null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:27:02 on 15 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: ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.ins Phases from ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.phi Native data from ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.hkl Listing output to ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.lst Phases output to ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.phs Poly-Ala trace output to ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 1 2 1 Allowed origin shift code: 3 46757 Reflections read from file ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.phi 46757 Reflections read from file ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.hkl 46757 Unique data, highest resolution = 1.850 Angstroms Anisotropic scaling: intensities multiplied by 0.000084h^2 -0.000036k^2 -0.000110l^2 +0.000000kl -0.000067hl +0.000000hk 15 Reflections with d > 2.050 and 0 in range 2.050 > d > 1.850 added Density sharpening factor set to 0.98 Fourier grid = 256 x 128 x 64 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.701 = 0.300, Contrast = 0.417, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.574, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.714, Connect. = 0.782 for dens.mod. cycle 3 = 0.300, Contrast = 0.750, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.764, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.773, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.778, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.781, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.783, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.784, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2100 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 520 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 26.111 2.223 0.383 0.849 0.944 0.611 CB 1.571 B: 18 35.377 2.211 0.933 0.883 0.941 0.765 CB 1.543 19 residues pruned to eliminate duplicates C: 24 19.559 2.100 0.748 0.322 0.913 0.609 CA 1.480 D: 24 31.300 2.286 0.591 0.889 0.913 0.870 CB 1.415 E: 30 32.859 2.294 0.935 0.483 0.897 0.621 CB 1.560 F: 25 30.284 2.160 0.690 0.788 0.875 0.750 CB 1.502 23 residues pruned to eliminate duplicates G: 19 33.060 2.243 0.701 0.880 0.944 0.778 CB 1.566 H: 19 32.301 2.225 0.620 0.856 0.944 0.667 CB 1.650 19 residues pruned to eliminate duplicates I: 63 42.093 2.163 0.633 0.552 0.968 0.597 CB 1.486 24 residues pruned to eliminate duplicates J: 10 18.729 1.991 0.768 0.909 1.000 0.778 CB 1.259 K: 19 42.395 2.356 1.087 0.945 0.944 0.889 CB 1.489 L: 16 28.978 2.301 0.583 0.919 1.000 0.867 CB 1.448 16 residues pruned to eliminate duplicates M: 40 25.729 2.047 0.623 0.482 0.949 0.564 CB 1.331 40 residues pruned to eliminate duplicates N: 9 19.301 2.147 0.833 0.871 0.875 0.625 CB 1.445 9 residues pruned to eliminate duplicates O: 40 31.282 2.067 0.769 0.493 0.974 0.513 CB 1.415 40 residues pruned to eliminate duplicates P: 20 27.994 2.151 0.525 0.849 0.947 0.842 CB 1.532 20 residues pruned to eliminate duplicates Q: 21 36.225 2.393 0.973 0.493 0.950 0.700 CB 1.820 R: 13 24.960 2.318 0.654 0.937 1.000 0.917 CB 1.308 12 residues pruned to eliminate duplicates S: 16 18.876 2.096 0.903 0.475 0.800 0.467 CB 1.567 11 residues pruned to eliminate duplicates T: 23 43.982 2.314 0.984 0.946 0.955 0.636 CB 1.480 24 residues pruned to eliminate duplicates U: 45 27.614 1.959 0.724 0.439 0.932 0.523 CB 1.409 V: 63 46.839 2.140 0.794 0.546 0.968 0.661 CB 1.531 63 residues pruned to eliminate duplicates W: 24 36.635 2.376 0.863 0.480 1.000 0.609 CB 1.761 24 residues pruned to eliminate duplicates X: 19 31.723 2.245 0.603 0.851 1.000 0.556 CB 1.538 19 residues pruned to eliminate duplicates Y: 24 29.345 2.139 0.494 0.943 0.957 0.783 CB 1.387 Z: 25 34.416 2.237 0.501 0.923 1.000 0.833 CB 1.470 19 residues pruned to eliminate duplicates Z: 63 47.065 2.249 0.776 0.547 0.919 0.645 CB 1.555 45 residues pruned to eliminate duplicates Z: 16 26.811 2.317 0.711 0.880 1.000 0.800 CB 1.265 16 residues pruned to eliminate duplicates Z: 24 31.567 2.262 1.104 0.432 0.870 0.652 CB 1.707 24 residues pruned to eliminate duplicates Z: 24 33.241 2.318 0.918 0.457 0.957 0.565 CA 1.702 24 residues pruned to eliminate duplicates Z: 11 7.953 1.781 0.608 0.337 0.700 0.500 CB 1.499 11 residues pruned to eliminate duplicates Z: 10 16.226 1.949 0.472 0.844 1.000 0.667 CB 1.403 10 residues pruned to eliminate duplicates Z: 19 29.986 2.229 0.532 0.887 0.944 0.778 CB 1.580 19 residues pruned to eliminate duplicates Z: 54 30.701 2.057 0.707 0.503 0.906 0.396 CB 1.323 20 residues pruned to eliminate duplicates Z: 20 31.640 2.269 0.514 0.882 1.000 0.632 CB 1.529 20 residues pruned to eliminate duplicates Z: 65 43.014 2.228 0.656 0.559 0.922 0.594 CB 1.493 50 residues pruned to eliminate duplicates Z: 34 20.157 1.867 0.803 0.450 0.939 0.576 CB 1.168 Z: 46 41.493 2.246 0.794 0.575 0.911 0.622 CB 1.567 46 residues pruned to eliminate duplicates Z: 25 34.707 2.194 0.698 0.920 0.958 0.917 CB 1.397 25 residues pruned to eliminate duplicates Z: 24 43.377 2.316 0.861 0.941 0.957 0.739 CB 1.522 24 residues pruned to eliminate duplicates Z: 9 14.003 2.100 0.575 0.864 0.875 0.625 CB 1.253 9 residues pruned to eliminate duplicates Z: 60 48.405 2.302 0.855 0.552 0.915 0.678 CB 1.533 61 residues pruned to eliminate duplicates Z: 19 32.057 2.203 0.822 0.919 1.000 0.833 CB 1.327 20 residues pruned to eliminate duplicates Z: 23 28.511 2.256 0.970 0.453 0.864 0.636 CB 1.661 23 residues pruned to eliminate duplicates Z: 26 30.295 2.118 0.465 0.945 1.000 0.960 CB 1.351 25 residues pruned to eliminate duplicates Z: 16 34.454 2.345 0.768 0.907 1.000 0.933 CB 1.525 16 residues pruned to eliminate duplicates Z: 24 44.861 2.318 0.932 0.950 0.957 0.957 CB 1.505 25 residues pruned to eliminate duplicates Z: 18 32.585 2.209 0.658 0.885 0.941 0.824 CB 1.655 18 residues pruned to eliminate duplicates Z: 13 21.470 2.045 1.018 0.557 0.917 0.583 CB 1.550 13 residues pruned to eliminate duplicates Z: 108 54.273 2.108 0.953 0.537 0.888 0.505 CB 1.384 91 residues pruned to eliminate duplicates Z: 24 54.712 2.307 1.582 0.952 0.913 0.478 CB 1.445 24 residues pruned to eliminate duplicates Z: 48 44.844 2.163 0.951 0.645 0.936 0.702 CB 1.447 48 residues pruned to eliminate duplicates Z: 13 39.442 2.286 1.387 0.930 0.917 0.917 CB 1.592 13 residues pruned to eliminate duplicates Z: 48 29.623 2.080 0.767 0.513 0.872 0.553 CB 1.331 48 residues pruned to eliminate duplicates Z: 62 55.740 2.296 0.953 0.602 0.934 0.705 CB 1.546 63 residues pruned to eliminate duplicates Z: 19 41.990 2.279 1.359 0.953 0.944 0.278 CB 1.341 19 residues pruned to eliminate duplicates Z: 22 36.036 2.222 1.073 0.510 1.000 0.571 CA 1.690 22 residues pruned to eliminate duplicates Z: 17 34.909 2.290 0.668 0.922 1.000 0.812 CB 1.607 17 residues pruned to eliminate duplicates Z: 20 22.115 2.031 0.571 0.826 0.895 0.684 CB 1.340 20 residues pruned to eliminate duplicates Z: 19 31.877 2.258 0.618 0.892 1.000 0.722 CB 1.477 19 residues pruned to eliminate duplicates Z: 17 40.326 2.359 1.146 0.932 0.938 0.688 CB 1.483 17 residues pruned to eliminate duplicates Z: 60 46.662 2.182 0.773 0.581 0.949 0.712 CB 1.530 63 residues pruned to eliminate duplicates Z: 22 38.597 2.264 0.766 0.919 1.000 0.810 CB 1.484 22 residues pruned to eliminate duplicates Z: 24 31.651 2.123 0.548 0.941 1.000 0.957 CB 1.394 24 residues pruned to eliminate duplicates Z: 24 46.542 2.353 0.899 0.947 0.957 0.870 CB 1.570 24 residues pruned to eliminate duplicates Z: 63 50.829 2.257 0.883 0.552 0.952 0.645 CB 1.517 62 residues pruned to eliminate duplicates Z: 25 33.516 2.089 0.789 0.939 0.958 0.792 CB 1.328 24 residues pruned to eliminate duplicates Z: 10 23.115 2.028 1.072 0.913 1.000 0.556 CB 1.298 10 residues pruned to eliminate duplicates Z: 54 29.086 2.007 0.755 0.463 0.925 0.585 CB 1.274 54 residues pruned to eliminate duplicates Z: 40 