.579 CB 1.707 229 residues pruned to eliminate duplicates Z: 225 160.583 2.492 1.150 0.704 0.964 0.638 CB 1.726 225 residues pruned to eliminate duplicates Z: 229 164.712 2.528 1.132 0.716 0.956 0.645 CB 1.741 229 residues pruned to eliminate duplicates Z: 95 97.372 2.479 1.055 0.702 0.947 0.702 CB 1.732 95 residues pruned to eliminate duplicates Z: 49 77.802 2.443 1.142 0.766 0.958 0.625 CB 1.770 49 residues pruned to eliminate duplicates Z: 230 170.723 2.518 1.194 0.716 0.969 0.677 CB 1.733 230 residues pruned to eliminate duplicates Z: 230 168.185 2.515 1.146 0.718 0.969 0.646 CB 1.744 230 residues pruned to eliminate duplicates Z: 48 80.535 2.446 1.281 0.764 0.936 0.702 CB 1.779 48 residues pruned to eliminate duplicates Z: 47 78.081 2.466 1.185 0.786 0.957 0.783 CB 1.736 47 residues pruned to eliminate duplicates Z: 46 79.100 2.492 1.043 0.804 0.978 0.822 CB 1.816 46 residues pruned to eliminate duplicates Z: 48 78.855 2.444 1.240 0.766 0.979 0.681 CB 1.696 48 residues pruned to eliminate duplicates Z: 45 84.944 2.542 1.220 0.801 0.955 0.682 CB 1.828 45 residues pruned to eliminate duplicates Z: 231 166.039 2.504 1.157 0.715 0.974 0.670 CB 1.713 231 residues pruned to eliminate duplicates Z: 47 77.568 2.466 1.078 0.782 0.978 0.717 CB 1.779 47 residues pruned to eliminate duplicates Z: 230 165.983 2.499 1.166 0.718 0.961 0.672 CB 1.732 230 residues pruned to eliminate duplicates Z: 47 78.485 2.454 1.187 0.780 0.957 0.804 CB 1.761 46 residues pruned to eliminate duplicates Z: 26 64.174 2.518 1.029 0.909 0.960 0.760 CA 1.857 26 residues pruned to eliminate duplicates Z: 203 158.704 2.531 1.217 0.716 0.960 0.658 CB 1.705 203 residues pruned to eliminate duplicates Z: 231 165.008 2.506 1.130 0.713 0.974 0.622 CB 1.725 231 residues pruned to eliminate duplicates Z: 230 161.280 2.482 1.167 0.704 0.965 0.629 CB 1.706 230 residues pruned to eliminate duplicates Z: 87 92.590 2.476 1.009 0.708 0.919 0.698 CB 1.810 87 residues pruned to eliminate duplicates Z: 90 102.279 2.513 1.110 0.711 0.955 0.697 CB 1.768 90 residues pruned to eliminate duplicates Z: 117 119.535 2.526 1.119 0.698 0.983 0.655 CB 1.762 117 residues pruned to eliminate duplicates Z: 48 77.929 2.478 1.219 0.766 0.957 0.617 CB 1.704 48 residues pruned to eliminate duplicates Z: 218 169.764 2.533 1.228 0.735 0.959 0.641 CB 1.725 218 residues pruned to eliminate duplicates Z: 47 83.172 2.463 1.233 0.787 0.978 0.652 CB 1.771 47 residues pruned to eliminate duplicates Z: 24 82.950 2.617 1.451 0.934 1.000 0.609 CB 1.880 26 residues pruned to eliminate duplicates Z: 24 74.451 2.615 1.291 0.943 0.957 0.609 CB 1.878 24 residues pruned to eliminate duplicates Z: 230 168.292 2.509 1.224 0.710 0.961 0.563 CB 1.714 230 residues pruned to eliminate duplicates Z: 230 171.680 2.520 1.194 0.716 0.983 0.638 CB 1.718 230 residues pruned to eliminate duplicates Z: 231 172.309 2.507 1.231 0.715 0.970 0.643 CB 1.725 231 residues pruned to eliminate duplicates Z: 48 86.779 2.476 1.434 0.778 0.979 0.511 CB 1.679 46 residues pruned to eliminate duplicates Z: 14 67.529 2.654 1.722 0.882 0.923 0.769 CB 2.032 16 residues pruned to eliminate duplicates Z: 26 86.780 2.499 1.546 0.915 1.000 0.720 CB 1.928 26 residues pruned to eliminate duplicates Z: 185 136.840 2.548 1.042 0.684 0.924 0.685 CB 1.772 185 residues pruned to eliminate duplicates Z: 181 144.979 2.558 1.076 0.682 0.967 0.667 CB 1.780 181 residues pruned to eliminate duplicates Z: 103 93.296 2.537 0.891 0.671 0.941 0.735 CB 1.746 103 residues pruned to eliminate duplicates Z: 79 83.972 2.514 0.984 0.636 0.974 0.615 CB 1.722 79 residues pruned to eliminate duplicates Z: 158 125.459 2.507 1.027 0.708 0.949 0.682 CB 1.718 158 residues pruned to eliminate duplicates Z: 118 111.663 2.546 0.983 0.707 0.957 0.726 CB 1.770 118 residues pruned to eliminate duplicates Z: 66 80.928 2.572 1.019 0.619 0.969 0.585 CB 1.782 66 residues pruned to eliminate duplicates Z: 13 21.509 2.239 0.865 0.491 1.000 0.417 CB 1.501 13 residues pruned to eliminate duplicates Z: 180 134.681 2.525 1.034 0.658 0.950 0.598 CB 1.783 177 residues pruned to eliminate duplicates Z: 7 5.601 1.826 0.383 0.574 0.667 0.333 CA 1.264 7 residues pruned to eliminate duplicates Z: 185 130.051 2.529 0.970 0.686 0.935 0.647 CB 1.735 185 residues pruned to eliminate duplicates Z: 70 78.041 2.531 1.056 0.586 0.957 0.594 CB 1.738 67 residues pruned to eliminate duplicates Z: 7 10.720 2.227 0.556 0.509 0.833 0.500 CA 1.502 Z: 7 12.514 1.986 0.614 0.652 1.000 0.833 CB 1.384 7 residues pruned to eliminate duplicates Z: 77 84.405 2.544 0.995 0.646 0.974 0.671 CB 1.710 84 residues pruned to eliminate duplicates Z: 182 134.067 2.533 0.959 0.705 0.945 0.663 CB 1.764 143 residues pruned to eliminate duplicates Z: 9 11.221 1.869 0.757 0.524 1.000 0.500 CB 1.179 9 residues pruned to eliminate duplicates Z: 182 142.361 2.543 1.025 0.706 0.961 0.680 CB 1.773 138 residues pruned to eliminate duplicates Z: 6 5.544 1.734 0.556 0.421 1.000 0.600 CA 0.998 6 residues pruned to eliminate duplicates Z: 69 71.872 2.520 0.905 0.599 0.956 0.603 CB 1.728 69 residues pruned to eliminate duplicates Z: 180 140.447 2.534 1.105 0.652 0.966 0.570 CB 1.768 180 residues pruned to eliminate duplicates Z: 121 106.251 2.532 0.982 0.634 0.958 0.583 CB 1.779 118 residues pruned to eliminate duplicates Z: 8 11.127 1.837 0.677 0.563 1.000 0.429 CB 1.284 Z: 6 10.030 1.970 1.016 0.360 1.000 0.400 CA 1.313 7 residues pruned to eliminate duplicates Z: 6 6.648 1.642 0.415 0.642 1.000 0.600 N 1.121 6 residues pruned to eliminate duplicates Z: 132 128.743 2.562 1.110 0.723 0.977 0.718 CB 1.742 139 residues pruned to eliminate duplicates Z: 86 82.882 2.499 0.995 0.633 0.929 0.682 CB 1.712 86 residues pruned to eliminate duplicates Z: 143 125.218 2.528 1.095 0.705 0.951 0.711 CB 1.732 143 residues pruned to eliminate duplicates Z: 172 140.320 2.562 1.030 0.713 0.953 0.702 CB 1.784 172 residues pruned to eliminate duplicates Z: 182 141.352 2.543 1.071 0.681 0.956 0.586 CB 1.767 182 residues pruned to eliminate duplicates Z: 70 80.336 2.519 1.048 0.611 0.971 0.652 CB 1.739 70 residues pruned to eliminate duplicates Z: 69 75.128 2.540 0.941 0.599 0.956 0.647 CB 1.759 69 residues pruned to eliminate duplicates Z: 80 87.775 2.525 0.969 0.661 0.987 0.734 CB 1.733 80 residues pruned to eliminate duplicates Z: 181 145.303 2.523 1.179 0.678 0.944 0.567 CB 1.771 113 residues pruned to eliminate duplicates Z: 22 58.070 2.491 1.127 0.877 1.000 0.857 CA 1.736 22 residues pruned to eliminate duplicates Z: 79 88.908 2.535 1.044 0.658 0.974 0.667 CB 1.721 79 residues pruned to eliminate duplicates Z: 182 139.840 2.558 1.017 0.689 0.956 0.669 CB 1.773 184 residues pruned to eliminate duplicates Z: 22 52.878 2.532 1.008 0.854 0.952 0.714 CA 1.759 22 residues pruned to eliminate duplicates Z: 152 123.253 2.537 0.952 0.687 0.954 0.715 CB 1.791 152 residues pruned to eliminate duplicates Z: 57 84.150 2.611 1.041 0.690 0.982 0.714 CB 1.805 57 residues pruned to eliminate duplicates Z: 144 134.386 2.574 1.027 0.754 0.965 0.692 CB 1.780 144 residues pruned to eliminate duplicates Z: 119 116.619 2.531 1.046 0.700 0.983 0.720 CB 1.757 119 residues pruned to eliminate duplicates Z: 185 136.600 2.556 1.011 0.700 0.929 0.636 CB 1.757 185 residues pruned to eliminate duplicates Z: 182 141.561 2.529 1.064 0.698 0.961 0.630 CB 1.750 182 residues pruned to eliminate duplicates Z: 184 137.291 2.537 1.075 0.700 0.940 0.683 CB 1.709 184 residues pruned to eliminate duplicates Z: 181 139.264 2.521 1.065 0.687 0.950 0.650 CB 1.769 181 residues pruned to eliminate duplicates Z: 73 77.358 2.488 1.021 0.607 0.958 0.611 CB 1.708 73 residues pruned to eliminate duplicates Z: 182 146.688 2.552 1.099 0.677 0.972 0.674 CB 1.779 182 residues pruned to eliminate duplicates Z: 146 132.889 2.545 1.169 0.695 0.972 0.690 CB 1.720 143 residues pruned to eliminate duplicates Z: 11 35.066 2.380 1.125 0.882 1.000 0.700 CB 1.586 11 residues pruned to eliminate duplicates Z: 185 140.662 2.547 0.995 0.707 0.967 0.679 CB 1.747 185 residues pruned to eliminate duplicates Z: 131 127.969 2.574 1.111 0.729 0.969 0.754 CB 1.735 131 residues pruned to eliminate duplicates Z: 129 97.387 2.451 0.952 0.579 0.961 0.625 CB 1.736 129 residues pruned to eliminate duplicates Z: 77 86.211 2.553 1.030 0.647 0.961 0.645 CB 1.732 77 residues pruned to eliminate duplicates Z: 141 129.056 2.561 1.125 0.700 0.957 0.750 CB 1.744 141 residues pruned to eliminate duplicates Z: 123 108.370 2.531 0.991 0.647 0.959 0.623 CB 1.771 123 residues pruned to eliminate duplicates Z: 111 103.816 2.535 1.042 0.624 0.936 0.545 CB 1.817 111 residues pruned to eliminate duplicates Z: 155 132.705 2.532 1.121 0.692 0.968 0.662 CB 1.727 155 residues pruned to eliminate duplicates Z: 169 136.427 2.542 1.105 0.676 0.958 0.661 CB 1.746 169 residues pruned to eliminate duplicates Z: 182 150.724 2.554 1.137 0.684 0.972 0.608 CB 1.782 182 residues pruned to eliminate duplicates Z: 185 137.649 2.532 1.025 0.672 0.962 0.663 CB 1.755 185 residues pruned to eliminate duplicates Z: 78 90.190 2.574 1.058 0.669 0.961 0.688 CB 1.727 78 residues pruned to eliminate duplicates Z: 182 146.874 2.554 1.137 0.682 0.967 0.635 CB 1.750 182 residues pruned to eliminate duplicates Z: 183 138.809 2.549 1.000 0.696 0.956 0.665 CB 1.764 183 residues pruned to eliminate duplicates Z: 183 143.917 2.532 1.109 0.696 0.951 0.681 CB 1.756 183 residues pruned to eliminate duplicates Z: 172 144.064 2.561 1.179 0.715 0.947 0.632 CB 1.716 132 residues pruned to eliminate duplicates Z: 30 67.952 2.526 1.075 0.925 1.000 0.621 CB 1.689 30 residues pruned to eliminate duplicates Z: 142 133.181 2.539 1.209 0.696 0.972 0.631 CB 1.721 142 residues pruned to eliminate duplicates Z: 85 103.380 2.513 1.197 0.772 0.940 0.595 CB 1.707 85 residues pruned to eliminate duplicates Z: 143 126.439 2.527 1.165 0.697 0.951 0.648 CB 1.704 143 residues pruned to eliminate duplicates Z: 146 132.265 2.535 1.172 0.693 0.972 0.628 CB 1.720 146 residues pruned to eliminate duplicates Z: 183 146.805 2.535 1.140 0.697 0.962 0.643 CB 1.742 183 residues pruned to eliminate duplicates Z: 142 130.248 2.544 1.170 0.698 0.957 0.610 CB 1.733 142 residues pruned to eliminate duplicates Z: 146 128.830 2.519 1.181 0.684 0.966 0.641 CB 1.703 146 residues pruned to eliminate duplicates Z: 134 134.412 2.551 1.264 0.735 0.955 0.639 CB 1.711 134 residues pruned to eliminate duplicates Z: 106 125.655 2.575 1.251 0.756 0.971 0.648 CB 1.734 106 residues pruned to eliminate duplicates Z: 182 150.285 2.543 1.162 0.694 0.961 0.608 CB 1.771 50 residues pruned to eliminate duplicates Z: 32 79.154 2.506 1.512 0.912 0.968 0.548 CB 1.652 32 residues pruned to eliminate duplicates Z: 182 140.950 2.535 1.147 0.688 0.939 0.646 CB 1.725 182 residues pruned to eliminate duplicates Z: 182 157.224 2.550 1.231 0.695 0.967 0.641 CB 1.778 182 residues pruned to eliminate duplicates Z: 182 145.299 2.548 1.146 0.688 0.939 0.591 CB 1.771 182 residues pruned to eliminate duplicates Z: 185 143.783 2.545 1.108 0.689 0.957 0.625 CB 1.738 185 residues pruned to eliminate duplicates Z: 147 125.974 2.534 1.074 0.667 0.966 0.555 CB 1.760 147 residues pruned to eliminate duplicates Z: 182 148.820 2.577 1.156 0.702 0.945 0.569 CB 1.754 182 residues pruned to eliminate duplicates Z: 143 135.656 2.549 1.238 0.705 0.958 0.620 CB 1.729 143 residues pruned to eliminate duplicates Z: 143 130.052 2.545 1.207 0.696 0.951 0.613 CB 1.709 143 residues pruned to eliminate duplicates Z: 176 140.420 2.543 1.157 0.666 0.943 0.640 CB 1.760 176 residues pruned to eliminate duplicates Z: 119 126.013 2.539 1.259 0.703 0.966 0.627 CB 1.741 119 residues pruned to eliminate duplicates Z: 182 151.221 2.553 1.196 0.694 0.956 0.536 CB 1.757 182 residues pruned to eliminate duplicates Z: 129 136.539 2.580 1.275 0.730 0.961 0.664 CB 1.740 129 residues pruned to eliminate duplicates Z: 142 133.892 2.552 1.222 0.705 0.972 0.610 CB 1.699 142 residues pruned to eliminate duplicates Z: 185 141.284 2.536 1.196 0.687 0.929 0.598 CB 1.695 185 residues pruned to eliminate duplicates Z: 60 70.404 2.438 1.101 0.687 0.949 0.661 CB 1.588 60 residues pruned to eliminate duplicates Z: 185 143.626 2.533 1.151 0.707 0.946 0.522 CB 1.703 186 residues pruned to eliminate duplicates Z: 27 73.314 2.536 1.259 0.927 1.000 0.731 CB 1.758 27 residues pruned to eliminate duplicates Z: 185 144.328 2.530 1.162 0.703 0.946 0.587 CB 1.709 185 residues pruned to eliminate duplicates Z: 27 67.609 2.551 1.261 0.944 0.962 0.654 CB 1.655 27 residues pruned to eliminate duplicates Z: 182 154.525 2.548 1.225 0.695 0.967 0.619 CB 1.754 182 residues pruned to eliminate duplicates Z: 140 139.698 2.559 1.364 0.713 0.942 0.612 CB 1.714 140 residues pruned to eliminate duplicates Z: 57 85.008 2.500 1.343 0.723 0.964 0.589 CB 1.645 57 residues pruned to eliminate duplicates Z: 158 141.054 2.534 1.235 0.712 0.949 0.618 CB 1.728 158 residues pruned to eliminate duplicates Z: 133 139.535 2.558 1.354 0.722 0.977 0.667 CB 1.689 133 residues pruned to eliminate duplicates Z: 142 141.445 2.559 1.306 0.712 0.965 0.589 CB 1.726 142 residues pruned to eliminate duplicates Z: 180 141.449 2.510 1.174 0.676 0.955 0.525 CB 1.725 180 residues pruned to eliminate duplicates Z: 106 125.669 2.573 1.299 0.749 0.952 0.648 CB 1.743 106 residues pruned to eliminate duplicates Z: 184 151.810 2.565 1.193 0.697 0.945 0.568 CB 1.764 184 residues pruned to eliminate duplicates Z: 185 151.403 2.552 1.232 0.690 0.940 0.565 CB 1.752 185 residues pruned to eliminate duplicates Z: 145 140.634 2.553 1.291 0.696 0.972 0.569 CB 1.724 145 residues pruned to eliminate duplicates Z: 141 131.244 2.538 1.255 0.709 0.950 0.536 CB 1.688 141 residues pruned to eliminate duplicates Z: 184 142.116 2.538 1.179 0.697 0.923 0.541 CB 1.719 184 residues pruned to eliminate duplicates Z: 46 83.171 2.510 1.301 0.760 0.978 0.578 CB 1.743 46 residues pruned to eliminate duplicates Z: 185 148.511 2.547 1.208 0.697 0.946 0.571 CB 1.720 185 residues pruned to eliminate duplicates Z: 27 69.939 2.558 1.300 0.942 0.962 0.423 CB 1.681 Z: 31 69.306 2.391 1.289 0.870 1.000 0.667 CB 1.687 58 residues pruned to eliminate duplicates Z: 141 139.937 2.568 1.262 0.705 0.979 0.557 CB 1.727 141 residues pruned to eliminate duplicates Z: 230 167.108 2.536 1.220 0.714 0.939 0.528 CB 1.721 251 residues pruned to eliminate duplicates Z: 34 47.276 2.472 1.202 0.577 0.879 0.606 CB 1.598 34 residues pruned to eliminate duplicates Z: 56 79.453 2.533 1.190 0.736 0.927 0.691 CB 1.684 56 residues pruned to eliminate duplicates Z: 181 148.693 2.556 1.222 0.668 0.956 0.594 CB 1.749 181 residues pruned to eliminate duplicates Z: 183 144.035 2.522 1.181 0.673 0.951 0.566 CB 1.741 183 residues pruned to eliminate duplicates Z: 144 141.178 2.565 1.266 0.703 0.972 0.601 CB 1.738 144 residues pruned to eliminate duplicates Z: 187 143.466 2.542 1.235 0.696 0.914 0.554 CB 1.694 187 residues pruned to eliminate duplicates Z: 134 135.268 2.564 1.215 0.735 0.977 0.654 CB 1.711 134 residues pruned to eliminate duplicates Z: 183 148.570 2.535 1.172 0.673 0.973 0.621 CB 1.753 183 residues pruned to eliminate duplicates Z: 231 169.802 2.531 1.184 0.716 0.961 0.630 CB 1.734 231 residues pruned to eliminate duplicates Z: 144 138.433 2.555 1.288 0.703 0.958 0.685 CB 1.719 144 residues pruned to eliminate duplicates Z: 142 143.536 2.571 1.278 0.717 0.979 0.589 CB 1.733 142 residues pruned to eliminate duplicates Z: 185 152.810 2.553 1.224 0.702 0.957 0.609 CB 1.726 185 residues pruned to eliminate duplicates Z: 141 126.895 2.510 1.276 0.687 0.957 0.607 CB 1.653 141 residues pruned to eliminate duplicates Z: 182 151.047 2.551 1.190 0.694 0.961 0.635 CB 1.751 182 residues pruned to eliminate duplicates Z: 145 145.581 2.567 1.302 0.701 0.986 0.569 CB 1.734 145 residues pruned to eliminate duplicates Z: 84 110.624 2.544 1.302 0.771 0.952 0.554 CB 1.713 84 residues pruned to eliminate duplicates Z: 33 49.228 2.422 1.126 0.635 0.969 0.812 CB 1.537 33 residues pruned to eliminate duplicates Z: 145 135.294 2.546 1.197 0.701 0.979 0.590 CB 1.714 145 residues pruned to eliminate duplicates Z: 128 137.693 2.572 1.330 0.743 0.961 0.622 CB 1.707 128 residues pruned to eliminate duplicates Z: 183 147.076 2.547 1.144 0.696 0.962 0.593 CB 1.737 183 residues pruned to eliminate duplicates Z: 185 150.231 2.539 1.167 0.707 0.973 0.543 CB 1.714 185 residues pruned to eliminate duplicates Z: 159 135.069 2.534 1.156 0.703 0.949 0.563 CB 1.723 159 residues pruned to eliminate duplicates Z: 158 133.359 2.526 1.165 0.707 0.943 0.573 CB 1.711 158 residues pruned to eliminate duplicates Z: 185 145.731 2.539 1.127 0.685 0.962 0.549 CB 1.746 185 residues pruned to eliminate duplicates Z: 172 145.393 2.568 1.172 0.713 0.947 0.532 CB 1.734 172 residues pruned to eliminate duplicates Z: 185 149.489 2.554 1.193 0.700 0.946 0.625 CB 1.734 185 residues pruned to eliminate duplicates Z: 28 37.966 2.252 1.041 0.787 0.889 0.630 CB 1.390 28 residues pruned to eliminate duplicates Z: 46 64.686 2.453 1.100 0.685 0.933 0.622 CB 1.692 46 residues pruned to eliminate duplicates Z: 49 61.516 2.462 0.988 0.642 0.917 0.500 CB 1.733 49 residues pruned to eliminate duplicates Z: 159 140.537 2.532 1.187 0.711 0.968 0.570 CB 1.722 159 residues pruned to eliminate duplicates Z: 180 152.254 2.558 1.229 0.699 0.955 0.581 CB 1.743 180 residues pruned to eliminate duplicates Z: 182 145.257 2.549 1.153 0.670 0.956 0.541 CB 1.760 182 residues pruned to eliminate duplicates Z: 44 72.318 2.505 0.992 0.696 1.000 0.581 CB 1.847 44 residues pruned to eliminate duplicates Z: 26 59.228 2.531 1.033 0.886 0.920 0.600 CB 1.806 26 residues pruned to eliminate duplicates Z: 182 148.789 2.540 1.238 0.672 0.961 0.586 CB 1.727 182 residues pruned to eliminate duplicates Z: 45 70.548 2.511 1.056 0.686 0.955 0.477 CB 1.820 45 residues pruned to eliminate duplicates Z: 231 167.918 2.530 1.183 0.707 0.961 0.622 CB 1.729 231 residues pruned to eliminate duplicates Z: 185 148.795 2.550 1.183 0.684 0.962 0.592 CB 1.730 185 residues pruned to eliminate duplicates Z: 181 143.261 2.527 1.204 0.672 0.950 0.589 CB 1.722 181 residues pruned to eliminate duplicates Z: 37 54.894 2.519 1.002 0.642 0.889 0.611 CB 1.787 37 residues pruned to eliminate duplicates Z: 35 65.800 2.594 1.061 0.671 0.941 0.647 CB 1.915 35 residues pruned to eliminate duplicates Z: 45 71.734 2.509 1.072 0.674 0.955 0.614 CB 1.857 45 residues pruned to eliminate duplicates Z: 230 171.820 2.551 1.207 0.704 0.956 0.624 CB 1.752 230 residues pruned to eliminate duplicates Z: 220 164.499 2.537 1.165 0.703 0.968 0.644 CB 1.737 220 residues pruned to eliminate duplicates Z: 185 153.434 2.550 1.183 0.705 0.967 0.587 CB 1.742 185 residues pruned to eliminate duplicates Z: 185 151.042 2.557 1.194 0.685 0.957 0.625 CB 1.750 185 residues pruned to eliminate duplicates Z: 46 59.850 2.459 0.939 0.653 0.956 0.622 CB 1.697 46 residues pruned to eliminate duplicates Z: 44 67.297 2.538 0.936 0.676 0.953 0.628 CB 1.863 44 residues pruned to eliminate duplicates Z: 184 150.449 2.559 1.195 0.700 0.945 0.623 CB 1.745 185 residues pruned to eliminate duplicates Z: 28 51.209 2.302 0.979 0.808 0.926 0.741 CB 1.787 28 residues pruned to eliminate duplicates Z: 46 66.628 2.511 1.023 0.640 0.933 0.600 CB 1.838 46 residues pruned to eliminate duplicates Z: 185 150.887 2.537 1.179 0.693 0.967 0.598 CB 1.743 65 residues pruned to eliminate duplicates Z: 32 60.218 2.495 0.930 0.779 0.968 0.677 CA 1.814 32 residues pruned to eliminate duplicates Z: 184 148.456 2.552 1.229 0.690 0.940 0.557 CB 1.725 184 residues pruned to eliminate duplicates Z: 46 61.841 2.450 0.941 0.654 0.933 0.622 CB 1.800 46 residues pruned to eliminate duplicates Z: 184 148.661 2.542 1.169 0.691 0.962 0.579 CB 1.740 184 residues pruned to eliminate duplicates Z: 186 153.842 2.545 1.233 0.693 0.962 0.622 CB 1.734 184 residues pruned to eliminate duplicates Z: 10 26.047 2.427 1.009 0.703 0.778 0.778 CB 1.904 10 residues pruned to eliminate duplicates Z: 144 135.200 2.520 1.165 0.728 0.958 0.608 CB 1.761 144 residues pruned to eliminate duplicates Z: 23 33.568 2.386 1.106 0.502 0.864 0.500 CB 1.647 23 residues pruned to eliminate duplicates Z: 183 158.228 2.549 1.258 0.700 0.967 0.577 CB 1.757 183 residues pruned to eliminate duplicates Z: 11 40.380 2.505 1.216 0.733 1.000 0.700 CA 1.867 13 residues pruned to eliminate duplicates Z: 11 35.739 2.487 1.036 0.737 1.000 0.500 CB 1.805 11 residues pruned to eliminate duplicates Z: 44 70.316 2.559 0.937 0.677 0.977 0.674 CB 1.881 44 residues pruned to eliminate duplicates Z: 22 30.768 2.480 0.883 0.424 0.857 0.429 CB 1.814 2 residues pruned to eliminate duplicates Z: 11 27.211 2.520 0.838 0.739 0.900 0.700 CB 1.666 Z: 12 27.517 2.381 0.930 0.666 1.000 0.636 CB 1.548 12 residues pruned to eliminate duplicates Z: 16 30.813 2.342 1.200 0.812 0.867 0.667 CB 1.358 Z: 20 34.925 2.235 0.978 0.813 0.947 0.737 CB 1.457 15 residues pruned to eliminate duplicates Z: 19 39.959 2.296 1.034 0.851 0.944 0.667 CB 1.580 20 residues pruned to eliminate duplicates Z: 18 41.978 2.344 1.116 0.853 1.000 0.529 CB 1.517 19 residues pruned to eliminate duplicates Z: 18 32.327 2.264 0.739 0.841 1.000 0.588 CB 1.486 18 residues pruned to eliminate duplicates Z: 50 63.039 2.386 0.873 0.760 0.939 0.571 CB 1.705 24 residues pruned to eliminate duplicates Z: 18 46.320 2.354 1.245 0.888 1.000 0.765 CB 1.532 18 residues pruned to eliminate duplicates Z: 82 96.899 2.504 1.098 0.706 0.951 0.741 CB 1.788 138 residues pruned to eliminate duplicates Z: 90 101.058 2.519 1.045 0.717 0.933 0.640 CB 1.832 63 residues pruned to eliminate duplicates Z: 18 45.187 2.366 1.286 0.862 1.000 0.706 CB 1.488 18 residues pruned to eliminate duplicates Z: 192 161.095 2.521 1.240 0.723 0.963 0.628 CB 1.751 192 residues pruned to eliminate duplicates Z: 48 75.202 2.480 1.145 0.777 0.936 0.702 CB 1.725 48 residues pruned to eliminate duplicates Z: 19 33.927 2.328 1.036 0.783 0.889 0.444 CB 1.480 19 residues pruned to eliminate duplicates Z: 43 90.729 2.526 1.242 0.855 0.976 0.714 CB 1.868 45 residues pruned to eliminate duplicates Z: 19 38.424 2.370 1.071 0.808 0.944 0.444 CB 1.494 19 residues pruned to eliminate duplicates Z: 49 71.913 2.453 1.017 0.753 0.958 0.667 CB 1.747 49 residues pruned to eliminate duplicates Z: 46 81.376 2.487 1.187 0.794 0.956 0.711 CB 1.804 46 residues pruned to eliminate duplicates Z: 119 115.404 2.521 1.075 0.698 0.949 0.653 CB 1.786 119 residues pruned to eliminate duplicates Z: 51 73.873 2.405 1.081 0.752 0.940 0.660 CB 1.773 51 residues pruned to eliminate duplicates Z: 48 75.234 2.411 1.068 0.783 1.000 0.617 CB 1.715 48 residues pruned to eliminate duplicates Z: 46 83.939 2.491 1.151 0.827 0.978 0.778 CB 1.801 46 residues pruned to eliminate duplicates Z: 231 175.307 2.540 1.200 0.706 0.974 0.596 CB 1.761 231 residues pruned to eliminate duplicates Z: 229 169.458 2.538 1.178 0.709 0.965 0.592 CB 1.740 229 residues pruned to eliminate duplicates Z: 45 85.347 2.498 1.312 0.811 0.955 0.773 CB 1.779 45 residues pruned to eliminate duplicates Z: 48 74.048 2.467 1.076 0.772 0.979 0.745 CB 1.694 48 residues pruned to eliminate duplicates Z: 229 161.721 2.499 1.190 0.693 0.961 0.592 CB 1.708 229 residues pruned to eliminate duplicates Z: 64 90.740 2.551 1.197 0.696 0.968 0.571 CB 1.762 64 residues pruned to eliminate duplicates Z: 49 74.478 2.398 1.106 0.759 0.958 0.750 CB 1.765 49 residues pruned to eliminate duplicates Z: 47 83.711 2.482 1.285 0.776 0.978 0.739 CB 1.743 47 residues pruned to eliminate duplicates Z: 80 102.894 2.519 1.166 0.727 0.975 0.709 CB 1.774 80 residues pruned to eliminate duplicates Z: 48 77.580 2.434 1.162 0.760 0.957 0.702 CB 1.783 48 residues pruned to eliminate duplicates Z: 94 105.745 2.481 1.175 0.696 0.957 0.613 CB 1.776 94 residues pruned to eliminate duplicates Z: 231 171.979 2.546 1.212 0.704 0.952 0.604 CB 1.757 231 residues pruned to eliminate duplicates Z: 230 185.671 2.553 1.284 0.716 0.987 0.655 CB 1.753 230 residues pruned to eliminate duplicates Z: 47 84.486 2.477 1.341 0.792 0.957 0.587 CB 1.739 47 residues pruned to eliminate duplicates Z: 49 77.895 2.431 1.322 0.766 0.958 0.604 CB 1.641 49 residues pruned to eliminate duplicates Z: 48 82.060 2.475 1.337 0.775 0.979 0.553 CB 1.658 46 residues pruned to eliminate duplicates Z: 26 79.125 2.550 1.513 0.906 0.920 0.560 CB 1.910 26 residues pruned to eliminate duplicates Z: 49 76.668 2.439 1.225 0.758 0.958 0.479 CB 1.692 49 residues pruned to eliminate duplicates Z: 231 180.127 2.537 1.274 0.717 0.965 0.570 CB 1.753 231 residues pruned to eliminate duplicates Z: 230 177.562 2.545 1.253 0.708 0.983 0.572 CB 1.725 231 residues pruned to eliminate duplicates Z: 26 89.778 2.570 1.581 0.942 0.960 0.800 CA 1.955 27 residues pruned to eliminate duplicates Z: 27 84.742 2.527 1.495 0.873 1.000 0.769 CB 1.920 27 residues pruned to eliminate duplicates Z: 48 80.282 2.471 1.358 0.770 0.957 0.745 CB 1.653 48 residues