43.362 2.191 0.905 0.671 0.974 0.821 CB 1.458 40 residues pruned to eliminate duplicates Z: 27 38.323 2.254 1.064 0.508 0.923 0.654 CA 1.736 27 residues pruned to eliminate duplicates Z: 10 20.092 2.066 0.662 0.913 1.000 0.667 CB 1.380 10 residues pruned to eliminate duplicates Z: 25 35.270 2.253 0.446 0.939 1.000 0.958 CB 1.536 25 residues pruned to eliminate duplicates Z: 22 50.087 2.372 1.197 0.958 0.952 0.667 CB 1.511 22 residues pruned to eliminate duplicates Z: 24 36.174 2.119 0.834 0.935 0.957 0.783 CB 1.414 24 residues pruned to eliminate duplicates Z: 10 14.696 1.956 0.503 0.901 1.000 0.778 CB 1.190 10 residues pruned to eliminate duplicates Z: 20 44.940 2.290 1.345 0.956 1.000 0.474 CB 1.318 20 residues pruned to eliminate duplicates Z: 29 27.480 2.081 1.076 0.437 0.821 0.643 CA 1.562 29 residues pruned to eliminate duplicates Z: 23 31.907 2.168 0.721 0.951 0.955 0.727 CB 1.317 23 residues pruned to eliminate duplicates Z: 19 24.551 1.964 0.695 0.838 0.944 0.778 CB 1.376 19 residues pruned to eliminate duplicates Z: 23 25.019 2.138 0.362 0.951 0.955 0.909 CB 1.323 23 residues pruned to eliminate duplicates Z: 92 50.668 2.166 0.797 0.556 0.901 0.626 CB 1.434 79 residues pruned to eliminate duplicates Z: 26 33.941 2.194 0.974 0.530 0.960 0.680 CB 1.586 22 residues pruned to eliminate duplicates Z: 18 28.043 2.191 0.561 0.896 1.000 0.706 CB 1.425 18 residues pruned to eliminate duplicates Z: 24 56.591 2.337 1.300 0.960 1.000 0.565 CB 1.503 24 residues pruned to eliminate duplicates Z: 26 30.377 2.202 0.879 0.466 0.960 0.520 CB 1.584 26 residues pruned to eliminate duplicates Z: 61 47.567 2.139 0.738 0.602 0.967 0.683 CB 1.550 61 residues pruned to eliminate duplicates Z: 25 53.743 2.308 1.100 0.955 1.000 0.500 CB 1.556 25 residues pruned to eliminate duplicates Z: 19 28.250 2.147 0.686 0.880 0.889 0.722 CB 1.500 19 residues pruned to eliminate duplicates Z: 25 45.654 2.289 0.905 0.924 0.958 0.667 CB 1.566 25 residues pruned to eliminate duplicates Z: 97 65.373 2.213 0.972 0.619 0.917 0.562 CB 1.490 97 residues pruned to eliminate duplicates Z: 25 39.239 2.110 0.966 0.961 0.958 0.583 CB 1.379 25 residues pruned to eliminate duplicates Z: 16 40.873 2.289 0.893 0.923 1.000 0.867 CB 1.712 16 residues pruned to eliminate duplicates Z: 64 35.380 2.109 0.631 0.516 0.921 0.619 CB 1.385 64 residues pruned to eliminate duplicates Z: 13 14.429 2.189 0.161 0.898 0.917 0.833 CB 1.278 13 residues pruned to eliminate duplicates Z: 51 33.896 2.061 0.790 0.515 0.960 0.620 CB 1.333 51 residues pruned to eliminate duplicates Z: 38 17.606 1.847 0.605 0.459 0.865 0.541 CB 1.178 38 residues pruned to eliminate duplicates Z: 16 34.082 2.312 0.994 0.956 1.000 0.933 CB 1.311 16 residues pruned to eliminate duplicates Z: 19 27.766 2.213 0.775 0.825 0.889 0.667 CB 1.416 19 residues pruned to eliminate duplicates Z: 24 42.584 2.290 0.938 0.942 0.957 0.783 CB 1.451 24 residues pruned to eliminate duplicates Z: 11 27.957 2.244 0.952 0.907 0.900 0.600 CB 1.594 11 residues pruned to eliminate duplicates Z: 9 17.416 2.070 0.784 0.906 0.875 0.750 CB 1.356 9 residues pruned to eliminate duplicates Z: 23 25.238 2.242 0.532 0.766 0.909 0.864 CB 1.360 23 residues pruned to eliminate duplicates Z: 19 25.291 2.079 0.465 0.899 1.000 0.611 CB 1.400 19 residues pruned to eliminate duplicates Z: 23 56.746 2.373 1.261 0.950 1.000 0.773 CB 1.555 23 residues pruned to eliminate duplicates Z: 52 30.696 2.023 0.703 0.492 0.941 0.529 CB 1.336 52 residues pruned to eliminate duplicates Z: 25 54.525 2.267 1.326 0.919 1.000 0.542 CB 1.487 25 residues pruned to eliminate duplicates Z: 24 47.591 2.318 1.048 0.962 0.957 0.783 CB 1.495 24 residues pruned to eliminate duplicates Z: 47 38.229 2.147 0.769 0.588 0.870 0.696 CB 1.569 47 residues pruned to eliminate duplicates Z: 17 35.051 2.328 0.560 0.929 1.000 0.938 CB 1.689 17 residues pruned to eliminate duplicates Z: 20 28.569 2.103 0.497 0.899 1.000 0.895 CB 1.489 20 residues pruned to eliminate duplicates Z: 51 33.688 2.078 0.730 0.461 0.960 0.460 CB 1.436 51 residues pruned to eliminate duplicates Z: 42 32.143 2.059 0.658 0.645 0.927 0.610 CB 1.386 42 residues pruned to eliminate duplicates Z: 28 16.103 1.817 0.706 0.459 0.889 0.667 CB 1.173 28 residues pruned to eliminate duplicates Z: 25 29.090 2.107 0.469 0.951 1.000 0.958 CB 1.322 25 residues pruned to eliminate duplicates Z: 41 19.519 1.779 0.685 0.493 0.900 0.550 CB 1.152 35 residues pruned to eliminate duplicates Z: 12 16.758 1.960 1.137 0.623 0.818 0.636 CB 1.314 12 residues pruned to eliminate duplicates Z: 35 24.282 1.923 0.787 0.516 0.912 0.588 CB 1.308 35 residues pruned to eliminate duplicates Z: 6 15.346 1.852 0.809 0.828 1.000 0.800 CA 1.542 Z: 9 17.542 2.105 0.586 0.908 0.875 0.875 CB 1.508 9 residues pruned to eliminate duplicates Z: 23 22.616 2.041 0.684 0.794 0.864 0.682 CB 1.256 23 residues pruned to eliminate duplicates Z: 70 43.197 2.193 0.806 0.499 0.913 0.623 CB 1.439 70 residues pruned to eliminate duplicates Z: 17 31.535 2.254 0.670 0.903 1.000 0.562 CB 1.493 17 residues pruned to eliminate duplicates Z: 42 33.373 2.034 0.870 0.504 0.927 0.659 CB 1.473 42 residues pruned to eliminate duplicates Z: 64 53.007 2.260 0.904 0.581 0.952 0.698 CB 1.507 64 residues pruned to eliminate duplicates Z: 25 37.782 2.196 0.755 0.947 0.958 0.792 CB 1.444 25 residues pruned to eliminate duplicates Z: 34 35.878 2.174 0.878 0.682 0.909 0.636 CB 1.423 34 residues pruned to eliminate duplicates Z: 26 43.180 2.203 0.878 0.929 1.000 0.800 CB 1.461 26 residues pruned to eliminate duplicates Z: 64 43.825 2.227 0.651 0.542 0.952 0.635 CB 1.513 64 residues pruned to eliminate duplicates Z: 24 33.508 2.094 0.750 0.922 1.000 0.783 CB 1.341 24 residues pruned to eliminate duplicates Z: 24 58.590 2.331 1.510 0.958 0.957 0.435 CB 1.498 24 residues pruned to eliminate duplicates Z: 21 44.093 2.245 1.278 0.926 0.950 0.250 CB 1.423 21 residues pruned to eliminate duplicates Z: 26 23.011 2.046 0.649 0.623 1.000 0.600 CB 1.214 26 residues pruned to eliminate duplicates Z: 39 26.691 2.043 0.693 0.515 0.947 0.605 CB 1.302 39 residues pruned to eliminate duplicates Z: 8 8.780 1.814 0.544 0.715 0.714 0.571 CA 1.366 8 residues pruned to eliminate duplicates Z: 24 50.926 2.294 1.264 0.961 0.957 0.261 CB 1.463 34 residues pruned to eliminate duplicates Z: 24 45.086 2.311 0.974 0.942 0.957 0.870 CB 1.495 24 residues pruned to eliminate duplicates Z: 24 30.430 2.112 0.587 0.931 1.000 0.652 CB 1.323 24 residues pruned to eliminate duplicates Z: 33 34.305 2.204 0.818 0.501 0.906 0.625 CB 1.668 27 residues pruned to eliminate duplicates Z: 34 40.598 2.196 0.901 0.700 0.939 0.788 CB 1.502 34 residues pruned to eliminate duplicates Z: 52 32.758 2.053 0.760 0.582 0.902 0.647 CB 1.300 39 residues pruned to eliminate duplicates Z: 42 36.643 2.123 0.796 0.634 0.951 0.732 CB 1.392 42 residues pruned to eliminate duplicates Z: 20 27.499 2.244 0.304 0.874 1.000 0.684 CB 1.569 20 residues pruned to eliminate duplicates Z: 51 41.380 2.251 0.700 0.584 0.940 0.700 CB 1.501 51 residues pruned to eliminate duplicates Z: 25 27.865 2.068 0.499 0.958 1.000 1.000 CB 1.258 25 residues pruned to eliminate duplicates Z: 52 29.071 2.038 0.698 0.479 0.922 0.471 CB 1.303 52 residues pruned to eliminate duplicates Z: 39 28.967 2.060 0.809 0.507 0.974 0.553 CB 1.286 39 residues pruned to eliminate duplicates Z: 52 22.408 1.881 0.582 0.460 0.922 0.510 CB 1.191 52 residues pruned to eliminate duplicates Z: 8 25.531 2.111 1.293 0.772 1.000 0.857 CB 1.567 8 residues pruned to eliminate duplicates Z: 19 26.908 2.104 0.593 0.870 1.000 0.722 CB 1.381 19 residues pruned to eliminate duplicates Z: 24 51.749 2.324 1.193 0.949 0.957 0.652 CB 1.528 24 residues pruned to eliminate duplicates Z: 27 27.010 1.958 0.821 0.611 1.000 0.538 CB 1.337 27 residues pruned to eliminate duplicates Z: 9 19.741 2.084 0.939 0.906 0.875 0.750 CB 1.404 9 residues pruned to eliminate duplicates Z: 24 44.786 2.267 0.968 0.941 1.000 0.739 CB 1.452 24 residues pruned to eliminate duplicates Z: 10 22.141 2.047 0.889 0.880 1.000 0.778 CB 1.384 10 residues pruned to eliminate duplicates Z: 19 31.499 2.297 0.635 0.923 1.000 0.889 CB 1.389 19 residues pruned to eliminate duplicates Z: 41 18.472 1.882 0.551 0.402 0.900 0.450 CB 1.233 41 residues pruned to eliminate duplicates Z: 10 12.543 2.001 0.612 0.898 0.778 0.556 CB 1.192 10 residues pruned to eliminate duplicates Z: 63 45.366 2.220 0.701 0.541 0.952 0.597 CB 1.539 63 residues pruned to eliminate duplicates Z: 38 38.324 2.244 0.668 0.688 0.946 0.757 CB 1.498 38 residues pruned to eliminate duplicates Z: 9 22.226 2.143 0.840 0.899 1.000 0.875 CB 1.424 9 residues pruned to eliminate duplicates Z: 81 44.745 2.147 0.811 0.560 0.900 0.637 CB 1.349 81 residues pruned to eliminate duplicates Z: 24 62.628 2.311 1.522 0.943 1.000 0.478 CB 1.552 24 residues pruned to eliminate duplicates Z: 11 28.973 2.195 0.968 0.924 0.900 0.800 CB 1.655 11 residues pruned to eliminate duplicates Z: 9 22.577 2.085 0.967 0.756 1.000 0.875 CB 1.550 9 residues pruned to eliminate duplicates Z: 18 20.198 2.154 0.756 0.536 0.824 0.529 CA 1.519 18 residues pruned to eliminate duplicates Z: 44 41.298 2.255 0.878 0.597 0.930 0.628 CB 1.457 44 residues pruned to eliminate duplicates Z: 28 14.838 1.740 0.566 0.469 0.852 0.556 CB 1.270 28 residues pruned to eliminate duplicates Z: 19 32.746 2.272 0.524 0.903 1.000 0.667 CB 1.588 19 residues pruned to eliminate duplicates Z: 10 14.334 2.011 0.598 0.875 0.889 0.667 CB 1.216 10 residues pruned to eliminate duplicates Z: 21 24.717 2.278 0.883 0.412 0.950 0.600 CB 1.488 21 residues pruned to eliminate duplicates Z: 18 26.368 2.188 0.561 0.872 0.941 0.353 CB 1.450 18 residues pruned to eliminate duplicates Z: 40 27.836 2.071 0.703 0.512 0.974 0.487 CB 1.281 40 residues pruned to eliminate duplicates Z: 6 8.839 1.790 1.171 0.753 0.800 0.400 CA 1.015 Z: 9 9.199 1.860 1.266 0.392 0.875 0.500 CB 0.989 9 residues pruned to eliminate duplicates Z: 16 19.257 2.109 0.936 0.525 0.933 0.733 CB 1.273 16 residues pruned to eliminate duplicates Z: 91 54.765 2.177 0.874 0.576 0.911 0.622 CB 1.442 97 residues pruned to eliminate duplicates Z: 25 39.102 2.296 1.059 0.512 0.958 0.625 CA 1.742 25 residues pruned to eliminate duplicates Z: 20 27.313 2.071 0.699 0.931 0.947 0.842 CB 1.313 20 residues pruned to eliminate duplicates Z: 15 12.736 2.052 0.795 0.369 0.857 0.429 CB 1.241 15 residues pruned to eliminate duplicates Z: 42 38.709 2.192 0.791 0.633 0.976 0.659 CB 1.393 42 residues pruned to eliminate duplicates Z: 40 19.338 1.894 0.611 0.442 0.897 0.564 CB 1.200 40 residues pruned to eliminate duplicates Z: 27 49.230 2.287 1.074 0.845 1.000 0.846 CB 1.513 27 residues pruned to eliminate duplicates Z: 24 38.811 2.138 0.890 0.950 0.957 0.739 CB 1.445 24 residues pruned to eliminate duplicates Z: 19 31.591 2.229 0.639 0.879 1.000 0.667 CB 1.478 19 residues pruned to eliminate duplicates Z: 18 29.088 2.257 0.738 0.897 0.882 0.471 CB 1.459 18 residues pruned to eliminate duplicates Z: 18 34.944 2.221 0.842 0.908 0.941 0.882 CB 1.563 18 residues pruned to eliminate duplicates Z: 24 40.328 2.143 1.057 0.954 0.957 0.652 CB 1.372 24 residues pruned to eliminate duplicates Z: 23 40.974 2.134 1.043 0.949 1.000 0.545 CB 1.382 23 residues pruned to eliminate duplicates Z: 39 28.172 2.052 0.724 0.521 0.921 0.632 CB 1.373 39 residues pruned to eliminate duplicates Z: 24 37.166 2.133 0.868 0.946 0.957 0.739 CB 1.406 24 residues pruned to eliminate duplicates Z: 39 27.665 1.987 0.839 0.476 0.895 0.553 CB 1.407 39 residues pruned to eliminate duplicates Z: 24 35.238 2.135 0.816 0.934 0.957 0.522 CB 1.382 24 residues pruned to eliminate duplicates Z: 19 32.543 2.248 0.726 0.881 1.000 0.389 CB 1.431 19 residues pruned to eliminate duplicates Z: 21 28.167 2.164 0.676 0.787 1.000 0.950 CB 1.349 21 residues pruned to eliminate duplicates Z: 38 31.147 2.046 0.714 0.648 0.946 0.649 CB 1.345 38 residues pruned to eliminate duplicates Z: 52 31.213 1.994 0.778 0.484 0.941 0.529 CB 1.331 52 residues pruned to eliminate duplicates Z: 36 53.848 2.265 1.305 0.768 0.943 0.600 CB 1.458 29 residues pruned to eliminate duplicates Z: 52 31.641 2.018 0.751 0.485 0.941 0.510 CB 1.353 52 residues pruned to eliminate duplicates Z: 20 21.351 2.012 0.647 0.835 0.842 0.579 CB 1.315 20 residues pruned to eliminate duplicates Z: 44 32.023 2.074 0.808 0.531 0.930 0.651 CB 1.358 44 residues pruned to eliminate duplicates Z: 131 60.321 2.171 0.779 0.592 0.900 0.638 CB 1.393 194 residues pruned to eliminate duplicates Z: 45 27.221 2.035 0.708 0.466 0.932 0.523 CB 1.312 45 residues pruned to eliminate duplicates Z: 56 41.473 2.199 0.863 0.558 0.909 0.636 CB 1.419 Z: 11 13.184 1.967 0.347 0.774 0.900 0.600 CB 1.371 11 residues pruned to eliminate duplicates Z: 53 29.611 2.027 0.795 0.435 0.904 0.519 CB 1.336 53 residues pruned to eliminate duplicates Z: 19 27.472 2.101 0.670 0.874 0.944 0.667 CB 1.421 19 residues pruned to eliminate duplicates Z: 20 20.743 1.989 0.575 0.829 0.895 0.684 CB 1.278 20 residues pruned to eliminate duplicates Z: 29 32.980 2.237 0.919 0.462 0.929 0.571 CB 1.626 29 residues pruned to eliminate duplicates Z: 25 54.060 2.305 1.222 0.949 1.000 0.667 CB 1.487 25 residues pruned to eliminate duplicates Z: 42 31.605 2.043 0.616 0.639 0.951 0.561 CB 1.380 42 residues pruned to eliminate duplicates Z: 8 13.061 2.058 0.077 0.832 1.000 1.000 CB 1.672 8 residues pruned to eliminate duplicates Z: 6 10.121 1.857 0.835 0.825 1.000 0.800 CA 1.003 6 residues pruned to eliminate duplicates Z: 39 29.542 2.045 0.807 0.551 0.947 0.526 CB 1.303 39 residues pruned to eliminate duplicates Z: 13 28.951 1.994 0.953 0.928 1.000 0.833 CA 1.503 13 residues pruned to eliminate duplicates Z: 18 33.508 2.239 0.819 0.861 0.941 0.765 CB 1.558 18 residues pruned to eliminate duplicates Z: 52 30.620 2.051 0.743 0.481 0.922 0.431 CB 1.326 52 residues pruned to eliminate duplicates Z: 6 5.424 1.784 -0.130 0.544 1.000 0.600 N 1.498 Z: 39 28.340 2.031 0.817 0.516 0.947 0.579 CB 1.295 39 residues pruned to eliminate duplicates Z: 32 17.336 1.986 0.642 0.357 0.871 0.548 CB 1.279 32 residues pruned to eliminate duplicates Z: 100 53.880 2.232 0.711 0.584 0.909 0.626 CB 1.439 100 residues pruned to eliminate duplicates Z: 49 34.143 2.056 0.648 0.538 0.979 0.625 CB 1.431 49 residues pruned to eliminate duplicates Z: 90 53.472 2.197 0.788 0.584 0.944 0.674 CB 1.411 90 residues pruned to eliminate duplicates Z: 45 31.531 2.036 0.733 0.549 0.932 0.636 CB 1.379 45 residues pruned to eliminate duplicates Z: 38 37.482 2.146 0.953 0.601 0.919 0.676 CB 1.454 38 residues pruned to eliminate duplicates Z: 57 27.228 2.006 0.619 0.450 0.911 0.500 CB 1.296 57 residues pruned to eliminate duplicates Z: 6 6.698 1.711 0.919 0.531 0.600 0.400 O 1.475 5 residues pruned to eliminate duplicates Z: 42 35.117 2.113 0.699 0.628 0.951 0.683 CB 1.424 42 residues pruned to eliminate duplicates Z: 20 31.873 2.257 0.604 0.864 1.000 0.632 CB 1.482 20 residues pruned to eliminate duplicates Z: 25 38.661 2.125 0.925 0.920 1.000 0.542 CB 1.358 25 residues pruned to eliminate duplicates Z: 24 37.672 2.320 0.506 0.952 1.000 1.000 CB 1.548 24 residues pruned to eliminate duplicates Z: 10 11.983 1.972 0.962 0.555 0.778 0.556 CB 1.257 10 residues pruned to eliminate duplicates Z: 45 33.004 2.066 0.729 0.513 0.955 0.705 CB 1.441 45 residues pruned to eliminate duplicates Z: 9 19.180 2.073 0.742 0.807 1.000 0.750 CA 1.437 9 residues pruned to eliminate duplicates Z: 22 32.462 2.282 0.469 0.952 1.000 1.000 CB 1.455 22 residues pruned to eliminate duplicates Z: 24 52.230 2.278 1.436 0.947 0.913 0.348 CB 1.485 24 residues pruned to eliminate duplicates Z: 24 39.842 2.262 1.008 0.933 0.913 0.435 CB 1.398 24 residues pruned to eliminate duplicates Z: 24 32.736 2.105 0.718 0.936 1.000 0.826 CB 1.314 24 residues pruned to eliminate duplicates Z: 6 2.518 1.827 0.337 0.302 0.600 0.400 CB 0.958 Z: 