pruned to eliminate duplicates 451 residues left after pruning, divided into chains as follows: A: 177 B: 46 C: 181 D: 47 CC for partial structure against native data = 45.30 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.810, Connect. = 0.769 for dens.mod. cycle 1 = 0.300, Contrast = 0.938, Connect. = 0.800 for dens.mod. cycle 2 = 0.300, Contrast = 1.146, Connect. = 0.823 for dens.mod. cycle 3 = 0.300, Contrast = 1.196, Connect. = 0.826 for dens.mod. cycle 4 = 0.300, Contrast = 1.233, Connect. = 0.828 for dens.mod. cycle 5 = 0.300, Contrast = 1.252, Connect. = 0.830 for dens.mod. cycle 6 = 0.300, Contrast = 1.268, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.275, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.282, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.285, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3098 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 612 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 26.364 2.393 0.856 0.885 0.900 0.600 CB 1.505 B: 12 22.530 2.096 0.870 0.886 1.000 0.909 CB 1.251 C: 12 25.263 2.176 0.846 0.906 1.000 1.000 CB 1.349 12 residues pruned to eliminate duplicates D: 27 68.741 2.462 1.141 0.908 0.962 0.769 CA 1.890 E: 22 63.689 2.547 1.155 0.866 1.000 0.905 CA 1.853 F: 12 32.176 2.296 0.876 0.862 1.000 0.727 CA 1.653 G: 25 76.356 2.548 1.339 0.931 0.958 0.833 CB 1.907 27 residues pruned to eliminate duplicates H: 25 78.661 2.565 1.280 0.947 0.958 0.500 CB 1.981 25 residues pruned to eliminate duplicates I: 22 64.627 2.519 1.233 0.884 1.000 0.762 CA 1.812 21 residues pruned to eliminate duplicates J: 21 60.299 2.609 1.125 0.864 1.000 0.850 CA 1.784 21 residues pruned to eliminate duplicates K: 25 85.131 2.621 1.538 0.930 0.958 0.792 CB 1.906 L: 18 66.814 2.522 1.385 0.927 1.000 1.000 CB 1.888 M: 24 71.997 2.615 1.205 0.920 0.957 0.783 CB 1.917 24 residues pruned to eliminate duplicates N: 25 75.850 2.553 1.269 0.909 1.000 0.875 CB 1.897 26 residues pruned to eliminate duplicates O: 25 82.084 2.595 1.312 0.939 0.958 0.792 CB 2.025 25 residues pruned to eliminate duplicates P: 10 40.986 2.667 0.919 0.921 1.000 1.000 CB 1.878 11 residues pruned to eliminate duplicates Q: 22 60.702 2.533 1.106 0.873 1.000 0.714 CA 1.808 R: 24 78.084 2.635 1.252 0.948 1.000 0.913 CB 1.895 24 residues pruned to eliminate duplicates S: 32 71.374 2.443 1.309 0.916 1.000 0.645 CB 1.605 T: 32 65.776 2.446 1.210 0.902 0.968 0.774 CB 1.610 32 residues pruned to eliminate duplicates U: 11 44.283 2.429 1.449 0.912 1.000 0.800 CB 1.667 10 residues pruned to eliminate duplicates V: 22 60.336 2.543 1.058 0.875 1.000 0.857 CA 1.829 22 residues pruned to eliminate duplicates W: 11 35.300 2.361 1.055 0.875 1.000 0.800 CB 1.673 12 residues pruned to eliminate duplicates X: 19 66.743 2.487 1.366 0.913 1.000 0.833 CB 1.892 18 residues pruned to eliminate duplicates Y: 26 73.829 2.482 1.273 0.953 0.960 0.840 CA 1.876 26 residues pruned to eliminate duplicates Z: 31 64.969 2.562 0.985 0.934 0.967 0.900 CB 1.683 Z: 26 85.500 2.520 1.472 0.944 1.000 0.640 CA 1.901 25 residues pruned to eliminate duplicates Z: 28 57.040 2.451 0.975 0.866 0.926 0.778 CA 1.793 Z: 26 62.316 2.512 1.162 0.904 0.880 0.480 CB 1.858 26 residues pruned to eliminate duplicates Z: 31 68.216 2.513 1.223 0.951 0.933 0.733 CB 1.646 31 residues pruned to eliminate duplicates Z: 31 57.792 2.481 0.826 0.932 0.967 0.900 CB 1.683 31 residues pruned to eliminate duplicates Z: 22 49.660 2.496 0.912 0.820 0.952 0.762 CA 1.807 22 residues pruned to eliminate duplicates Z: 22 59.368 2.534 1.064 0.876 1.000 0.810 CA 1.800 22 residues pruned to eliminate duplicates Z: 27 77.105 2.458 1.279 0.926 1.000 0.654 CB 1.894 27 residues pruned to eliminate duplicates Z: 19 50.816 2.420 0.921 0.930 1.000 0.889 CA 1.801 19 residues pruned to eliminate duplicates Z: 18 59.670 2.629 1.028 0.946 1.000 0.941 CB 1.877 Z: 29 48.878 2.348 1.052 0.771 0.893 0.500 CA 1.689 29 residues pruned to eliminate duplicates Z: 17 50.577 2.540 1.039 0.944 1.000 0.875 CB 1.690 17 residues pruned to eliminate duplicates Z: 19 65.069 2.457 1.429 0.901 1.000 0.667 CB 1.835 18 residues pruned to eliminate duplicates Z: 25 66.147 2.590 0.913 0.939 0.958 0.833 CA 1.975 25 residues pruned to eliminate duplicates Z: 31 62.244 2.505 0.956 0.924 0.967 0.833 CB 1.685 31 residues pruned to eliminate duplicates Z: 16 59.536 2.685 1.207 0.948 1.000 0.867 CB 1.791 16 residues pruned to eliminate duplicates Z: 22 58.637 2.505 1.137 0.859 1.000 0.571 CB 1.760 22 residues pruned to eliminate duplicates Z: 18 57.492 2.533 1.174 0.936 1.000 0.824 CB 1.764 18 residues pruned to eliminate duplicates Z: 26 64.491 2.506 1.050 0.927 0.920 0.800 CB 1.912 26 residues pruned to eliminate duplicates Z: 21 51.127 2.544 0.966 0.833 0.950 0.600 CB 1.805 Z: 26 83.829 2.524 1.536 0.936 0.960 0.680 CB 1.900 26 residues pruned to eliminate duplicates Z: 25 82.952 2.579 1.425 0.953 0.958 0.542 CB 1.945 25 residues pruned to eliminate duplicates Z: 31 51.833 2.450 0.674 0.897 1.000 0.933 CB 1.652 31 residues pruned to eliminate duplicates Z: 28 66.429 2.499 1.158 0.915 1.000 0.556 CB 1.675 Z: 18 45.824 2.429 0.957 0.893 0.941 0.882 CB 1.784 18 residues pruned to eliminate duplicates Z: 16 66.735 2.675 1.582 0.918 1.000 0.667 CB 1.759 17 residues pruned to eliminate duplicates Z: 22 58.748 2.518 1.195 0.875 0.952 0.810 CB 1.771 22 residues pruned to eliminate duplicates Z: 27 75.410 2.545 1.194 0.936 1.000 0.808 CB 1.845 28 residues pruned to eliminate duplicates Z: 27 60.620 2.528 1.023 0.916 0.962 0.731 CB 1.707 27 residues pruned to eliminate duplicates Z: 26 63.048 2.500 0.902 0.931 0.960 0.680 CA 1.930 26 residues pruned to eliminate duplicates Z: 32 62.754 2.459 1.014 0.913 0.968 0.710 CB 1.665 32 residues pruned to eliminate duplicates Z: 28 64.242 2.525 0.989 0.938 1.000 0.852 CB 1.713 28 residues pruned to eliminate duplicates Z: 26 58.164 2.511 0.857 0.932 0.920 0.840 CA 1.893 26 residues pruned to eliminate duplicates Z: 21 55.761 2.518 1.278 0.946 0.950 0.750 CB 1.583 21 residues pruned to eliminate duplicates Z: 28 59.560 2.416 1.080 0.845 0.963 0.667 CA 1.762 28 residues pruned to eliminate duplicates Z: 184 150.764 2.554 1.148 0.699 0.956 0.574 CB 1.772 150 residues pruned to eliminate duplicates Z: 12 34.200 2.279 1.102 0.895 1.000 0.818 CB 1.543 12 residues pruned to eliminate duplicates Z: 19 56.648 2.460 1.125 0.907 1.000 0.889 CA 1.815 19 residues pruned to eliminate duplicates Z: 27 72.602 2.487 1.252 0.900 0.962 0.731 CA 1.889 27 residues pruned to eliminate duplicates Z: 11 33.907 2.516 0.887 0.828 1.000 0.800 CB 1.701 11 residues pruned to eliminate duplicates Z: 25 77.671 2.550 1.449 0.905 0.958 0.500 CB 1.886 24 residues pruned to eliminate duplicates Z: 12 36.515 2.503 0.958 0.877 0.909 0.818 CA 1.794 12 residues pruned to eliminate duplicates Z: 17 62.437 2.536 1.529 0.906 0.938 0.625 CB 1.846 17 residues pruned to eliminate duplicates Z: 20 48.745 2.636 0.813 0.957 1.000 1.000 CB 1.606 20 residues pruned to eliminate duplicates Z: 33 46.272 2.372 0.567 0.905 1.000 0.906 CB 1.565 32 residues pruned to eliminate duplicates Z: 18 50.980 2.499 0.976 0.932 1.000 0.882 CB 1.749 18 residues pruned to eliminate duplicates Z: 113 109.437 2.547 1.051 0.631 0.964 0.625 CB 1.814 69 residues pruned to eliminate duplicates Z: 22 56.456 2.483 1.041 0.848 1.000 0.667 CA 1.803 22 residues pruned to eliminate duplicates Z: 21 48.940 2.523 0.874 0.827 1.000 0.750 CA 1.744 21 residues pruned to eliminate duplicates Z: 18 56.462 2.525 1.158 0.952 1.000 0.824 CB 1.731 18 residues pruned to eliminate duplicates Z: 21 57.553 2.515 1.023 0.870 1.000 0.750 CA 1.846 21 residues pruned to eliminate duplicates Z: 27 53.201 2.501 0.725 0.935 0.962 0.769 CB 1.753 27 residues pruned to eliminate duplicates Z: 20 29.619 2.256 0.759 0.755 0.842 0.684 CB 1.620 Z: 25 71.163 2.518 1.159 0.928 1.000 0.667 CB 1.871 25 residues pruned to eliminate duplicates Z: 27 62.028 2.538 1.182 0.808 0.885 0.615 CA 1.898 27 residues pruned to eliminate duplicates Z: 18 30.953 2.335 0.686 0.845 0.941 0.824 CB 1.506 18 residues pruned to eliminate duplicates Z: 32 55.504 2.435 0.789 0.896 0.968 0.774 CB 1.694 32 residues pruned to eliminate duplicates Z: 22 63.465 2.488 1.318 0.842 1.000 0.714 CB 1.790 22 residues pruned to eliminate duplicates Z: 10 36.851 2.531 0.869 0.893 1.000 0.889 CB 1.864 10 residues pruned to eliminate duplicates Z: 18 47.106 2.424 0.922 0.910 1.000 0.882 CB 1.739 18 residues pruned to eliminate duplicates Z: 18 39.341 2.333 1.145 0.855 0.941 0.706 CB 1.495 20 residues pruned to eliminate duplicates Z: 31 58.923 2.443 0.842 0.935 1.000 0.933 CB 1.665 32 residues pruned to eliminate duplicates Z: 19 62.170 2.481 1.235 0.917 1.000 0.833 CB 1.865 19 residues pruned to eliminate duplicates Z: 22 59.385 2.477 1.161 0.873 1.000 0.762 CA 1.763 22 residues pruned to eliminate duplicates Z: 18 33.708 2.383 1.013 0.857 0.824 0.706 CB 1.525 Z: 22 59.893 2.545 1.122 0.886 0.952 0.810 CA 1.835 22 residues pruned to eliminate duplicates Z: 15 58.753 2.694 1.287 0.928 0.929 0.857 CB 1.922 15 residues pruned to eliminate duplicates Z: 29 51.964 2.396 0.873 0.792 0.964 0.679 CB 1.757 29 residues pruned to eliminate duplicates Z: 22 55.128 2.525 0.856 0.899 1.000 0.810 CA 1.836 22 residues pruned to eliminate duplicates Z: 31 74.660 2.531 1.297 0.938 0.967 0.667 CB 1.687 31 residues pruned to eliminate duplicates Z: 19 50.528 2.380 1.614 0.867 0.833 0.333 CB 1.681 19 residues pruned to eliminate duplicates Z: 26 75.928 2.480 1.561 0.884 0.960 0.560 CB 1.800 26 residues pruned to eliminate duplicates Z: 27 61.585 2.448 1.043 0.899 0.923 0.846 CA 1.869 27 residues pruned to eliminate duplicates Z: 31 61.189 2.452 0.945 0.945 0.967 0.933 CB 1.677 31 residues pruned to eliminate duplicates Z: 28 64.047 2.375 1.302 0.894 0.926 0.481 CB 1.747 18 residues pruned to eliminate duplicates Z: 19 53.677 2.440 1.217 0.927 1.000 0.778 CB 1.640 19 residues pruned to eliminate duplicates Z: 18 43.074 2.409 0.948 0.902 0.941 0.882 CB 1.687 18 residues pruned to eliminate duplicates Z: 22 55.198 2.468 1.070 0.849 1.000 0.762 CA 1.747 22 residues pruned to eliminate duplicates Z: 15 39.487 2.553 0.701 0.935 0.857 0.857 CA 1.975 15 residues pruned to eliminate duplicates Z: 21 49.443 2.499 1.064 0.860 0.850 0.600 CB 1.854 21 residues pruned to eliminate duplicates Z: 25 88.050 2.576 1.496 0.944 1.000 0.542 CB 1.937 25 residues pruned to eliminate duplicates Z: 26 69.527 2.541 1.319 0.947 1.000 0.480 CB 1.630 26 residues pruned to eliminate duplicates Z: 25 63.295 2.544 0.997 0.914 0.958 0.833 CA 1.877 25 residues pruned to eliminate duplicates Z: 29 50.725 2.551 0.613 0.935 0.964 0.893 CB 1.683 29 residues pruned to eliminate duplicates Z: 32 62.328 2.439 1.005 0.941 1.000 0.903 CB 1.588 32 residues pruned to eliminate duplicates Z: 31 76.002 2.466 1.620 0.907 0.967 0.300 CB 1.579 31 residues pruned to eliminate duplicates Z: 31 65.121 2.510 1.326 0.930 0.933 0.467 CB 1.525 31 residues pruned to eliminate duplicates Z: 28 58.917 2.437 1.133 0.818 0.889 0.630 CB 1.861 28 residues pruned to eliminate duplicates Z: 16 32.823 2.257 0.676 0.868 0.933 0.467 CA 1.755 16 residues pruned to eliminate duplicates Z: 28 59.440 2.455 0.951 0.866 0.963 0.519 CB 1.816 21 residues pruned to eliminate duplicates Z: 29 61.680 2.310 1.238 0.920 0.964 0.500 CB 1.647 30 residues pruned to eliminate duplicates Z: 22 61.210 2.513 1.164 0.870 1.000 0.667 CA 1.793 22 residues pruned to eliminate duplicates Z: 29 49.471 2.363 0.896 0.898 0.929 0.786 CB 1.608 29 residues pruned to eliminate duplicates Z: 26 53.136 2.496 0.757 0.902 0.920 0.840 CA 1.879 26 residues pruned to eliminate duplicates Z: 19 41.670 2.491 0.792 0.775 0.944 0.667 CA 1.826 19 residues pruned to eliminate duplicates Z: 18 59.007 2.521 1.399 0.924 1.000 0.647 CB 1.662 18 residues pruned to eliminate duplicates Z: 20 59.711 2.624 1.047 0.890 1.000 0.737 CB 1.834 20 residues pruned to eliminate duplicates Z: 31 59.826 2.532 0.808 0.912 0.967 0.867 CB 1.748 31 residues pruned to eliminate duplicates Z: 31 55.855 2.444 0.737 0.922 0.967 0.867 CB 1.747 31 residues pruned to eliminate duplicates Z: 26 70.960 2.473 1.420 0.903 0.920 0.480 CB 1.837 26 residues pruned to eliminate duplicates Z: 32 68.705 2.494 1.216 0.908 0.968 0.710 CB 1.640 32 residues pruned to eliminate duplicates Z: 19 61.644 2.471 1.220 0.926 1.000 0.833 CB 1.857 19 residues pruned to eliminate duplicates Z: 17 52.765 2.638 0.963 0.944 1.000 0.938 CB 1.764 17 residues pruned to eliminate duplicates Z: 10 18.362 2.384 0.496 0.840 0.889 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 26 60.816 2.557 1.040 0.844 0.960 0.800 CB 1.808 28 residues pruned to eliminate duplicates Z: 21 37.485 2.362 0.836 0.884 0.900 0.750 CB 1.552 21 residues pruned to eliminate duplicates Z: 28 55.390 2.422 0.901 0.837 0.963 0.778 CA 1.798 28 residues pruned to eliminate duplicates Z: 31 77.001 2.542 1.337 0.943 1.000 0.500 CB 1.639 31 residues pruned to eliminate duplicates Z: 27 51.474 2.391 1.345 0.915 0.731 0.538 CB 1.741 27 residues pruned to eliminate duplicates Z: 27 69.975 2.536 1.225 0.924 0.962 0.692 CB 1.775 27 residues pruned to eliminate duplicates Z: 28 60.220 2.426 1.221 0.806 0.926 0.481 CB 1.778 26 residues pruned to eliminate duplicates Z: 50 86.791 2.422 1.161 0.909 1.000 0.735 CB 1.682 81 residues pruned to eliminate duplicates Z: 31 71.457 2.535 1.311 0.947 0.967 0.667 CB 1.593 Z: 26 59.670 2.505 0.985 0.922 0.920 0.840 CA 1.835 26 residues pruned to eliminate duplicates Z: 28 63.535 2.483 1.043 0.949 1.000 0.852 CB 1.664 28 residues pruned to eliminate duplicates Z: 32 58.996 2.425 1.132 0.886 0.935 0.677 CB 1.580 32 residues pruned to eliminate duplicates Z: 21 37.806 2.328 0.670 0.907 0.950 0.850 CB 1.627 21 residues pruned to eliminate duplicates Z: 26 72.215 2.510 1.214 0.909 0.960 0.440 CA 1.921 26 residues pruned to eliminate duplicates Z: 6 10.929 1.965 0.504 0.866 1.000 0.800 CA 1.211 Z: 27 62.771 2.509 1.176 0.822 0.962 0.615 CB 1.775 28 residues pruned to eliminate duplicates Z: 22 58.473 2.495 1.177 0.857 0.952 0.810 CB 1.817 22 residues pruned to eliminate duplicates Z: 32 72.860 2.485 1.489 0.932 0.935 0.677 CB 1.580 31 residues pruned to eliminate duplicates Z: 47 64.806 2.531 1.093 0.569 0.957 0.500 CB 1.764 47 residues pruned to eliminate duplicates Z: 18 34.037 2.311 0.783 0.866 1.000 0.882 CB 1.466 18 residues pruned to eliminate duplicates Z: 28 55.833 2.409 0.869 0.919 0.963 0.778 CB 1.746 28 residues pruned to eliminate duplicates Z: 21 59.018 2.579 1.078 0.870 1.000 0.600 CA 1.797 21 residues pruned to eliminate duplicates Z: 14 39.515 2.641 1.061 0.804 0.846 0.769 CA 1.826 14 residues pruned to eliminate duplicates Z: 29 53.980 2.430 0.918 0.850 0.929 0.679 CB 1.746 29 residues pruned to eliminate duplicates Z: 28 68.959 2.472 1.470 0.896 0.963 0.333 CB 1.616 28 residues pruned to eliminate duplicates Z: 31 49.500 2.362 0.805 0.920 0.967 0.767 CB 1.544 31 residues pruned to eliminate duplicates Z: 19 42.462 2.340 0.827 0.790 1.000 0.556 CA 1.814 19 residues pruned to eliminate duplicates Z: 30 75.891 2.510 1.513 0.949 0.931 0.310 CB 1.655 30 residues pruned to eliminate duplicates Z: 31 73.735 2.549 1.360 0.947 0.967 0.767 CB 1.600 32 residues pruned to eliminate duplicates Z: 27 70.220 2.490 1.430 0.927 1.000 0.462 CB 1.595 27 residues pruned to eliminate duplicates Z: 58 82.625 2.593 1.091 0.686 0.982 0.684 CB 1.732 48 residues pruned to eliminate duplicates Z: 28 67.308 2.423 1.170 0.830 1.000 0.778 CA 1.852 28 residues pruned to eliminate duplicates Z: 31 72.271 2.512 1.367 0.947 0.967 0.500 CB 1.586 31 residues pruned to eliminate duplicates Z: 76 80.564 2.545 0.975 0.622 0.960 0.640 CB 1.719 76 residues pruned to eliminate duplicates Z: 19 52.191 2.358 1.366 0.928 0.944 0.500 CB 1.635 19 residues pruned to eliminate duplicates Z: 28 58.182 2.409 0.959 0.919 0.963 0.815 CB 1.736 28 residues pruned to eliminate duplicates Z: 11 31.120 2.500 0.819 0.754 1.000 0.700 CB 1.725 11 residues pruned to eliminate duplicates Z: 25 75.628 2.573 1.152 0.946 1.000 0.958 CA 1.928 25 residues pruned to eliminate duplicates Z: 18 33.365 2.373 0.631 0.875 1.000 0.824 CB 1.521 Z: 29 53.059 2.368 0.945 0.878 0.857 0.607 CB 1.843 29 residues pruned to eliminate duplicates Z: 31 73.364 2.518 1.430 0.947 0.933 0.467 CB 1.621 31 residues pruned to eliminate duplicates Z: 32 76.001 2.491 1.449 0.945 0.968 0.484 CB 1.601 32 residues pruned to eliminate duplicates Z: 49 53.409 2.378 0.938 0.546 0.938 0.562 CB 1.706 36 residues pruned to eliminate duplicates Z: 19 54.793 2.349 1.338 0.925 0.944 0.611 CB 1.747 19 residues pruned to eliminate duplicates Z: 27 57.066 2.505 0.859 0.864 1.000 0.731 CB 1.761 27 residues pruned to eliminate duplicates Z: 22 56.108 2.502 0.998 0.885 1.000 0.857 CB 1.768 22 residues pruned to eliminate duplicates Z: 20 35.125 2.148 0.903 0.857 1.000 0.632 CB 1.453 18 residues pruned to eliminate duplicates Z: 28 56.055 2.402 1.023 0.922 0.889 0.852 CB 1.756 28 residues pruned to eliminate duplicates Z: 31 69.387 2.521 1.177 0.896 0.967 0.733 CB 1.711 31 residues pruned to eliminate duplicates Z: 22 57.534 2.517 1.119 0.845 1.000 0.714 CA 1.751 22 residues pruned to eliminate duplicates Z: 11 29.095 2.295 0.831 0.882 1.000 0.900 CB 1.585 11 residues pruned to eliminate duplicates Z: 19 64.745 2.472 1.376 0.927 1.000 0.611 CB 1.822 19 residues pruned to eliminate duplicates Z: 27 74.601 2.540 1.406 0.930 0.962 0.500 CB 1.741 27 residues pruned to eliminate duplicates Z: 27 77.058 2.571 1.384 0.935 0.962 0.731 CB 1.786 27 residues pruned to eliminate duplicates Z: 25 46.466 2.569 0.670 0.873 0.875 0.625 CB 1.840 25 residues pruned to eliminate duplicates Z: 29 73.297 2.567 1.370 0.958 0.964 0.500 CB 1.619 29 residues pruned to eliminate duplicates Z: 27 53.530 2.534 1.069 0.855 0.769 0.577 CB 1.921 27 residues pruned to eliminate duplicates Z: 30 49.976 2.446 0.691 0.919 1.000 0.862 CB 1.581 30 residues pruned to eliminate duplicates Z: 26 57.218 2.586 0.966 0.824 0.960 0.680 CB 1.771 26 residues pruned to eliminate duplicates Z: 181 152.122 2.523 1.196 0.711 0.972 0.611 CB 1.738 166 residues pruned to eliminate duplicates Z: 27 78.358 2.437 1.419 0.905 1.000 0.385 CB 1.856 27 residues pruned to eliminate duplicates Z: 30 68.988 2.515 1.231 0.946 1.000 0.759 CB 1.579 30 residues pruned to eliminate duplicates Z: 29 50.216 2.280 1.183 0.876 0.893 0.357 CB 1.552 29 residues pruned to eliminate duplicates Z: 25 63.065 2.572 0.937 0.912 0.958 0.875 CA 1.909 25 residues pruned to eliminate duplicates Z: 27 54.124 2.416 0.867 0.922 0.962 0.769 CB 1.722 27 residues pruned to eliminate duplicates Z: 18 35.812 2.325 0.992 0.825 0.941 0.471 CB 1.504 18 residues pruned to eliminate duplicates Z: 16 40.061 2.322 1.324 0.835 0.867 0.467 CB 1.656 16 residues pruned to eliminate duplicates Z: 27 48.618 2.380 0.680 0.908 1.000 0.846 CA 1.693 27 residues pruned to eliminate duplicates Z: 24 73.900 2.594 1.111 0.954 1.000 0.870 CA 1.934 24 residues pruned to eliminate duplicates Z: 27 60.442 2.252 1.086 0.908 1.000 0.538 CB 1.792 27 residues pruned to eliminate duplicates Z: 27 49.418 2.474 0.730 0.870 0.962 0.731 CB 1.719 27 residues pruned to eliminate duplicates Z: 26 67.398 2.357 1.406 0.942 0.960 0.800 CB 1.716 26 residues pruned to eliminate duplicates Z: 25 78.212 2.514 1.633 0.924 0.917 0.250 CB 1.848 25 residues pruned to eliminate duplicates Z: 18 35.496 2.372 0.762 0.873 1.000 0.765 CB 1.501 20 residues pruned to eliminate duplicates Z: 172 149.483 2.545 1.200 0.723 0.971 0.602 CB 1.721 131 residues pruned to eliminate duplicates Z: 27 63.689 2.422 1.264 0.933 0.923 0.462 CB 1.722 27 residues pruned to eliminate duplicates Z: 29 59.670 2.415 1.061 0.857 0.929 0.536 CB 1.798 29 residues pruned to eliminate duplicates Z: 184 137.418 2.498 1.194 0.704 0.918 0.607 CB 1.677 184 residues pruned to eliminate duplicates Z: 24 56.742 2.510 0.806 0.910 1.000 0.957 CA 1.851 24 residues pruned to eliminate duplicates Z: 26 60.741 2.479 0.904 0.913 1.000 0.840 CA 1.822 26 residues pruned to eliminate duplicates Z: 27 45.375 2.485 0.844 0.836 0.808 0.538 CB 1.801 27 residues pruned to eliminate duplicates Z: 113 98.113 2.551 0.865 0.654 0.946 0.652 CB 1.784 113 residues pruned to eliminate duplicates Z: 30 70.197 2.464 1.325 0.930 0.931 0.414 CB 1.709 30 residues pruned to eliminate duplicates Z: 29 59.293 2.325 0.962 0.940 1.000 0.821 CB 1.705 29 residues pruned to eliminate duplicates Z: 18 41.957 2.357 1.348 0.865 0.882 0.529 CB 1.527 18 residues pruned to eliminate duplicates Z: 28 50.957 2.424 0.928 0.823 0.926 0.481 CB 1.713 28 residues pruned to eliminate duplicates Z: 25 86.867 2.564 1.454 0.950 1.000 0.458 CB 1.943 25 residues pruned to eliminate duplicates Z: 7 11.549 1.934 0.407 0.819 1.000 0.667 CA 1.313 7 residues pruned to eliminate duplicates Z: 19 60.800 2.447 1.313 0.922 1.000 0.500 CB 1.780 19 residues pruned to eliminate duplicates Z: 6 8.186 2.102 0.320 0.612 0.800 0.600 CA 1.483 6 residues pruned to eliminate duplicates Z: 21 44.778 2.511 1.068 0.793 0.850 0.550 CA 1.754 21 residues pruned to eliminate duplicates Z: 23 48.835 2.450 0.952 0.907 0.955 0.818 CB 1.621 23 residues pruned to eliminate duplicates Z: 31 70.802 2.516 1.349 0.914 0.967 0.667 CB 1.601 31 residues pruned to eliminate duplicates Z: 16 51.310 2.416 1.201 0.913 1.000 0.533 CB 1.764 16 residues pruned to eliminate duplicates Z: 11 31.357 2.424 0.907 0.801 1.000 0.700 CA 1.648 11 residues pruned to eliminate duplicates Z: 31 67.831 2.490 1.216 0.953 0.967 0.400 CB 1.598 31 residues pruned to eliminate duplicates Z: 19 38.678 2.255 1.181 0.859 0.889 0.278 CB 1.535 19 residues pruned to eliminate duplicates Z: 6 4.943 1.978 0.415 0.394 0.600 0.200 CB 1.473 Z: 22 56.667 2.487 0.976 0.880 1.000 0.762 CA 1.823 22 residues pruned to eliminate duplicates Z: 28 70.338 2.510 1.228 0.937 1.000 0.704 CB 1.684 28 residues pruned to eliminate duplicates Z: 11 22.375 2.416 0.610 0.742 0.900 0.800 CA 1.627 11 residues pruned to eliminate duplicates Z: 28 68.710 2.500 1.263 0.932 1.000 0.593 CB 1.632 28 residues pruned to eliminate duplicates Z: 19 37.686 2.373 1.050 0.816 0.944 0.611 CB 1.469 18 residues pruned to eliminate duplicates Z: 24 77.010 2.554 1.293 0.952 1.000 0.478 CB 1.889 24 residues pruned to eliminate duplicates Z: 29 60.110 2.377 1.008 0.837 1.000 0.714 CB 1.781 29 residues pruned to eliminate duplicates Z: 10 34.880 2.624 0.691 0.888 1.000 0.778 CB 1.887 10 residues pruned to eliminate duplicates Z: 27 46.192 2.374 0.919 0.825 0.846 0.654 CB 1.773 27 residues pruned to eliminate duplicates Z: 28 67.418 2.390 1.251 0.935 1.000 0.481 CB 1.680 28 residues pruned to eliminate duplicates Z: 6 7.433 1.518 1.100 0.801 1.000 0.800 CA 0.801 Z: 29 53.282 2.412 0.833 0.824 1.000 0.750 CB 1.720 29 residues pruned to eliminate duplicates Z: 24 64.291 2.379 1.252 0.944 0.957 0.652 CB 1.813 24 residues pruned to eliminate duplicates Z: 143 133.840 2.576 1.096 0.709 0.979 0.697 CB 1.757 143 residues pruned to eliminate duplicates Z: 24 84.462 2.610 1.567 0.939 0.957 0.739 CB 1.910 24 residues pruned to eliminate duplicates Z: 7 8.495 1.990 0.403 0.687 0.833 0.833 CA 1.256 7 residues pruned to eliminate duplicates Z: 31 75.295 2.542 1.396 0.953 0.967 0.633 CB 1.607 31 residues pruned to eliminate duplicates Z: 6 10.688 2.227 0.443 0.627 0.800 0.800 CA 1.650 6 residues pruned to eliminate duplicates Z: 20 36.721 2.170 1.012 0.895 1.000 0.789 CB 1.383 19 residues pruned to eliminate duplicates Z: 20 31.640 2.205 0.985 0.777 0.842 0.421 CB 1.542 20 residues pruned to eliminate duplicates Z: 20 58.935 2.349 1.300 0.916 1.000 0.789 CB 1.767 20 residues pruned to eliminate duplicates Z: 26 67.792 2.460 1.207 0.911 0.960 0.600 CB 1.844 26 residues pruned to eliminate duplicates Z: 18 34.316 2.331 0.963 0.869 0.941 0.529 CB 1.412 18 residues pruned to eliminate duplicates Z: 19 32.040 2.252 0.791 0.851 1.000 0.500 CB 1.386 19 residues pruned to eliminate duplicates Z: 28 61.816 2.378 1.366 0.928 0.926 0.444 CB 1.599 28 residues pruned to eliminate duplicates Z: 6 8.574 1.796 1.084 0.845 1.000 0.800 CB 0.762 6 residues pruned to eliminate duplicates Z: 26 52.187 2.463 0.711 0.920 0.960 0.880 CA 1.817 26 residues pruned to eliminate duplicates Z: 26 54.515 2.459 0.819 0.919 0.960 0.800 CA 1.789 26 residues pruned to eliminate duplicates Z: 18 49.550 2.582 0.880 0.921 1.000 0.765 CB 1.742 18 residues pruned to eliminate duplicates Z: 28 66.514 2.503 1.231 0.909 0.963 0.593 CB 1.689 28 residues pruned to eliminate duplicates Z: 16 37.616 2.262 0.966 0.863 0.867 0.533 CA 1.848 16 residues pruned to eliminate duplicates Z: 32 73.295 2.477 1.388 0.903 0.968 0.355 CB 1.639 32 residues pruned to eliminate duplicates Z: 20 35.034 2.231 0.814 0.884 1.000 0.737 CB 1.435 20 residues pruned to eliminate duplicates Z: 11 12.980 1.998 0.912 0.670 0.700 0.400 CB 1.312 11 residues pruned to eliminate duplicates Z: 28 64.009 2.420 1.043 0.926 1.000 0.630 CB 1.748 28 residues pruned to eliminate duplicates Z: 26 64.537 2.469 1.431 0.895 0.840 0.240 CB 1.835 26 residues pruned to eliminate duplicates Z: 18 34.494 2.298 0.948 0.850 0.941 0.647 CB 1.472 18 residues pruned to eliminate duplicates Z: 8 36.882 2.435 1.131 0.890 1.000 1.000 CA 1.933 8 residues pruned to eliminate duplicates Z: 29 55.892 2.306 0.952 0.873 1.000 0.750 CB 1.709 29 residues pruned to eliminate duplicates Z: 22 57.077 2.494 1.009 0.889 1.000 0.905 CB 1.790 22 residues pruned to eliminate duplicates Z: 168 129.684 2.491 1.101 0.686 0.952 0.611 CB 1.699 168 residues pruned to eliminate duplicates Z: 11 19.224 2.401 0.718 0.710 0.900 0.500 CB 1.353 11 residues pruned to eliminate duplicates Z: 31 82.941 2.544 1.602 0.952 0.967 0.567 CB 1.630 31 residues pruned to eliminate duplicates Z: 146 131.081 2.497 1.245 0.697 0.966 0.552 CB 1.681 146 residues pruned to eliminate duplicates Z: 25 93.492 2.598 1.527 0.943 1.000 0.542 CB 2.014 25 residues pruned to eliminate duplicates Z: 13 32.901 2.439 0.543 0.933 1.000 1.000 CA 1.761 13 residues pruned to eliminate duplicates Z: 28 61.575 2.408 1.093 0.886 0.963 0.778 CB 1.762 28 residues pruned to eliminate duplicates Z: 26 73.697 2.452 1.396 0.945 1.000 0.600 CB 1.736 26 residues pruned to eliminate duplicates Z: 26 72.976 2.491 1.372 0.910 0.920 0.480 CB 1.904 26 residues pruned to eliminate duplicates Z: 14 33.387 2.339 0.695 0.832 1.000 0.692 CA 1.753 14 residues pruned to eliminate duplicates Z: 11 22.543 2.227 0.745 0.856 0.900 0.600 CB 1.503 18 residues pruned to eliminate duplicates Z: 28 53.405 2.480 0.807 0.916 1.000 0.704 CB 1.620 28 residues pruned to eliminate duplicates Z: 14 43.469 2.427 0.936 0.931 1.000 0.615 CA 1.794 14 residues pruned to eliminate duplicates Z: 11 17.736 2.395 0.478 0.791 0.900 0.600 CB 1.364 11 residues pruned to eliminate duplicates Z: 11 25.380 2.425 0.671 0.831 0.900 0.900 CA 1.654 11 residues pruned to eliminate duplicates Z: 18 47.530 2.494 1.101 0.887 0.941 0.882 CB 1.686 18 residues pruned to eliminate duplicates Z: 12 28.329 2.101 1.278 0.825 1.000 0.545 CB 1.347 12 residues pruned to eliminate duplicates Z: 94 104.082 2.466 1.274 0.750 0.935 0.505 CB 1.646 94 residues pruned to eliminate duplicates Z: 175 147.893 2.565 1.212 0.697 0.948 0.609 CB 1.740 175 residues pruned to eliminate duplicates Z: 15 13.799 2.162 0.429 0.432 0.786 0.429 CA 1.629 21 residues pruned to eliminate duplicates Z: 13 22.659 2.046 0.826 0.802 1.000 0.583 CA 1.345 13 residues pruned to eliminate duplicates Z: 18 53.377 2.582 1.039 0.923 1.000 0.824 CB 1.728 18 residues pruned to eliminate duplicates Z: 28 62.973 2.463 1.139 0.865 0.963 0.741 CB 1.750 28 residues pruned to eliminate duplicates Z: 27 63.825 2.547 0.934 0.932 1.000 0.808 CB 1.774 27 residues pruned to eliminate duplicates Z: 19 31.554 2.248 0.655 0.871 1.000 0.889 CB 1.458 19 residues pruned to eliminate duplicates Z: 22 53.977 2.483 1.095 0.847 0.952 0.810 CB 1.766 22 residues pruned to eliminate duplicates Z: 24 58.246 2.551 0.788 0.927 1.000 0.957 CA 1.865 24 residues pruned to eliminate duplicates Z: 25 56.275 2.555 0.824 0.931 0.958 0.875 CB 1.798 25 residues pruned to eliminate duplicates Z: 28 65.866 2.484 1.177 0.852 0.963 0.630 CB 1.801 28 residues pruned to eliminate duplicates Z: 32 59.487 2.387 1.009 0.892 1.000 0.516 CB 1.600 32 residues pruned to eliminate duplicates Z: 142 119.636 2.495 1.000 0.698 0.972 0.709 CB 1.734 142 residues pruned to eliminate duplicates Z: 28 57.286 2.390 0.834 0.907 0.963 0.815 CA 1.856 28 residues pruned to eliminate duplicates Z: 11 32.577 2.404 0.850 0.828 1.000 0.800 CA 1.743 11 residues pruned to eliminate duplicates Z: 179 143.015 2.571 1.057 0.684 0.961 0.652 CB 1.782 179 residues pruned to eliminate duplicates Z: 160 136.663 2.534 1.168 0.709 0.950 0.579 CB 1.718 160 residues pruned to eliminate duplicates Z: 22 55.146 2.459 1.062 0.886 0.952 0.571 CB 1.799 22 residues pruned to eliminate duplicates Z: 24 79.660 2.609 1.397 0.930 0.957 0.565 CB 1.942 24 residues pruned to eliminate duplicates Z: 29 57.250 2.402 1.061 0.815 0.929 0.607 CA 1.790 29 residues pruned to eliminate duplicates Z: 27 54.642 2.410 0.836 0.936 0.962 0.846 CB 1.754 27 residues pruned to eliminate duplicates Z: 171 147.234 2.556 1.174 0.733 0.959 0.582 CB 1.719 171 residues pruned to eliminate duplicates Z: 18 37.739 2.202 1.020 0.785 1.000 0.647 CB 1.601 18 residues pruned to eliminate duplicates Z: 29 59.668 2.429 1.103 0.805 1.000 0.643 CB 1.692 29 residues pruned to eliminate duplicates Z: 25 56.037 2.367 1.255 0.840 1.000 0.458 CB 1.598 25 residues pruned to eliminate duplicates Z: 18 32.794 2.519 0.755 0.548 0.941 0.588 CB 1.825 18 residues pruned to eliminate duplicates Z: 25 59.055 2.370 1.082 0.918 0.958 0.875 CB 1.797 25 residues pruned to eliminate duplicates Z: 27 47.333 2.372 1.061 0.902 0.846 0.500 CB 1.601 27 residues pruned to eliminate duplicates Z: 19 38.835 2.209 1.142 0.866 1.000 0.833 CB 1.417 19 residues pruned to eliminate duplicates Z: 6 2.981 1.952 0.348 0.459 0.600 0.600 CB 0.881 Z: 29 49.839 2.422 0.982 0.755 0.929 0.643 CB 1.683 29 residues pruned to eliminate duplicates Z: 229 152.480 2.538 1.002 0.699 0.943 0.689 CB 1.758 228 residues pruned to eliminate duplicates Z: 144 118.127 2.491 1.062 0.693 0.937 0.741 CB 1.720 144 residues pruned to eliminate duplicates Z: 65 82.408 2.597 0.894 0.732 0.984 0.781 CB 1.728 65 residues pruned to eliminate duplicates Z: 21 51.476 2.522 0.995 0.842 0.950 0.650 CA 1.796 21 residues pruned to eliminate duplicates Z: 7 14.379 1.910 0.772 0.726 1.000 0.667 CA 1.416 7 residues pruned to eliminate duplicates Z: 28 69.189 2.485 1.292 0.935 1.000 0.667 CB 1.629 28 residues pruned to eliminate duplicates Z: 6 7.206 1.453 0.857 0.766 0.800 0.600 CA 1.180 6 residues pruned to eliminate duplicates Z: 26 68.601 2.532 1.126 0.936 0.920 0.680 CA 1.930 26 residues pruned to eliminate duplicates Z: 11 23.073 2.416 0.491 0.905 1.000 1.000 CB 1.442 11 residues pruned to eliminate duplicates Z: 14 45.429 2.541 1.212 0.924 0.923 0.846 CB 1.706 14 residues pruned to eliminate duplicates Z: 31 68.374 2.532 1.003 0.951 1.000 0.833 CB 1.696 31 residues pruned to eliminate duplicates Z: 12 26.832 2.408 0.591 0.912 1.000 0.909 CA 1.496 12 residues pruned to eliminate duplicates Z: 28 48.953 2.475 0.925 0.783 0.889 0.444 CB 1.733 28 residues pruned to eliminate duplicates Z: 27 50.427 2.313 1.051 0.796 0.885 0.615 CA 1.819 27 residues pruned to eliminate duplicates Z: 171 156.514 2.548 1.227 0.747 0.976 0.641 CB 1.738 170 residues pruned to eliminate duplicates Z: 182 155.516 2.553 1.189 0.695 0.972 0.586 CB 1.780 163 residues pruned to eliminate duplicates Z: 27 59.300 2.420 1.192 0.875 0.885 0.577 CB 1.802 27 residues pruned to eliminate duplicates Z: 10 30.940 2.364 1.006 0.890 1.000 0.778 CB 1.565 10 residues pruned to eliminate duplicates Z: 12 29.930 2.276 0.853 0.827 1.000 0.545 CA 1.612 12 residues pruned to eliminate duplicates Z: 22 56.400 2.464 1.050 0.837 1.000 0.714 CB 1.823 22 residues pruned to eliminate duplicates Z: 6 6.182 2.123 -0.122 0.653 0.800 0.600 CA 1.608 6 residues pruned to eliminate duplicates Z: 21 25.703 2.006 0.823 0.887 0.900 0.550 CB 1.259 21 residues pruned to eliminate duplicates Z: 27 66.445 2.493 1.192 0.870 0.962 0.577 CB 1.810 27 residues pruned to eliminate duplicates Z: 26 48.524 2.504 0.813 0.865 0.960 0.640 CB 1.631 26 residues pruned to eliminate duplicates Z: 28 56.373 2.427 1.115 0.818 0.963 0.667 CB 1.666 28 residues pruned to eliminate duplicates Z: 25 77.178 2.561 1.483 0.916 0.958 0.458 CB 1.826 25 residues pruned to eliminate duplicates Z: 182 152.592 2.568 1.150 0.697 0.967 0.619 CB 1.775 65 residues pruned to eliminate duplicates Z: 27 68.408 2.421 1.440 0.935 0.962 0.692 CB 1.646 27 residues pruned to eliminate duplicates Z: 184 147.066 2.563 1.156 0.700 0.951 0.579 CB 1.725 184 residues pruned to eliminate duplicates Z: 28 64.788 2.461 1.324 0.922 0.963 0.519 CB 1.593 28 residues pruned to eliminate duplicates Z: 27 81.066 2.436 1.486 0.939 0.962 0.538 CA 1.897 27 residues pruned to eliminate duplicates Z: 11 28.758 2.164 0.719 0.877 1.000 0.800 CB 1.775 11 residues pruned to eliminate duplicates Z: 10 38.579 2.660 0.912 0.906 1.000 0.778 CB 1.799 10 residues pruned to eliminate duplicates Z: 27 67.774 2.438 1.244 0.918 1.000 0.462 CB 1.713 27 residues pruned to eliminate duplicates Z: 9 4.324 1.615 0.422 0.454 0.750 0.250 N 0.930 9 residues pruned to eliminate duplicates Z: 230 164.409 2.508 1.150 0.721 0.969 0.620 CB 1.703 237 residues pruned to eliminate duplicates Z: 104 88.079 2.445 1.021 0.584 0.942 0.612 CB 1.720 104 residues pruned to eliminate duplicates Z: 7 4.232 1.433 0.110 0.738 1.000 0.667 CA 0.877 Z: 6 8.214 2.128 0.212 0.776 0.800 0.600 CB 1.395 13 residues pruned to eliminate duplicates Z: 11 20.507 2.352 0.576 0.797 1.000 0.700 CB 1.349 11 residues pruned to eliminate duplicates Z: 24 50.569 2.322 1.161 0.869 0.913 0.304 CA 1.681 24 residues pruned to eliminate duplicates Z: 23 53.095 2.571 0.882 0.896 1.000 0.864 CB 1.676 23 residues pruned to eliminate duplicates Z: 8 15.638 2.500 0.422 0.361 1.000 0.714 CB 1.932 8 residues pruned to eliminate duplicates Z: 24 54.568 2.547 0.971 0.932 0.957 0.783 CB 1.655 24 residues pruned to eliminate duplicates Z: 183 143.296 2.560 1.124 0.698 0.945 0.560 CB 1.726 183 residues pruned to eliminate duplicates Z: 184 150.109 2.512 1.127 0.774 0.945 0.689 CB 1.724 290 residues pruned to eliminate duplicates Z: 11 20.472 2.300 0.569 0.847 0.900 0.700 CB 1.480 11 residues pruned to eliminate duplicates Z: 13 15.008 2.067 0.619 0.444 0.917 0.583 CB 1.497 13 residues pruned to eliminate duplicates Z: 31 71.413 2.538 1.256 0.943 0.967 0.667 CB 1.633 31 residues pruned to eliminate duplicates Z: 99 102.222 2.499 1.064 0.737 0.949 0.602 CB 1.704 99 residues pruned to eliminate duplicates Z: 9 9.492 1.759 0.480 0.744 1.000 0.750 CA 1.036 9 residues pruned to eliminate duplicates Z: 19 65.601 2.477 1.489 0.939 1.000 0.889 CB 1.743 19 residues pruned to eliminate duplicates Z: 19 33.672 2.240 0.705 0.866 1.000 0.778 CB 1.521 19 residues pruned to eliminate duplicates Z: 230 150.851 2.493 1.021 0.710 0.939 0.659 CB 1.742 230 residues pruned to eliminate duplicates Z: 7 8.679 1.817 0.357 0.826 1.000 0.833 CB 1.083 7 residues pruned to eliminate duplicates Z: 27 46.938 2.238 1.054 0.831 0.923 0.808 CB 1.630 27 residues pruned to eliminate duplicates Z: 14 29.101 2.322 0.793 0.867 0.846 0.615 CA 1.676 14 residues pruned to eliminate duplicates Z: 27 65.971 2.301 1.308 0.916 1.000 0.500 CB 1.720 27 residues pruned to eliminate duplicates Z: 185 138.418 2.506 1.127 0.710 0.929 0.576 CB 1.703 185 residues pruned to eliminate duplicates Z: 8 14.741 1.871 0.736 0.893 1.000 0.857 CA 1.232 8 residues pruned to eliminate duplicates Z: 20 35.406 2.169 1.042 0.788 0.947 0.526 CB 1.502 20 residues pruned to eliminate duplicates Z: 18 27.571 2.314 0.708 0.518 0.941 0.471 CB 1.766 18 residues pruned to eliminate duplicates Z: 20 61.086 2.498 1.299 0.935 1.000 0.789 CB 1.701 20 residues pruned to eliminate duplicates Z: 6 3.478 1.735 0.488 0.371 0.800 0.400 CB 0.865 Z: 49 52.198 2.389 0.862 0.624 0.854 0.604 CB 1.764 49 residues pruned to eliminate duplicates Z: 26 59.767 2.412 1.299 0.912 0.840 0.640 CB 1.818 26 residues pruned to eliminate duplicates Z: 43 52.668 2.509 0.772 0.605 0.929 0.643 CB 1.781 43 residues pruned to eliminate duplicates Z: 15 23.605 2.150 0.769 0.757 0.857 0.786 CB 1.540 15 residues pruned to eliminate duplicates Z: 23 46.618 2.507 1.102 0.931 0.909 0.636 CB 1.450 23 residues pruned to eliminate duplicates Z: 17 50.538 2.387 1.396 0.913 0.875 0.312 CB 1.787 17 residues pruned to eliminate duplicates Z: 11 37.279 2.510 1.016 0.751 1.000 0.600 CB 1.862 11 residues pruned to eliminate duplicates Z: 48 55.906 2.391 1.049 0.574 0.936 0.596 CB 1.655 48 residues pruned to eliminate duplicates Z: 7 10.925 1.839 0.478 0.796 1.000 0.833 CB 1.267 7 residues pruned to eliminate duplicates Z: 149 115.672 2.474 0.962 0.683 0.959 0.716 CB 1.726 149 residues pruned to eliminate duplicates Z: 32 68.489 2.461 1.240 0.906 0.968 0.645 CB 1.640 32 residues pruned to eliminate duplicates Z: 16 72.128 2.664 1.673 0.950 1.000 0.667 CB 1.804 16 residues pruned to eliminate duplicates Z: 74 71.120 2.437 1.017 0.599 0.959 0.562 CB 1.607 74 residues pruned to eliminate duplicates Z: 7 3.310 1.610 0.408 0.368 0.833 0.333 CB 0.824 Z: 28 31.599 2.349 0.805 0.396 0.926 0.481 CB 1.728 28 residues pruned to eliminate duplicates Z: 179 146.066 2.519 1.216 0.686 0.949 0.629 CB 1.741 179 residues pruned to eliminate duplicates Z: 23 51.413 2.396 0.887 0.856 1.000 0.818 CA 1.788 23 residues pruned to eliminate duplicates Z: 22 35.983 2.334 1.094 0.713 0.905 0.619 CB 1.464 22 residues pruned to eliminate duplicates Z: 125 119.190 2.550 1.052 0.742 0.935 0.726 CB 1.761 125 residues pruned to eliminate duplicates Z: 136 124.539 2.480 1.151 0.721 0.956 0.689 CB 1.722 136 residues pruned to eliminate duplicates Z: 219 161.144 2.523 1.160 0.724 0.950 0.560 CB 1.723 219 residues pruned to eliminate duplicates Z: 183 148.100 2.520 1.167 0.693 0.967 0.654 CB 1.743 183 residues pruned to eliminate duplicates Z: 20 59.409 2.551 1.260 0.836 1.000 0.842 CB 1.770 20 residues pruned to eliminate duplicates Z: 18 40.562 2.328 0.990 0.772 0.941 0.706 CB 1.774 18 residues pruned to eliminate duplicates Z: 15 37.369 2.331 1.284 0.901 0.929 0.643 CB 1.441 15 residues pruned to eliminate duplicates Z: 28 59.396 2.462 0.933 0.930 1.000 0.778 CB 1.680 28 residues pruned to eliminate duplicates Z: 25 64.874 2.441 1.351 0.899 0.917 0.458 CB 1.799 25 residues pruned to eliminate duplicates Z: 283 184.086 2.522 1.185 0.697 0.968 0.592 CB 1.716 283 residues pruned to eliminate duplicates Z: 15 18.867 2.194 0.566 0.490 0.929 0.429 CA 1.597 15 residues pruned to eliminate duplicates Z: 8 2.237 1.699 0.771 0.321 0.571 0.571 CB 0.599 Z: 12 20.669 2.221 0.793 0.807 0.909 0.636 CB 1.317 12 residues pruned to eliminate duplicates Z: 31 73.484 2.432 1.586 0.929 0.967 0.333 CB 1.544 31 residues pruned to eliminate duplicates Z: 6 2.184 1.707 -0.215 0.575 1.000 0.600 CB 0.678 Z: 204 143.917 2.490 1.126 0.668 0.946 0.567 CB 1.728 204 residues pruned to eliminate duplicates Z: 30 62.018 2.536 0.947 0.941 0.966 0.931 CB 1.676 30 residues pruned to eliminate duplicates Z: 10 35.777 2.640 0.704 0.894 1.000 1.000 CB 1.901 10 residues pruned to eliminate duplicates Z: 19 34.597 2.389 0.795 0.806 0.944 0.833 CB 1.542 Z: 27 51.025 2.399 0.880 0.817 0.923 0.577 CA 1.825 27 residues pruned to eliminate duplicates Z: 20 27.801 2.029 0.811 0.824 0.895 0.789 CB 1.465 20 residues pruned to eliminate duplicates Z: 6 10.785 2.263 0.008 0.789 1.000 0.400 CA 1.640 6 residues pruned to eliminate duplicates Z: 89 99.552 2.547 1.175 0.673 0.943 0.545 CB 1.730 89 residues pruned to eliminate duplicates Z: 181 135.974 2.547 1.022 0.685 0.939 0.661 CB 1.769 181 residues pruned to eliminate duplicates Z: 226 162.022 2.535 1.123 0.696 0.960 0.618 CB 1.747 228 residues pruned to eliminate duplicates Z: 10 13.520 2.016 0.572 0.533 0.889 0.778 CA 1.550 10 residues pruned to eliminate duplicates Z: 24 34.587 2.224 0.944 0.729 0.783 0.652 CB 1.734 24 residues pruned to eliminate duplicates Z: 20 36.413 2.206 0.915 0.855 1.000 0.632 CB 1.460 19 residues pruned to eliminate duplicates Z: 18 37.896 2.315 1.021 0.815 0.941 0.706 CB 1.588 18 residues pruned to eliminate duplicates Z: 30 57.458 2.517 0.920 0.917 0.931 0.724 CB 1.673 30 residues pruned to eliminate duplicates Z: 127 123.400 2.549 1.031 0.752 0.976 0.706 CB 1.738 127 residues pruned to eliminate duplicates Z: 10 28.272 2.268 0.852 0.864 1.000 0.444 CB 1.645 10 residues pruned to eliminate duplicates Z: 179 132.630 2.514 1.147 0.663 0.921 0.517 CB 1.719 179 residues pruned to eliminate duplicates Z: 51 59.162 2.404 1.018 0.542 0.960 0.600 CB 1.723 51 residues pruned to eliminate duplicates Z: 50 57.645 2.410 0.879 0.621 0.959 0.592 CB 1.691 50 residues pruned to eliminate duplicates Z: 57 50.553 2.348 0.880 0.523 0.911 0.554 CB 1.643 57 residues pruned to eliminate duplicates Z: 10 25.569 2.147 0.814 0.893 1.000 0.778 CA 1.571 10 residues pruned to eliminate duplicates Z: 13 11.285 1.970 0.439 0.464 1.000 0.333 CB 1.192 13 residues pruned to eliminate duplicates Z: 27 56.530 2.496 0.942 0.846 1.000 0.731 CB 1.699 27 residues pruned to eliminate duplicates Z: 108 106.748 2.525 1.015 0.729 0.935 0.776 CB 1.767 108 residues pruned to eliminate duplicates Z: 182 145.428 2.505 1.161 0.705 0.956 0.635 CB 1.733 129 residues pruned to eliminate duplicates Z: 210 157.191 2.524 1.185 0.686 0.971 0.545 CB 1.712 210 residues pruned to eliminate duplicates Z: 37 59.592 2.403 0.963 0.781 0.972 0.778 CB 1.691 37 residues pruned to eliminate duplicates Z: 87 91.791 2.489 1.099 0.660 0.942 0.570 CB 1.734 87 residues pruned to eliminate duplicates Z: 30 83.689 2.537 1.564 0.954 1.000 0.586 CB 1.644 30 residues pruned to eliminate duplicates Z: 76 82.007 2.494 1.086 0.683 0.880 0.560 CB 1.748 76 residues pruned to eliminate duplicates Z: 21 33.795 2.179 1.018 0.791 0.950 0.700 CB 1.401 21 residues pruned to eliminate duplicates Z: 7 11.106 1.955 0.578 0.819 0.833 0.667 CB 1.337 Z: 18 41.846 2.227 1.141 0.887 1.000 0.824 CB 1.535 18 residues pruned to eliminate duplicates Z: 46 91.321 2.504 1.331 0.799 1.000 0.756 CB 1.795 20 residues pruned to eliminate duplicates Z: 153 124.015 2.479 1.034 0.767 0.928 0.645 CB 1.698 54 residues pruned to eliminate duplicates Z: 7 10.431 1.773 0.369 0.817 1.000 0.833 CB 1.332 7 residues pruned to eliminate duplicates Z: 7 6.474 1.436 0.332 0.820 1.000 0.500 N 1.047 7 residues pruned to eliminate duplicates Z: 17 23.057 2.343 0.708 0.461 0.875 0.500 CB 1.713 17 residues pruned to eliminate duplicates Z: 8 8.709 2.053 0.867 0.287 0.857 0.429 CB 1.273 8 residues pruned to eliminate duplicates Z: 122 108.049 2.538 0.954 0.655 0.967 0.587 CB 1.773 122 residues pruned to eliminate duplicates Z: 14 23.001 2.427 0.732 0.849 0.846 0.462 CB 1.330 14 residues pruned to eliminate duplicates Z: 182 137.903 2.536 1.128 0.688 0.923 0.564 CB 1.733 182 residues pruned to eliminate duplicates Z: 22 50.191 2.421 1.005 0.894 1.000 0.667 CB 1.618 22 residues pruned to eliminate duplicates Z: 25 80.939 2.577 1.363 0.936 0.958 0.458 CB 1.971 25 residues pruned to eliminate duplicates Z: 23 64.929 2.593 1.392 0.939 0.955 0.727 CB 1.625 23 residues pruned to eliminate duplicates Z: 40 38.826 2.291 0.855 0.452 0.923 0.487 CB 1.665 40 residues pruned to eliminate duplicates Z: 117 126.153 2.574 1.102 0.788 0.948 0.819 CB 1.772 117 residues pruned to eliminate duplicates Z: 17 53.772 2.373 1.393 0.920 0.938 0.562 CB 1.778 17 residues pruned to eliminate duplicates Z: 7 17.542 2.175 0.779 0.750 1.000 0.500 CA 1.481 7 residues pruned to eliminate duplicates Z: 26 68.105 2.447 1.448 0.895 0.960 0.400 CB 1.698 26 residues pruned to eliminate duplicates Z: 22 44.887 2.303 1.043 0.833 0.905 0.571 CB 1.727 22 residues pruned to eliminate duplicates Z: 7 7.676 1.601 0.475 0.833 1.000 0.500 CB 0.995 7 residues pruned to eliminate duplicates Z: 237 163.520 2.507 1.156 0.704 0.949 0.589 CB 1.723 237 residues pruned to eliminate duplicates Z: 227 158.431 2.519 1.092 0.702 0.951 0.615 CB 1.749 173 residues pruned to eliminate duplicates Z: 26 82.288 2.499 1.377 0.924 1.000 0.480 CA 1.946 26 residues pruned to eliminate duplicates Z: 132 122.386 2.551 1.066 0.662 0.969 0.588 CB 1.801 132 residues pruned to eliminate duplicates Z: 93 98.265 2.523 1.096 0.644 0.989 0.620 CB 1.712 93 residues pruned to eliminate duplicates Z: 100 105.141 2.518 1.030 0.722 0.980 0.727 CB 1.727 100 residues pruned to eliminate duplicates Z: 91 100.851 2.550 1.075 0.723 0.922 0.611 CB 1.781 91 residues pruned to eliminate duplicates Z: 13 23.081 2.325 1.138 0.719 0.917 0.750 CB 1.200 13 residues pruned to eliminate duplicates Z: 185 142.478 2.522 1.152 0.686 0.935 0.582 CB 1.746 185 residues pruned to eliminate duplicates Z: 30 49.267 2.337 0.892 0.816 0.931 0.586 CB 1.689 30 residues pruned to eliminate duplicates Z: 10 22.631 2.181 0.840 0.892 0.889 0.778 CB 1.520 10 residues pruned to eliminate duplicates Z: 18 40.385 2.335 0.858 0.947 0.941 0.941 CA 1.657 18 residues pruned to eliminate duplicates Z: 18 62.077 2.459 1.504 0.896 1.000 0.353 CB 1.752 18 residues pruned to eliminate duplicates Z: 72 65.276 2.448 0.900 0.611 0.901 0.648 CB 1.662 72 residues pruned to eliminate duplicates Z: 95 108.845 2.574 1.255 0.681 0.947 0.585 CB 1.731 95 residues pruned to eliminate duplicates Z: 18 31.334 2.278 0.914 0.896 0.882 0.529 CB 1.414 18 residues pruned to eliminate duplicates Z: 7 16.910 1.988 0.897 0.824 1.000 0.667 CB 1.383 7 residues pruned to eliminate duplicates Z: 15 30.012 2.406 0.957 0.871 0.929 0.500 CB 1.338 15 residues pruned to eliminate duplicates Z: 45 55.919 2.409 0.990 0.700 0.886 0.568 CB 1.654 45 residues pruned to eliminate duplicates Z: 23 48.104 2.487 1.041 0.803 0.864 0.591 CB 1.795 23 residues pruned to eliminate duplicates Z: 28 47.103 2.291 0.619 0.922 1.000 0.889 CB 1.719 28 residues pruned to eliminate duplicates Z: 6 2.375 1.674 0.272 0.292 0.800 0.600 CB 0.788 Z: 7 6.875 1.494 0.428 0.794 0.833 0.833 CA 1.220 Z: 58 66.561 2.456 1.046 0.702 0.877 0.596 CB 1.664 58 residues pruned to eliminate duplicates Z: 11 9.674 1.873 0.580 0.775 0.900 0.500 CB 0.901 11 residues pruned to eliminate duplicates Z: 22 17.545 1.940 0.605 0.375 0.952 0.524 CB 1.474 22 residues pruned to eliminate duplicates Z: 94 104.702 2.508 1.107 0.759 0.946 0.806 CB 1.725 53 residues pruned to eliminate duplicates Z: 52 88.883 2.621 1.146 0.807 1.000 0.863 CB 1.693 32 residues pruned to eliminate duplicates Z: 117 106.318 2.481 0.955 0.724 0.957 0.759 CB 1.738 91 residues pruned to eliminate duplicates Z: 41 69.376 2.441 0.974 0.786 0.950 0.800 CA 1.864 41 residues pruned to eliminate duplicates Z: 65 72.269 2.421 0.951 0.708 0.922 0.734 CB 1.717 72 residues pruned to eliminate duplicates Z: 22 50.902 2.444 1.215 0.831 0.905 0.571 CB 1.703 22 residues pruned to eliminate duplicates Z: 12 12.140 2.035 0.139 0.818 0.909 0.727 CB 1.317 12 residues pruned to eliminate duplicates Z: 26 77.356 2.443 1.503 0.948 1.000 0.680 CB 1.748 26 residues pruned to eliminate duplicates Z: 16 7.447 1.863 0.500 0.252 0.733 0.400 CB 1.248 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 182 134.926 2.499 0.985 0.690 0.961 0.724 CB 1.767 140 residues pruned to eliminate duplicates Z: 6 7.561 1.718 0.841 0.742 1.000 0.600 CA 0.861 6 residues pruned to eliminate duplicates Z: 101 100.130 2.504 0.961 0.696 0.980 0.730 CB 1.740 101 residues pruned to eliminate duplicates Z: 82 84.562 2.475 1.019 0.651 0.975 0.642 CB 1.674 82 residues pruned to eliminate duplicates Z: 168 140.139 2.541 1.062 0.726 0.952 0.689 CB 1.773 168 residues pruned to eliminate duplicates Z: 102 101.772 2.508 1.044 0.693 0.960 0.723 CB 1.724 102 residues pruned to eliminate duplicates Z: 183 132.637 2.502 1.004 0.685 0.951 0.659 CB 1.742 183 residues pruned to eliminate duplicates Z: 188 136.142 2.483 1.058 0.690 0.952 0.658 CB 1.721 188 residues pruned to eliminate duplicates Z: 161 128.589 2.506 1.004 0.692 0.963 0.681 CB 1.764 159 residues pruned to eliminate duplicates Z: 22 47.410 2.497 0.903 0.837 0.952 0.619 CA 1.710 22 residues pruned to eliminate duplicates Z: 106 117.702 2.524 1.055 0.749 1.000 0.733 CB 1.773 106 residues pruned to eliminate duplicates Z: 125 100.970 2.432 0.928 0.677 0.952 0.726 CB 1.727 125 residues pruned to eliminate duplicates Z: 64 83.730 2.581 0.989 0.711 0.984 0.714 CB 1.725 64 residues pruned to eliminate duplicates Z: 181 135.652 2.504 1.010 0.685 0.972 0.672 CB 1.744 181 residues pruned to eliminate duplicates Z: 122 104.515 2.474 0.945 0.687 0.967 0.719 CB 1.721 122 residues pruned to eliminate duplicates Z: 186 136.443 2.495 1.075 0.687 0.946 0.665 CB 1.726 186 residues pruned to eliminate duplicates Z: 184 143.012 2.527 1.054 0.715 0.956 0.699 CB 1.753 184 residues pruned to eliminate duplicates Z: 186 133.041 2.500 1.062 0.695 0.930 0.676 CB 1.709 186 residues pruned to eliminate duplicates Z: 159 123.630 2.498 0.966 0.712 0.962 0.690 CB 1.718 159 residues pruned to eliminate duplicates Z: 122 108.040 2.467 1.031 0.683 0.950 0.678 CB 1.743 122 residues pruned to eliminate duplicates Z: 180 140.576 2.514 1.027 0.696 0.972 0.698 CB 1.773 180 residues pruned to eliminate duplicates Z: 181 145.284 2.514 1.133 0.690 0.967 0.694 CB 1.756 181 residues pruned to eliminate duplicates Z: 143 123.395 2.502 1.047 0.694 0.972 0.648 CB 1.742 143 residues pruned to eliminate duplicates Z: 81 84.846 2.497 1.018 0.658 0.963 0.700 CB 1.690 81 residues pruned to eliminate duplicates Z: 175 134.430 2.489 1.065 0.716 0.948 0.667 CB 1.719 175 residues pruned to eliminate duplicates Z: 74 66.443 2.436 