12 30.542 2.289 1.116 0.717 1.000 0.909 CB 1.562 15 residues pruned to eliminate duplicates Z: 7 6.136 1.679 0.696 0.509 0.833 0.667 CB 1.046 Z: 19 28.787 2.085 0.655 0.879 1.000 0.667 CB 1.426 19 residues pruned to eliminate duplicates Z: 140 60.561 2.108 0.836 0.547 0.906 0.612 CB 1.398 51 residues pruned to eliminate duplicates Z: 22 9.761 1.618 0.407 0.492 0.905 0.333 CB 1.042 22 residues pruned to eliminate duplicates Z: 20 22.243 2.019 0.487 0.851 0.895 0.737 CB 1.406 20 residues pruned to eliminate duplicates Z: 19 27.500 2.213 0.703 0.893 0.944 0.556 CB 1.307 19 residues pruned to eliminate duplicates Z: 25 58.753 2.295 1.417 0.940 1.000 0.500 CB 1.501 25 residues pruned to eliminate duplicates Z: 86 52.153 2.125 0.925 0.562 0.929 0.494 CB 1.401 86 residues pruned to eliminate duplicates Z: 23 37.741 2.175 0.896 0.947 1.000 0.727 CB 1.348 23 residues pruned to eliminate duplicates Z: 42 34.064 2.104 0.770 0.570 0.976 0.659 CB 1.368 42 residues pruned to eliminate duplicates Z: 37 33.299 2.225 0.672 0.673 0.917 0.667 CB 1.388 37 residues pruned to eliminate duplicates Z: 20 23.298 2.155 0.960 0.419 0.895 0.632 CA 1.538 17 residues pruned to eliminate duplicates Z: 53 47.076 2.248 0.885 0.613 0.885 0.673 CB 1.564 58 residues pruned to eliminate duplicates Z: 20 15.179 1.980 0.838 0.393 0.842 0.474 CB 1.273 20 residues pruned to eliminate duplicates Z: 38 37.272 2.250 0.776 0.666 0.946 0.649 CB 1.390 38 residues pruned to eliminate duplicates Z: 41 34.360 2.240 0.789 0.615 0.900 0.675 CB 1.351 41 residues pruned to eliminate duplicates Z: 30 27.153 2.067 0.730 0.602 1.000 0.586 CB 1.279 30 residues pruned to eliminate duplicates Z: 39 13.818 1.795 0.410 0.405 0.868 0.500 CB 1.127 39 residues pruned to eliminate duplicates Z: 24 38.436 2.157 0.857 0.958 0.957 0.783 CB 1.434 24 residues pruned to eliminate duplicates Z: 8 3.406 1.299 0.439 0.547 0.857 0.286 CA 0.768 Z: 29 15.940 1.802 0.780 0.454 0.893 0.464 CB 1.103 29 residues pruned to eliminate duplicates Z: 10 4.977 1.551 0.125 0.528 0.778 0.556 O 1.189 Z: 24 33.629 2.093 0.733 0.943 0.957 0.522 CB 1.400 24 residues pruned to eliminate duplicates Z: 7 5.432 1.832 -0.373 0.753 1.000 0.833 N 1.540 Z: 19 6.708 1.632 0.466 0.287 0.722 0.556 CB 1.162 Z: 24 37.099 2.231 0.594 0.925 1.000 0.870 CB 1.527 24 residues pruned to eliminate duplicates Z: 91 52.294 2.098 0.951 0.557 0.944 0.556 CB 1.348 91 residues pruned to eliminate duplicates Z: 6 15.914 1.943 0.671 0.879 1.000 0.800 CA 1.591 7 residues pruned to eliminate duplicates Z: 10 18.633 1.976 0.935 0.883 1.000 0.667 CB 1.174 10 residues pruned to eliminate duplicates Z: 8 15.968 2.030 0.641 0.767 1.000 0.714 CB 1.430 8 residues pruned to eliminate duplicates Z: 40 18.103 1.961 0.501 0.417 0.795 0.436 CB 1.350 40 residues pruned to eliminate duplicates Z: 15 32.469 2.299 0.851 0.915 0.929 0.857 CB 1.552 15 residues pruned to eliminate duplicates Z: 40 41.874 2.194 0.727 0.644 0.974 0.615 CB 1.588 40 residues pruned to eliminate duplicates Z: 50 28.669 2.079 0.759 0.486 0.878 0.490 CB 1.294 50 residues pruned to eliminate duplicates Z: 7 5.733 1.820 -0.157 0.653 1.000 0.500 CB 1.324 4 residues pruned to eliminate duplicates Z: 90 49.530 2.105 0.982 0.539 0.888 0.506 CB 1.365 90 residues pruned to eliminate duplicates Z: 20 13.817 1.948 0.432 0.451 0.895 0.421 CB 1.335 20 residues pruned to eliminate duplicates Z: 7 5.177 1.764 -0.281 0.690 1.000 0.833 N 1.400 6 residues pruned to eliminate duplicates Z: 48 42.430 2.170 1.094 0.599 0.851 0.426 CB 1.457 48 residues pruned to eliminate duplicates Z: 19 12.235 1.840 0.302 0.813 0.833 0.444 CB 1.100 19 residues pruned to eliminate duplicates Z: 7 7.210 1.645 0.790 0.421 0.833 0.333 CA 1.303 Z: 14 26.481 2.251 0.795 0.929 1.000 0.692 CB 1.273 14 residues pruned to eliminate duplicates Z: 23 35.911 2.147 1.020 0.938 0.955 0.545 CB 1.286 23 residues pruned to eliminate duplicates Z: 30 22.074 1.993 0.672 0.428 0.931 0.621 CB 1.422 30 residues pruned to eliminate duplicates Z: 24 32.188 2.270 0.479 0.947 0.957 0.870 CB 1.445 24 residues pruned to eliminate duplicates Z: 44 28.306 1.994 0.603 0.614 0.930 0.674 CB 1.303 44 residues pruned to eliminate duplicates Z: 33 25.792 2.079 0.723 0.592 0.906 0.562 CB 1.286 33 residues pruned to eliminate duplicates Z: 51 35.306 2.061 0.871 0.533 0.940 0.600 CB 1.334 51 residues pruned to eliminate duplicates Z: 14 21.991 2.189 0.859 0.613 1.000 0.923 CB 1.346 14 residues pruned to eliminate duplicates Z: 9 12.723 2.017 0.647 0.570 0.875 0.625 CB 1.446 9 residues pruned to eliminate duplicates Z: 8 5.770 1.680 -0.227 0.644 1.000 0.714 N 1.468 8 residues pruned to eliminate duplicates Z: 54 36.540 2.150 0.718 0.558 0.887 0.642 CB 1.449 54 residues pruned to eliminate duplicates Z: 24 40.869 2.136 1.180 0.949 0.957 0.609 CB 1.321 24 residues pruned to eliminate duplicates Z: 48 43.858 2.140 1.199 0.592 0.894 0.426 CB 1.393 48 residues pruned to eliminate duplicates Z: 18 18.481 2.093 0.820 0.461 0.882 0.765 CB 1.388 18 residues pruned to eliminate duplicates Z: 7 4.179 1.811 0.369 0.356 0.833 0.500 CB 0.965 7 residues pruned to eliminate duplicates Z: 20 21.974 1.986 0.708 0.834 0.842 0.579 CB 1.322 20 residues pruned to eliminate duplicates Z: 25 37.930 2.256 0.635 0.928 1.000 0.958 CB 1.470 25 residues pruned to eliminate duplicates Z: 20 28.159 2.156 0.660 0.813 0.895 0.632 CB 1.536 20 residues pruned to eliminate duplicates Z: 10 19.951 1.954 0.914 0.900 1.000 0.556 CB 1.270 Z: 6 4.121 1.714 0.098 0.462 1.000 0.800 CB 1.018 Z: 7 18.862 2.104 0.964 0.780 1.000 0.833 CB 1.455 Z: 21 14.676 1.984 0.652 0.482 0.800 0.600 CB 1.274 21 residues pruned to eliminate duplicates Z: 48 39.452 2.202 0.911 0.659 0.872 0.596 CB 1.352 55 residues pruned to eliminate duplicates Z: 51 26.930 2.056 0.553 0.466 0.920 0.560 CB 1.343 51 residues pruned to eliminate duplicates Z: 18 24.253 2.059 0.482 0.889 0.941 0.706 CB 1.475 18 residues pruned to eliminate duplicates Z: 23 21.247 2.071 0.164 0.947 1.000 0.909 CB 1.298 23 residues pruned to eliminate duplicates Z: 8 8.616 1.783 1.002 0.659 0.857 0.714 N 0.918 Z: 10 8.736 1.935 0.741 0.442 0.778 0.556 CB 1.179 10 residues pruned to eliminate duplicates Z: 20 36.659 2.062 1.180 0.932 1.000 0.263 CB 1.306 20 residues pruned to eliminate duplicates Z: 42 24.267 2.055 0.626 0.453 0.854 0.561 CB 1.394 42 residues pruned to eliminate duplicates Z: 14 23.184 1.957 1.012 0.889 0.923 0.385 CB 1.274 14 residues pruned to eliminate duplicates Z: 39 17.836 1.860 0.573 0.485 0.868 0.474 CB 1.156 39 residues pruned to eliminate duplicates Z: 11 28.628 2.413 0.830 0.618 1.000 0.900 CA 1.834 13 residues pruned to eliminate duplicates Z: 6 10.772 1.927 1.102 0.779 1.000 0.800 CB 0.930 Z: 116 55.879 2.079 0.933 0.551 0.922 0.522 CB 1.339 126 residues pruned to eliminate duplicates Z: 36 46.329 2.195 1.192 0.712 0.886 0.514 CB 1.516 36 residues pruned to eliminate duplicates Z: 6 10.162 1.733 1.018 0.695 1.000 0.800 CB 1.088 6 residues pruned to eliminate duplicates Z: 18 37.313 2.207 0.758 0.934 1.000 0.882 CB 1.626 18 residues pruned to eliminate duplicates Z: 23 38.952 2.163 1.197 0.952 0.955 0.364 CB 1.261 23 residues pruned to eliminate duplicates Z: 25 48.217 2.239 1.187 0.947 1.000 0.375 CB 1.388 25 residues pruned to eliminate duplicates Z: 50 30.992 2.031 0.753 0.495 0.898 0.490 CB 1.391 50 residues pruned to eliminate duplicates Z: 20 10.749 1.929 0.700 0.458 0.684 0.474 CB 1.147 20 residues pruned to eliminate duplicates Z: 6 9.063 1.578 0.413 0.863 1.000 1.000 CA 1.335 Z: 9 19.955 2.082 0.587 0.908 1.000 1.000 CB 1.516 9 residues pruned to eliminate duplicates Z: 7 7.462 2.056 0.677 0.816 1.000 0.833 CB 0.671 Z: 13 4.880 1.673 0.158 0.458 0.833 0.500 CB 0.912 Z: 37 23.690 1.951 0.607 0.596 0.861 0.583 CB 1.334 37 residues pruned to eliminate duplicates Z: 6 2.805 1.639 -0.356 0.468 1.000 0.600 CA 1.228 6 residues pruned to eliminate duplicates Z: 7 7.030 2.024 0.336 0.796 1.000 0.833 CB 0.819 