0.883 0.597 0.932 0.630 CB 1.659 74 residues pruned to eliminate duplicates Z: 184 137.853 2.521 1.062 0.699 0.951 0.634 CB 1.720 184 residues pruned to eliminate duplicates Z: 133 124.507 2.526 1.134 0.734 0.932 0.758 CB 1.749 133 residues pruned to eliminate duplicates Z: 82 78.730 2.469 1.009 0.635 0.938 0.642 CB 1.656 82 residues pruned to eliminate duplicates Z: 174 142.691 2.527 1.140 0.712 0.954 0.607 CB 1.736 174 residues pruned to eliminate duplicates Z: 71 78.248 2.514 0.984 0.627 0.971 0.657 CB 1.713 71 residues pruned to eliminate duplicates Z: 132 126.894 2.524 1.116 0.742 0.969 0.702 CB 1.724 132 residues pruned to eliminate duplicates Z: 185 138.339 2.517 1.008 0.709 0.967 0.658 CB 1.725 185 residues pruned to eliminate duplicates Z: 121 108.808 2.491 1.022 0.698 0.950 0.742 CB 1.732 121 residues pruned to eliminate duplicates Z: 80 84.456 2.496 1.054 0.660 0.949 0.671 CB 1.683 80 residues pruned to eliminate duplicates Z: 187 138.069 2.494 1.087 0.695 0.957 0.667 CB 1.701 187 residues pruned to eliminate duplicates Z: 70 95.350 2.586 1.146 0.734 0.971 0.696 CB 1.727 70 residues pruned to eliminate duplicates Z: 183 134.397 2.472 1.074 0.690 0.940 0.632 CB 1.738 164 residues pruned to eliminate duplicates Z: 27 48.435 2.477 0.684 0.953 0.962 0.808 CB 1.630 27 residues pruned to eliminate duplicates Z: 83 110.029 2.539 1.264 0.759 0.976 0.768 CB 1.721 83 residues pruned to eliminate duplicates Z: 142 124.354 2.508 1.090 0.702 0.957 0.681 CB 1.737 142 residues pruned to eliminate duplicates Z: 141 126.786 2.496 1.206 0.705 0.943 0.664 CB 1.713 141 residues pruned to eliminate duplicates Z: 182 136.149 2.500 1.102 0.670 0.950 0.597 CB 1.731 182 residues pruned to eliminate duplicates Z: 103 105.570 2.499 1.145 0.695 0.961 0.735 CB 1.699 103 residues pruned to eliminate duplicates Z: 79 91.554 2.516 1.240 0.658 0.962 0.654 CB 1.652 79 residues pruned to eliminate duplicates Z: 184 136.562 2.510 1.109 0.698 0.940 0.601 CB 1.694 184 residues pruned to eliminate duplicates Z: 144 126.975 2.495 1.160 0.693 0.979 0.601 CB 1.686 144 residues pruned to eliminate duplicates Z: 88 104.549 2.535 1.169 0.768 0.943 0.644 CB 1.706 88 residues pruned to eliminate duplicates Z: 182 128.163 2.484 1.043 0.683 0.945 0.635 CB 1.679 182 residues pruned to eliminate duplicates Z: 109 126.267 2.554 1.252 0.743 0.981 0.639 CB 1.731 109 residues pruned to eliminate duplicates Z: 119 116.859 2.483 1.213 0.702 0.958 0.585 CB 1.701 119 residues pruned to eliminate duplicates Z: 146 130.974 2.503 1.245 0.693 0.959 0.586 CB 1.692 146 residues pruned to eliminate duplicates Z: 173 144.182 2.515 1.214 0.692 0.959 0.570 CB 1.726 173 residues pruned to eliminate duplicates Z: 119 112.601 2.486 1.168 0.695 0.958 0.593 CB 1.680 119 residues pruned to eliminate duplicates Z: 142 131.253 2.496 1.246 0.708 0.957 0.631 CB 1.705 142 residues pruned to eliminate duplicates Z: 185 136.247 2.478 1.150 0.678 0.951 0.587 CB 1.683 185 residues pruned to eliminate duplicates Z: 48 66.495 2.352 1.111 0.708 0.936 0.723 CB 1.728 48 residues pruned to eliminate duplicates Z: 178 136.562 2.486 1.151 0.675 0.949 0.644 CB 1.721 179 residues pruned to eliminate duplicates Z: 31 72.316 2.524 1.402 0.943 0.967 0.433 CB 1.562 31 residues pruned to eliminate duplicates Z: 202 143.973 2.493 1.106 0.690 0.960 0.602 CB 1.693 248 residues pruned to eliminate duplicates Z: 181 150.931 2.527 1.149 0.699 0.983 0.661 CB 1.757 181 residues pruned to eliminate duplicates Z: 118 118.110 2.490 1.191 0.706 0.974 0.667 CB 1.702 118 residues pruned to eliminate duplicates Z: 130 133.438 2.550 1.221 0.742 0.969 0.698 CB 1.724 130 residues pruned to eliminate duplicates Z: 130 140.105 2.556 1.266 0.737 0.984 0.744 CB 1.748 130 residues pruned to eliminate duplicates Z: 102 106.277 2.502 1.209 0.694 0.960 0.624 CB 1.669 102 residues pruned to eliminate duplicates Z: 231 160.605 2.496 1.141 0.722 0.952 0.674 CB 1.704 231 residues pruned to eliminate duplicates Z: 104 106.145 2.505 1.191 0.680 0.971 0.583 CB 1.663 104 residues pruned to eliminate duplicates Z: 78 104.733 2.488 1.283 0.789 0.948 0.623 CB 1.719 78 residues pruned to eliminate duplicates Z: 118 123.101 2.511 1.235 0.708 0.966 0.658 CB 1.737 118 residues pruned to eliminate duplicates Z: 171 141.637 2.538 1.194 0.728 0.929 0.559 CB 1.710 171 residues pruned to eliminate duplicates Z: 183 135.330 2.495 1.110 0.708 0.940 0.555 CB 1.678 183 residues pruned to eliminate duplicates Z: 119 113.532 2.476 1.136 0.715 0.966 0.619 CB 1.684 119 residues pruned to eliminate duplicates Z: 161 132.962 2.481 1.236 0.684 0.944 0.619 CB 1.696 161 residues pruned to eliminate duplicates Z: 118 118.499 2.507 1.201 0.714 0.957 0.590 CB 1.708 118 residues pruned to eliminate duplicates Z: 121 108.288 2.471 1.166 0.683 0.942 0.542 CB 1.658 121 residues pruned to eliminate duplicates Z: 118 115.021 2.497 1.172 0.701 0.966 0.556 CB 1.691 118 residues pruned to eliminate duplicates Z: 155 127.277 2.486 1.134 0.676 0.955 0.604 CB 1.722 155 residues pruned to eliminate duplicates Z: 161 129.003 2.459 1.167 0.683 0.963 0.562 CB 1.680 161 residues pruned to eliminate duplicates Z: 181 141.610 2.483 1.172 0.697 0.961 0.617 CB 1.701 181 residues pruned to eliminate duplicates Z: 160 125.121 2.489 1.125 0.702 0.931 0.547 CB 1.677 160 residues pruned to eliminate duplicates Z: 142 130.116 2.483 1.227 0.703 0.965 0.617 CB 1.708 142 residues pruned to eliminate duplicates Z: 142 134.221 2.499 1.311 0.706 0.957 0.574 CB 1.694 142 residues pruned to eliminate duplicates Z: 180 133.328 2.499 1.093 0.677 0.939 0.642 CB 1.725 180 residues pruned to eliminate duplicates Z: 67 100.958 2.506 1.304 0.785 0.985 0.485 CB 1.700 67 residues pruned to eliminate duplicates Z: 184 135.178 2.503 1.130 0.698 0.940 0.546 CB 1.664 184 residues pruned to eliminate duplicates Z: 143 127.948 2.495 1.217 0.710 0.958 0.676 CB 1.676 143 residues pruned to eliminate duplicates Z: 121 117.262 2.477 1.188 0.696 0.975 0.642 CB 1.694 121 residues pruned to eliminate duplicates Z: 182 146.605 2.482 1.186 0.707 0.961 0.646 CB 1.731 181 residues pruned to eliminate duplicates Z: 25 61.076 2.429 1.311 0.919 0.875 0.417 CB 1.789 25 residues pruned to eliminate duplicates Z: 186 138.482 2.497 1.148 0.697 0.941 0.611 CB 1.686 186 residues pruned to eliminate duplicates Z: 182 144.046 2.512 1.152 0.695 0.956 0.602 CB 1.735 182 residues pruned to eliminate duplicates Z: 73 76.009 2.500 0.955 0.650 0.931 0.597 CB 1.713 73 residues pruned to eliminate duplicates Z: 182 131.894 2.491 1.081 0.669 0.934 0.569 CB 1.733 182 residues pruned to eliminate duplicates Z: 141 131.826 2.516 1.185 0.708 0.971 0.557 CB 1.727 141 residues pruned to eliminate duplicates Z: 179 143.066 2.510 1.173 0.686 0.955 0.657 CB 1.736 179 residues pruned to eliminate duplicates Z: 142 128.822 2.510 1.166 0.704 0.965 0.638 CB 1.719 142 residues pruned to eliminate duplicates Z: 158 133.269 2.496 1.212 0.704 0.943 0.586 CB 1.697 158 residues pruned to eliminate duplicates Z: 145 130.718 2.507 1.206 0.696 0.958 0.597 CB 1.719 145 residues pruned to eliminate duplicates Z: 171 145.221 2.543 1.165 0.745 0.947 0.594 CB 1.716 171 residues pruned to eliminate duplicates Z: 184 143.411 2.513 1.169 0.709 0.951 0.546 CB 1.691 184 residues pruned to eliminate duplicates Z: 131 138.687 2.543 1.266 0.738 0.985 0.685 CB 1.731 131 residues pruned to eliminate duplicates Z: 185 143.489 2.507 1.181 0.703 0.946 0.592 CB 1.701 185 residues pruned to eliminate duplicates Z: 142 127.286 2.510 1.179 0.704 0.957 0.582 CB 1.700 142 residues pruned to eliminate duplicates Z: 181 147.910 2.508 1.141 0.709 0.978 0.606 CB 1.737 181 residues pruned to eliminate duplicates Z: 147 137.107 2.542 1.248 0.734 0.938 0.623 CB 1.714 147 residues pruned to eliminate duplicates Z: 178 141.725 2.505 1.158 0.687 0.966 0.616 CB 1.719 178 residues pruned to eliminate duplicates Z: 182 146.580 2.510 1.179 0.699 0.961 0.674 CB 1.728 182 residues pruned to eliminate duplicates Z: 182 140.093 2.514 1.121 0.699 0.956 0.641 CB 1.705 182 residues pruned to eliminate duplicates Z: 180 142.967 2.518 1.186 0.698 0.944 0.654 CB 1.717 180 residues pruned to eliminate duplicates Z: 132 137.944 2.533 1.333 0.739 0.977 0.618 CB 1.684 132 residues pruned to eliminate duplicates Z: 135 132.842 2.518 1.244 0.734 0.978 0.575 CB 1.685 135 residues pruned to eliminate duplicates Z: 142 138.137 2.510 1.323 0.702 0.972 0.539 CB 1.708 142 residues pruned to eliminate duplicates Z: 118 107.284 2.484 1.086 0.687 0.949 0.624 CB 1.699 118 residues pruned to eliminate duplicates Z: 171 143.748 2.534 1.236 0.713 0.941 0.547 CB 1.704 171 residues pruned to eliminate duplicates Z: 181 140.197 2.503 1.207 0.682 0.950 0.528 CB 1.686 181 residues pruned to eliminate duplicates Z: 183 137.213 2.507 1.115 0.702 0.940 0.516 CB 1.698 183 residues pruned to eliminate duplicates Z: 218 153.265 2.511 1.160 0.722 0.931 0.599 CB 1.686 218 residues pruned to eliminate duplicates Z: 180 138.000 2.497 1.160 0.665 0.955 0.642 CB 1.719 180 residues pruned to eliminate duplicates Z: 181 136.319 2.502 1.146 0.684 0.956 0.550 CB 1.673 181 residues pruned to eliminate duplicates Z: 45 60.210 2.490 1.020 0.668 0.909 0.614 CB 1.699 45 residues pruned to eliminate duplicates Z: 45 48.694 2.460 0.862 0.641 0.864 0.523 CB 1.626 45 residues pruned to eliminate duplicates Z: 179 129.976 2.495 1.087 0.666 0.949 0.573 CB 1.689 179 residues pruned to eliminate duplicates Z: 184 147.526 2.514 1.220 0.704 0.951 0.579 CB 1.707 184 residues pruned to eliminate duplicates Z: 184 145.841 2.517 1.171 0.706 0.945 0.617 CB 1.730 184 residues pruned to eliminate duplicates Z: 172 153.453 2.541 1.196 0.735 0.988 0.596 CB 1.722 172 residues pruned to eliminate duplicates Z: 44 57.020 2.519 0.921 0.672 0.884 0.581 CB 1.735 44 residues pruned to eliminate duplicates Z: 172 151.175 2.540 1.246 0.717 0.965 0.585 CB 1.726 172 residues pruned to eliminate duplicates Z: 230 167.142 2.511 1.143 0.712 0.978 0.664 CB 1.731 230 residues pruned to eliminate duplicates Z: 171 143.412 2.524 1.179 0.719 0.959 0.653 CB 1.711 171 residues pruned to eliminate duplicates Z: 90 100.564 2.497 1.101 0.715 0.944 0.742 CB 1.773 90 residues pruned to eliminate duplicates Z: 182 142.049 2.500 1.195 0.684 0.950 0.608 CB 1.710 182 residues pruned to eliminate duplicates Z: 186 141.459 2.498 1.151 0.694 0.946 0.589 CB 1.714 186 residues pruned to eliminate duplicates Z: 184 152.587 2.529 1.197 0.704 0.973 0.639 CB 1.734 184 residues pruned to eliminate duplicates Z: 47 64.994 2.482 1.024 0.683 0.957 0.609 CB 1.686 47 residues pruned to eliminate duplicates Z: 46 59.864 2.466 0.937 0.639 0.933 0.644 CB 1.758 46 residues pruned to eliminate duplicates Z: 69 79.970 2.521 0.997 0.663 0.971 0.618 CB 1.707 69 residues pruned to eliminate duplicates Z: 218 166.095 2.532 1.174 0.725 0.963 0.664 CB 1.737 218 residues pruned to eliminate duplicates Z: 45 65.439 2.512 1.026 0.666 0.955 0.636 CB 1.742 45 residues pruned to eliminate duplicates Z: 108 115.195 2.521 1.191 0.722 0.935 0.607 CB 1.766 108 residues pruned to eliminate duplicates Z: 184 138.505 2.489 1.140 0.680 0.962 0.590 CB 1.695 184 residues pruned to eliminate duplicates Z: 49 55.496 2.414 0.995 0.637 0.896 0.562 CB 1.634 49 residues pruned to eliminate duplicates Z: 182 144.420 2.511 1.183 0.699 0.956 0.641 CB 1.709 182 residues pruned to eliminate duplicates Z: 184 147.590 2.524 1.142 0.702 0.967 0.639 CB 1.736 184 residues pruned to eliminate duplicates Z: 230 169.476 2.518 1.193 0.712 0.969 0.629 CB 1.726 230 residues pruned to eliminate duplicates Z: 46 62.872 2.513 0.901 0.685 0.978 0.689 CB 1.693 46 residues pruned to eliminate duplicates Z: 46 60.202 2.482 1.049 0.658 0.911 0.578 CB 1.672 46 residues pruned to eliminate duplicates Z: 20 30.193 2.459 1.041 0.539 0.842 0.632 CB 1.578 20 residues pruned to eliminate duplicates Z: 231 162.642 2.505 1.130 0.706 0.970 0.635 CB 1.719 231 residues pruned to eliminate duplicates Z: 231 159.642 2.512 1.100 0.709 0.965 0.674 CB 1.711 231 residues pruned to eliminate duplicates Z: 64 75.657 2.521 1.044 0.591 0.937 0.556 CB 1.810 64 residues pruned to eliminate duplicates Z: 179 140.135 2.508 1.158 0.684 0.955 0.640 CB 1.716 179 residues pruned to eliminate duplicates Z: 182 144.014 2.519 1.126 0.688 0.972 0.646 CB 1.730 182 residues pruned to eliminate duplicates Z: 179 147.772 2.506 1.177 0.690 0.983 0.573 CB 1.737 179 residues pruned to eliminate duplicates Z: 14 14.273 2.058 0.396 0.424 1.000 0.538 CB 1.491 14 residues pruned to eliminate duplicates Z: 184 143.105 2.514 1.123 0.701 0.956 0.585 CB 1.726 184 residues pruned to eliminate duplicates Z: 179 125.072 2.471 0.984 0.666 0.955 0.730 CB 1.717 179 residues pruned to eliminate duplicates Z: 232 151.539 2.493 1.019 0.715 0.952 0.680 CB 1.711 232 residues pruned to eliminate duplicates Z: 140 111.693 2.510 0.964 0.681 0.942 0.683 CB 1.727 140 residues pruned to eliminate duplicates Z: 82 77.073 2.512 0.866 0.678 0.938 0.728 CB 1.654 82 residues pruned to eliminate duplicates Z: 13 14.084 2.102 0.477 0.383 1.000 0.667 CB 1.483 13 residues pruned to eliminate duplicates Z: 180 129.657 2.505 0.998 0.686 0.939 0.721 CB 1.739 180 residues pruned to eliminate duplicates Z: 55 59.140 2.380 0.921 0.600 0.926 0.593 CB 1.729 55 residues pruned to eliminate duplicates Z: 13 13.740 2.097 0.529 0.384 0.917 0.500 CB 1.528 13 residues pruned to eliminate duplicates Z: 13 14.023 2.030 0.547 0.373 0.917 0.417 CB 1.612 13 residues pruned to eliminate duplicates Z: 179 135.981 2.494 1.148 0.678 0.944 0.607 CB 1.711 179 residues pruned to eliminate duplicates Z: 182 140.635 2.517 1.038 0.686 0.967 0.691 CB 1.778 182 residues pruned to eliminate duplicates Z: 118 107.880 2.496 0.943 0.711 0.966 0.769 CB 1.758 118 residues pruned to eliminate duplicates Z: 187 129.158 2.498 0.989 0.693 0.935 0.651 CB 1.709 187 residues pruned to eliminate duplicates Z: 158 129.647 2.506 1.029 0.713 0.962 0.720 CB 1.744 158 residues pruned to eliminate duplicates Z: 162 123.552 2.480 1.001 0.685 0.957 0.696 CB 1.732 162 residues pruned to eliminate duplicates Z: 129 125.189 2.548 1.075 0.745 0.961 0.688 CB 1.749 129 residues pruned to eliminate duplicates Z: 131 128.009 2.548 1.095 0.736 0.977 0.762 CB 1.741 131 residues pruned to eliminate duplicates Z: 58 77.391 2.572 1.056 0.701 0.930 0.772 CB 1.737 58 residues pruned to eliminate duplicates Z: 148 121.095 2.479 1.070 0.680 0.952 0.646 CB 1.733 148 residues pruned to eliminate duplicates Z: 172 135.719 2.538 1.013 0.715 0.953 0.702 CB 1.753 172 residues pruned to eliminate duplicates Z: 218 162.160 2.524 1.163 0.713 0.968 0.618 CB 1.717 218 residues pruned to eliminate duplicates Z: 48 70.032 2.471 1.049 0.748 0.957 0.702 CB 1.689 Z: 20 26.630 2.256 0.648 0.793 0.895 0.579 CB 1.420 23 residues pruned to eliminate duplicates Z: 8 11.746 2.421 0.176 0.744 0.857 0.714 CB 1.463 8 residues pruned to eliminate duplicates Z: 47 75.194 2.468 1.039 0.774 0.978 0.826 CB 1.769 47 residues pruned to eliminate duplicates Z: 228 161.434 2.500 1.153 0.705 0.965 0.612 CB 1.712 273 residues pruned to eliminate duplicates Z: 231 165.871 2.504 1.163 0.710 0.965 0.639 CB 1.729 110 residues pruned to eliminate duplicates Z: 18 37.295 2.343 0.872 0.874 1.000 0.882 CB 1.501 Z: 19 35.073 2.261 0.781 0.897 1.000 0.944 CB 1.469 19 residues pruned to eliminate duplicates Z: 19 33.325 2.335 0.820 0.808 0.944 0.778 CB 1.496 19 residues pruned to eliminate duplicates Z: 48 70.545 2.461 1.000 0.758 0.957 0.681 CB 1.736 22 residues pruned to eliminate duplicates Z: 20 31.712 2.293 0.791 0.801 0.895 0.737 CB 1.522 20 residues pruned to eliminate duplicates Z: 216 160.825 2.524 1.151 0.714 0.967 0.651 CB 1.721 260 residues pruned to eliminate duplicates Z: 118 112.925 2.500 1.086 0.690 0.957 0.650 CB 1.758 118 residues pruned to eliminate duplicates Z: 227 161.597 2.508 1.156 0.696 0.965 0.606 CB 1.723 228 residues pruned to eliminate duplicates Z: 18 43.268 2.384 1.054 0.886 1.000 0.765 CB 1.547 Z: 18 37.951 2.384 0.971 0.862 0.941 0.824 CB 1.529 18 residues pruned to eliminate duplicates Z: 21 36.504 2.237 1.047 0.797 0.900 0.800 CB 1.528 20 residues pruned to eliminate duplicates Z: 18 41.600 2.407 0.956 0.873 1.000 0.824 CB 1.561 19 residues pruned to eliminate duplicates Z: 22 32.446 2.177 0.977 0.764 0.952 0.619 CB 1.367 22 residues pruned to eliminate duplicates Z: 231 164.154 2.495 1.159 0.707 0.970 0.630 CB 1.718 249 residues pruned to eliminate duplicates Z: 47 81.772 2.502 1.210 0.781 0.957 0.696 CB 1.779 Z: 26 68.846 2.443 1.213 0.906 0.960 0.800 CA 1.886 27 residues pruned to eliminate duplicates Z: 25 62.157 2.520 1.003 0.886 0.958 0.750 CB 1.893 25 residues pruned to eliminate duplicates Z: 47 81.839 2.475 1.270 0.778 0.957 0.630 CB 1.757 46 residues pruned to eliminate duplicates Z: 26 66.091 2.485 1.107 0.930 0.960 0.640 CA 1.839 26 residues pruned to eliminate duplicates Z: 227 167.014 2.513 1.229 0.712 0.951 0.588 CB 1.720 274 residues pruned to eliminate duplicates Z: 91 101.376 2.492 1.121 0.716 0.956 0.633 CB 1.739 91 residues pruned to eliminate duplicates Z: 91 104.361 2.504 1.089 0.725 0.978 0.600 CB 1.756 91 residues pruned to eliminate duplicates Z: 215 170.234 2.531 1.229 0.725 0.958 0.593 CB 1.758 215 residues pruned to eliminate duplicates Z: 218 172.773 2.535 1.186 0.740 0.977 0.627 CB 1.746 218 residues pruned to eliminate duplicates Z: 47 83.671 2.487 1.247 0.778 0.978 0.565 CB 1.767 Z: 24 50.227 2.433 1.205 0.878 0.870 0.435 CB 1.629 27 residues pruned to eliminate duplicates Z: 26 58.526 2.471 1.317 0.899 0.840 0.560 CB 1.740 26 residues pruned to eliminate duplicates Z: 91 103.288 2.498 1.132 0.727 0.967 0.622 CB 1.724 135 residues pruned to eliminate duplicates Z: 47 85.709 2.482 1.343 0.773 0.978 0.652 CB 1.744 Z: 18 61.784 2.559 1.500 0.847 0.882 0.588 CB 1.972 18 residues pruned to eliminate duplicates Z: 230 178.747 2.523 1.251 0.722 0.974 0.686 CB 1.747 277 residues pruned to eliminate duplicates Z: 26 73.535 2.511 1.234 0.928 0.960 0.520 CB 1.912 Z: 26 81.739 2.517 1.423 0.911 1.000 0.520 CA 1.899 26 residues pruned to eliminate duplicates Z: 26 79.270 2.532 1.482 0.892 0.960 0.640 CB 1.888 26 residues pruned to eliminate duplicates Z: 25 73.489 2.524 1.443 0.911 0.917 0.500 CB 1.881 25 residues pruned to eliminate duplicates Z: 231 172.409 2.512 1.221 0.714 0.974 0.630 CB 1.723 257 residues pruned to eliminate duplicates Z: 93 103.162 2.478 1.263 0.710 0.924 0.576 CB 1.715 93 residues pruned to eliminate duplicates Z: 185 152.064 2.550 1.224 0.699 0.951 0.549 CB 1.734 185 residues pruned to eliminate duplicates Z: 182 151.794 2.559 1.177 0.697 0.961 0.575 CB 1.760 182 residues pruned to eliminate duplicates Z: 183 151.391 2.550 1.223 0.693 0.945 0.577 CB 1.757 183 residues pruned to eliminate duplicates Z: 182 150.744 2.551 1.159 0.701 0.956 0.536 CB 1.773 182 residues pruned to eliminate duplicates Z: 141 135.853 2.558 1.229 0.703 0.971 0.607 CB 1.723 141 residues pruned to eliminate duplicates Z: 182 151.393 2.568 1.153 0.702 0.961 0.635 CB 1.762 182 residues pruned to eliminate duplicates Z: 181 151.993 2.561 1.213 0.684 0.956 0.544 CB 1.766 181 residues pruned to eliminate duplicates Z: 182 150.838 2.559 1.160 0.692 0.961 0.564 CB 1.770 182 residues pruned to eliminate duplicates Z: 179 151.902 2.573 1.176 0.691 0.955 0.629 CB 1.788 179 residues pruned to eliminate duplicates Z: 182 151.467 2.563 1.139 0.688 0.972 0.552 CB 1.778 182 residues pruned to eliminate duplicates Z: 92 123.212 2.573 1.339 0.787 0.978 0.473 CB 1.705 92 residues pruned to eliminate duplicates Z: 23 47.941 2.514 1.048 0.768 0.955 0.636 CB 1.640 23 residues pruned to eliminate duplicates Z: 180 148.859 2.547 1.183 0.679 0.966 0.598 CB 1.756 180 residues pruned to eliminate duplicates Z: 182 147.163 2.538 1.126 0.701 0.961 0.552 CB 1.755 182 residues pruned to eliminate duplicates Z: 184 147.433 2.560 1.160 0.704 0.940 0.503 CB 1.742 184 residues pruned to eliminate duplicates Z: 154 136.904 2.554 1.193 0.692 0.967 0.569 CB 1.714 154 residues pruned to eliminate duplicates Z: 183 147.062 2.548 1.132 0.695 0.956 0.599 CB 1.757 183 residues pruned to eliminate duplicates Z: 229 164.590 2.551 1.114 0.717 0.952 0.588 CB 1.745 229 residues pruned to eliminate duplicates Z: 181 147.145 2.545 1.209 0.684 0.950 0.600 CB 1.734 181 residues pruned to eliminate duplicates Z: 232 167.103 2.516 1.143 0.709 0.970 0.580 CB 1.740 209 residues pruned to eliminate duplicates Z: 17 51.467 2.612 1.044 0.917 0.938 0.750 CB 1.814 17 residues pruned to eliminate duplicates Z: 178 149.675 2.568 1.129 0.701 0.972 0.610 CB 1.763 178 residues pruned to eliminate duplicates Z: 229 162.970 2.542 1.142 0.716 0.939 0.553 CB 1.738 237 residues pruned to eliminate duplicates Z: 184 139.004 2.515 1.173 0.673 0.940 0.519 CB 1.705 184 residues pruned to eliminate duplicates Z: 48 61.645 2.515 1.033 0.637 0.872 0.511 CB 1.774 48 residues pruned to eliminate duplicates Z: 47 56.609 2.504 0.893 0.651 0.870 0.543 CB 1.759 47 residues pruned to eliminate duplicates Z: 18 30.640 2.427 0.546 0.707 0.824 0.294 CB 1.992 18 residues pruned to eliminate duplicates Z: 146 137.771 2.544 1.187 0.720 0.966 0.517 CB 1.745 146 residues pruned to eliminate duplicates Z: 182 148.470 2.553 1.225 0.680 0.956 0.552 CB 1.723 182 residues pruned to eliminate duplicates Z: 184 154.198 2.567 1.202 0.693 0.962 0.568 CB 1.757 184 residues pruned to eliminate duplicates Z: 155 142.510 2.540 1.205 0.705 0.968 0.571 CB 1.758 155 residues pruned to eliminate duplicates Z: 185 148.506 2.556 1.187 0.686 0.946 0.549 CB 1.746 185 residues pruned to eliminate duplicates Z: 35 67.928 2.628 1.047 0.701 0.971 0.588 CB 1.858 35 residues pruned to eliminate duplicates Z: 63 84.451 2.577 1.003 0.693 0.952 0.597 CB 1.831 63 residues pruned to eliminate duplicates Z: 35 69.612 2.577 1.027 0.722 0.971 0.559 CB 1.926 35 residues pruned to eliminate duplicates Z: 185 150.615 2.557 1.170 0.686 0.962 0.533 CB 1.753 185 residues pruned to eliminate duplicates Z: 70 78.543 2.552 0.981 0.636 0.928 0.565 CB 1.774 70 residues pruned to eliminate duplicates Z: 184 156.004 2.571 1.197 0.694 0.978 0.601 CB 1.748 184 residues pruned to eliminate duplicates Z: 36 63.516 2.585 0.938 0.679 0.943 0.543 CB 1.928 36 residues pruned to eliminate duplicates Z: 183 152.689 2.566 1.189 0.691 0.956 0.560 CB 1.770 183 residues pruned to eliminate duplicates Z: 45 68.940 2.519 1.057 0.659 0.932 0.614 CB 1.858 45 residues pruned to eliminate duplicates Z: 49 62.346 2.438 0.953 0.625 0.938 0.479 CB 1.792 49 residues pruned to eliminate duplicates Z: 45 71.006 2.574 0.931 0.664 0.977 0.705 CB 1.894 45 residues pruned to eliminate duplicates Z: 231 176.301 2.545 1.228 0.714 0.957 0.661 CB 1.765 232 residues pruned to eliminate duplicates Z: 27 55.101 2.360 1.098 0.853 0.885 0.654 CA 1.824 27 residues pruned to eliminate duplicates Z: 45 65.010 2.542 0.971 0.656 0.932 0.614 CB 1.816 45 residues pruned to eliminate duplicates Z: 184 153.031 2.571 1.143 0.693 0.973 0.607 CB 1.769 184 residues pruned to eliminate duplicates Z: 45 63.396 2.506 0.821 0.650 0.932 0.568 CB 1.955 45 residues pruned to eliminate duplicates Z: 233 168.849 2.533 1.155 0.709 0.957 0.672 CB 1.756 233 residues pruned to eliminate duplicates Z: 45 69.118 2.519 0.978 0.661 0.977 0.568 CB 1.843 45 residues pruned to eliminate duplicates Z: 36 59.465 2.543 0.814 0.691 1.000 0.657 CB 1.829 36 residues pruned to eliminate duplicates Z: 27 43.138 2.430 1.109 0.476 0.923 0.500 CB 1.832 27 residues pruned to eliminate duplicates Z: 182 154.295 2.568 1.222 0.688 0.978 0.558 CB 1.731 182 residues pruned to eliminate duplicates Z: 185 151.111 2.552 1.154 0.699 0.962 0.620 CB 1.757 185 residues pruned to eliminate duplicates Z: 24 32.831 2.393 1.215 0.468 0.783 0.522 CB 1.704 24 residues pruned to eliminate duplicates Z: 44 67.211 2.546 1.030 0.657 0.907 0.581 CB 1.890 44 residues pruned to eliminate duplicates Z: 23 33.367 2.383 1.108 0.548 0.818 0.545 CB 1.651 23 residues pruned to eliminate duplicates Z: 185 155.847 2.563 1.202 0.692 0.967 0.554 CB 1.765 185 residues pruned to eliminate duplicates Z: 183 159.972 2.581 1.192 0.702 0.973 0.615 CB 1.793 183 residues pruned to eliminate duplicates Z: 22 31.892 2.479 0.858 0.487 0.857 0.429 CB 1.786 22 residues pruned to eliminate duplicates Z: 37 63.540 2.542 0.961 0.660 0.972 0.694 CB 1.883 37 residues pruned to eliminate duplicates Z: 182 158.438 2.590 1.221 0.703 0.961 0.624 CB 1.771 182 residues pruned to eliminate duplicates Z: 184 148.644 2.556 1.178 0.687 0.951 0.590 CB 1.749 184 residues pruned to eliminate duplicates Z: 182 144.579 2.545 1.073 0.691 0.961 0.635 CB 1.778 182 residues pruned to eliminate duplicates Z: 184 129.767 2.540 0.975 0.693 0.918 0.672 CB 1.745 184 residues pruned to eliminate duplicates Z: 182 148.705 2.567 1.105 0.688 0.967 0.635 CB 1.781 182 residues pruned to eliminate duplicates Z: 73 76.414 2.496 0.957 0.622 0.972 0.597 CB 1.690 73 residues pruned to eliminate duplicates Z: 229 156.209 2.543 0.998 0.719 0.952 0.658 CB 1.756 229 residues pruned to eliminate duplicates Z: 7 9.020 1.981 1.013 0.316 0.833 0.167 CA 1.358 Z: 6 12.466 2.255 0.837 0.341 1.000 0.800 CA 1.600 7 residues pruned to eliminate duplicates Z: 9 10.971 1.994 0.433 0.419 1.000 0.625 CA 1.477 4 residues pruned to eliminate duplicates Z: 10 10.240 1.796 0.638 0.482 0.889 0.444 CA 1.329 9 residues pruned to eliminate duplicates Z: 6 11.824 1.915 0.729 0.624 1.000 0.400 CB 1.421 6 residues pruned to eliminate duplicates Z: 183 134.711 2.530 1.026 0.671 0.951 0.632 CB 1.751 195 residues pruned to eliminate duplicates Z: 144 122.345 2.563 0.988 0.695 0.965 0.699 CB 1.741 144 residues pruned to eliminate duplicates Z: 69 79.410 2.577 0.984 0.603 0.956 0.574 CB 1.787 69 residues pruned to eliminate duplicates Z: 183 137.967 2.552 1.010 0.687 0.951 0.637 CB 1.768 88 residues pruned to eliminate duplicates Z: 9 6.970 1.950 0.541 0.419 0.750 0.375 CB 1.190 9 residues pruned to eliminate duplicates Z: 148 129.096 2.557 1.065 0.687 0.973 0.680 CB 1.747 148 residues pruned to eliminate duplicates Z: 122 107.674 2.545 0.986 0.639 0.950 0.579 CB 1.788 122 residues pruned to eliminate duplicates Z: 70 75.611 2.532 1.011 0.590 0.942 0.652 CB 1.741 70 residues pruned to eliminate duplicates Z: 184 137.789 2.552 1.063 0.699 0.923 0.661 CB 1.747 143 residues pruned to eliminate duplicates Z: 9 13.084 2.271 0.465 0.463 1.000 0.625 CA 1.444 9 residues pruned to eliminate duplicates Z: 119 107.568 2.546 0.970 0.645 0.958 0.627 CB 1.801 119 residues pruned to eliminate duplicates Z: 114 101.526 2.523 0.929 0.628 0.965 0.664 CB 1.804 45 residues pruned to eliminate duplicates Z: 6 6.020 1.982 0.404 0.315 1.000 0.600 CA 1.188 Z: 8 8.240 1.861 0.708 0.561 0.857 0.714 CA 1.077 5 residues pruned to eliminate duplicates Z: 6 8.024 1.989 0.519 0.396 1.000 0.600 CA 1.325 7 residues pruned to eliminate duplicates Z: 25 60.739 2.480 1.257 0.778 1.000 0.708 CB 1.733 33 residues pruned to eliminate duplicates Z: 182 143.814 2.554 1.060 0.692 0.967 0.652 CB 1.764 182 residues pruned to eliminate duplicates Z: 76 89.908 2.573 1.061 0.659 0.987 0.640 CB 1.712 70 residues pruned to eliminate duplicates Z: 21 63.855 2.576 1.371 0.855 0.950 0.700 CA 1.816 21 residues pruned to eliminate duplicates Z: 120 116.541 2.535 1.053 0.705 0.966 0.739 CB 1.763 120 residues pruned to eliminate duplicates Z: 182 137.908 2.535 1.002 0.686 0.961 0.641 CB 1.772 182 residues pruned to eliminate duplicates Z: 170 137.413 2.544 1.096 0.694 0.941 0.698 CB 1.765 65 residues pruned to eliminate duplicates Z: 22 70.546 2.547 1.412 0.880 1.000 0.762 CB 1.816 22 residues pruned to eliminate duplicates Z: 182 130.427 2.537 0.941 0.671 0.950 0.630 CB 1.768 182 residues pruned to eliminate duplicates Z: 180 137.625 2.552 1.016 0.683 0.950 0.682 CB 1.780 180 residues pruned to eliminate duplicates Z: 172 133.221 2.559 0.995 0.724 0.930 0.643 CB 1.753 172 residues pruned to eliminate duplicates Z: 117 120.186 2.567 1.077 0.717 0.966 0.733 CB 1.782 117 residues pruned to eliminate duplicates Z: 181 142.078 2.564 1.027 0.693 0.956 0.633 CB 1.786 187 residues pruned to eliminate duplicates Z: 22 59.535 2.522 1.181 0.851 0.952 0.619 CA 1.836 22 residues pruned to eliminate duplicates Z: 139 133.503 2.578 1.050 0.702 0.986 0.688 CB 1.816 139 residues pruned to eliminate duplicates Z: 71 75.902 2.519 1.005 0.610 0.943 0.614 CB 1.716 71 residues pruned to eliminate duplicates Z: 145 123.985 2.549 1.040 0.695 0.965 0.701 CB 1.722 145 residues pruned to eliminate duplicates Z: 146 129.469 2.560 1.055 0.689 0.966 0.717 CB 1.780 146 residues pruned to eliminate duplicates Z: 69 85.975 2.555 1.111 0.617 0.971 0.632 CB 1.783 69 residues pruned to eliminate duplicates Z: 140 120.751 2.551 1.047 0.628 0.978 0.604 CB 1.777 140 residues pruned to eliminate duplicates Z: 144 125.245 2.552 1.068 0.697 0.958 0.706 CB 1.731 144 residues pruned to eliminate duplicates Z: 57 87.031 2.601 1.119 0.681 0.982 0.643 CB 1.820 57 residues pruned to eliminate duplicates Z: 103 94.379 2.513 1.009 0.582 0.922 0.529 CB 1.857 103 residues pruned to eliminate duplicates Z: 180 137.345 2.538 0.996 0.675 0.955 0.670 CB 1.805 180 residues pruned to eliminate duplicates Z: 182 144.022 2.543 1.099 0.695 0.945 0.657 CB 1.776 182 residues pruned to eliminate duplicates Z: 70 80.051 2.531 1.008 0.612 0.971 0.594 CB 1.757 70 residues pruned to eliminate duplicates Z: 183 142.963 2.545 1.007 0.701 0.978 0.698 CB 1.766 183 residues pruned to eliminate duplicates Z: 186 136.282 2.527 1.036 0.695 0.946 0.659 CB 1.723 186 residues pruned to eliminate duplicates Z: 116 108.590 2.536 1.004 0.651 0.974 0.583 CB 1.777 116 residues pruned to eliminate duplicates Z: 117 116.414 2.567 1.022 0.704 0.983 0.707 CB 1.760 117 residues pruned to eliminate duplicates Z: 136 125.119 2.557 1.099 0.710 0.941 0.674 CB 1.763 136 residues pruned to eliminate duplicates Z: 182 132.950 2.556 1.026 0.690 0.912 0.646 CB 1.759 182 residues pruned to eliminate duplicates Z: 182 143.689 2.545 1.023 0.701 0.972 0.751 CB 1.776 182 residues pruned to eliminate duplicates Z: 183 135.289 2.515 1.078 0.683 0.929 0.648 CB 1.747 183 residues pruned to eliminate duplicates Z: 182 140.827 2.537 1.051 0.700 0.961 0.663 CB 1.743 182 residues pruned to eliminate duplicates Z: 180 137.647 2.558 1.036 0.689 0.933 0.642 CB 1.781 180 residues pruned to eliminate duplicates Z: 128 125.978 2.589 1.086 0.738 0.961 0.724 CB 1.740 128 residues pruned to eliminate duplicates Z: 182 138.499 2.550 1.014 0.690 0.956 0.635 CB 1.762 182 residues pruned to eliminate duplicates Z: 153 133.392 2.555 1.101 0.709 0.947 0.651 CB 1.760 153 residues pruned to eliminate duplicates Z: 49 78.893 2.512 1.049 0.818 0.979 0.750 CB 1.714 49 residues pruned to eliminate duplicates Z: 184 147.033 2.537 1.089 0.685 0.973 0.612 CB 1.779 184 residues pruned to eliminate duplicates Z: 165 127.336 2.527 1.032 0.671 0.939 0.616 CB 1.761 165 residues pruned to eliminate duplicates Z: 89 112.430 2.563 1.196 0.768 0.955 0.750 CB 1.759 89 residues pruned to eliminate duplicates Z: 165 129.687 2.523 1.123 0.649 0.951 0.598 CB 1.730 165 residues pruned to eliminate duplicates Z: 146 132.270 2.551 1.129 0.694 0.966 0.641 CB 1.754 146 residues pruned to eliminate duplicates Z: 182 142.634 2.536 1.098 0.673 0.956 0.597 CB 1.778 182 residues pruned to eliminate duplicates Z: 182 150.319 2.552 1.165 0.699 0.961 0.602 CB 1.756 182 residues pruned to eliminate duplicates Z: 182 150.155 2.559 1.141 0.694 0.972 0.613 CB 1.755 182 residues pruned to eliminate duplicates Z: 120 109.217 2.521 1.049 0.700 0.933 0.605 CB 1.732 120 residues pruned to eliminate duplicates Z: 142 132.171 2.545 1.234 0.695 0.950 0.574 CB 1.723 142 residues pruned to eliminate duplicates Z: 120 113.802 2.515 1.100 0.691 0.958 0.588 CB 1.731 120 residues pruned to eliminate duplicates Z: 182 149.516 2.546 1.149 0.698 0.967 0.602 CB 1.754 182 residues pruned to eliminate duplicates Z: 101 115.303 2.549 1.208 0.686 0.990 0.570 CB 1.746 101 residues pruned to eliminate duplicates Z: 230 165.318 2.545 1.150 0.721 0.948 0.594 CB 1.726 230 residues pruned to eliminate duplicates Z: 183 151.352 2.548 1.149 0.693 0.973 0.566 CB 1.766 183 residues pruned to eliminate duplicates Z: 133 122.308 2.560 1.093 0.729 0.939 0.644 CB 1.721 133 residues pruned to eliminate duplicates Z: 161 140.572 2.549 1.229 0.682 0.963 0.613 CB 1.719 161 residues pruned to eliminate duplicates Z: 143 130.809 2.540 1.214 0.698 0.944 0.592 CB 1.727 143 residues pruned to eliminate duplicates Z: 177 143.946 2.562 1.135 0.689 0.955 0.608 CB 1.748 177 residues pruned to eliminate duplicates Z: 185 146.261 2.556 1.103 0.692 0.962 0.614 CB 1.750 177 residues pruned to eliminate duplicates Z: 33 74.237 2.451 1.388 0.876 0.969 0.250 CB 1.682 33 residues pruned to eliminate duplicates Z: 176 132.279 2.519 1.084 0.665 0.937 0.611 CB 1.744 176 residues pruned to eliminate duplicates Z: 183 145.856 2.550 1.131 0.690 0.951 0.604 CB 1.759 183 residues pruned to eliminate duplicates Z: 183 143.296 2.535 1.091 0.688 0.951 0.621 CB 1.774 183 residues pruned to eliminate duplicates Z: 182 144.859 2.533 1.171 0.680 0.950 0.613 CB 1.746 182 residues pruned to eliminate duplicates Z: 165 133.094 2.530 1.107 0.676 0.939 0.591 CB 1.765 165 residues pruned to eliminate duplicates Z: 181 149.337 2.543 1.215 0.692 0.950 0.550 CB 1.744 181 residues pruned to eliminate duplicates Z: 145 125.670 2.521 1.218 0.691 0.944 0.597 CB 1.666 145 residues pruned to eliminate duplicates Z: 184 140.099 2.538 1.171 0.685 0.923 0.525 CB 1.718 184 residues pruned to eliminate duplicates Z: 182 144.158 2.553 1.136 0.685 0.934 0.580 CB 1.775 182 residues pruned to eliminate duplicates Z: 183 145.155 2.534 1.133 0.693 0.951 0.566 CB 1.756 183 residues pruned to eliminate duplicates Z: 151 139.805 2.560 1.171 0.702 0.967 0.580 CB 1.767 151 residues pruned to eliminate duplicates Z: 231 171.461 2.529 1.159 0.711 0.978 0.561 CB 1.748 231 residues pruned to eliminate duplicates Z: 185 143.962 2.545 1.180 0.695 0.935 0.565 CB 1.712 185 residues pruned to eliminate duplicates Z: 76 95.975 2.523 1.296 0.748 0.933 0.400 CB 1.642 76 residues pruned to eliminate duplicates Z: 183 149.563 2.552 1.211 0.708 0.945 0.549 CB 1.721 183 residues pruned to eliminate duplicates Z: 183 148.173 2.566 1.181 0.699 0.951 0.516 CB 1.722 183 residues pruned to eliminate duplicates Z: 217 165.083 2.551 1.124 0.726 0.963 0.546 CB 1.756 217 residues pruned to eliminate duplicates Z: 182 148.901 2.569 1.190 0.689 0.934 0.564 CB 1.772 182 residues pruned to eliminate duplicates Z: 82 109.843 2.569 1.354 0.789 0.926 0.481 CB 1.691 82 residues pruned to eliminate duplicates Z: 69 98.682 2.535 1.369 0.782 0.926 0.471 CB 1.677 69 residues pruned to eliminate duplicates Z: 142 138.578 2.551 1.323 0.710 0.950 0.582 CB 1.713 142 residues pruned to eliminate duplicates Z: 181 152.230 2.558 1.167 0.701 0.967 0.556 CB 1.763 181 residues pruned to eliminate duplicates Z: 183 152.359 2.545 1.246 0.677 0.967 0.511 CB 1.736 183 residues pruned to eliminate duplicates Z: 152 136.923 2.550 1.197 0.699 0.934 0.576 CB 1.776 152 residues pruned to eliminate duplicates Z: 230 169.019 2.546 1.197 0.711 0.948 0.616 CB 1.740 230 residues pruned to eliminate duplicates Z: 185 143.336 2.546 1.163 0.681 0.935 0.549 CB 1.738 185 residues pruned to eliminate duplicates Z: 231 163.930 2.531 1.160 0.723 0.939 0.565 CB 1.722 231 residues pruned to eliminate duplicates Z: 48 73.898 2.422 1.158 0.783 0.936 0.702 CB 1.717 Z: 21 32.762 2.310 0.944 0.762 0.900 0.700 CB 1.437 21 residues pruned to eliminate duplicates Z: 49 74.771 2.432 1.120 0.785 0.958 0.708 CB 1.700 48 residues pruned to eliminate duplicates Z: 19 36.835 2.258 0.980 0.762 1.000 0.722 CB 1.539 21 residues pruned to eliminate duplicates Z: 20 32.401 2.069 0.966 0.825 0.947 0.474 CB 1.455 20 residues pruned to eliminate duplicates Z: 47 81.046 2.475 1.144 0.791 0.957 0.783 CB 1.824 46 residues pruned to eliminate duplicates Z: 18 37.174 2.352 0.903 0.871 0.941 0.706 CB 1.562 18 residues pruned to eliminate duplicates Z: 163 144.395 2.551 1.149 0.743 0.932 0.630 CB 1.786 211 residues pruned to eliminate duplicates Z: 217 175.433 2.556 1.175 0.736 0.981 0.657 CB 1.770 217 residues pruned to eliminate duplicates Z: 93 104.174 2.480 1.090 0.704 0.957 0.620 CB 1.818 93 residues pruned to eliminate duplicates Z: 48 69.734 2.435 1.070 0.764 0.936 0.681 CB 1.704 Z: 18 42.297 2.366 1.099 0.867 1.000 0.706 CB 1.512 22 residues pruned to eliminate duplicates Z: 18 42.238 2.348 1.073 0.855 1.000 0.647 CB 1.553 18 residues pruned to eliminate duplicates Z: 19 47.203 2.299 1.204 0.892 1.000 0.722 CB 1.578 18 residues pruned to eliminate duplicates Z: 19 44.770 2.299 1.193 0.864 0.944 0.444 CB 1.625 19 residues pruned to eliminate duplicates Z: 19 42.210 2.294 1.120 0.862 0.944 0.500 CB 1.590 19 residues pruned to eliminate duplicates Z: 91 97.150 2.491 1.021 0.706 0.933 0.611 CB 1.808 136 residues pruned to eliminate duplicates Z: 230 163.306 2.521 1.136 0.701 0.952 0.594 CB 1.754 230 residues pruned to eliminate duplicates Z: 230 172.810 2.547 1.133 0.710 0.983 0.620 CB 1.768 230 residues pruned to eliminate duplicates Z: 48 74.127 2.412 1.047 0.785 0.957 0.617 CB 1.779 Z: 44 89.007 2.465 1.199 0.860 1.000 0.814 CB 1.840 48 residues pruned to eliminate duplicates Z: 17 50.054 2.475 1.065 0.812 1.000 0.750 CA 1.867 17 residues pruned to eliminate duplicates Z: 47 77.991 2.448 1.145 0.805 0.957 0.761 CB 1.754 47 residues pruned to eliminate duplicates Z: 49 72.011 2.408 0.987 0.783 0.958 0.729 CB 1.767 49 residues pruned to eliminate duplicates Z: 48 77.417 2.393 1.098 0.779 0.979 0.830 CB 1.797 48 residues pruned to eliminate duplicates Z: 92 107.790 2.482 1.123 0.735 0.989 0.725 CB 1.756 136 residues pruned to eliminate duplicates Z: 29 76.802 2.468 1.355 0.809 1.000 0.929 CB 1.907 Z: 25 61.830 2.533 0.982 0.869 0.958 0.750 CA 1.917 25 residues pruned to eliminate duplicates Z: 120 117.585 2.488 1.119 0.702 0.966 0.639 CB 1.760 149 residues pruned to eliminate duplicates Z: 49 74.007 2.406 1.227 0.771 0.938 0.688 CB 1.672 Z: 26 77.485 2.538 1.290 0.897 0.960 0.560 CB 1.987 30 residues pruned to eliminate duplicates Z: 18 60.836 2.605 1.169 0.919 0.941 0.765 CA 1.955 18 residues pruned to eliminate duplicates Z: 228 169.284 2.536 1.164 0.708 0.969 0.577 CB 1.748 273 residues pruned to eliminate duplicates Z: 91 100.454 2.482 1.144 0.697 0.944 0.667 CB 1.761 91 residues pruned to eliminate duplicates Z: 46 88.599 2.485 1.334 0.804 1.000 0.533 CB 1.746 Z: 26 86.101 2.572 1.510 0.902 0.960 0.480 CA 1.982 26 residues pruned to eliminate duplicates Z: 82 105.422 2.522 1.229 0.719 0.963 0.556 CB 1.775 128 residues pruned to eliminate duplicates Z: 226 158.239 2.501 1.186 0.689 0.947 0.556 CB 1.714 226 residues pruned to eliminate duplicates Z: 50 78.434 2.393 1.327 0.774 0.980 0.592 CB 1.612 Z: 26 88.775 2.561 1.538 0.915 0.960 0.800 CA 2.012 30 residues pruned to eliminate duplicates Z: 26 90.925 2.560 1.567 0.950 0.960 0.520 CA 1.988 26 residues pruned to eliminate duplicates Z: 48 88.783 2.428 1.373 0.804 1.000 0.723 CB 1.723 48 residues pruned to eliminate duplicates Z: 27 74.627 2.435 1.408 0.916 0.962 0.462 CB 1.833 27 residues pruned to eliminate duplicates Z: 51 78.376 2.347 1.299 0.760 0.980 0.540 CB 1.663 51 residues pruned to eliminate duplicates Z: 49 82.561 2.425 1.275 0.788 0.979 0.542 CB 1.712 47 residues pruned to eliminate duplicates 403 residues left after pruning, divided into chains as follows: A: 179 B: 181 C: 43 CC for partial structure against native data = 41.05 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.793, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.922, Connect. = 0.790 for dens.mod. cycle 2 = 0.300, Contrast = 1.124, Connect. = 0.818 for dens.mod. cycle 3 = 0.300, Contrast = 1.170, Connect. = 0.821 for dens.mod. cycle 4 = 0.300, Contrast = 1.209, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 1.230, Connect. = 0.827 for dens.mod. cycle 6 = 0.300, Contrast = 1.248, Connect. = 0.829 for dens.mod. cycle 7 = 0.300, Contrast = 1.258, Connect. = 0.830 for dens.mod. cycle 8 = 0.300, Contrast = 1.266, Connect. = 0.831 for dens.mod. cycle 9 = 0.300, Contrast = 1.270, Connect. = 0.832 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3125 peaks > 0.5 sigma used to seed fragment search Space for about 1039 unique residues taking solvent into account 612 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 31.983 2.454 0.958 0.834 0.900 0.800 CB 1.754 B: 10 40.479 2.730 1.065 0.913 1.000 0.778 CB 1.694 C: 27 73.290 2.493 1.192 0.911 1.000 0.731 CA 1.865 D: 21 63.158 2.561 1.281 0.871 0.950 0.600 CA 1.856 E: 17 64.595 2.493 1.425 0.914 1.000 0.875 CB 1.889 F: 31 65.725 2.513 1.068 0.946 0.967 0.567 CB 1.652 G: 26 72.651 2.543 1.103 0.944 1.000 0.720 CA 1.882 27 residues pruned to eliminate duplicates H: 22 57.280 2.541 1.092 0.872 0.952 0.714 CB 1.800 I: 27 59.076 2.546 0.925 0.848 0.923 0.654 CA 1.900 J: 22 55.788 2.519 1.006 0.879 0.952 0.857 CA 1.835 22 residues pruned to eliminate duplicates K: 25 80.598 2.604 1.362 0.921 0.958 0.708 CB 1.965 26 residues pruned to eliminate duplicates L: 12 28.570 2.419 0.863 0.779 0.909 0.818 CA 1.644 M: 25 77.970 2.596 1.130 0.939 1.000 0.833 CA 1.999 25 residues pruned to eliminate duplicates N: 25 77.947 2.585 1.270 0.937 0.958 0.583 CB 1.969 25 residues pruned to eliminate duplicates O: 18 58.870 2.488 1.191 0.926 1.000 0.941 CB 1.837 18 residues pruned to eliminate duplicates P: 22 57.793 2.468 1.150 0.845 1.000 0.762 CA 1.768 21 residues pruned to eliminate duplicates Q: 17 58.492 2.513 1.130 0.921 1.000 0.938 CB 1.924 17 residues pruned to eliminate duplicates R: 19 55.022 2.537 1.002 0.947 1.000 0.889 CB 1.766 S: 25 82.764 2.582 1.282 0.940 1.000 0.542 CB 1.991 25 residues pruned to eliminate duplicates T: 21 61.875 2.627 1.173 0.862 0.950 0.750 CA 1.874 21 residues pruned to eliminate duplicates U: 31 63.314 2.514 1.010 0.949 0.967 0.800 CB 1.633 19 residues pruned to eliminate duplicates V: 11 30.791 2.378 0.833 0.857 1.000 1.000 CB 1.646 11 residues pruned to eliminate duplicates W: 11 29.975 2.511 0.588 0.909 1.000 1.000 CB 1.686 11 residues pruned to eliminate duplicates X: 22 54.513 2.545 0.948 0.869 1.000 0.810 CA 1.752 22 residues pruned to eliminate duplicates Y: 31 69.025 2.527 1.257 0.928 0.933 0.733 CB 1.658 31 residues pruned to eliminate duplicates Z: 16 43.180 2.481 1.111 0.782 0.867 0.533 CB 1.917 15 residues pruned to eliminate duplicates Z: 28 50.877 2.465 0.834 0.805 0.889 0.741 CA 1.868 29 residues pruned to eliminate duplicates Z: 22 56.759 2.519 1.027 0.867 1.000 0.762 CA 1.774 22 residues pruned to eliminate duplicates Z: 19 54.464 2.492 1.103 0.929 1.000 0.889 CB 1.714 Z: 26 82.760 2.501 1.459 0.951 1.000 0.480 CB 1.855 26 residues pruned to eliminate duplicates Z: 10 29.719 2.592 0.600 0.811 1.000 0.778 CB 1.821 11 residues pruned to eliminate duplicates Z: 26 89.722 2.563 1.523 0.943 1.000 0.520 CA 1.923 25 residues pruned to eliminate duplicates Z: 12 34.721 2.305 1.197 0.915 1.000 0.909 CB 1.462 12 residues pruned to eliminate duplicates Z: 18 51.598 2.455 0.984 0.876 1.000 0.941 CB 1.866 18 residues pruned to eliminate duplicates Z: 32 50.028 2.448 0.676 0.933 0.935 0.871 CB 1.633 32 residues pruned to eliminate duplicates Z: 180 153.698 2.584 1.142 0.705 0.972 0.592 CB 1.771 121 residues pruned to eliminate duplicates Z: 18 55.530 2.492 1.241 0.932 0.941 0.882 CB 1.789 18 residues pruned to eliminate duplicates Z: 23 70.844 2.596 1.374 0.938 0.955 0.591 CB 1.785 23 residues pruned to eliminate duplicates Z: 18 64.383 2.514 1.483 0.891 1.000 0.765 CB 1.797 18 residues pruned to eliminate duplicates Z: 27 63.596 2.528 0.987 0.943 0.962 0.885 CB 1.790 27 residues pruned to eliminate duplicates Z: 20 34.768 2.148 0.822 0.879 1.000 0.632 CB 1.478 Z: 21 59.989 2.579 1.221 0.853 0.950 0.600 CB 1.822 21 residues pruned to eliminate duplicates Z: 17 48.608 2.538 1.122 0.911 0.938 0.875 CB 1.705 17 residues pruned to eliminate duplicates Z: 25 92.852 2.629 1.544 0.949 0.958 0.500 CB 2.040 26 residues pruned to eliminate duplicates Z: 27 47.826 2.482 0.701 0.935 0.962 0.885 CB 1.610 27 residues pruned to eliminate duplicates Z: 25 80.229 2.608 1.444 0.905 0.958 0.708 CB 1.907 25 residues pruned to eliminate duplicates Z: 17 39.357 2.493 0.628 0.939 1.000 0.938 CB 1.685 17 residues pruned to eliminate duplicates Z: 182 146.607 2.570 1.016 0.709 0.967 0.735 CB 1.800 41 residues pruned to eliminate duplicates Z: 18 55.825 2.453 1.411 0.915 0.941 0.765 CB 1.718 18 residues pruned to eliminate duplicates Z: 33 49.550 2.363 0.780 0.880 0.969 0.906 CB 1.558 33 residues pruned to eliminate duplicates Z: 21 60.012 2.607 1.153 0.871 1.000 0.800 CA 1.744 22 residues pruned to eliminate duplicates Z: 30 64.573 2.558 0.989 0.953 1.000 0.759 CB 1.621 30 residues pruned to eliminate duplicates Z: 29 53.465 2.384 0.857 0.851 0.964 0.643 CB 1.751 Z: 28 50.621 2.477 0.837 0.812 0.926 0.593 CA 1.762 28 residues pruned to eliminate duplicates Z: 25 78.392 2.576 1.326 0.932 0.958 0.750 CA 1.946 25 residues pruned to eliminate duplicates Z: 31 72.729 2.544 1.233 0.924 0.967 0.767 CB 1.698 31 residues pruned to eliminate duplicates Z: 22 44.160 2.433 0.915 0.883 0.857 0.619 CB 1.744 Z: 31 57.168 2.500 0.773 0.934 0.967 0.933 CB 1.698 31 residues pruned to eliminate duplicates Z: 22 66.039 2.561 1.193 0.873 1.000 0.762 CB 1.868 22 residues pruned to eliminate duplicates Z: 18 35.131 2.326 0.853 0.854 1.000 0.765 CB 1.460 19 residues pruned to eliminate duplicates Z: 17 50.588 2.509 1.005 0.896 1.000 0.938 CB 1.801 17 residues pruned to eliminate duplicates Z: 27 58.898 2.410 1.184 0.926 0.923 0.654 CB 1.667 22 residues pruned to eliminate duplicates Z: 31 76.963 2.571 1.522 0.927 0.900 0.500 CB 1.687 31 residues pruned to eliminate duplicates Z: 11 30.743 2.516 0.720 0.916 1.000 1.000 CB 1.586 11 residues pruned to eliminate duplicates Z: 11 36.482 2.365 1.140 0.885 1.000 1.000 CB 1.646 11 residues pruned to eliminate duplicates Z: 18 58.238 2.428 1.297 0.914 1.000 0.941 CB 1.791 18 residues pruned to eliminate duplicates Z: 29 53.927 2.402 0.988 0.812 0.929 0.643 CA 1.752 29 residues pruned to eliminate duplicates Z: 17 45.979 2.514 0.825 0.946 1.000 0.688 CB 1.732 17 residues pruned to eliminate duplicates Z: 22 54.793 2.493 1.069 0.847 1.000 0.762 CA 1.722 22 residues pruned to eliminate duplicates Z: 22 62.806 2.586 1.153 0.868 0.952 0.667 CB 1.890 22 residues pruned to eliminate duplicates Z: 25 67.067 2.561 1.025 0.951 0.958 0.875 CA 1.898 25 residues pruned to eliminate duplicates Z: 14 49.419 2.567 1.005 0.931 1.000 0.923 CA 1.861 14 residues pruned to eliminate duplicates Z: 32 57.731 2.452 0.850 0.912 0.968 0.806 CB 1.672 31 residues pruned to eliminate duplicates Z: 18 39.761 2.417 0.783 0.868 0.882 0.824 CB 1.853 18 residues pruned to eliminate duplicates Z: 27 58.144 2.527 0.831 0.949 1.000 0.846 CB 1.701 27 residues pruned to eliminate duplicates Z: 29 77.055 2.544 1.542 0.930 0.964 0.321 CB 1.632 29 residues pruned to eliminate duplicates Z: 12 26.147 2.321 0.887 0.777 0.909 0.727 CA 1.551 12 residues pruned to eliminate duplicates Z: 19 61.971 2.477 1.464 0.872 0.944 0.667 CB 1.848 19 residues pruned to eliminate duplicates Z: 26 63.333 2.549 0.900 0.935 0.960 0.840 CA 1.899 26 residues pruned to eliminate duplicates Z: 17 49.530 2.445 0.974 0.917 1.000 0.875 CB 1.811 17 residues pruned to eliminate duplicates Z: 30 76.819 2.522 1.479 0.928 1.000 0.517 CB 1.597 30 residues pruned to eliminate duplicates Z: 26 60.087 2.376 1.182 0.930 0.920 0.600 CB 1.762 Z: 29 58.429 2.518 0.855 0.959 0.964 0.929 CB 1.680 29 residues pruned to eliminate duplicates Z: 20 57.691 2.351 1.209 0.925 1.000 0.842 CB 1.789 17 residues pruned to eliminate duplicates Z: 22 63.583 2.564 1.285 0.863 1.000 0.714 CB 1.738 22 residues pruned to eliminate duplicates Z: 11 33.770 2.466 0.843 0.812 1.000 0.800 CA 1.792 11 residues pruned to eliminate duplicates Z: 32 54.328 2.423 0.751 0.925 0.968 0.871 CA 1.668 32 residues pruned to eliminate duplicates Z: 18 68.004 2.534 1.576 0.906 1.000 0.882 CB 1.797 18 residues pruned to eliminate duplicates Z: 28 65.385 2.499 1.086 0.908 1.000 0.889 CB 1.714 28 residues pruned to eliminate duplicates Z: 30 69.843 2.496 1.332 0.908 1.000 0.690 CB 1.582 30 residues pruned to eliminate duplicates Z: 20 56.244 2.509 1.126 0.907 0.947 0.579 CB 1.815 21 residues pruned to eliminate duplicates Z: 19 54.829 2.361 1.246 0.896 0.944 0.833 CB 1.848 19 residues pruned to eliminate duplicates Z: 28 60.452 2.480 1.044 0.850 0.889 0.667 CB 1.913 28 residues pruned to eliminate duplicates Z: 24 96.739 2.683 1.492 0.951 1.000 0.739 CB 2.080 25 residues pruned to eliminate duplicates Z: 18 44.655 2.446 0.882 0.894 1.000 0.824 CB 1.687 18 residues pruned to eliminate duplicates Z: 21 53.132 2.488 1.058 0.886 1.000 0.850 CA 1.674 21 residues pruned to eliminate duplicates Z: 31 75.922 2.554 1.343 0.957 0.967 0.700 CB 1.645 31 residues pruned to eliminate duplicates Z: 26 65.958 2.532 0.946 0.925 0.960 0.640 CA 1.957 26 residues pruned to eliminate duplicates Z: 27 72.729 2.585 1.206 0.946 1.000 0.731 CB 1.729 27 residues pruned to eliminate duplicates Z: 26 80.266 2.618 1.365 0.948 1.000 0.640 CB 1.791 26 residues pruned to eliminate duplicates Z: 32 53.255 2.421 0.754 0.926 0.968 0.871 CB 1.633 32 residues pruned to eliminate duplicates Z: 29 60.048 2.430 1.118 0.910 1.000 0.643 CB 1.564 29 residues pruned to eliminate duplicates Z: 28 61.734 2.428 1.100 0.867 0.963 0.741 CB 1.770 29 residues pruned to eliminate duplicates Z: 25 94.947 2.578 1.637 0.958 1.000 0.500 CB 1.956 25 residues pruned to eliminate duplicates Z: 27 62.153 2.459 1.240 0.906 0.923 0.615 CB 1.706 27 residues pruned to eliminate duplicates Z: 28 71.430 