7 residues pruned to eliminate duplicates Z: 93 56.471 2.121 0.975 0.575 0.935 0.543 CB 1.399 93 residues pruned to eliminate duplicates Z: 12 24.115 2.384 0.714 0.575 0.909 0.818 CA 1.821 12 residues pruned to eliminate duplicates Z: 10 20.245 2.051 0.895 0.902 0.889 0.667 CB 1.393 10 residues pruned to eliminate duplicates Z: 6 7.910 2.019 0.752 0.271 0.800 0.600 CA 1.622 6 residues pruned to eliminate duplicates Z: 7 3.144 1.588 -0.110 0.488 0.833 0.667 O 1.103 Z: 24 33.961 2.272 0.976 0.536 0.913 0.652 CA 1.667 19 residues pruned to eliminate duplicates Z: 39 34.061 2.219 0.702 0.672 0.921 0.632 CB 1.355 39 residues pruned to eliminate duplicates Z: 9 3.861 1.678 0.444 0.289 0.625 0.375 CB 1.143 10 residues pruned to eliminate duplicates Z: 7 2.704 1.408 0.659 0.283 0.667 0.500 CB 0.905 Z: 8 7.518 1.822 -0.093 0.732 1.000 0.714 CB 1.395 Z: 6 4.562 1.807 0.275 0.635 1.000 0.600 CB 0.780 5 residues pruned to eliminate duplicates Z: 71 32.042 1.966 0.558 0.585 0.914 0.657 CB 1.260 71 residues pruned to eliminate duplicates Z: 33 29.170 2.148 0.527 0.684 0.906 0.750 CB 1.464 33 residues pruned to eliminate duplicates Z: 25 15.794 1.919 0.757 0.432 0.833 0.500 CB 1.231 25 residues pruned to eliminate duplicates Z: 27 26.321 2.236 0.661 0.418 0.923 0.615 CB 1.640 27 residues pruned to eliminate duplicates Z: 7 6.363 1.785 -0.162 0.708 1.000 0.500 CB 1.437 7 residues pruned to eliminate duplicates Z: 18 10.812 1.890 0.409 0.372 0.882 0.412 CB 1.280 18 residues pruned to eliminate duplicates Z: 20 23.317 1.898 0.638 0.817 0.947 0.684 CB 1.378 20 residues pruned to eliminate duplicates Z: 10 18.159 1.967 0.623 0.906 1.000 0.778 CB 1.349 10 residues pruned to eliminate duplicates Z: 23 25.118 1.898 0.870 0.673 0.955 0.636 CB 1.347 23 residues pruned to eliminate duplicates Z: 33 31.530 2.092 0.754 0.647 0.906 0.625 CB 1.461 33 residues pruned to eliminate duplicates Z: 8 4.983 1.639 -0.093 0.512 1.000 0.714 CB 1.252 6 residues pruned to eliminate duplicates Z: 19 20.049 2.066 0.097 0.855 1.000 0.667 CB 1.539 19 residues pruned to eliminate duplicates Z: 9 20.909 1.856 1.230 0.909 1.000 0.500 CB 1.268 9 residues pruned to eliminate duplicates Z: 8 10.438 1.987 1.148 0.290 0.857 0.571 CA 1.364 8 residues pruned to eliminate duplicates Z: 7 3.635 1.526 0.954 0.515 0.833 0.833 N 0.589 Z: 9 12.217 1.957 0.283 0.656 1.000 0.625 N 1.488 9 residues pruned to eliminate duplicates Z: 7 4.794 1.613 0.254 0.610 0.667 0.500 CB 1.307 Z: 9 6.347 1.988 0.321 0.305 0.750 0.625 CB 1.415 9 residues pruned to eliminate duplicates Z: 19 19.950 1.914 0.968 0.572 0.944 0.667 CB 1.233 19 residues pruned to eliminate duplicates Z: 23 28.665 2.124 0.468 0.925 1.000 0.864 CB 1.375 23 residues pruned to eliminate duplicates Z: 12 14.084 2.137 0.512 0.527 0.818 0.727 CB 1.565 12 residues pruned to eliminate duplicates Z: 10 7.247 1.658 0.124 0.696 0.889 0.778 CB 1.219 10 residues pruned to eliminate duplicates Z: 7 3.198 1.456 0.239 0.282 0.833 0.333 CA 1.111 Z: 10 16.375 1.912 0.822 0.869 0.889 0.333 CB 1.288 10 residues pruned to eliminate duplicates Z: 13 7.485 1.671 0.544 0.310 0.917 0.417 CB 1.128 13 residues pruned to eliminate duplicates Z: 7 5.545 1.822 -0.191 0.687 0.833 0.833 O 1.552 9 residues pruned to eliminate duplicates Z: 29 24.288 1.956 0.690 0.659 0.857 0.679 CB 1.397 29 residues pruned to eliminate duplicates Z: 22 19.339 1.964 0.576 0.650 1.000 0.571 CB 1.186 22 residues pruned to eliminate duplicates Z: 40 34.641 2.174 0.846 0.586 0.897 0.564 CB 1.418 40 residues pruned to eliminate duplicates Z: 9 8.681 1.725 0.389 0.540 1.000 0.500 CB 1.231 7 residues pruned to eliminate duplicates Z: 12 18.470 2.168 0.814 0.661 0.909 0.818 CB 1.342 12 residues pruned to eliminate duplicates Z: 8 6.808 1.408 0.644 0.859 1.000 1.000 CB 0.818 8 residues pruned to eliminate duplicates Z: 6 2.764 1.675 0.232 0.466 0.600 0.600 CB 1.033 6 residues pruned to eliminate duplicates Z: 32 38.631 2.103 0.922 0.774 0.968 0.839 CB 1.393 32 residues pruned to eliminate duplicates Z: 9 7.026 1.718 -0.056 0.589 1.000 0.625 C 1.406 7 residues pruned to eliminate duplicates Z: 18 21.957 2.023 1.232 0.492 0.941 0.647 CB 1.263 18 residues pruned to eliminate duplicates Z: 10 4.091 1.560 1.004 0.215 0.778 0.667 CA 0.785 10 residues pruned to eliminate duplicates Z: 45 36.028 2.030 0.819 0.564 0.977 0.614 CB 1.415 45 residues pruned to eliminate duplicates Z: 8 5.650 1.757 -0.171 0.790 1.000 1.000 CB 1.136 8 residues pruned to eliminate duplicates Z: 29 22.082 2.080 0.675 0.412 0.893 0.536 CB 1.470 29 residues pruned to eliminate duplicates Z: 8 5.643 1.478 0.199 0.899 1.000 0.857 CB 0.860 8 residues pruned to eliminate duplicates Z: 29 25.876 2.094 0.745 0.391 0.964 0.607 CB 1.559 29 residues pruned to eliminate duplicates Z: 44 20.716 1.973 0.594 0.402 0.860 0.535 CB 1.293 44 residues pruned to eliminate duplicates 430 residues left after pruning, divided into chains as follows: A: 60 B: 6 C: 78 D: 45 E: 180 F: 61 CC for partial structure against native data = 44.52 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.501, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.586, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.714, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.735, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.754, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.762, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.770, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.773, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.776, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.778, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2219 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 535 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 92 54.470 2.237 0.668 0.539 0.945 0.615 CB 1.559 B: 63 47.093 2.278 0.685 0.559 0.903 0.661 CB 1.628 55 residues pruned to eliminate duplicates C: 18 32.802 2.329 0.523 0.894 0.941 0.588 CB 1.709 18 residues pruned to eliminate duplicates D: 63 41.795 2.190 0.595 0.528 0.952 0.613 CB 1.553 E: 18 31.977 2.354 0.382 0.897 0.941 0.824 CB 1.813 18 residues pruned to eliminate duplicates F: 17 31.473 2.391 0.462 0.899 0.875 0.688 CB 1.840 17 residues pruned to eliminate duplicates G: 62 50.694 2.340 0.716 0.573 0.918 0.656 CB 1.641 62 residues pruned to eliminate duplicates H: 11 20.722 2.220 0.806 0.695 0.900 0.800 CB 1.519 12 residues pruned to eliminate duplicates I: 20 32.036 2.314 0.376 0.897 1.000 0.789 CB 1.653 J: 24 45.591 2.476 0.996 0.559 1.000 0.739 CB 1.817 24 residues pruned to eliminate duplicates K: 26 42.686 2.234 0.882 0.932 0.960 0.840 CB 1.477 L: 19 32.377 2.297 0.429 0.868 1.000 0.500 CB 1.700 19 residues pruned to eliminate duplicates M: 38 31.568 2.140 0.608 0.475 1.000 0.568 CB 1.547 38 residues pruned to eliminate duplicates N: 18 31.363 2.330 0.431 0.874 0.941 0.706 CB 1.764 18 residues pruned to eliminate duplicates O: 26 33.543 2.214 0.885 0.539 0.960 0.680 CB 1.612 P: 19 29.838 2.281 0.301 0.895 0.944 0.722 CB 1.798 19 residues pruned to eliminate duplicates Q: 86 50.984 2.171 0.788 0.564 0.918 0.600 CB 1.460 27 residues pruned to eliminate duplicates R: 11 16.607 2.096 0.448 0.743 0.900 0.600 CB 1.547 11 residues pruned to eliminate duplicates S: 19 34.019 2.264 1.044 0.924 0.889 0.833 CB 1.368 19 residues pruned to eliminate duplicates T: 28 34.866 2.390 0.936 0.470 0.963 0.667 CB 1.553 22 residues pruned to eliminate duplicates U: 24 29.685 2.276 0.706 0.511 1.000 0.565 CB 1.578 26 residues pruned to eliminate duplicates V: 21 43.455 2.409 0.823 0.942 0.900 0.700 CB 1.704 W: 24 44.611 2.251 0.795 0.957 1.000 0.957 CB 1.580 X: 20 28.149 2.302 0.510 0.860 0.947 0.526 CB 1.442 20 residues pruned to eliminate duplicates Y: 10 17.516 2.043 0.366 0.899 1.000 0.889 CA 1.496 10 residues pruned to eliminate duplicates Z: 16 24.109 2.193 0.929 0.565 0.933 0.600 CB 1.480 Z: 20 34.369 2.275 0.582 0.846 0.947 0.789 CB 1.718 20 residues