2.519 1.321 0.934 1.000 0.481 CB 1.640 28 residues pruned to eliminate duplicates Z: 26 55.602 2.356 0.978 0.913 0.960 0.880 CB 1.759 26 residues pruned to eliminate duplicates Z: 25 82.275 2.594 1.383 0.924 0.958 0.625 CA 1.991 24 residues pruned to eliminate duplicates Z: 18 53.882 2.535 1.067 0.920 1.000 0.941 CB 1.757 18 residues pruned to eliminate duplicates Z: 19 59.437 2.639 1.271 0.860 0.944 0.611 CB 1.820 19 residues pruned to eliminate duplicates Z: 28 65.620 2.481 1.066 0.827 1.000 0.593 CB 1.856 28 residues pruned to eliminate duplicates Z: 91 87.558 2.542 0.945 0.599 0.922 0.589 CB 1.842 45 residues pruned to eliminate duplicates Z: 14 51.190 2.525 1.015 0.945 1.000 0.846 CA 1.931 14 residues pruned to eliminate duplicates Z: 31 83.026 2.558 1.562 0.950 0.967 0.500 CB 1.651 32 residues pruned to eliminate duplicates Z: 27 72.973 2.592 1.344 0.948 0.923 0.846 CB 1.762 27 residues pruned to eliminate duplicates Z: 18 40.042 2.355 1.011 0.889 1.000 0.765 CB 1.477 18 residues pruned to eliminate duplicates Z: 29 56.515 2.324 1.299 0.897 0.893 0.429 CB 1.604 29 residues pruned to eliminate duplicates Z: 19 33.048 2.254 0.871 0.844 0.944 0.389 CB 1.455 19 residues pruned to eliminate duplicates Z: 26 60.252 2.512 0.911 0.924 0.920 0.720 CA 1.916 26 residues pruned to eliminate duplicates Z: 31 66.559 2.522 0.921 0.953 1.000 0.967 CB 1.726 31 residues pruned to eliminate duplicates Z: 18 36.052 2.352 1.106 0.859 0.882 0.412 CB 1.473 18 residues pruned to eliminate duplicates Z: 28 58.995 2.463 0.993 0.862 0.926 0.741 CB 1.835 28 residues pruned to eliminate duplicates Z: 28 55.817 2.452 0.933 0.857 0.926 0.556 CB 1.804 28 residues pruned to eliminate duplicates Z: 27 68.385 2.571 1.074 0.933 1.000 0.615 CB 1.756 27 residues pruned to eliminate duplicates Z: 32 84.789 2.520 1.509 0.949 1.000 0.710 CB 1.663 32 residues pruned to eliminate duplicates Z: 11 33.632 2.410 1.028 0.808 1.000 0.700 CB 1.664 Z: 28 59.246 2.409 0.993 0.810 0.963 0.630 CA 1.883 28 residues pruned to eliminate duplicates Z: 26 63.951 2.523 0.902 0.930 1.000 0.920 CA 1.863 26 residues pruned to eliminate duplicates Z: 23 61.337 2.447 1.203 0.866 1.000 0.727 CA 1.775 23 residues pruned to eliminate duplicates Z: 27 55.143 2.245 1.262 0.895 0.923 0.731 CB 1.654 27 residues pruned to eliminate duplicates Z: 30 69.767 2.542 1.292 0.963 0.966 0.724 CB 1.575 30 residues pruned to eliminate duplicates Z: 25 58.525 2.393 1.228 0.917 0.917 0.583 CB 1.725 25 residues pruned to eliminate duplicates Z: 22 46.715 2.472 0.910 0.860 0.952 0.714 CA 1.667 22 residues pruned to eliminate duplicates Z: 18 73.220 2.631 1.593 0.928 1.000 0.706 CB 1.823 17 residues pruned to eliminate duplicates Z: 31 56.242 2.501 0.778 0.926 0.967 0.767 CB 1.676 31 residues pruned to eliminate duplicates Z: 25 68.132 2.403 1.445 0.951 0.958 0.417 CB 1.702 26 residues pruned to eliminate duplicates Z: 181 147.399 2.528 1.099 0.711 0.967 0.672 CB 1.769 145 residues pruned to eliminate duplicates Z: 18 42.708 2.382 1.144 0.890 1.000 0.588 CB 1.459 19 residues pruned to eliminate duplicates Z: 24 50.801 2.325 0.784 0.935 1.000 0.739 CA 1.780 24 residues pruned to eliminate duplicates Z: 21 38.271 2.509 0.525 0.924 0.950 0.850 CB 1.652 21 residues pruned to eliminate duplicates Z: 28 58.709 2.451 1.080 0.751 0.963 0.630 CB 1.840 28 residues pruned to eliminate duplicates Z: 22 55.475 2.542 0.902 0.864 1.000 0.857 CA 1.836 22 residues pruned to eliminate duplicates Z: 11 52.083 2.711 1.129 0.918 1.000 0.900 CB 2.012 11 residues pruned to eliminate duplicates Z: 25 74.033 2.390 1.519 0.939 1.000 0.542 CB 1.745 25 residues pruned to eliminate duplicates Z: 113 120.908 2.536 1.252 0.722 0.955 0.598 CB 1.714 113 residues pruned to eliminate duplicates Z: 28 52.830 2.423 1.014 0.840 0.852 0.556 CB 1.825 28 residues pruned to eliminate duplicates Z: 35 64.280 2.550 1.057 0.663 1.000 0.647 CB 1.808 35 residues pruned to eliminate duplicates Z: 27 51.465 2.394 1.235 0.890 0.846 0.423 CB 1.603 27 residues pruned to eliminate duplicates Z: 22 49.533 2.528 0.762 0.872 1.000 0.857 CA 1.768 22 residues pruned to eliminate duplicates Z: 31 63.409 2.524 0.945 0.933 0.967 0.800 CB 1.702 31 residues pruned to eliminate duplicates Z: 28 63.729 2.491 1.014 0.867 0.926 0.667 CB 1.931 28 residues pruned to eliminate duplicates Z: 12 22.359 2.239 0.955 0.848 0.818 0.818 CB 1.396 12 residues pruned to eliminate duplicates Z: 13 34.692 2.378 0.701 0.926 1.000 1.000 CA 1.736 13 residues pruned to eliminate duplicates Z: 31 59.066 2.541 0.749 0.931 0.967 0.833 CB 1.754 31 residues pruned to eliminate duplicates Z: 22 48.812 2.471 0.955 0.861 0.952 0.667 CA 1.700 22 residues pruned to eliminate duplicates Z: 17 47.803 2.260 1.364 0.904 1.000 0.625 CB 1.593 17 residues pruned to eliminate duplicates Z: 23 61.076 2.406 1.161 0.950 1.000 0.818 CB 1.727 22 residues pruned to eliminate duplicates Z: 28 47.740 2.394 0.802 0.907 0.889 0.704 CB 1.702 28 residues pruned to eliminate duplicates Z: 7 13.258 2.000 0.601 0.868 1.000 1.000 CB 1.235 7 residues pruned to eliminate duplicates Z: 26 61.819 2.563 1.046 0.821 1.000 0.760 CB 1.784 26 residues pruned to eliminate duplicates Z: 11 34.394 2.476 0.882 0.820 1.000 1.000 CA 1.768 11 residues pruned to eliminate duplicates Z: 20 35.312 2.459 0.841 0.778 0.789 0.684 CA 1.773 20 residues pruned to eliminate duplicates Z: 22 61.753 2.494 1.217 0.859 1.000 0.714 CA 1.794 22 residues pruned to eliminate duplicates Z: 22 57.372 2.526 0.969 0.881 1.000 0.857 CA 1.823 22 residues pruned to eliminate duplicates Z: 16 42.891 2.439 0.828 0.940 0.933 0.800 CA 1.848 16 residues pruned to eliminate duplicates Z: 25 64.631 2.364 1.475 0.938 0.917 0.458 CB 1.711 25 residues pruned to eliminate duplicates Z: 182 150.829 2.591 1.121 0.679 0.961 0.580 CB 1.799 182 residues pruned to eliminate duplicates Z: 21 66.835 2.635 1.194 0.892 1.000 0.650 CA 1.857 21 residues pruned to eliminate duplicates Z: 22 62.094 2.475 1.207 0.890 1.000 0.667 CB 1.784 22 residues pruned to eliminate duplicates Z: 31 77.713 2.541 1.368 0.950 0.967 0.633 CB 1.682 31 residues pruned to eliminate duplicates Z: 18 45.236 2.436 1.044 0.928 1.000 0.588 CB 1.543 18 residues pruned to eliminate duplicates Z: 22 62.515 2.564 1.074 0.890 1.000 0.905 CA 1.846 22 residues pruned to eliminate duplicates Z: 28 65.480 2.406 1.200 0.921 1.000 0.481 CB 1.675 28 residues pruned to eliminate duplicates Z: 32 57.244 2.462 0.904 0.886 0.968 0.903 CB 1.634 32 residues pruned to eliminate duplicates Z: 31 63.237 2.520 1.331 0.937 0.833 0.500 CB 1.641 31 residues pruned to eliminate duplicates Z: 11 29.820 2.348 0.854 0.853 0.900 0.800 CA 1.780 Z: 29 45.058 2.371 0.932 0.787 0.821 0.500 CB 1.758 29 residues pruned to eliminate duplicates Z: 25 65.481 2.405 1.290 0.938 0.958 0.750 CB 1.761 25 residues pruned to eliminate duplicates Z: 17 64.083 2.474 1.471 0.920 1.000 0.500 CB 1.846 17 residues pruned to eliminate duplicates Z: 12 29.794 2.376 0.811 0.837 1.000 0.818 CA 1.561 12 residues pruned to eliminate duplicates Z: 21 63.549 2.588 1.222 0.876 1.000 0.700 CB 1.795 21 residues pruned to eliminate duplicates Z: 19 59.279 2.431 1.259 0.906 1.000 0.611 CB 1.810 19 residues pruned to eliminate duplicates Z: 28 55.996 2.407 0.986 0.900 0.926 0.667 CB 1.739 28 residues pruned to eliminate duplicates Z: 28 67.748 2.513 1.379 0.917 0.926 0.667 CB 1.662 28 residues pruned to eliminate duplicates Z: 28 60.387 2.378 1.083 0.889 0.963 0.704 CA 1.755 28 residues pruned to eliminate duplicates Z: 28 67.320 2.534 1.080 0.821 0.963 0.519 CB 1.931 28 residues pruned to eliminate duplicates Z: 27 47.209 2.517 0.721 0.849 0.885 0.731 CB 1.791 27 residues pruned to eliminate duplicates Z: 26 63.030 2.540 0.961 0.932 0.960 0.800 CA 1.840 26 residues pruned to eliminate duplicates Z: 11 21.441 2.301 0.555 0.857 0.900 0.900 CA 1.551 11 residues pruned to eliminate duplicates Z: 27 72.620 2.541 1.223 0.926 1.000 0.846 CB 1.769 27 residues pruned to eliminate duplicates Z: 29 67.069 2.427 1.267 0.929 1.000 0.714 CB 1.612 29 residues pruned to eliminate duplicates Z: 7 11.377 2.105 0.494 0.619 0.833 0.667 CA 1.584 7 residues pruned to eliminate duplicates Z: 28 66.800 2.419 1.278 0.916 0.926 0.667 CB 1.780 28 residues pruned to eliminate duplicates Z: 23 67.614 2.638 1.270 0.929 0.864 0.455 CB 1.950 23 residues pruned to eliminate duplicates Z: 18 66.842 2.507 1.618 0.918 1.000 0.588 CB 1.742 18 residues pruned to eliminate duplicates Z: 32 73.610 2.464 1.319 0.923 0.935 0.645 CB 1.739 32 residues pruned to eliminate duplicates Z: 28 66.437 2.496 1.238 0.850 0.889 0.741 CB 1.907 28 residues pruned to eliminate duplicates Z: 28 52.343 2.403 0.732 0.932 1.000 0.889 CB 1.691 28 residues pruned to eliminate duplicates Z: 28 61.326 2.409 0.984 0.933 0.963 0.741 CB 1.790 28 residues pruned to eliminate duplicates Z: 26 66.748 2.366 1.489 0.894 0.960 0.640 CB 1.694 26 residues pruned to eliminate duplicates Z: 31 45.766 2.426 1.119 0.902 0.767 0.567 CB 1.512 31 residues pruned to eliminate duplicates Z: 12 26.739 2.231 0.810 0.893 1.000 0.909 CB 1.434 11 residues pruned to eliminate duplicates Z: 187 142.598 2.502 1.205 0.694 0.941 0.554 CB 1.688 146 residues pruned to eliminate duplicates Z: 26 63.237 2.544 0.877 0.935 0.960 0.800 CA 1.924 26 residues pruned to eliminate duplicates Z: 6 10.334 2.244 0.169 0.671 1.000 0.800 CA 1.504 Z: 31 71.123 2.511 1.177 0.944 0.967 0.600 CB 1.702 31 residues pruned to eliminate duplicates Z: 28 61.026 2.399 1.190 0.894 0.889 0.481 CB 1.803 28 residues pruned to eliminate duplicates Z: 11 43.919 2.393 1.076 0.922 1.000 0.900 CB 1.965 11 residues pruned to eliminate duplicates Z: 10 19.447 2.401 0.616 0.806 0.778 0.667 CB 1.644 Z: 26 51.968 2.348 0.951 0.873 0.960 0.840 CA 1.721 26 residues pruned to eliminate duplicates Z: 28 72.267 2.526 1.279 0.927 1.000 0.630 CB 1.693 28 residues pruned to eliminate duplicates Z: 16 30.115 2.323 0.922 0.803 0.867 0.667 CB 1.543 16 residues pruned to eliminate duplicates Z: 19 36.091 2.373 0.909 0.813 0.944 0.500 CB 1.514 18 residues pruned to eliminate duplicates Z: 27 76.638 2.560 1.342 0.933 1.000 0.808 CB 1.750 27 residues pruned to eliminate duplicates Z: 22 56.655 2.511 1.001 0.873 1.000 0.714 CA 1.792 22 residues pruned to eliminate duplicates Z: 11 20.576 2.357 0.519 0.793 0.800 0.700 CB 1.758 13 residues pruned to eliminate duplicates Z: 32 53.842 2.462 0.694 0.928 0.968 0.935 CB 1.678 32 residues pruned to eliminate duplicates Z: 11 28.590 2.437 0.575 0.908 1.000 0.900 CB 1.672 11 residues pruned to eliminate duplicates Z: 56 83.761 2.624 1.094 0.690 0.964 0.691 CB 1.793 62 residues pruned to eliminate duplicates Z: 22 56.683 2.520 1.033 0.884 0.952 0.905 CA 1.832 22 residues pruned to eliminate duplicates Z: 30 75.795 2.594 1.333 0.941 0.966 0.690 CB 1.671 30 residues pruned to eliminate duplicates Z: 32 61.071 2.466 1.361 0.916 0.839 0.355 CB 1.586 32 residues pruned to eliminate duplicates Z: 26 60.808 2.458 1.358 0.942 0.880 0.440 CB 1.653 26 residues pruned to eliminate duplicates Z: 28 63.442 2.424 1.141 0.930 0.963 0.667 CB 1.709 28 residues pruned to eliminate duplicates Z: 24 68.288 2.437 1.431 0.951 0.957 0.652 CB 1.731 24 residues pruned to eliminate duplicates Z: 25 95.038 2.620 1.531 0.940 1.000 0.708 CA 2.031 25 residues pruned to eliminate duplicates Z: 31 72.221 2.518 1.410 0.915 0.967 0.400 CB 1.588 31 residues pruned to eliminate duplicates Z: 22 53.044 2.530 0.895 0.871 0.952 0.810 CA 1.849 22 residues pruned to eliminate duplicates Z: 33 70.390 2.452 1.401 0.909 0.938 0.500 CB 1.600 33 residues pruned to eliminate duplicates Z: 28 57.033 2.465 0.922 0.838 0.963 0.778 CB 1.799 28 residues pruned to eliminate duplicates Z: 17 59.666 2.667 1.186 0.934 1.000 0.875 CB 1.783 17 residues pruned to eliminate duplicates Z: 174 139.521 2.589 1.010 0.702 0.948 0.665 CB 1.790 184 residues pruned to eliminate duplicates Z: 214 160.875 2.522 1.109 0.740 0.958 0.709 CB 1.746 194 residues pruned to eliminate duplicates Z: 30 78.690 2.607 1.304 0.934 1.000 0.655 CB 1.697 30 residues pruned to eliminate duplicates Z: 32 56.685 2.429 1.201 0.882 0.903 0.355 CB 1.526 32 residues pruned to eliminate duplicates Z: 27 66.753 2.528 1.129 0.862 0.923 0.769 CA 1.935 27 residues pruned to eliminate duplicates Z: 29 50.776 2.538 0.955 0.662 0.964 0.679 CB 1.725 29 residues pruned to eliminate duplicates Z: 13 42.838 2.474 1.049 0.931 1.000 0.917 CB 1.705 13 residues pruned to eliminate duplicates Z: 27 59.547 2.444 0.814 0.934 1.000 0.846 CB 1.837 27 residues pruned to eliminate duplicates Z: 28 48.288 2.430 1.009 0.854 0.889 0.630 CB 1.582 28 residues pruned to eliminate duplicates Z: 28 68.610 2.501 1.403 0.912 0.963 0.630 CB 1.616 28 residues pruned to eliminate duplicates Z: 172 139.269 2.550 1.002 0.734 0.959 0.667 CB 1.763 172 residues pruned to eliminate duplicates Z: 18 35.770 2.227 1.039 0.875 1.000 0.529 CB 1.389 18 residues pruned to eliminate duplicates Z: 24 56.562 2.399 1.065 0.920 1.000 0.783 CB 1.677 24 residues pruned to eliminate duplicates Z: 17 30.489 2.247 0.739 0.795 0.938 0.812 CA 1.607 17 residues pruned to eliminate duplicates Z: 29 51.679 2.433 1.049 0.743 0.821 0.464 CA 1.920 29 residues pruned to eliminate duplicates Z: 51 78.996 2.421 1.167 0.908 0.920 0.780 CB 1.643 51 residues pruned to eliminate duplicates Z: 17 28.804 2.154 0.630 0.796 0.938 0.688 CA 1.688 17 residues pruned to eliminate duplicates Z: 183 144.185 2.557 1.137 0.659 0.956 0.533 CB 1.764 183 residues pruned to eliminate duplicates Z: 28 59.651 2.381 1.134 0.927 0.926 0.741 CB 1.710 28 residues pruned to eliminate duplicates Z: 18 27.613 2.229 0.796 0.782 0.941 0.706 CB 1.386 18 residues pruned to eliminate duplicates Z: 27 46.041 2.210 0.784 0.922 1.000 0.962 CA 1.610 27 residues pruned to eliminate duplicates Z: 29 56.342 2.359 1.062 0.918 0.929 0.786 CB 1.662 29 residues pruned to eliminate duplicates Z: 26 65.507 2.559 1.108 0.945 0.960 0.800 CB 1.751 26 residues pruned to eliminate duplicates Z: 31 62.357 2.474 1.188 0.896 0.967 0.500 CB 1.558 31 residues pruned to eliminate duplicates Z: 11 34.959 2.458 0.945 0.837 1.000 0.800 CA 1.730 11 residues pruned to eliminate duplicates Z: 25 42.060 2.328 0.588 0.933 0.958 0.875 CB 1.691 25 residues pruned to eliminate duplicates Z: 26 53.633 2.328 0.889 0.928 1.000 0.920 CA 1.708 26 residues pruned to eliminate duplicates Z: 22 50.638 2.520 1.046 0.841 0.905 0.667 CA 1.766 22 residues pruned to eliminate duplicates Z: 32 70.989 2.467 1.277 0.941 1.000 0.839 CB 1.575 32 residues pruned to eliminate duplicates Z: 25 84.450 2.588 1.416 0.948 0.958 0.417 CA 1.987 25 residues pruned to eliminate duplicates Z: 20 35.344 2.157 0.985 0.804 1.000 0.526 CB 1.453 20 residues pruned to eliminate duplicates Z: 31 64.524 2.495 0.999 0.929 0.967 0.833 CB 1.710 31 residues pruned to eliminate duplicates Z: 25 52.698 2.365 0.907 0.927 1.000 0.958 CA 1.671 25 residues pruned to eliminate duplicates Z: 11 21.950 2.128 1.038 0.820 0.900 0.900 CB 1.347 11 residues pruned to eliminate duplicates Z: 14 45.113 2.445 1.139 0.918 1.000 0.692 CB 1.686 14 residues pruned to eliminate duplicates Z: 21 28.675 2.270 0.801 0.846 0.800 0.550 CB 1.457 21 residues pruned to eliminate duplicates Z: 25 79.499 2.547 1.407 0.941 0.958 0.417 CB 1.917 25 residues pruned to eliminate duplicates Z: 18 31.405 2.199 1.103 0.851 0.941 0.706 CB 1.295 18 residues pruned to eliminate duplicates Z: 23 73.024 2.478 1.502 0.955 1.000 0.409 CB 1.726 25 residues pruned to eliminate duplicates Z: 23 41.481 2.477 0.514 0.953 1.000 0.909 CB 1.624 23 residues pruned to eliminate duplicates Z: 25 50.809 2.374 0.756 0.940 1.000 0.917 CB 1.727 25 residues pruned to eliminate duplicates Z: 231 152.934 2.484 1.083 0.715 0.948 0.639 CB 1.693 231 residues pruned to eliminate duplicates Z: 28 54.757 2.469 0.912 0.861 0.852 0.704 CB 1.925 28 residues pruned to eliminate duplicates Z: 19 31.158 2.113 0.985 0.847 0.944 0.500 CB 1.377 19 residues pruned to eliminate duplicates Z: 27 55.997 2.450 0.778 0.918 1.000 0.885 CB 1.778 27 residues pruned to eliminate duplicates Z: 19 57.825 2.443 1.245 0.908 1.000 0.500 CB 1.765 19 residues pruned to eliminate duplicates Z: 25 63.045 2.371 1.376 0.924 0.917 0.375 CB 1.750 24 residues pruned to eliminate duplicates Z: 20 31.132 2.164 0.857 0.781 0.947 0.526 CB 1.464 20 residues pruned to eliminate duplicates Z: 22 55.024 2.534 1.093 0.879 0.952 0.714 CB 1.723 22 residues pruned to eliminate duplicates Z: 10 38.851 2.585 0.880 0.881 1.000 0.556 CB 1.930 Z: 28 62.364 2.521 0.895 0.932 1.000 0.889 CB 1.755 28 residues pruned to eliminate duplicates Z: 7 6.832 1.672 0.804 0.858 1.000 0.667 CB 0.681 7 residues pruned to eliminate duplicates Z: 12 33.601 2.354 0.749 0.837 1.000 0.727 CA 1.841 12 residues pruned to eliminate duplicates Z: 73 81.470 2.513 1.063 0.670 0.931 0.583 CB 1.701 73 residues pruned to eliminate duplicates Z: 17 43.674 2.536 0.833 0.894 1.000 0.812 CB 1.685 17 residues pruned to eliminate duplicates Z: 14 36.764 2.459 0.969 0.850 0.923 0.692 CB 1.690 14 residues pruned to eliminate duplicates Z: 183 152.069 2.564 1.127 0.698 0.956 0.571 CB 1.804 175 residues pruned to eliminate duplicates Z: 13 14.651 2.033 0.693 0.380 0.917 0.417 CB 1.524 13 residues pruned to eliminate duplicates Z: 33 57.166 2.397 0.872 0.900 1.000 0.812 CB 1.609 33 residues pruned to eliminate duplicates Z: 22 61.593 2.526 1.036 0.887 1.000 0.762 CB 1.884 22 residues pruned to eliminate duplicates Z: 28 56.868 2.501 0.905 0.935 0.963 0.704 CB 1.662 28 residues pruned to eliminate duplicates Z: 6 12.562 2.072 0.518 0.767 1.000 0.800 CA 1.410 6 residues pruned to eliminate duplicates Z: 24 75.190 2.413 1.536 0.955 1.000 0.609 CB 1.761 24 residues pruned to eliminate duplicates Z: 28 62.856 2.381 1.102 0.897 1.000 0.704 CB 1.730 28 residues pruned to eliminate duplicates Z: 185 138.188 2.496 1.135 0.701 0.935 0.554 CB 1.703 185 residues pruned to eliminate duplicates Z: 25 62.778 2.345 1.312 0.939 0.958 0.292 CB 1.715 25 residues pruned to eliminate duplicates Z: 183 149.441 2.581 1.167 0.695 0.945 0.538 CB 1.754 183 residues pruned to eliminate duplicates Z: 19 25.362 2.061 0.708 0.845 0.944 0.722 CB 1.337 19 residues pruned to eliminate duplicates Z: 7 8.624 1.813 0.670 0.724 0.667 0.333 CA 1.426 Z: 27 71.646 2.534 1.432 0.941 0.962 0.423 CB 1.646 27 residues pruned to eliminate duplicates Z: 182 158.616 2.591 1.179 0.706 0.972 0.591 CB 1.781 189 residues pruned to eliminate duplicates Z: 20 35.959 2.282 0.947 0.783 0.947 0.632 CB 1.528 19 residues pruned to eliminate duplicates Z: 17 58.444 2.388 1.318 0.889 1.000 0.812 CA 1.900 17 residues pruned to eliminate duplicates Z: 26 49.487 2.473 0.940 0.814 0.920 0.480 CB 1.707 26 residues pruned to eliminate duplicates Z: 71 79.987 2.534 0.978 0.624 0.971 0.714 CB 1.747 71 residues pruned to eliminate duplicates Z: 25 66.695 2.399 1.364 0.950 0.958 0.375 CB 1.727 25 residues pruned to eliminate duplicates Z: 27 73.375 2.461 1.301 0.927 0.962 0.500 CB 1.852 27 residues pruned to eliminate duplicates Z: 182 145.113 2.521 1.159 0.696 0.961 0.657 CB 1.723 169 residues pruned to eliminate duplicates Z: 12 26.748 2.300 0.998 0.882 0.909 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 7 7.625 2.076 0.307 0.642 0.833 0.833 CB 1.205 7 residues pruned to eliminate duplicates Z: 182 153.671 2.568 1.138 0.699 0.972 0.580 CB 1.786 182 residues pruned to eliminate duplicates Z: 184 140.205 2.521 1.161 0.711 0.923 0.557 CB 1.702 184 residues pruned to eliminate duplicates Z: 22 67.631 2.549 1.367 0.927 0.952 0.762 CB 1.799 22 residues pruned to eliminate duplicates Z: 24 50.972 2.570 0.795 0.916 1.000 1.000 CB 1.626 24 residues pruned to eliminate duplicates Z: 20 30.367 2.148 0.870 0.773 0.947 0.526 CB 1.438 Z: 13 42.809 2.359 1.544 0.926 1.000 0.417 CB 1.444 13 residues pruned to eliminate duplicates Z: 26 39.730 2.268 0.663 0.877 0.960 0.920 CA 1.594 Z: 9 19.779 2.145 0.556 0.885 1.000 0.750 CA 1.513 Z: 17 54.744 2.456 1.305 0.889 1.000 0.500 CB 1.741 17 residues pruned to eliminate duplicates Z: 20 36.560 2.209 0.705 0.919 0.947 0.895 CB 1.657 20 residues pruned to eliminate duplicates Z: 12 29.678 2.350 0.924 0.794 1.000 0.818 CA 1.530 9 residues pruned to eliminate duplicates Z: 25 46.377 2.356 0.847 0.901 0.917 0.708 CB 1.694 26 residues pruned to eliminate duplicates Z: 26 81.122 2.512 1.660 0.952 1.000 0.760 CB 1.673 26 residues pruned to eliminate duplicates Z: 7 9.351 1.580 0.635 0.722 1.000 0.833 CA 1.209 7 residues pruned to eliminate duplicates Z: 70 77.282 2.544 0.935 0.611 0.971 0.493 CB 1.751 70 residues pruned to eliminate duplicates Z: 27 67.180 2.455 1.174 0.934 0.962 0.500 CB 1.790 27 residues pruned to eliminate duplicates Z: 181 147.768 2.523 1.165 0.702 0.967 0.617 CB 1.736 58 residues pruned to eliminate duplicates Z: 31 66.222 2.456 1.208 0.903 1.000 0.633 CB 1.589 31 residues pruned to eliminate duplicates Z: 38 76.199 2.564 1.205 0.790 1.000 0.811 CB 1.718 38 residues pruned to eliminate duplicates Z: 29 46.281 2.390 1.004 0.777 0.821 0.429 CB 1.741 29 residues pruned to eliminate duplicates Z: 25 56.037 2.500 0.820 0.923 0.958 0.875 CA 1.844 25 residues pruned to eliminate duplicates Z: 28 63.894 2.384 1.137 0.915 0.963 0.741 CB 1.771 28 residues pruned to eliminate duplicates Z: 129 134.167 2.579 1.243 0.739 0.953 0.547 CB 1.735 129 residues pruned to eliminate duplicates Z: 12 30.117 2.333 0.852 0.809 1.000 0.727 CA 1.605 12 residues pruned to eliminate duplicates Z: 27 75.163 2.655 1.205 0.960 1.000 0.885 CB 1.725 27 residues pruned to eliminate duplicates Z: 26 55.052 2.324 1.111 0.896 0.960 0.920 CB 1.675 25 residues pruned to eliminate duplicates Z: 11 43.199 2.468 1.072 0.899 1.000 1.000 CB 1.909 11 residues pruned to eliminate duplicates Z: 18 29.643 2.191 0.733 0.865 1.000 0.882 CB 1.386 18 residues pruned to eliminate duplicates Z: 17 30.717 2.324 1.020 0.561 0.812 0.688 CB 1.897 17 residues pruned to eliminate duplicates Z: 6 4.470 1.621 0.675 0.409 0.800 0.600 N 1.013 Z: 25 67.370 2.594 0.969 0.912 0.958 0.750 CA 1.990 25 residues pruned to eliminate duplicates Z: 183 142.334 2.497 1.178 0.704 0.929 0.604 CB 1.736 183 residues pruned to eliminate duplicates Z: 22 51.268 2.489 1.081 0.850 0.905 0.571 CA 1.769 22 residues pruned to eliminate duplicates Z: 183 146.386 2.541 1.197 0.667 0.956 0.538 CB 1.742 183 residues pruned to eliminate duplicates Z: 18 31.836 2.138 0.961 0.841 1.000 0.647 CB 1.373 19 residues pruned to eliminate duplicates Z: 19 53.783 2.265 1.696 0.818 0.944 0.389 CB 1.668 19 residues pruned to eliminate duplicates Z: 67 91.217 2.578 1.097 0.731 0.970 0.742 CB 1.740 67 residues pruned to eliminate duplicates Z: 28 51.681 2.444 0.934 0.849 0.889 0.667 CB 1.754 28 residues pruned to eliminate duplicates Z: 6 8.575 1.870 0.298 0.637 1.000 0.200 CA 1.389 6 residues pruned to eliminate duplicates Z: 26 64.796 2.390 1.366 0.954 0.960 0.480 CB 1.642 26 residues pruned to eliminate duplicates Z: 30 47.427 2.332 1.101 0.745 0.897 0.414 CB 1.610 30 residues pruned to eliminate duplicates Z: 28 64.705 2.502 1.121 0.840 0.963 0.556 CB 1.818 28 residues pruned to eliminate duplicates Z: 22 64.207 2.512 1.424 0.873 0.952 0.810 CB 1.760 22 residues pruned to eliminate duplicates Z: 13 38.330 2.440 0.940 0.886 1.000 0.750 CA 1.686 13 residues pruned to eliminate duplicates Z: 148 132.822 2.551 1.102 0.741 0.959 0.673 CB 1.716 148 residues pruned to eliminate duplicates Z: 20 66.497 2.514 1.442 0.931 1.000 0.684 CB 1.737 20 residues pruned to eliminate duplicates Z: 68 58.369 2.377 0.887 0.526 0.925 0.567 CB 1.674 68 residues pruned to eliminate duplicates Z: 22 53.823 2.397 0.921 0.870 1.000 0.810 CA 1.860 22 residues pruned to eliminate duplicates Z: 12 13.912 2.063 0.623 0.463 0.909 0.636 CA 1.431 13 residues pruned to eliminate duplicates Z: 185 138.120 2.526 1.031 0.709 0.940 0.652 CB 1.747 185 residues pruned to eliminate duplicates Z: 7 13.766 1.899 0.801 0.883 1.000 0.833 CA 1.188 7 residues pruned to eliminate duplicates Z: 25 71.598 2.350 1.526 0.939 1.000 0.625 CB 1.712 26 residues pruned to eliminate duplicates Z: 26 44.915 2.324 1.114 0.876 0.800 0.480 CB 1.661 26 residues pruned to eliminate duplicates Z: 47 69.585 2.329 1.148 0.787 0.978 0.739 CB 1.629 46 residues pruned to eliminate duplicates Z: 8 17.948 2.311 0.550 0.858 0.857 0.714 CA 1.627 8 residues pruned to eliminate duplicates Z: 30 64.558 2.557 0.953 0.913 1.000 0.724 CB 1.699 30 residues pruned to eliminate duplicates Z: 51 56.748 2.391 0.904 0.609 0.920 0.600 CB 1.728 51 residues pruned to eliminate duplicates Z: 36 61.209 2.558 0.963 0.771 0.971 0.686 CB 1.669 36 residues pruned to eliminate duplicates Z: 33 59.000 2.400 1.234 0.891 0.906 0.500 CB 1.543 33 residues pruned to eliminate duplicates Z: 31 71.820 2.540 1.246 0.938 0.933 0.700 CB 1.712 31 residues pruned to eliminate duplicates Z: 43 66.396 2.540 0.925 0.700 0.929 0.405 CB 1.880 43 residues pruned