pruned to eliminate duplicates Z: 10 12.253 1.938 0.124 0.904 0.889 0.667 CA 1.502 10 residues pruned to eliminate duplicates Z: 10 21.505 2.118 0.636 0.906 1.000 0.778 CB 1.471 10 residues pruned to eliminate duplicates Z: 59 54.306 2.378 0.810 0.594 0.931 0.690 CB 1.627 64 residues pruned to eliminate duplicates Z: 10 15.663 2.045 0.675 0.632 1.000 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 26 38.891 2.233 0.790 0.923 0.960 0.800 CB 1.424 26 residues pruned to eliminate duplicates Z: 26 33.095 2.332 0.811 0.503 0.960 0.560 CB 1.628 26 residues pruned to eliminate duplicates Z: 17 40.089 2.320 0.627 0.921 1.000 0.750 CB 1.869 17 residues pruned to eliminate duplicates Z: 14 30.813 2.344 0.557 0.899 1.000 0.692 CA 1.674 12 residues pruned to eliminate duplicates Z: 24 36.312 2.271 0.466 0.942 1.000 0.957 CA 1.578 24 residues pruned to eliminate duplicates Z: 19 18.972 2.033 0.850 0.518 0.889 0.444 CB 1.314 9 residues pruned to eliminate duplicates Z: 24 36.933 2.173 0.705 0.938 0.957 0.826 CB 1.511 24 residues pruned to eliminate duplicates Z: 22 32.064 2.322 0.857 0.491 0.952 0.571 CB 1.720 22 residues pruned to eliminate duplicates Z: 47 32.004 2.066 0.745 0.496 0.935 0.522 CB 1.406 47 residues pruned to eliminate duplicates Z: 36 34.521 2.225 0.938 0.431 0.914 0.686 CB 1.589 36 residues pruned to eliminate duplicates Z: 27 25.460 2.072 0.459 0.910 1.000 0.885 CB 1.172 27 residues pruned to eliminate duplicates Z: 26 34.442 2.312 0.802 0.519 0.960 0.680 CB 1.690 26 residues pruned to eliminate duplicates Z: 45 38.971 2.185 0.620 0.655 0.932 0.705 CB 1.543 42 residues pruned to eliminate duplicates Z: 16 35.931 2.374 0.570 0.922 1.000 1.000 CB 1.752 16 residues pruned to eliminate duplicates Z: 21 27.634 2.247 0.494 0.845 0.900 0.700 CB 1.520 21 residues pruned to eliminate duplicates Z: 19 44.638 2.383 0.876 0.948 0.944 0.611 CB 1.721 18 residues pruned to eliminate duplicates Z: 63 45.492 2.179 0.629 0.599 0.952 0.726 CB 1.556 61 residues pruned to eliminate duplicates Z: 17 32.345 2.104 0.751 0.913 0.938 0.625 CB 1.657 15 residues pruned to eliminate duplicates Z: 25 54.304 2.347 1.172 0.946 0.958 0.625 CB 1.570 26 residues pruned to eliminate duplicates Z: 51 32.931 2.116 0.575 0.514 0.960 0.520 CB 1.436 51 residues pruned to eliminate duplicates Z: 26 39.621 2.222 0.585 0.940 1.000 0.840 CB 1.563 26 residues pruned to eliminate duplicates Z: 22 37.312 2.333 0.775 0.950 0.952 0.810 CB 1.423 22 residues pruned to eliminate duplicates Z: 27 25.667 2.249 0.803 0.465 0.885 0.615 CB 1.455 27 residues pruned to eliminate duplicates Z: 24 38.132 2.214 0.591 0.938 1.000 0.870 CB 1.571 24 residues pruned to eliminate duplicates Z: 15 41.697 2.459 0.907 0.943 0.929 0.500 CB 1.773 15 residues pruned to eliminate duplicates Z: 11 17.899 2.039 0.350 0.910 1.000 0.800 CB 1.458 11 residues pruned to eliminate duplicates Z: 61 45.435 2.219 0.692 0.570 0.917 0.667 CB 1.592 61 residues pruned to eliminate duplicates Z: 25 52.926 2.313 0.980 0.938 0.958 0.667 CB 1.712 25 residues pruned to eliminate duplicates Z: 25 56.163 2.335 1.080 0.935 0.958 0.625 CB 1.717 26 residues pruned to eliminate duplicates Z: 25 43.599 2.295 0.685 0.923 0.958 0.833 CA 1.688 25 residues pruned to eliminate duplicates Z: 20 33.442 2.342 0.401 0.875 1.000 0.789 CB 1.701 20 residues pruned to eliminate duplicates Z: 25 54.467 2.354 0.902 0.945 1.000 0.792 CA 1.718 25 residues pruned to eliminate duplicates Z: 65 53.274 2.345 0.738 0.561 0.953 0.641 CB 1.615 66 residues pruned to eliminate duplicates Z: 24 30.500 2.213 0.256 0.948 1.000 0.913 CB 1.580 24 residues pruned to eliminate duplicates Z: 57 45.627 2.322 0.627 0.548 0.946 0.607 CB 1.626 57 residues pruned to eliminate duplicates Z: 61 47.637 2.234 0.719 0.569 0.950 0.550 CB 1.577 62 residues pruned to eliminate duplicates Z: 53 32.584 2.049 0.683 0.501 0.904 0.538 CB 1.449 53 residues pruned to eliminate duplicates Z: 26 37.813 2.356 1.010 0.500 0.960 0.600 CB 1.663 26 residues pruned to eliminate duplicates Z: 10 16.263 1.865 0.832 0.899 1.000 0.778 CB 1.134 10 residues pruned to eliminate duplicates Z: 10 19.451 2.173 0.853 0.911 0.778 0.556 CB 1.467 10 residues pruned to eliminate duplicates Z: 31 27.175 2.074 0.736 0.486 0.967 0.633 CB 1.445 31 residues pruned to eliminate duplicates Z: 8 14.005 2.092 0.494 0.882 0.857 0.857 CB 1.430 8 residues pruned to eliminate duplicates Z: 104 66.215 2.298 0.831 0.596 0.893 0.524 CB 1.584 100 residues pruned to eliminate duplicates Z: 57 47.606 2.322 0.698 0.552 0.946 0.589 CB 1.621 57 residues pruned to eliminate duplicates Z: 9 17.666 2.151 0.564 0.884 1.000 0.625 CB 1.341 9 residues pruned to eliminate duplicates Z: 26 49.121 2.215 1.194 0.955 1.000 0.560 CB 1.389 26 residues pruned to eliminate duplicates Z: 51 41.770 2.171 0.779 0.505 1.000 0.540 CB 1.521 51 residues pruned to eliminate duplicates Z: 20 25.650 2.098 0.548 0.839 0.895 0.737 CA 1.512 20 residues pruned to eliminate duplicates Z: 45 38.956 2.247 0.783 0.580 0.909 0.659 CB 1.493 45 residues pruned to eliminate duplicates Z: 9 21.734 2.086 1.001 0.872 1.000 0.625 CB 1.342 9 residues pruned to eliminate duplicates Z: 12 23.879 2.422 0.431 0.914 1.000 0.909 CB 1.468 12 residues pruned to eliminate duplicates Z: 25 48.929 2.280 0.945 0.946 0.958 0.750 CB 1.625 25 residues pruned to eliminate duplicates Z: 24 58.716 2.404 1.020 0.959 1.000 0.478 CB 1.728 24 residues pruned to eliminate duplicates Z: 25 54.818 2.350 1.004 0.962 1.000 0.833 CB 1.625 25 residues pruned to eliminate duplicates Z: 17 31.900 2.187 0.652 0.896 1.000 0.812 CA 1.581 17 residues pruned to eliminate duplicates Z: 25 34.190 2.288 0.575 0.942 0.958 0.875 CB 1.401 25 residues pruned to eliminate duplicates Z: 25 51.967 2.318 0.949 0.920 1.000 0.750 CA 1.654 25 residues pruned to eliminate duplicates Z: 17 15.130 2.057 0.575 0.522 0.938 0.562 CB 1.219 17 residues pruned to eliminate duplicates Z: 26 34.498 2.200 0.840 0.535 1.000 0.720 CB 1.647 25 residues pruned to eliminate duplicates Z: 64 51.265 2.347 0.745 0.545 0.952 0.635 CB 1.584 64 residues pruned to eliminate duplicates Z: 21 32.856 2.210 0.703 0.859 1.000 0.650 CB 1.437 21 residues pruned to eliminate duplicates Z: 24 40.767 2.226 0.789 0.946 0.957 0.739 CB 1.544 24 residues pruned to eliminate duplicates Z: 26 52.334 2.245 0.914 0.913 1.000 0.480 CA 1.724 26 residues pruned to eliminate duplicates Z: 19 28.950 2.121 0.533 0.837 0.944 0.611 CB 1.662 19 residues pruned to eliminate duplicates Z: 24 36.233 2.178 0.527 0.953 1.000 0.826 CB 1.563 24 residues pruned to eliminate duplicates Z: 24 36.417 2.215 0.598 0.952 0.957 0.826 CB 1.545 24 residues pruned to eliminate duplicates Z: 17 25.470 2.133 0.580 0.832 0.938 0.812 CA 1.512 17 residues pruned to eliminate duplicates Z: 25 44.457 2.141 1.116 0.952 0.958 0.542 CB 1.440 24 residues pruned to eliminate duplicates Z: 24 43.080 2.220 0.811 0.948 1.000 0.957 CB 1.544 24 residues pruned to eliminate duplicates Z: 26 28.148 2.204 0.824 0.482 0.920 0.720 CB 1.550 26 residues pruned to eliminate duplicates Z: 6 15.092 2.033 0.465 0.858 1.000 0.600 CA 1.670 Z: 21 15.963 2.030 0.604 0.304 0.900 0.500 CB 1.515 21 residues pruned to eliminate duplicates Z: 9 17.693 1.887 0.881 0.757 1.000 1.000 CB 1.402 9 residues pruned to eliminate duplicates Z: 54 29.009 2.046 0.695 0.432 0.887 0.396 CB 1.391 54 residues pruned to eliminate duplicates Z: 47 28.876 2.042 0.622 0.480 0.935 0.565 CB 1.403 47 residues pruned to eliminate duplicates Z: 25 30.458 2.246 0.754 0.494 0.958 0.667 CB 1.657 25 residues pruned to eliminate duplicates Z: 24 51.316 2.208 1.165 0.954 1.000 0.348 CB 1.540 25 residues pruned to eliminate duplicates Z: 71 40.726 2.188 0.657 0.495 0.886 0.529 CB 1.523 71 residues pruned to eliminate duplicates Z: 10 20.601 2.164 0.520 0.917 1.000 0.778 CB 1.473 10 residues pruned to eliminate duplicates Z: 18 36.451 2.368 0.652 0.898 1.000 0.588 CB 1.616 18 residues pruned to eliminate duplicates Z: 10 14.075 1.907 0.534 0.891 0.889 0.778 CB 1.297 10 residues pruned to eliminate duplicates Z: 36 29.562 2.122 0.559 0.590 0.943 0.600 CB 1.470 36 residues pruned to eliminate duplicates Z: 25 30.238 2.147 0.336 0.940 1.000 0.875 CB 1.494 25 residues pruned to eliminate duplicates Z: 73 35.810 2.190 0.477 0.509 0.903 0.583 CB 1.433 73 residues pruned to eliminate duplicates Z: 20 33.560 2.340 0.470 0.846 1.000 0.737 CB 1.664 20 residues pruned to eliminate duplicates Z: 22 31.776 2.376 0.855 0.490 0.905 0.667 CB 1.756 22 residues pruned to eliminate duplicates Z: 44 30.321 2.053 0.657 0.512 0.953 0.605 CB 1.409 44 residues pruned to eliminate duplicates Z: 20 29.408 2.333 0.238 0.854 1.000 0.895 CB 1.725 20 residues pruned to eliminate duplicates Z: 14 20.235 2.360 0.546 0.433 1.000 0.615 CB 1.648 14 residues pruned to eliminate duplicates Z: 44 43.602 2.196 0.702 0.642 0.977 0.674 CB 1.595 44 residues pruned to eliminate duplicates Z: 64 51.728 2.323 0.763 0.577 0.968 0.635 CB 1.525 64 residues pruned to eliminate duplicates Z: 18 30.560 2.152 0.564 0.878 1.000 0.706 CB 1.599 18 residues pruned to eliminate duplicates Z: 26 23.889 2.158 0.817 0.420 0.880 0.600 CB 1.505 26 residues pruned to eliminate duplicates Z: 26 42.595 2.234 0.919 0.921 0.880 0.320 CB 1.590 26 residues pruned to eliminate duplicates Z: 26 52.448 2.244 1.095 0.939 1.000 0.720 CB 1.551 26 residues pruned to eliminate duplicates Z: 8 8.283 2.131 0.258 0.395 0.857 0.571 CB 1.522 8 residues pruned to eliminate duplicates Z: 21 15.888 1.986 0.758 0.372 0.900 0.700 CB 1.297 Z: 17 40.513 2.377 0.866 0.894 1.000 0.750 CB 1.638 17 residues pruned to eliminate duplicates Z: 16 30.883 2.349 0.758 0.925 0.933 0.800 CB 1.452 16 residues pruned to eliminate duplicates Z: 26 45.095 2.224 1.096 0.914 0.880 0.480 CB 1.555 26 residues pruned to eliminate duplicates Z: 24 38.616 2.318 0.572 0.934 1.000 0.826 CB 1.541 24 residues pruned to eliminate duplicates Z: 27 25.016 2.072 0.579 0.602 1.000 0.538 CB 1.360 27 residues pruned to eliminate duplicates Z: 17 21.746 2.040 0.797 0.906 0.875 0.625 CB 1.205 17 residues pruned to eliminate duplicates Z: 19 28.268 2.159 0.460 0.873 1.000 0.778 CB 1.540 19 residues pruned to eliminate duplicates Z: 25 39.753 2.174 0.924 0.904 0.917 0.583 CB 1.507 25 residues pruned to eliminate duplicates Z: 20 35.216 2.353 0.646 0.855 0.947 0.526 CB 1.625 20 residues pruned to eliminate duplicates Z: 16 37.023 2.396 0.764 0.931 1.000 0.933 CB 1.581 16 residues pruned to eliminate duplicates Z: 25 44.068 2.259 1.009 0.928 0.958 0.833 CB 1.449 25 residues pruned to eliminate duplicates Z: 23 29.825 2.354 0.693 0.469 0.955 0.682 CB 1.725 23 residues pruned to eliminate duplicates Z: 8 12.148 2.031 0.359 0.908 1.000 0.714 CB 1.182 8 residues pruned to eliminate duplicates Z: 25 40.614 2.259 0.891 0.913 0.958 0.792 CB 1.433 25 residues pruned to eliminate duplicates Z: 9 12.741 2.101 0.874 0.502 0.750 0.375 CB 1.522 10 residues pruned to eliminate duplicates Z: 19 29.384 2.146 0.605 0.876 0.833 0.667 CB 1.754 19 residues pruned to eliminate duplicates Z: 16 22.031 2.281 0.349 0.927 0.933 0.800 CB 1.389 16 residues pruned to eliminate duplicates Z: 60 56.133 2.357 0.747 0.601 0.949 0.695 CB 1.699 60 residues pruned to eliminate duplicates Z: 53 32.777 2.122 0.648 0.451 0.923 0.519 CB 1.481 54 residues pruned to eliminate duplicates Z: 44 18.361 1.875 0.523 0.465 0.860 0.465 CB 1.182 20 residues pruned to eliminate duplicates Z: 22 30.903 2.296 0.592 0.839 0.952 0.905 CB 1.447 22 residues pruned to eliminate duplicates Z: 11 23.697 2.021 0.832 0.894 0.900 0.600 CA 1.614 11 residues pruned to eliminate duplicates Z: 81 29.379 2.000 0.439 0.495 0.863 0.575 CB 1.330 73 residues pruned to eliminate duplicates Z: 45 34.541 2.135 0.786 0.513 0.886 0.523 CB 1.521 46 residues pruned to eliminate duplicates Z: 18 49.616 2.432 1.527 0.955 0.941 0.471 CB 1.430 18 residues pruned to eliminate duplicates Z: 10 18.972 2.047 0.557 0.901 1.000 0.778 CA 1.415 10 residues pruned to eliminate duplicates Z: 19 29.694 2.162 0.614 0.856 0.944 0.722 CA 1.566 19 residues pruned to eliminate duplicates Z: 41 35.234 2.130 0.770 0.531 0.950 0.575 CB 1.509 41 residues pruned to eliminate duplicates Z: 60 51.335 2.365 0.824 0.566 0.966 0.678 CB 1.504 60 residues pruned to eliminate duplicates Z: 26 41.801 2.364 1.164 0.520 0.960 0.680 CA 1.669 26 residues pruned to eliminate duplicates Z: 10 23.622 2.254 0.935 0.748 1.000 0.889 CB 1.446 9 residues pruned to eliminate duplicates Z: 89 61.903 2.233 0.955 0.607 0.909 0.455 CB 1.502 89 residues pruned to eliminate duplicates Z: 20 30.169 2.207 0.582 0.890 1.000 0.526 CB 1.426 20 residues pruned to eliminate duplicates Z: 26 26.015 2.233 0.621 0.454 0.920 0.600 CB 1.637 26 residues pruned to eliminate duplicates Z: 25 28.005 2.268 0.893 0.484 0.875 0.667 CB 1.546 25 residues pruned to eliminate duplicates Z: 27 35.637 2.354 0.752 0.518 0.962 0.615 CB 1.731 27 residues pruned to eliminate duplicates Z: 23 45.046 2.237 0.852 0.943 1.000 0.818 CB 1.606 23 residues pruned to eliminate duplicates Z: 9 23.659 2.081 0.984 0.909 1.000 0.750 CB 1.439 9 residues pruned to eliminate duplicates Z: 47 20.095 1.921 0.519 0.461 0.870 0.478 CB 1.215 45 residues pruned to eliminate duplicates Z: 38 31.486 2.141 0.727 0.531 0.973 0.595 CB 1.396 38 residues pruned to eliminate duplicates Z: 20 36.790 2.346 0.559 0.852 1.000 0.632 CB 1.706 20 residues pruned to eliminate duplicates Z: 12 9.900 1.962 0.433 0.601 0.818 0.636 CB 1.179 12 residues pruned to eliminate duplicates Z: 40 19.014 1.932 0.526 0.489 0.846 0.513 CB 1.234 40 residues pruned to eliminate duplicates Z: 14 29.849 2.332 0.957 0.915 0.923 0.538 CB 1.389 14 residues pruned to eliminate duplicates Z: 9 15.215 2.179 0.728 0.587 0.875 0.750 CB 1.502 9 residues pruned to eliminate duplicates Z: 20 26.767 2.139 0.532 0.825 0.947 0.579 CB 1.493 20 residues pruned to eliminate duplicates Z: 20 37.672 2.362 0.691 0.860 0.947 0.737 CB 1.679 20 residues pruned to eliminate duplicates Z: 21 26.500 2.024 0.602 0.804 0.950 0.500 CB 1.475 21 residues pruned to eliminate duplicates Z: 16 36.920 2.317 0.741 0.919 0.933 0.800 CB 1.785 16 residues pruned to eliminate duplicates Z: 20 30.115 2.311 0.507 0.851 0.947 0.684 CB 1.550 20 residues pruned to eliminate duplicates Z: 40 21.967 2.012 0.608 0.395 0.846 0.436 CB 1.436 40 residues pruned to eliminate duplicates Z: 61 53.182 2.246 0.714 0.621 0.967 0.800 CB 1.645 63 residues pruned to eliminate duplicates Z: 20 35.081 2.339 0.605 0.870 1.000 0.789 CB 1.565 20 residues pruned to eliminate duplicates Z: 46 21.032 1.891 0.516 0.480 0.867 0.511 CB 1.288 46 residues pruned to eliminate duplicates Z: 68 37.490 2.200 0.654 0.461 0.881 0.478 CB 1.487 68 residues pruned to eliminate duplicates Z: 16 36.438 2.369 0.638 0.898 1.000 0.733 CB 1.734 16 residues pruned to eliminate duplicates Z: 65 54.855 2.308 0.773 0.581 0.969 0.672 CB 1.599 65 residues pruned to eliminate duplicates Z: 43 18.717 1.881 0.623 0.462 0.833 0.476 CB 1.180 43 residues pruned to eliminate duplicates Z: 61 44.628 2.192 0.654 0.577 0.950 0.667 CB 1.553 61 residues pruned to eliminate duplicates Z: 17 39.165 2.386 0.587 0.926 1.000 0.688 CB 1.813 17 residues pruned to eliminate duplicates Z: 15 20.390 2.121 0.835 0.552 1.000 0.643 CB 1.331 15 residues pruned to eliminate duplicates Z: 38 31.877 2.066 0.724 0.540 0.973 0.622 CB 1.453 38 residues pruned to eliminate duplicates Z: 11 8.417 1.762 0.352 0.543 0.800 0.500 CA 1.339 11 residues pruned to eliminate duplicates Z: 9 8.660 1.840 0.861 0.390 0.875 0.750 CB 1.148 9 residues pruned to eliminate duplicates Z: 19 28.404 2.162 0.440 0.877 1.000 0.722 CB 1.561 19 residues pruned to eliminate duplicates Z: 28 24.072 2.159 0.820 0.393 0.815 0.481 CA 1.620 28 residues pruned to eliminate duplicates Z: 28 27.644 2.059 0.686 0.570 1.000 0.481 CB 1.432 28 residues pruned to eliminate duplicates Z: 24 59.461 2.353 1.514 