to eliminate duplicates Z: 130 137.399 2.558 1.267 0.738 0.961 0.589 CB 1.754 130 residues pruned to eliminate duplicates Z: 21 38.401 2.160 1.125 0.823 0.950 0.650 CB 1.489 21 residues pruned to eliminate duplicates Z: 27 54.742 2.453 0.842 0.826 0.962 0.615 CB 1.864 27 residues pruned to eliminate duplicates Z: 69 76.510 2.351 1.090 0.651 0.956 0.721 CB 1.716 114 residues pruned to eliminate duplicates 6 1.785 1.492 -0.091 0.300 1.000 0.800 CB 0.736 ? Z: 26 65.672 2.497 1.105 0.927 0.920 0.560 CB 1.904 Z: 39 53.026 2.287 0.924 0.683 0.947 0.737 CA 1.744 39 residues pruned to eliminate duplicates Z: 6 2.894 1.772 -0.119 0.311 0.800 0.400 N 1.277 Z: 19 54.126 2.396 1.229 0.890 1.000 0.556 CB 1.719 19 residues pruned to eliminate duplicates Z: 20 29.131 2.087 0.750 0.810 0.947 0.526 CB 1.475 Z: 17 37.864 2.278 1.152 0.890 1.000 0.625 CB 1.389 20 residues pruned to eliminate duplicates Z: 51 65.721 2.518 0.851 0.619 0.960 0.600 CB 1.856 40 residues pruned to eliminate duplicates Z: 7 7.443 1.762 0.447 0.647 0.833 0.500 CB 1.247 Z: 8 9.149 1.811 0.458 0.784 1.000 0.714 CB 1.020 Z: 30 87.365 2.594 1.535 0.966 1.000 0.724 CB 1.683 30 residues pruned to eliminate duplicates Z: 6 12.229 2.097 0.312 0.794 1.000 0.600 CA 1.537 8 residues pruned to eliminate duplicates Z: 7 3.501 1.625 0.484 0.276 0.833 0.500 CB 0.917 Z: 16 50.980 2.563 1.119 0.911 1.000 0.600 CA 1.717 16 residues pruned to eliminate duplicates Z: 13 27.826 2.358 0.350 0.877 1.000 0.833 CB 1.833 13 residues pruned to eliminate duplicates Z: 17 49.981 2.325 1.115 0.883 1.000 0.688 CA 1.837 17 residues pruned to eliminate duplicates Z: 6 5.263 1.610 0.518 0.635 0.800 0.400 CB 1.060 Z: 21 22.200 2.271 0.650 0.371 0.900 0.500 CB 1.691 27 residues pruned to eliminate duplicates Z: 17 69.558 2.505 1.514 0.911 1.000 0.500 CB 1.958 17 residues pruned to eliminate duplicates Z: 29 39.638 2.456 0.940 0.510 0.929 0.536 CB 1.677 29 residues pruned to eliminate duplicates Z: 179 143.979 2.533 1.136 0.678 0.961 0.562 CB 1.762 151 residues pruned to eliminate duplicates Z: 6 5.464 1.662 0.652 0.633 0.600 0.400 O 1.308 Z: 27 58.133 2.599 0.971 0.956 0.962 0.731 CB 1.590 27 residues pruned to eliminate duplicates Z: 183 152.231 2.564 1.151 0.703 0.951 0.588 CB 1.788 183 residues pruned to eliminate duplicates Z: 8 14.828 1.917 0.667 0.861 1.000 0.714 CB 1.288 8 residues pruned to eliminate duplicates Z: 69 76.314 2.519 0.989 0.626 0.941 0.691 CB 1.742 52 residues pruned to eliminate duplicates Z: 25 55.798 2.321 1.282 0.903 0.958 0.667 CB 1.600 25 residues pruned to eliminate duplicates Z: 6 2.682 1.771 -0.235 0.470 1.000 0.800 CB 0.912 Z: 181 147.430 2.574 1.040 0.694 0.961 0.628 CB 1.824 113 residues pruned to eliminate duplicates Z: 181 132.783 2.512 1.021 0.690 0.939 0.700 CB 1.746 92 residues pruned to eliminate duplicates Z: 10 26.746 2.183 1.002 0.871 0.889 0.889 CA 1.673 10 residues pruned to eliminate duplicates Z: 72 90.597 2.481 1.070 0.766 0.944 0.606 CB 1.752 72 residues pruned to eliminate duplicates Z: 7 6.596 1.384 0.653 0.791 0.833 0.667 CB 1.094 Z: 18 35.975 2.313 1.122 0.842 0.941 0.471 CB 1.408 19 residues pruned to eliminate duplicates Z: 9 19.708 2.111 0.897 0.882 1.000 0.625 CB 1.258 9 residues pruned to eliminate duplicates Z: 48 75.197 2.417 1.113 0.779 0.957 0.809 CB 1.754 50 residues pruned to eliminate duplicates Z: 18 38.503 2.343 1.078 0.852 0.941 0.765 CB 1.507 18 residues pruned to eliminate duplicates Z: 28 57.593 2.363 1.151 0.891 0.963 0.593 CB 1.629 28 residues pruned to eliminate duplicates Z: 174 141.573 2.505 1.121 0.699 0.971 0.590 CB 1.739 174 residues pruned to eliminate duplicates Z: 11 35.597 2.427 1.214 0.766 1.000 0.600 CA 1.656 11 residues pruned to eliminate duplicates Z: 19 32.582 2.227 1.021 0.860 0.889 0.611 CB 1.411 19 residues pruned to eliminate duplicates Z: 78 108.172 2.545 1.379 0.744 0.987 0.597 CB 1.659 78 residues pruned to eliminate duplicates Z: 29 56.830 2.545 0.751 0.956 0.964 0.964 CB 1.716 29 residues pruned to eliminate duplicates Z: 6 3.647 1.731 0.502 0.442 0.600 0.600 CB 1.110 Z: 22 47.276 2.397 1.085 0.796 1.000 0.857 CB 1.593 22 residues pruned to eliminate duplicates Z: 49 58.569 2.419 1.053 0.573 0.958 0.625 CB 1.656 49 residues pruned to eliminate duplicates Z: 10 28.037 2.215 0.929 0.868 1.000 0.556 CB 1.599 Z: 18 30.380 2.288 0.910 0.851 0.882 0.529 CB 1.415 18 residues pruned to eliminate duplicates Z: 181 133.018 2.478 1.144 0.659 0.950 0.589 CB 1.695 165 residues pruned to eliminate duplicates Z: 9 26.750 2.567 0.744 0.842 0.875 0.750 CB 1.799 Z: 7 9.816 1.786 0.895 0.827 0.833 0.667 CA 1.071 Z: 19 30.057 2.154 0.659 0.881 1.000 0.889 CB 1.436 19 residues pruned to eliminate duplicates Z: 7 11.668 2.023 0.350 0.803 1.000 1.000 CB 1.339 7 residues pruned to eliminate duplicates Z: 68 67.389 2.434 1.013 0.575 0.925 0.657 CB 1.689 68 residues pruned to eliminate duplicates Z: 31 83.378 2.521 1.509 0.959 0.967 0.533 CB 1.707 31 residues pruned to eliminate duplicates Z: 6 6.347 1.591 0.939 0.814 1.000 0.800 CA 0.701 6 residues pruned to eliminate duplicates Z: 28 52.573 2.441 1.041 0.887 0.926 0.778 CB 1.582 28 residues pruned to eliminate duplicates Z: 13 30.547 2.090 1.229 0.700 1.000 0.750 CA 1.578 11 residues pruned to eliminate duplicates Z: 16 26.795 2.269 0.965 0.877 0.800 0.733 CB 1.409 16 residues pruned to eliminate duplicates Z: 8 4.768 1.925 0.194 0.339 0.714 0.286 CB 1.309 Z: 13 17.565 2.154 1.025 0.839 0.917 0.333 CB 0.947 12 residues pruned to eliminate duplicates Z: 12 11.397 1.994 0.573 0.349 0.909 0.364 CA 1.419 12 residues pruned to eliminate duplicates Z: 131 137.469 2.589 1.239 0.739 0.962 0.592 CB 1.745 131 residues pruned to eliminate duplicates Z: 18 29.158 2.250 1.009 0.847 0.882 0.647 CB 1.316 18 residues pruned to eliminate duplicates Z: 6 8.066 1.697 0.821 0.650 1.000 0.600 CA 1.015 Z: 27 64.853 2.561 0.939 0.869 1.000 0.731 CA 1.872 34 residues pruned to eliminate duplicates Z: 61 86.135 2.587 0.980 0.744 1.000 0.817 CB 1.745 61 residues pruned to eliminate duplicates Z: 6 2.442 1.486 0.662 0.431 0.600 0.600 CA 0.792 Z: 27 60.405 2.476 0.959 0.819 1.000 0.654 CA 1.852 27 residues pruned to eliminate duplicates Z: 19 31.155 2.304 0.979 0.829 0.833 0.667 CB 1.454 19 residues pruned to eliminate duplicates Z: 20 37.455 2.297 0.852 0.795 1.000 0.368 CB 1.560 20 residues pruned to eliminate duplicates Z: 25 60.279 2.307 1.290 0.920 0.958 0.458 CB 1.712 25 residues pruned to eliminate duplicates Z: 172 145.220 2.537 1.147 0.724 0.959 0.661 CB 1.737 187 residues pruned to eliminate duplicates Z: 24 34.289 2.277 0.966 0.698 0.957 0.565 CB 1.394 24 residues pruned to eliminate duplicates Z: 58 82.748 2.430 1.086 0.781 0.982 0.825 CB 1.718 58 residues pruned to eliminate duplicates Z: 30 67.534 2.539 1.111 0.943 1.000 0.793 CB 1.622 30 residues pruned to eliminate duplicates Z: 15 40.482 2.402 1.193 0.929 1.000 0.429 CB 1.437 15 residues pruned to eliminate duplicates Z: 96 113.185 2.580 1.084 0.767 0.968 0.779 CB 1.760 48 residues pruned to eliminate duplicates Z: 144 121.421 2.574 0.978 0.691 0.951 0.678 CB 1.760 144 residues pruned to eliminate duplicates Z: 18 54.226 2.423 1.296 0.904 1.000 0.706 CB 1.683 18 residues pruned to eliminate duplicates Z: 18 46.999 2.308 1.270 0.903 0.882 0.471 CB 1.757 18 residues pruned to eliminate duplicates Z: 7 6.639 1.875 0.168 0.609 0.833 0.333 CB 1.339 7 residues pruned to eliminate duplicates Z: 76 61.994 2.402 0.816 0.548 0.933 0.613 CB 1.678 76 residues pruned to eliminate duplicates Z: 9 6.310 1.383 0.854 0.690 0.750 0.625 N 0.975 Z: 18 34.586 2.310 0.770 0.853 0.941 0.765 CB 1.611 18 residues pruned to eliminate duplicates Z: 55 70.113 2.473 0.936 0.663 0.963 0.630 CB 1.780 55 residues pruned to eliminate duplicates Z: 61 73.826 2.521 1.031 0.637 0.933 0.600 CB 1.754 61 residues pruned to eliminate duplicates Z: 97 100.650 2.485 1.193 0.682 0.948 0.604 CB 1.682 97 residues pruned to eliminate duplicates Z: 12 46.146 2.558 1.509 0.734 0.909 0.727 CA 1.931 12 residues pruned to eliminate duplicates Z: 19 31.144 2.197 0.704 0.839 0.944 0.611 CA 1.551 19 residues pruned to eliminate duplicates Z: 32 68.541 2.472 1.172 0.920 0.968 0.806 CB 1.669 32 residues pruned to eliminate duplicates Z: 6 6.100 1.893 0.143 0.726 0.800 0.600 N 1.285 Z: 230 159.524 2.491 1.108 0.721 0.965 0.611 CB 1.704 226 residues pruned to eliminate duplicates Z: 89 91.652 2.543 0.961 0.691 0.932 0.602 CB 1.766 53 residues pruned to eliminate duplicates Z: 47 66.754 2.306 1.033 0.797 0.978 0.739 CB 1.655 47 residues pruned to eliminate duplicates Z: 33 62.916 2.433 1.147 0.860 0.969 0.656 CB 1.616 33 residues pruned to eliminate duplicates Z: 16 16.548 2.018 0.565 0.442 0.933 0.600 CB 1.539 16 residues pruned to eliminate duplicates Z: 18 24.612 2.339 0.741 0.527 0.882 0.529 CB 1.617 16 residues pruned to eliminate duplicates Z: 6 5.326 1.747 0.676 0.363 0.800 0.400 CA 1.178 Z: 55 67.312 2.357 1.197 0.699 0.889 0.667 CB 1.659 54 residues pruned to eliminate duplicates Z: 18 50.707 2.499 1.150 0.935 1.000 0.824 CB 1.595 18 residues pruned to eliminate duplicates Z: 7 6.578 1.417 0.644 0.810 0.833 0.833 CA 1.056 7 residues pruned to eliminate duplicates Z: 79 79.699 2.533 0.925 0.657 0.936 0.705 CB 1.709 79 residues pruned to eliminate duplicates Z: 17 28.338 2.281 0.903 0.810 0.875 0.375 CB 1.424 17 residues pruned to eliminate duplicates Z: 7 18.639 2.233 0.796 0.847 1.000 0.833 CA 1.408 Z: 20 29.694 2.062 0.791 0.867 1.000 0.737 CB 1.350 20 residues pruned to eliminate duplicates Z: 9 3.077 1.622 0.536 0.402 0.875 0.625 CB 0.554 Z: 23 52.964 2.413 1.051 0.884 1.000 0.818 CB 1.648 30 residues pruned to eliminate duplicates Z: 23 34.795 2.440 1.035 0.534 0.864 0.636 CB 1.674 23 residues pruned to eliminate duplicates Z: 7 9.782 1.917 0.646 0.810 1.000 0.333 CB 0.966 Z: 13 6.326 1.771 0.382 0.409 0.750 0.417 CB 1.094 13 residues pruned to eliminate duplicates Z: 8 16.205 2.197 0.613 0.864 0.857 0.857 CA 1.478 8 residues pruned to eliminate duplicates Z: 6 6.110 1.892 0.613 0.153 1.000 0.200 C 1.371 Z: 27 56.675 2.517 0.880 0.821 0.962 0.692 CB 1.848 27 residues pruned to eliminate duplicates Z: 18 49.314 2.338 1.349 0.892 0.941 0.529 CB 1.662 18 residues pruned to eliminate duplicates Z: 7 21.646 2.145 1.177 0.805 1.000 0.500 CA 1.450 Z: 133 120.206 2.533 1.187 0.651 0.932 0.621 CB 1.761 140 residues pruned to eliminate duplicates Z: 6 2.216 1.258 0.158 0.570 0.800 0.600 CB 0.795 Z: 19 25.060 2.204 0.669 0.772 0.889 0.389 CB 1.420 19 residues pruned to eliminate duplicates Z: 218 175.265 2.571 1.187 0.725 0.963 0.613 CB 1.794 274 residues pruned to eliminate duplicates Z: 71 72.950 2.510 0.920 0.617 0.943 0.600 CB 1.718 71 residues pruned to eliminate duplicates Z: 26 64.254 2.444 1.082 0.855 1.000 0.960 CA 1.864 Z: 24 98.168 2.606 1.678 0.958 1.000 0.522 CA 2.011 26 residues pruned to eliminate duplicates Z: 166 134.174 2.511 1.131 0.698 0.939 0.606 CB 1.733 173 residues pruned to eliminate duplicates 6 1.754 1.372 0.273 0.285 0.600 0.400 O 0.954 ? Z: 25 48.583 2.358 1.117 0.912 0.875 0.500 CB 1.607 25 residues pruned to eliminate duplicates Z: 28 53.252 2.369 0.937 0.905 0.963 0.741 CB 1.651 28 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 44 65.539 2.553 0.901 0.695 0.953 0.651 CB 1.807 44 residues pruned to eliminate duplicates Z: 183 140.429 2.510 1.134 0.676 0.962 0.555 CB 1.719 183 residues pruned to eliminate duplicates Z: 185 148.873 2.516 1.146 0.703 0.973 0.592 CB 1.737 185 residues pruned to eliminate duplicates Z: 171 154.585 2.552 1.201 0.738 0.971 0.647 CB 1.756 171 residues pruned to eliminate duplicates Z: 231 163.626 2.485 1.133 0.711 0.983 0.652 CB 1.711 231 residues pruned to eliminate duplicates Z: 130 129.564 2.542 1.152 0.754 0.977 0.667 CB 1.702 130 residues pruned to eliminate duplicates Z: 185 143.253 2.518 1.175 0.686 0.946 0.636 CB 1.719 185 residues pruned to eliminate duplicates Z: 91 89.861 2.427 1.040 0.714 0.933 0.678 CB 1.689 91 residues pruned to eliminate duplicates Z: 185 140.675 2.514 1.136 0.687 0.940 0.630 CB 1.730 185 residues pruned to eliminate duplicates Z: 49 59.058 2.444 1.043 0.626 0.917 0.646 CB 1.653 49 residues pruned to eliminate duplicates Z: 169 145.526 2.548 1.113 0.724 0.958 0.655 CB 1.779 169 residues pruned to eliminate duplicates Z: 217 157.277 2.516 1.091 0.740 0.949 0.699 CB 1.728 217 residues pruned to eliminate duplicates Z: 177 140.757 2.516 1.149 0.691 0.949 0.602 CB 1.736 177 residues pruned to eliminate duplicates Z: 181 157.231 2.541 1.189 0.706 0.983 0.594 CB 1.777 181 residues pruned to eliminate duplicates Z: 181 140.938 2.524 1.022 0.699 0.972 0.672 CB 1.766 160 residues pruned to eliminate duplicates Z: 7 5.932 1.720 0.813 0.300 1.000 0.833 CB 0.972 7 residues pruned to eliminate duplicates Z: 181 144.303 2.529 1.071 0.693 0.972 0.650 CB 1.770 159 residues pruned to eliminate duplicates Z: 6 10.854 2.112 0.872 0.381 1.000 0.200 CA 1.393 Z: 8 9.806 1.856 0.480 0.523 1.000 0.429 CA 1.319 8 residues pruned to eliminate duplicates Z: 183 139.569 2.531 1.024 0.700 0.956 0.687 CB 1.760 77 residues pruned to eliminate duplicates Z: 6 9.453 2.004 0.486 0.562 1.000 0.200 CB 1.337 Z: 7 10.774 1.827 0.778 0.450 1.000 0.667 CA 1.424 6 residues pruned to eliminate duplicates Z: 8 9.780 2.080 0.898 0.387 0.714 0.571 CA 1.477 8 residues pruned to eliminate duplicates Z: 144 124.940 2.518 1.057 0.692 0.958 0.657 CB 1.767 151 residues pruned to eliminate duplicates Z: 80 75.045 2.464 0.926 0.630 0.937 0.646 CB 1.681 80 residues pruned to eliminate duplicates Z: 105 120.743 2.560 1.052 0.756 0.990 0.788 CB 1.812 105 residues pruned to eliminate duplicates Z: 106 116.056 2.549 1.018 0.756 0.981 0.752 CB 1.787 106 residues pruned to eliminate duplicates Z: 130 130.492 2.542 1.066 0.750 0.984 0.760 CB 1.777 130 residues pruned to eliminate duplicates Z: 182 140.136 2.529 1.004 0.699 0.967 0.729 CB 1.772 182 residues pruned to eliminate duplicates Z: 182 139.713 2.523 0.994 0.686 0.983 0.735 CB 1.769 182 residues pruned to eliminate duplicates Z: 161 128.333 2.511 0.999 0.693 0.969 0.713 CB 1.748 161 residues pruned to eliminate duplicates Z: 184 135.146 2.511 1.024 0.700 0.940 0.628 CB 1.743 184 residues pruned to eliminate duplicates Z: 106 116.269 2.550 1.034 0.747 0.971 0.790 CB 1.806 106 residues pruned to eliminate duplicates Z: 185 140.981 2.522 1.077 0.701 0.946 0.663 CB 1.748 185 residues pruned to eliminate duplicates Z: 185 141.194 2.506 1.086 0.709 0.951 0.668 CB 1.732 65 residues pruned to eliminate duplicates Z: 6 4.736 1.542 0.685 0.417 0.800 0.400 N 1.111 6 residues pruned to eliminate duplicates Z: 230 152.037 2.483 1.039 0.713 0.952 0.729 CB 1.719 183 residues pruned to eliminate duplicates Z: 25 52.936 2.471 1.056 0.744 0.958 0.792 CB 1.784 Z: 21 61.961 2.574 1.156 0.879 1.000 0.800 CA 1.811 46 residues pruned to eliminate duplicates Z: 162 130.295 2.505 1.029 0.688 0.963 0.752 CB 1.766 120 residues pruned to eliminate duplicates Z: 21 57.966 2.591 1.019 0.896 0.950 0.850 CA 1.868 21 residues pruned to eliminate duplicates Z: 184 139.738 2.532 1.010 0.705 0.956 0.672 CB 1.761 184 residues pruned to eliminate duplicates Z: 179 140.136 2.520 0.991 0.702 0.972 0.753 CB 1.792 145 residues pruned to eliminate duplicates Z: 22 57.051 2.529 0.970 0.870 1.000 0.714 CA 1.825 22 residues pruned to eliminate duplicates Z: 181 142.444 2.540 1.056 0.692 0.961 0.717 CB 1.774 181 residues pruned to eliminate duplicates Z: 181 133.357 2.526 0.954 0.691 0.956 0.739 CB 1.769 181 residues pruned to eliminate duplicates Z: 170 150.900 2.573 1.087 0.737 0.970 0.698 CB 1.801 170 residues pruned to eliminate duplicates Z: 90 115.077 2.593 1.085 0.758 1.000 0.787 CB 1.794 90 residues pruned to eliminate duplicates Z: 83 86.067 2.503 0.965 0.653 0.976 0.732 CB 1.719 83 residues pruned to eliminate duplicates Z: 231 151.067 2.468 1.029 0.714 0.961 0.678 CB 1.705 231 residues pruned to eliminate duplicates Z: 181 142.468 2.531 1.078 0.694 0.950 0.656 CB 1.781 181 residues pruned to eliminate duplicates Z: 185 140.517 2.485 1.056 0.684 0.967 0.723 CB 1.770 185 residues pruned to eliminate duplicates Z: 181 141.518 2.532 1.013 0.701 0.967 0.711 CB 1.782 181 residues pruned to eliminate duplicates Z: 185 139.475 2.522 1.048 0.710 0.946 0.707 CB 1.739 185 residues pruned to eliminate duplicates Z: 112 102.091 2.526 1.017 0.633 0.964 0.613 CB 1.741 112 residues pruned to eliminate duplicates Z: 185 139.290 2.510 1.111 0.676 0.951 0.641 CB 1.732 185 residues pruned to eliminate duplicates Z: 185 139.771 2.512 1.077 0.709 0.957 0.658 CB 1.708 185 residues pruned to eliminate duplicates Z: 122 106.848 2.530 1.024 0.656 0.942 0.645 CB 1.741 122 residues pruned to eliminate duplicates Z: 184 139.011 2.518 1.046 0.706 0.934 0.628 CB 1.769 184 residues pruned to eliminate duplicates Z: 178 135.328 2.500 1.044 0.682 0.955 0.695 CB 1.764 178 residues pruned to eliminate duplicates Z: 171 142.066 2.549 1.045 0.733 0.959 0.718 CB 1.768 171 residues pruned to eliminate duplicates Z: 185 143.562 2.526 1.065 0.705 0.962 0.668 CB 1.750 185 residues pruned to eliminate duplicates Z: 184 145.085 2.530 1.078 0.707 0.962 0.661 CB 1.758 184 residues pruned to eliminate duplicates Z: 114 123.144 2.560 1.154 0.723 0.965 0.761 CB 1.781 114 residues pruned to eliminate duplicates Z: 184 143.729 2.532 1.082 0.702 0.956 0.656 CB 1.753 184 residues pruned to eliminate duplicates Z: 180 138.326 2.496 1.078 0.678 0.966 0.665 CB 1.750 180 residues pruned to eliminate duplicates Z: 64 96.637 2.596 1.176 0.728 1.000 0.794 CB 1.756 64 residues pruned to eliminate duplicates Z: 179 134.626 2.536 1.019 0.682 0.955 0.691 CB 1.745 179 residues pruned to eliminate duplicates Z: 180 145.157 2.549 1.047 0.698 0.972 0.698 CB 1.785 180 residues pruned to eliminate duplicates Z: 172 145.263 2.543 1.122 0.739 0.953 0.690 CB 1.744 172 residues pruned to eliminate duplicates Z: 102 105.845 2.517 1.105 0.692 0.960 0.733 CB 1.736 102 residues pruned to eliminate duplicates Z: 106 123.204 2.553 1.079 0.749 0.990 0.695 CB 1.831 106 residues pruned to eliminate duplicates Z: 130 130.134 2.567 1.122 0.731 0.961 0.713 CB 1.779 130 residues pruned to eliminate duplicates Z: 141 131.225 2.538 1.179 0.706 0.950 0.664 CB 1.750 141 residues pruned to eliminate duplicates Z: 89 117.626 2.596 1.159 0.755 1.000 0.761 CB 1.783 89 residues pruned to eliminate duplicates Z: 182 138.450 2.508 1.064 0.697 0.950 0.669 CB 1.748 182 residues pruned to eliminate duplicates Z: 147 131.800 2.525 1.087 0.698 0.993 0.678 CB 1.739 147 residues pruned to eliminate duplicates Z: 180 145.667 2.537 1.102 0.694 0.961 0.654 CB 1.780 180 residues pruned to eliminate duplicates Z: 184 140.625 2.518 1.064 0.692 0.962 0.672 CB 1.746 184 residues pruned to eliminate duplicates Z: 147 128.590 2.512 1.163 0.681 0.945 0.610 CB 1.755 147 residues pruned to eliminate duplicates Z: 92 116.377 2.570 1.198 0.750 0.978 0.692 CB 1.767 92 residues pruned to eliminate duplicates Z: 181 148.798 2.538 1.115 0.699 0.972 0.639 CB 1.772 181 residues pruned to eliminate duplicates Z: 179 142.565 2.524 1.166 0.695 0.938 0.663 CB 1.743 179 residues pruned to eliminate duplicates Z: 161 124.706 2.474 1.109 0.658 0.956 0.663 CB 1.706 161 residues pruned to eliminate duplicates Z: 181 146.173 2.541 1.132 0.695 0.956 0.667 CB 1.762 181 residues pruned to eliminate duplicates Z: 145 135.482 2.541 1.214 0.725 0.951 0.597 CB 1.723 145 residues pruned to eliminate duplicates Z: 181 145.188 2.532 1.098 0.705 0.972 0.617 CB 1.739 181 residues pruned to eliminate duplicates Z: 129 137.100 2.574 1.235 0.741 0.961 0.672 CB 1.766 129 residues pruned to eliminate duplicates Z: 135 137.956 2.538 1.278 0.730 0.963 0.604 CB 1.741 135 residues pruned to eliminate duplicates Z: 165 134.809 2.482 1.172 0.739 0.939 0.598 CB 1.678 166 residues pruned to eliminate duplicates Z: 32 74.741 2.490 1.537 0.936 0.968 0.484 CB 1.528 32 residues pruned to eliminate duplicates Z: 185 137.390 2.515 1.101 0.708 0.929 0.543 CB 1.708 185 residues pruned to eliminate duplicates Z: 171 148.074 2.536 1.161 0.743 0.971 0.582 CB 1.718 171 residues pruned to eliminate duplicates Z: 133 134.656 2.550 1.209 0.725 0.985 0.644 CB 1.724 133 residues pruned to eliminate duplicates Z: 183 150.815 2.536 1.188 0.715 0.956 0.577 CB 1.735 183 residues pruned to eliminate duplicates Z: 157 139.433 2.528 1.152 0.703 0.974 0.628 CB 1.751 157 residues pruned to eliminate duplicates Z: 177 129.256 2.498 1.089 0.645 0.949 0.608 CB 1.719 177 residues pruned to eliminate duplicates Z: 157 127.876 2.510 1.060 0.700 0.955 0.622 CB 1.728 157 residues pruned to eliminate duplicates Z: 147 136.885 2.547 1.134 0.746 0.966 0.603 CB 1.732 147 residues pruned to eliminate duplicates Z: 181 150.941 2.524 1.170 0.700 0.972 0.667 CB 1.760 181 residues pruned to eliminate duplicates Z: 134 138.854 2.559 1.252 0.739 0.962 0.617 CB 1.753 134 residues pruned to eliminate duplicates Z: 186 149.752 2.514 1.172 0.694 0.973 0.611 CB 1.736 186 residues pruned to eliminate duplicates Z: 119 123.794 2.519 1.220 0.705 0.975 0.627 CB 1.736 119 residues pruned to eliminate duplicates Z: 129 140.430 2.572 1.258 0.745 0.992 0.594 CB 1.731 129 residues pruned to eliminate duplicates Z: 180 140.634 2.521 1.142 0.681 0.955 0.570 CB 1.725 180 residues pruned to eliminate duplicates Z: 185 147.507 2.528 1.175 0.704 0.951 0.560 CB 1.727 185 residues pruned to eliminate duplicates Z: 184 141.857 2.519 1.171 0.698 0.934 0.579 CB 1.713 184 residues pruned to eliminate duplicates Z: 45 78.100 2.429 1.145 0.742 1.000 0.705 CB 1.820 45 residues pruned to eliminate duplicates Z: 185 147.319 2.508 1.179 0.705 0.957 0.571 CB 1.724 185 residues pruned to eliminate duplicates Z: 64 73.190 2.363 1.203 0.650 0.937 0.540 CB 1.645 64 residues pruned to eliminate duplicates Z: 184 148.367 2.520 1.190 0.707 0.945 0.541 CB 1.741 184 residues pruned to eliminate duplicates Z: 160 137.601 2.530 1.188 0.682 0.956 0.553 CB 1.745 160 residues pruned to eliminate duplicates Z: 184 143.000 2.521 1.154 0.704 0.940 0.568 CB 1.721 184 residues pruned to eliminate duplicates Z: 180 145.063 2.530 1.151 0.703 0.955 0.637 CB 1.733 180 residues pruned to eliminate duplicates Z: 182 143.213 2.521 1.139 0.694 0.950 0.624 CB 1.740 182 residues pruned to eliminate duplicates Z: 144 125.045 2.511 1.185 0.695 0.930 0.566 CB 1.715 144 residues pruned to eliminate duplicates Z: 181 149.008 2.501 1.188 0.693 0.967 0.583 CB 1.760 181 residues pruned to eliminate duplicates Z: 184 148.215 2.507 1.177 0.711 0.967 0.596 CB 1.714 184 residues pruned to eliminate duplicates Z: 117 124.622 2.542 1.168 0.764 0.966 0.560 CB 1.721 117 residues pruned to eliminate duplicates Z: 181 152.154 2.543 1.175 0.707 0.967 0.667 CB 1.758 181 residues pruned to eliminate duplicates Z: 181 146.722 2.521 1.166 0.695 0.972 0.617 CB 1.725 38 residues pruned to eliminate duplicates Z: 27 56.887 2.428 1.117 0.915 0.923 0.500 CB 1.662 27 residues pruned to eliminate duplicates Z: 181 156.211 2.537 1.186 0.708 0.978 0.639 CB 1.778 181 residues pruned to eliminate duplicates Z: 182 143.161 2.510 1.142 0.702 0.956 0.641 CB 1.723 182 residues pruned to eliminate duplicates Z: 130 136.855 2.556 1.284 0.739 0.961 0.636 CB 1.733 130 residues pruned to eliminate duplicates Z: 135 141.233 2.555 1.274 0.730 0.978 0.642 CB 1.746 135 residues pruned to eliminate duplicates Z: 186 142.800 2.515 1.143 0.688 0.957 0.638 CB 1.714 186 residues pruned to eliminate duplicates Z: 182 154.358 2.527 1.201 0.703 0.978 0.674 CB 1.754 182 residues pruned to eliminate duplicates Z: 172 144.216 2.539 1.157 0.733 0.947 0.579 CB 1.724 172 residues pruned to eliminate duplicates Z: 180 149.186 2.529 1.202 0.693 0.966 0.598 CB 1.737 180 residues pruned to eliminate duplicates Z: 167 144.416 2.560 1.188 0.725 0.934 0.572 CB 1.749 167 residues pruned to eliminate duplicates Z: 183 147.424 2.527 1.123 0.719 0.962 0.593 CB 1.738 183 residues pruned to eliminate duplicates Z: 181 147.457 2.540 1.174 0.702 0.950 0.617 CB 1.744 181 residues pruned to eliminate duplicates Z: 181 149.050 2.546 1.117 0.707 0.967 0.633 CB 1.768 181 residues pruned to eliminate duplicates Z: 231 153.445 2.466 1.116 0.712 0.952 0.561 CB 1.679 231 residues pruned to eliminate duplicates Z: 184 145.850 2.528 1.168 0.709 0.945 0.601 CB 1.722 184 residues pruned to eliminate duplicates Z: 179 143.107 2.531 1.106 0.698 0.961 0.646 CB 1.748 179 residues pruned to eliminate duplicates Z: 181 150.571 2.535 1.179 0.705 0.961 0.606 CB 1.754 181 residues pruned to eliminate duplicates Z: 185 148.452 2.526 1.160 0.709 0.967 0.620 CB 1.715 185 residues pruned to eliminate duplicates Z: 182 150.653 2.535 1.144 0.700 0.972 0.630 CB 1.766 182 residues pruned to eliminate duplicates Z: 172 151.565 2.568 1.185 0.728 0.965 0.591 CB 1.743 172 residues pruned to eliminate duplicates Z: 181 144.941 2.514 1.168 0.686 0.961 0.633 CB 1.740 181 residues pruned to eliminate duplicates Z: 20 51.177 2.363 0.959 0.919 1.000 0.737 CB 1.786 Z: 19 57.567 2.482 1.116 0.910 1.000 0.722 CB 1.833 39 residues pruned to eliminate duplicates Z: 182 143.206 2.507 1.138 0.687 0.956 0.575 CB 1.750 182 residues pruned to eliminate duplicates Z: 184 139.083 2.500 1.119 0.691 0.951 0.541 CB 1.714 184 residues pruned to eliminate duplicates Z: 136 128.913 2.528 1.179 0.702 0.963 0.600 CB 1.740 136 residues pruned to eliminate duplicates Z: 182 143.096 2.520 1.182 0.690 0.939 0.591 CB 1.730 182 residues pruned to eliminate duplicates Z: 182 138.177 2.516 1.127 0.688 0.939 0.552 CB 1.720 182 residues pruned to eliminate duplicates Z: 161 119.275 2.488 1.093 0.668 0.919 0.562 CB 1.686 161 residues pruned to eliminate duplicates Z: 45 54.623 2.467 0.877 0.680 0.886 0.477 CB 1.700 45 residues pruned to eliminate duplicates Z: 18 28.920 2.500 0.624 0.704 0.824 0.647 CB 1.742 18 residues pruned to eliminate duplicates Z: 46 60.315 2.494 1.069 0.665 0.911 0.467 CB 1.642 46 residues pruned to eliminate duplicates Z: 129 130.650 2.546 1.224 0.748 0.953 0.602 CB 1.714 129 residues pruned to eliminate duplicates Z: 180 139.537 2.510 1.161 0.666 0.955 0.564 CB 1.726 180 residues pruned to eliminate duplicates Z: 45 62.354 2.528 0.963 0.709 0.909 0.568 CB 1.724 45 residues pruned to eliminate duplicates Z: 186 151.252 2.522 1.168 0.704 0.968 0.622 CB 1.746 186 residues pruned to eliminate duplicates Z: 182 145.427 2.526 1.128 0.706 0.950 0.608 CB 1.754 182 residues pruned to eliminate duplicates Z: 44 63.360 2.551 1.012 0.672 0.907 0.674 CB 1.770 44 residues pruned to eliminate duplicates Z: 172 149.782 2.565 1.147 0.724 0.977 0.614 CB 1.740 172 residues pruned to eliminate duplicates Z: 45 64.325 2.509 1.026 0.657 0.932 0.568 CB 1.769 42 residues pruned to eliminate duplicates Z: 28 59.511 2.462 1.021 0.843 0.926 0.667 CA 1.851 28 residues pruned to eliminate duplicates Z: 173 151.095 2.537 1.204 0.717 0.965 0.587 CB 1.754 173 residues pruned to eliminate duplicates Z: 43 63.404 2.551 1.017 0.650 0.929 0.524 CB 1.780 43 residues pruned to eliminate duplicates Z: 45 62.122 2.515 1.019 0.681 0.886 0.636 CB 1.762 45 residues pruned to eliminate duplicates Z: 179 135.673 2.513 1.149 0.653 0.944 0.590 CB 1.731 179 residues pruned to eliminate duplicates Z: 45 65.224 2.500 1.049 0.701 0.932 0.659 CB 1.716 45 residues pruned to eliminate duplicates Z: 170 146.545 2.555 1.147 0.728 0.970 0.568 CB 1.725 170 residues pruned to eliminate duplicates Z: 45 68.836 2.529 1.066 0.683 0.955 0.636 CB 1.759 45 residues pruned to eliminate duplicates Z: 28 63.733 2.465 1.068 0.857 1.000 0.852 CB 1.773 28 residues pruned to eliminate duplicates Z: 184 138.806 2.533 1.096 0.685 0.940 0.612 CB 1.735 184 residues pruned to eliminate duplicates Z: 166 138.324 2.519 1.129 0.707 0.964 0.594 CB 1.726 166 residues pruned to eliminate duplicates Z: 208 154.853 2.552 1.113 0.693 0.947 0.589 CB 1.767 208 residues pruned to eliminate duplicates Z: 183 153.078 2.562 1.145 0.698 0.973 0.577 CB 1.772 183 residues pruned to eliminate duplicates Z: 181 152.109 2.572 1.178 0.687 0.956 0.589 CB 1.784 181 residues pruned to eliminate duplicates Z: 184 149.592 2.569 1.166 0.682 0.945 0.557 CB 1.778 184 residues pruned to eliminate duplicates Z: 146 134.528 2.562 1.236 0.700 0.938 0.538 CB 1.734 146 residues pruned to eliminate duplicates Z: 147 132.358 2.560 1.117 0.698 0.979 0.582 CB 1.722 147 residues pruned to eliminate duplicates Z: 184 145.164 2.568 1.116 0.693 0.951 0.601 CB 1.741 184 residues pruned to eliminate duplicates Z: 91 117.717 2.579 1.280 0.765 0.978 0.533 CB 1.706 91 residues pruned to eliminate duplicates Z: 170 158.488 2.610 1.190 0.735 0.970 0.657 CB 1.780 170 residues pruned to eliminate duplicates Z: 75 72.574 2.509 0.943 0.653 0.892 0.500 CB 1.683 75 residues pruned to eliminate duplicates Z: 183 153.256 2.572 1.124 0.707 0.967 0.626 CB 1.782 183 residues pruned to eliminate duplicates Z: 182 151.953 2.578 1.132 0.693 0.967 0.630 CB 1.783 182 residues pruned to eliminate duplicates Z: 182 142.614 2.570 1.161 0.676 0.934 0.525 CB 1.739 182 residues pruned to eliminate duplicates Z: 143 133.653 2.565 1.170 0.712 0.965 0.592 CB 1.723 143 residues pruned to eliminate duplicates Z: 183 153.168 2.570 1.129 0.702 0.973 0.643 CB 1.775 183 residues pruned to eliminate duplicates Z: 184 138.886 2.559 1.106 0.684 0.923 0.557 CB 1.742 184 residues pruned to eliminate duplicates Z: 171 148.865 2.591 1.131 0.712 0.953 0.582 CB 1.790 171 residues pruned to eliminate duplicates Z: 20 31.310 2.410 0.759 0.627 0.789 0.474 CB 1.904 20 residues pruned to eliminate duplicates Z: 182 150.659 2.589 1.165 0.700 0.950 0.519 CB 1.751 182 residues pruned to eliminate duplicates Z: 130 134.106 2.575 1.227 0.739 0.961 0.481 CB 1.729 130 residues pruned to eliminate duplicates Z: 45 66.987 2.570 1.028 0.674 0.909 0.568 CB 1.816 47 residues pruned to eliminate duplicates Z: 28 51.651 2.408 0.862 0.854 0.889 0.481 CB 1.842 28 residues pruned to eliminate duplicates Z: 230 172.109 2.570 1.143 0.719 0.961 0.607 CB 1.764 230 residues pruned to eliminate duplicates Z: 18 30.546 2.307 0.806 0.643 0.824 0.471 CA 1.889 18 residues pruned to eliminate duplicates Z: 186 154.227 2.564 1.154 0.699 0.962 0.546 CB 1.780 186 residues pruned to eliminate duplicates Z: 165 145.185 2.575 1.212 0.692 0.945 0.561 CB 1.766 165 residues pruned to eliminate duplicates Z: 71 89.546 2.564 1.145 0.653 0.957 0.514 CB 1.764 71 residues pruned to eliminate duplicates Z: 183 155.224 2.581 1.221 0.690 0.956 0.500 CB 1.765 183 residues pruned to eliminate duplicates Z: 46 69.418 2.536 1.014 0.668 0.933 0.556 CB 1.858 46 residues pruned to eliminate duplicates Z: 184 154.026 2.578 1.186 0.692 0.962 0.536 CB 1.762 184 residues pruned to eliminate duplicates Z: 44 64.133 2.553 0.930 0.647 0.907 0.558 CB 1.908 44 residues pruned to eliminate duplicates Z: 184 157.664 2.587 1.153 0.694 0.978 0.639 CB 1.791 184 residues pruned to eliminate duplicates Z: 186 152.971 2.570 1.150 0.682 0.973 0.578 CB 1.769 186 residues pruned to eliminate duplicates Z: 171 154.849 2.596 1.188 0.722 0.965 0.547 CB 1.774 171 residues pruned to eliminate duplicates Z: 229 168.134 2.549 1.156 0.707 0.947 0.610 CB 1.772 229 residues pruned to eliminate duplicates Z: 45 69.870 2.585 0.992 0.665 0.955 0.636 CB 1.840 45 residues pruned to eliminate duplicates Z: 44 69.650 2.575 0.955 0.655 0.930 0.442 CB 1.963 44 residues pruned to eliminate duplicates Z: 46 70.073 2.572 1.018 0.638 0.933 0.556 CB 1.895 46 residues pruned to eliminate duplicates Z: 184 155.402 2.573 1.185 0.699 0.962 0.590 CB 1.772 184 residues pruned to eliminate duplicates Z: 183 154.224 2.592 1.190 0.696 0.940 0.560 CB 1.793 183 residues pruned to eliminate duplicates Z: 232 169.552 2.539 1.132 0.700 0.965 0.615 CB 1.779 232 residues pruned to eliminate duplicates Z: 185 159.914 2.574 1.192 0.696 0.967 0.587 CB 1.807 185 residues pruned to eliminate duplicates Z: 69 90.029 2.609 0.960 0.665 0.971 0.588 CB 1.887 69 residues pruned to eliminate duplicates Z: 71 83.787 2.564 0.962 0.652 0.943 0.657 CB 1.833 44 residues pruned to eliminate duplicates Z: 15 61.040 2.685 1.356 0.816 1.000 0.571 CA 1.959 15 residues pruned to eliminate duplicates Z: 21 29.997 2.304 0.956 0.415 0.950 0.550 CB 1.712 21 residues pruned to eliminate duplicates Z: 172 162.653 2.596 1.270 0.720 0.965 0.585 CB 1.793 172 residues pruned to eliminate duplicates Z: 184 163.200 2.579 1.193 0.704 0.989 0.628 CB 1.791 184 residues pruned to eliminate duplicates Z: 185 148.618 2.564 1.169 0.677 0.951 0.522 CB 1.760 185 residues pruned to eliminate duplicates Z: 229 174.653 2.562 1.147 0.710 0.974 0.596 CB 1.785 229 residues pruned to eliminate duplicates Z: 230 174.028 2.561 1.165 0.709 0.965 0.629 CB 1.778 230 residues pruned to eliminate duplicates Z: 183 161.132 2.592 1.158 0.706 0.989 0.604 CB 1.790 183 residues pruned to eliminate duplicates Z: 81 97.831 2.560 1.029 0.730 0.925 0.650 CB 1.850 81 residues pruned to eliminate duplicates Z: 45 67.753 2.584 0.876 0.676 0.932 0.659 CB 1.923 45 residues pruned to eliminate duplicates Z: 23 33.266 2.507 0.778 0.450 1.000 0.455 CB 1.676 23 residues pruned to eliminate duplicates Z: 184 159.767 2.583 1.144 0.709 0.978 0.590 CB 1.802 184 residues pruned to eliminate duplicates Z: 185 150.725 2.555 1.137 0.699 0.957 0.598 CB 1.776 185 residues pruned to eliminate duplicates Z: 183 143.511 2.565 1.008 0.691 0.962 0.670 CB 1.804 183 residues pruned to eliminate duplicates Z: 182 140.607 2.576 0.975 0.680 0.961 0.657 CB 1.812 182 residues pruned to eliminate duplicates Z: 182 147.721 2.584 1.124 0.683 0.939 0.624 CB 1.800 182 residues pruned to eliminate duplicates Z: 78 77.474 2.543 0.913 0.634 0.948 0.623 CB 1.688 78 residues pruned to eliminate duplicates Z: 182 141.703 2.568 0.984 0.693 0.961 0.696 CB 1.803 182 residues pruned to eliminate duplicates Z: 184 136.759 2.561 0.972 0.712 0.934 0.639 CB 1.768 184 residues pruned to eliminate duplicates Z: 187 133.072 2.535 0.973 0.680 0.941 0.667 CB 1.757 187 residues pruned to eliminate duplicates Z: 181 136.549 2.561 0.960 0.695 0.944 0.672 CB 1.796 181 residues pruned to eliminate duplicates Z: 181 148.836 2.588 1.082 0.687 0.956 0.622 CB 1.815 181 residues pruned to eliminate duplicates Z: 181 137.671 2.581 0.950 0.689 0.950 0.633 CB 1.805 181 residues pruned to eliminate duplicates Z: 182 140.947 2.572 0.983 0.693 0.950 0.674 CB 1.812 182 residues pruned to eliminate duplicates Z: 183 140.149 2.570 0.996 0.683 0.956 0.643 CB 1.791 183 residues pruned to eliminate duplicates Z: 72 81.100 2.588 0.935 0.652 0.958 0.634 CB 1.742 72 residues pruned to eliminate duplicates Z: 183 143.776 2.563 1.046 0.675 0.967 0.654 CB 1.789 183 residues pruned to eliminate duplicates Z: 183 137.782 2.554 0.962 0.687 0.973 0.632 CB 1.765 183 residues pruned to eliminate duplicates Z: 183 146.778 2.573 1.048 0.685 0.967 0.648 CB 1.801 183 residues pruned to eliminate duplicates Z: 181 146.317 2.564 1.028 0.684 0.978 0.639 CB 1.811 181 residues pruned to eliminate duplicates Z: 174 146.016 2.579 1.085 0.671 0.965 0.665 CB 1.826 174 residues pruned to eliminate duplicates Z: 163 137.845 2.579 1.049 0.670 0.969 0.611 CB 1.807 140 residues pruned to eliminate duplicates Z: 8 11.474 1.896 0.860 0.535 0.857 0.714 CB 1.386 Z: 10 16.927 2.100 0.719 0.576 1.000 0.778 CA 1.452 18 residues pruned to eliminate duplicates Z: 181 150.627 2.580 1.070 0.690 0.978 0.617 CB 1.807 181 residues pruned to eliminate duplicates Z: 181 144.950 2.574 1.083 0.686 0.956 0.656 CB 1.779 171 residues pruned to eliminate duplicates Z: 8 3.628 1.690 0.203 0.329 0.857 0.429 CA 0.949 Z: 6 6.740 1.972 0.518 0.352 1.000 0.600 CB 1.182 6 residues pruned to eliminate duplicates Z: 9 9.835 1.779 0.559 0.527 1.000 0.375 CA 1.221 17 residues pruned to eliminate duplicates Z: 79 88.517 2.553 1.010 0.664 0.974 0.679 CB 1.722 79 residues pruned to eliminate duplicates Z: 182 128.553 2.527 0.960 0.654 0.950 0.674 CB 1.759 182 residues pruned to eliminate duplicates Z: 182 149.599 2.581 1.117 0.683 0.961 0.597 CB 1.789 182 residues pruned to eliminate duplicates Z: 142 123.801 2.536 1.018 0.704 0.972 0.702 CB 1.742 142 residues pruned to eliminate duplicates Z: 182 154.382 2.586 1.108 0.686 0.972 0.597 CB 1.825 182 residues pruned to eliminate duplicates Z: 183 144.815 2.577 1.032 0.695 0.951 0.681 CB 1.805 183 residues pruned to eliminate duplicates Z: 140 130.027 2.580 1.085 0.700 0.957 0.734 CB 1.786 140 residues pruned to eliminate duplicates Z: 69 94.576 2.605 1.053 0.732 0.985 0.765 CB 1.767 69 residues pruned to eliminate duplicates Z: 162 122.475 2.536 0.927 0.657 0.950 0.708 CB 1.796 162 residues pruned to eliminate duplicates Z: 79 84.432 2.533 0.951 0.657 0.962 0.679 CB 1.738 79 residues pruned to eliminate duplicates Z: 182 144.686 2.583 1.022 0.689 0.961 0.657 CB 1.801 182 residues pruned to eliminate duplicates Z: 182 157.146 2.572 1.149 0.689 0.972 0.608 CB 1.828 182 residues pruned to eliminate duplicates Z: 113 101.021 2.560 0.963 0.628 0.920 0.589 CB 1.831 113 residues pruned to eliminate duplicates Z: 124 110.392 2.561 0.954 0.652 0.943 0.561 CB 1.830 124 residues pruned to eliminate duplicates Z: 182 143.781 2.583 1.003 0.687 0.956 0.696 CB 1.821 182 residues pruned to eliminate duplicates Z: 183 154.359 2.584 1.121 0.678 0.973 0.560 CB 1.822 183 residues pruned to eliminate duplicates Z: 181 142.384 2.574 1.015 0.685 0.956 0.672 CB 1.807 181 residues pruned to eliminate duplicates Z: 79 88.316 2.580 0.946 0.660 0.974 0.654 CB 1.762 79 residues pruned to eliminate duplicates Z: 183 142.045 2.557 1.041 0.677 0.945 0.637 CB 1.814 183 residues pruned to eliminate duplicates Z: 80 88.480 2.561 1.040 0.654 0.949 0.709 CB 1.739 80 residues pruned to eliminate duplicates Z: 57 83.483 2.632 1.027 0.688 0.964 0.714 CB 1.825 57 residues pruned to eliminate duplicates Z: 115 104.107 2.544 0.935 0.635 0.965 0.596 CB 1.810 115 residues pruned to eliminate duplicates Z: 182 145.244 2.562 1.065 0.678 0.967 0.569 CB 1.791 182 residues pruned to eliminate duplicates Z: 70 85.662 2.568 1.057 0.619 0.986 0.667 CB 1.770 70 residues pruned to eliminate duplicates Z: 99 111.725 2.603 1.049 0.703 0.980 0.755 CB 1.796 99 residues pruned to eliminate duplicates Z: 185 144.759 2.570 1.069 0.696 0.957 0.647 CB 1.755 185 residues pruned to eliminate duplicates Z: 61 87.212 2.618 1.005 0.702 0.983 0.667 CB 1.816 61 residues pruned to eliminate duplicates Z: 180 143.876 2.563 1.046 0.682 0.966 0.559 CB 1.795 180 residues pruned to eliminate duplicates Z: 134 122.563 2.553 0.991 0.717 0.985 0.722 CB 1.744 134 residues pruned to eliminate duplicates Z: 68 77.702 2.542 1.017 0.602 0.955 0.642 CB 1.760 68 residues pruned to eliminate duplicates Z: 79 83.633 2.558 0.970 0.655 0.936 0.641 CB 1.739 79 residues pruned to eliminate duplicates Z: 145 126.789 2.570 0.971 0.675 0.965 0.722 CB 1.839 145 residues pruned to eliminate duplicates Z: 57 87.397 2.605 1.085 0.691 1.000 0.696 CB 1.805 57 residues pruned to eliminate duplicates Z: 118 115.963 2.565 0.987 0.704 0.983 0.701 CB 1.777 118 residues pruned to eliminate duplicates Z: 230 163.249 2.551 1.082 0.708 0.948 0.677 CB 1.774 230 residues pruned to eliminate duplicates Z: 121 114.072 2.573 1.005 0.664 0.967 0.650 CB 1.794 121 residues pruned to eliminate duplicates Z: 173 136.137 2.580 0.979 0.671 0.959 0.698 CB 1.810 173 residues pruned to eliminate duplicates Z: 182 154.544 2.586 1.094 0.683 0.989 0.613 CB 1.814 183 residues pruned to eliminate duplicates Z: 31 59.437 2.467 0.927 0.912 0.967 0.700 CB 1.673 31 residues pruned to eliminate duplicates Z: 145 130.947 2.581 1.049 0.699 0.972 0.653 CB 1.770 145 residues pruned to eliminate duplicates Z: 182 152.292 2.583 1.071 0.700 0.972 0.669 CB 1.813 182 residues pruned to eliminate duplicates Z: 80 89.125 2.547 1.113 0.642 0.949 0.582 CB 1.719 80 residues pruned to eliminate duplicates Z: 165 130.178 2.538 0.998 0.677 0.939 0.628 CB 1.813 42 residues pruned to eliminate duplicates Z: 30 67.557 2.552 1.074 0.931 1.000 0.759 CB 1.656 30 residues pruned to eliminate duplicates Z: 181 148.115 2.574 1.079 0.700 0.961 0.644 CB 1.789 181 residues pruned to eliminate duplicates Z: 182 151.155 2.576 1.123 0.687 0.967 0.646 CB 1.790 182 residues pruned to eliminate duplicates Z: 183 154.648 2.567 1.151 0.686 0.967 0.621 CB 1.810 183 residues pruned to eliminate duplicates Z: 181 152.155 2.561 1.092 0.700 0.978 0.694 CB 1.804 181 residues pruned to eliminate duplicates Z: 183 146.972 2.569 1.129 0.694 0.945 0.610 CB 1.766 162 residues pruned to eliminate duplicates Z: 32 64.310 2.456 1.250 0.900 0.935 0.581 CB 1.596 32 residues pruned to eliminate duplicates Z: 183 146.380 2.564 1.149 0.684 0.934 0.593 CB 1.780 183 residues pruned to eliminate duplicates Z: 182 145.721 2.567 1.083 0.690 0.961 0.619 CB 1.771 182 residues pruned to eliminate duplicates Z: 169 143.272 2.590 1.115 0.686 0.958 0.613 CB 1.776 169 residues pruned to eliminate duplicates Z: 159 136.352 2.539 1.160 0.695 0.956 0.620 CB 1.731 159 residues pruned to eliminate duplicates Z: 148 129.417 2.515 1.132 0.701 0.952 0.578 CB 1.740 148 residues pruned to eliminate duplicates Z: 155 133.438 2.556 1.101 0.708 0.948 0.591 CB 1.748 155 residues pruned to eliminate duplicates Z: 184 144.131 2.555 1.048 0.685 0.973 0.568 CB 1.766 184 residues pruned to eliminate duplicates Z: 132 136.277 2.596 1.181 0.731 0.969 0.611 CB 1.763 132 residues pruned to eliminate duplicates Z: 141 138.075 2.585 1.224 0.700 0.964 0.607 CB 1.755 141 residues pruned to eliminate duplicates Z: 186 154.354 2.576 1.225 0.689 0.941 0.632 CB 1.770 186 residues pruned to eliminate duplicates Z: 182 145.340 2.563 1.096 0.691 0.945 0.613 CB 1.787 182 residues pruned to eliminate duplicates Z: 76 94.209 2.576 1.187 0.753 0.907 0.640 CB 1.699 76 residues pruned to eliminate duplicates Z: 230 162.935 2.559 1.082 0.712 0.943 0.624 CB 1.769 230 residues pruned to eliminate duplicates Z: 130 137.492 2.576 1.270 0.736 0.961 0.636 CB 1.743 130 residues pruned to eliminate duplicates Z: 184 147.978 2.549 1.117 0.684 0.973 0.557 CB 1.760 184 residues pruned to eliminate duplicates Z: 142 136.148 2.563 1.238 0.703 0.972 0.617 CB 1.710 142 residues pruned to eliminate duplicates Z: 183 154.941 2.573 1.133 0.691 0.973 0.610 CB 1.808 183 residues pruned to eliminate duplicates Z: 144 125.951 2.561 1.109 0.692 0.951 0.608 CB 1.720 144 residues pruned to eliminate duplicates Z: 144 130.240 2.535 1.212 0.698 0.951 0.587 CB 1.704 144 residues pruned to eliminate duplicates Z: 170 151.410 2.606 1.155 0.736 0.941 0.621 CB 1.783 170 residues pruned to eliminate duplicates Z: 184 147.393 2.574 1.173 0.686 0.929 0.601 CB 1.767 184 residues pruned to eliminate duplicates Z: 20 54.633 2.452 1.170 0.934 1.000 0.684 CB 1.643 20 residues pruned to eliminate duplicates Z: 171 137.376 2.541 1.149 0.657 0.947 0.606 CB 1.762 171 residues pruned to eliminate duplicates Z: 182 147.936 2.559 1.179 0.684 0.945 0.541 CB 1.763 182 residues pruned to eliminate duplicates Z: 129 141.326 2.598 1.250 0.739 0.969 0.617 CB 1.780 129 residues pruned to eliminate duplicates Z: 182 150.058 2.577 1.129 0.695 0.950 0.569 CB 1.791 182 residues pruned to eliminate duplicates Z: 119 120.716 2.559 1.197 0.698 0.949 0.602 CB 1.738 119 residues pruned to eliminate duplicates Z: 181 137.659 2.544 1.085 0.665 0.950 0.594 CB 1.748 181 residues pruned to eliminate duplicates Z: 182 145.173 2.569 1.172 0.683 0.928 0.552 CB 1.762 182 residues pruned to eliminate duplicates Z: 182 151.741 2.557 1.185 0.696 0.956 0.575 CB 1.766 182 residues pruned to eliminate duplicates Z: 106 122.013 2.578 1.245 0.745 0.952 0.600 CB 1.735 106 residues pruned to eliminate duplicates Z: 58 80.907 2.498 1.285 0.726 0.912 0.596 CB 1.679 58 residues pruned to eliminate duplicates Z: 119 125.657 2.554 1.251 0.705 0.958 0.585 CB 1.743 119 residues pruned to eliminate duplicates Z: 179 146.936 2.558 1.121 0.694 0.949 0.534 CB 1.790 179 residues pruned to eliminate duplicates Z: 183 145.730 2.553 1.157 0.676 0.951 0.555 CB 1.755 183 residues pruned to eliminate duplicates Z: 131 141.653 2.592 1.269 0.743 0.977 0.608 CB 1.740 131 residues pruned to eliminate duplicates Z: 185 138.668 2.563 1.091 0.677 0.929 0.592 CB 1.744 185 residues pruned to eliminate duplicates Z: 59 86.350 2.535 1.217 0.698 0.948 0.586 CB 1.776 59 residues pruned to eliminate duplicates Z: 183 148.042 2.562 1.159 0.697 0.940 0.566 CB 1.764 183 residues pruned to eliminate duplicates Z: 183 147.750 2.551 1.168 0.681 0.956 0.516 CB 1.754 183 residues pruned to eliminate duplicates Z: 144 137.688 2.575 1.212 0.708 0.965 0.629 CB 1.734 144 residues pruned to eliminate duplicates Z: 181 155.404 2.580 1.185 0.698 0.961 0.561 CB 1.785 181 residues pruned to eliminate duplicates Z: 182 154.138 2.579 1.230 0.690 0.934 0.586 CB 1.793 182 residues pruned to eliminate duplicates Z: 128 127.261 2.572 1.304 0.692 0.929 0.614 CB 1.720 128 residues pruned to eliminate duplicates Z: 144 137.686 2.577 1.239 0.697 0.958 0.524 CB 1.740 144 residues pruned to eliminate duplicates Z: 129 136.513 2.583 1.248 0.737 0.969 0.562 CB 1.734 25 residues pruned to eliminate duplicates Z: 6 4.866 1.749 0.710 0.744 0.600 0.400 CB 0.975 Z: 20 28.884 2.235 0.680 0.738 0.947 0.579 CB 1.504 Z: 19 44.536 2.307 1.121 0.869 1.000 0.556 CB 1.567 19 residues pruned to eliminate duplicates Z: 18 35.700 2.271 1.005 0.854 0.941 0.824 CB 1.493 18 residues pruned to eliminate duplicates Z: 48 77.654 2.423 1.214 0.799 0.915 0.638 CB 1.777 45 residues pruned to eliminate duplicates Z: 18 38.365 2.345 0.977 0.855 1.000 0.588 CB 1.482 22 residues pruned to eliminate duplicates Z: 18 35.304 2.356 0.950 0.819 0.941 0.647 CB 1.502 18 residues pruned to eliminate duplicates Z: 48 79.379 2.463 1.231 0.769 0.979 0.745 CB 1.697 48 residues pruned to eliminate duplicates Z: 117 109.059 2.504 1.104 0.673 0.940 0.629 CB 1.744 123 residues pruned to eliminate duplicates Z: 48 72.896 2.416 1.100 0.782 0.936 0.660 CB 1.745 48 residues pruned to eliminate duplicates Z: 24 32.025 2.325 1.089 0.640 0.913 0.478 CB 1.322 20 residues pruned to eliminate duplicates Z: 19 38.529 2.258 0.916 0.882 1.000 0.722 CB 1.519 22 residues pruned to eliminate duplicates Z: 18 40.108 2.302 1.180 0.826 0.941 0.471 CB 1.552 18 residues pruned to eliminate duplicates Z: 110 116.280 2.528 1.008 0.750 0.972 0.651 CB 1.805 110 residues pruned to eliminate duplicates Z: 48 76.901 2.416 1.104 0.782 0.979 0.702 CB 1.759 48 residues pruned to eliminate duplicates Z: 49 79.315 2.408 1.214 0.769 0.979 0.729 CB 1.729 49 residues pruned to eliminate duplicates Z: 95 99.969 2.487 1.048 0.697 0.936 0.564 CB 1.806 95 residues pruned to eliminate duplicates Z: 47 81.604 2.478 1.154 0.775 0.978 0.652 CB 1.807 47 residues pruned to eliminate duplicates Z: 219 172.305 2.574 1.163 0.709 0.972 0.601 CB 1.782 219 residues pruned to eliminate duplicates Z: 51 75.615 2.401 1.106 0.773 0.980 0.700 CB 1.696 51 residues pruned to eliminate duplicates Z: 50 77.473 2.379 1.176 0.763 0.959 0.694 CB 1.765 50 residues pruned to eliminate duplicates Z: 49 81.635 2.441 1.335 0.780 0.958 0.688 CB 1.685 47 residues pruned to eliminate duplicates Z: 26 66.854 2.510 1.120 0.932 0.960 0.800 CA 1.827 26 residues pruned to eliminate duplicates Z: 228 166.732 2.549 1.192 0.684 0.952 0.573 CB 1.758 230 residues pruned to eliminate duplicates Z: 26 74.532 2.556 1.179 0.936 0.960 0.640 CA 1.941 26 residues pruned to eliminate duplicates Z: 228 177.356 2.580 1.127 0.720 0.982 0.604 CB 1.790 215 residues pruned to eliminate duplicates Z: 25 86.698 2.604 1.415 0.950 1.000 0.500 CB 1.940 25 residues pruned to eliminate duplicates Z: 47 83.810 2.482 1.237 0.796 0.978 0.696 CB 1.755 47 residues pruned to eliminate duplicates Z: 231 179.795 2.561 1.229 0.717 0.965 0.574 CB 1.769 231 residues pruned to eliminate duplicates Z: 25 77.532 2.570 1.394 0.932 0.958 0.667 CA 1.876 25 residues pruned to eliminate duplicates Z: 47 86.698 2.480 1.339 0.784 0.978 0.652 CB 1.755 47 residues pruned to eliminate duplicates Z: 47 80.993 2.451 1.283 0.794 0.957 0.457 CB 1.724 47 residues pruned to eliminate duplicates Z: 228 168.982 2.545 1.190 0.703 0.956 0.559 CB 1.750 228 residues pruned to eliminate duplicates Z: 48 76.700 2.465 1.287 0.767 0.957 0.638 CB 1.636 48 residues pruned to eliminate duplicates Z: 215 184.025 2.572 1.279 0.726 0.981 0.528 CB 1.785 215 residues pruned to eliminate duplicates Z: 228 170.940 2.532 1.235 0.704 0.956 0.568 CB 1.742 228 residues pruned to eliminate duplicates Z: 47 81.352 2.477 1.420 0.778 0.978 0.522 CB 1.600 47 residues pruned to eliminate duplicates Z: 81 106.701 2.535 1.213 0.736 0.975 0.575 CB 1.764 81 residues pruned to eliminate duplicates Z: 93 111.108 2.496 1.216 0.710 0.978 0.576 CB 1.768 93 residues pruned to eliminate duplicates Z: 47 89.866 2.434 1.393 0.819 1.000 0.652 CB 1.724 47 residues pruned to eliminate duplicates Z: 25 88.533 2.593 1.586 0.938 0.958 0.583 CB 1.955 25 residues pruned to eliminate duplicates Z: 48 84.416 2.464 1.369 0.775 0.979 0.681 CB 1.690 48 residues pruned to eliminate duplicates 455 residues left after pruning, divided into chains as follows: A: 180 B: 47 C: 180 D: 48 CC for partial structure against native data = 45.68 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.808, Connect. = 0.767 for dens.mod. cycle 1 = 0.300, Contrast = 0.934, Connect. = 0.799 for dens.mod. cycle 2 = 0.300, Contrast = 1.141, Connect. = 0.823 for dens.mod. cycle 3 = 0.300, Contrast = 1.191, Connect. = 0.826 for dens.mod. cycle 4 = 0.300, Contrast = 1.230, Connect. = 0.828 for dens.mod. cycle 5 = 0.300, Contrast = 1.250, Connect. = 0.830 for dens.mod. cycle 6 = 0.300, Contrast = 1.266, Connect. = 0.831 for dens.mod. cycle 7 = 0.300, Contrast = 1.275, Connect. = 0.832 for dens.mod. cycle 8 = 0.300, Contrast = 1.282, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 1.285, Connect. = 0.834 for dens.mod. cycle 10 TimeTaking 431.67