0.959 0.957 0.652 CB 1.502 24 residues pruned to eliminate duplicates Z: 18 11.240 1.808 0.433 0.373 0.882 0.471 CB 1.366 16 residues pruned to eliminate duplicates Z: 40 28.425 2.057 0.642 0.532 0.923 0.513 CB 1.415 40 residues pruned to eliminate duplicates Z: 16 18.385 2.019 0.649 0.568 0.867 0.733 CB 1.540 16 residues pruned to eliminate duplicates Z: 53 20.659 1.895 0.545 0.452 0.865 0.481 CB 1.188 53 residues pruned to eliminate duplicates Z: 36 39.202 2.236 0.744 0.692 0.943 0.800 CB 1.512 33 residues pruned to eliminate duplicates Z: 24 48.497 2.230 1.087 0.957 0.957 0.522 CB 1.559 24 residues pruned to eliminate duplicates Z: 76 50.179 2.243 0.773 0.575 0.893 0.627 CB 1.517 76 residues pruned to eliminate duplicates Z: 62 43.982 2.327 0.618 0.556 0.934 0.607 CB 1.516 62 residues pruned to eliminate duplicates Z: 6 6.087 1.646 0.279 0.737 0.800 0.600 CA 1.307 6 residues pruned to eliminate duplicates Z: 23 40.623 2.228 0.884 0.941 0.955 0.682 CB 1.500 23 residues pruned to eliminate duplicates Z: 20 27.301 2.114 0.580 0.846 0.947 0.737 CB 1.470 20 residues pruned to eliminate duplicates Z: 25 63.346 2.329 1.278 0.942 1.000 0.458 CB 1.691 34 residues pruned to eliminate duplicates Z: 11 12.279 1.969 0.170 0.883 0.900 0.700 CA 1.354 11 residues pruned to eliminate duplicates Z: 51 35.045 2.146 0.750 0.488 0.920 0.580 CB 1.452 51 residues pruned to eliminate duplicates Z: 6 11.147 2.039 0.091 0.857 1.000 0.800 CA 1.651 Z: 11 11.473 2.046 0.328 0.704 0.800 0.300 CB 1.387 11 residues pruned to eliminate duplicates Z: 52 33.017 2.117 0.723 0.499 0.882 0.569 CB 1.437 52 residues pruned to eliminate duplicates Z: 19 32.501 2.315 0.729 0.897 0.944 0.556 CB 1.451 19 residues pruned to eliminate duplicates Z: 24 51.125 2.345 1.257 0.948 0.957 0.609 CB 1.455 24 residues pruned to eliminate duplicates Z: 99 48.951 2.189 0.716 0.556 0.878 0.531 CB 1.421 98 residues pruned to eliminate duplicates Z: 15 20.675 2.065 0.561 0.819 0.929 0.786 CA 1.400 15 residues pruned to eliminate duplicates Z: 29 31.189 2.105 0.861 0.500 0.964 0.679 CB 1.560 27 residues pruned to eliminate duplicates Z: 18 12.511 2.006 0.659 0.430 0.706 0.471 CB 1.389 18 residues pruned to eliminate duplicates Z: 24 36.528 2.215 0.550 0.947 1.000 0.913 CB 1.533 24 residues pruned to eliminate duplicates Z: 47 29.640 2.040 0.602 0.507 0.957 0.587 CB 1.388 47 residues pruned to eliminate duplicates Z: 24 44.852 2.329 0.931 0.958 0.957 0.739 CB 1.491 24 residues pruned to eliminate duplicates Z: 19 10.774 1.759 0.377 0.549 0.889 0.500 CB 1.125 19 residues pruned to eliminate duplicates Z: 24 53.242 2.323 1.351 0.952 0.957 0.609 CB 1.464 24 residues pruned to eliminate duplicates 6 1.779 1.577 0.008 0.410 0.800 0.600 CB 0.687 ? Z: 64 47.020 2.290 0.659 0.510 0.937 0.571 CB 1.649 64 residues pruned to eliminate duplicates Z: 26 52.552 2.201 1.410 0.954 0.960 0.320 CB 1.420 26 residues pruned to eliminate duplicates Z: 7 10.486 1.879 0.923 0.553 0.833 0.667 CB 1.350 7 residues pruned to eliminate duplicates Z: 9 6.010 1.701 -0.055 0.510 0.875 0.500 CB 1.496 Z: 56 33.230 2.072 0.798 0.496 0.855 0.564 CB 1.414 56 residues pruned to eliminate duplicates Z: 25 39.113 2.412 0.999 0.574 0.917 0.583 CB 1.681 25 residues pruned to eliminate duplicates Z: 12 12.723 1.717 1.001 0.505 0.909 0.545 CA 1.222 12 residues pruned to eliminate duplicates Z: 40 26.962 2.063 0.591 0.492 0.897 0.487 CB 1.478 40 residues pruned to eliminate duplicates Z: 66 51.849 2.301 0.754 0.577 0.938 0.646 CB 1.576 66 residues pruned to eliminate duplicates Z: 11 7.174 1.854 0.276 0.477 0.900 0.700 CB 1.091 Z: 20 22.046 2.108 0.438 0.819 0.895 0.474 CB 1.414 20 residues pruned to eliminate duplicates Z: 26 28.192 2.090 0.213 0.945 1.000 0.880 CA 1.540 26 residues pruned to eliminate duplicates Z: 10 21.420 2.109 0.599 0.890 1.000 0.778 CB 1.523 10 residues pruned to eliminate duplicates Z: 27 42.019 2.152 1.035 0.938 0.923 0.654 CB 1.418 27 residues pruned to eliminate duplicates Z: 52 35.221 2.142 0.782 0.471 0.902 0.451 CB 1.475 52 residues pruned to eliminate duplicates Z: 29 15.637 1.830 0.394 0.519 0.929 0.464 CB 1.224 29 residues pruned to eliminate duplicates Z: 6 5.235 1.845 0.364 0.776 1.000 0.600 CB 0.729 6 residues pruned to eliminate duplicates Z: 82 41.644 2.032 0.519 0.647 0.926 0.679 CB 1.411 74 residues pruned to eliminate duplicates Z: 50 39.997 2.228 0.665 0.593 0.939 0.673 CB 1.501 50 residues pruned to eliminate duplicates Z: 23 52.954 2.236 1.373 0.957 0.955 0.273 CB 1.531 23 residues pruned to eliminate duplicates Z: 25 42.480 2.203 0.837 0.943 1.000 0.792 CB 1.484 25 residues pruned to eliminate duplicates Z: 45 28.076 2.077 0.557 0.482 0.932 0.523 CB 1.430 45 residues pruned to eliminate duplicates Z: 23 41.690 2.324 1.169 0.941 0.773 0.364 CB 1.584 23 residues pruned to eliminate duplicates Z: 33 24.481 2.022 0.611 0.549 0.938 0.562 CB 1.351 33 residues pruned to eliminate duplicates Z: 20 26.061 2.027 0.711 0.783 0.947 0.684 CA 1.419 20 residues pruned to eliminate duplicates Z: 25 32.760 2.292 0.821 0.509 0.958 0.625 CB 1.657 25 residues pruned to eliminate duplicates Z: 14 28.675 2.324 0.951 0.914 0.923 0.846 CB 1.344 14 residues pruned to eliminate duplicates Z: 22 39.218 2.212 1.026 0.911 0.905 0.667 CB 1.496 22 residues pruned to eliminate duplicates Z: 8 2.589 1.831 0.403 0.324 0.571 0.429 CB 0.809 8 residues pruned to eliminate duplicates Z: 38 35.099 2.233 0.612 0.632 0.919 0.676 CB 1.541 38 residues pruned to eliminate duplicates Z: 19 33.897 2.279 0.430 0.909 1.000 0.722 CB 1.740 19 residues pruned to eliminate duplicates Z: 40 29.063 2.034 0.744 0.520 0.949 0.590 CB 1.356 40 residues pruned to eliminate duplicates Z: 14 18.468 2.166 0.855 0.569 0.846 0.769 CB 1.410 14 residues pruned to eliminate duplicates Z: 39 28.209 2.109 0.657 0.550 0.921 0.526 CB 1.354 39 residues pruned to eliminate duplicates Z: 34 33.183 2.092 0.608 0.739 0.939 0.727 CB 1.475 34 residues pruned to eliminate duplicates Z: 25 10.457 1.678 0.334 0.545 0.833 0.417 CB 1.095 25 residues pruned to eliminate duplicates Z: 57 50.633 2.303 0.790 0.542 0.964 0.661 CB 1.634 57 residues pruned to eliminate duplicates Z: 9 6.283 1.728 0.611 0.300 0.875 0.500 N 1.139 Z: 42 28.876 2.056 0.598 0.487 0.951 0.463 CB 1.461 42 residues pruned to eliminate duplicates Z: 11 17.134 1.953 0.780 0.843 0.900 0.600 CB 1.290 11 residues pruned to eliminate duplicates Z: 40 30.316 2.073 0.600 0.578 0.974 0.641 CB 1.393 40 residues pruned to eliminate duplicates Z: 41 37.294 2.260 0.574 0.657 0.900 0.700 CB 1.592 41 residues pruned to eliminate duplicates Z: 10 19.128 2.132 0.332 0.924 1.000 1.000 CB 1.576 10 residues pruned to eliminate duplicates Z: 52 26.953 2.059 0.587 0.480 0.863 0.490 CB 1.365 52 residues pruned to eliminate duplicates Z: 14 14.505 1.896 0.360 0.811 0.923 0.615 CA 1.288 14 residues pruned to eliminate duplicates Z: 19 29.361 2.340 0.392 0.901 0.944 0.778 CB 1.606 19 residues pruned to eliminate duplicates Z: 20 40.398 2.430 0.647 0.943 0.947 0.789 CB 1.694 20 residues pruned to eliminate duplicates Z: 24 38.065 2.333 0.394 0.944 1.000 0.826 CB 1.690 24 residues pruned to eliminate duplicates Z: 27 45.044 2.137 1.299 0.918 0.923 0.423 CB 1.373 27 residues pruned to eliminate duplicates Z: 44 23.808 2.046 0.517 0.477 0.860 0.512 CB 1.391 44 residues pruned to eliminate duplicates Z: 24 44.781 2.233 1.107 0.937 0.913 0.348 CB 1.513 24 residues pruned to eliminate duplicates Z: 34 30.495 2.090 0.792 0.567 0.970 0.606 CB 1.370 34 residues pruned to eliminate duplicates Z: 13 5.867 1.655 0.377 0.293 0.833 0.500 CB 1.125 13 residues pruned to eliminate duplicates Z: 50 28.805 2.034 0.631 0.472 0.939 0.510 CB 1.359 50 residues pruned to eliminate duplicates Z: 27 34.047 2.289 0.990 0.507 0.885 0.692 CB 1.645 27 residues pruned to eliminate duplicates Z: 13 14.755 2.179 0.414 0.531 0.917 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 12 22.205 2.267 0.773 0.553 1.000 0.727 CB 1.582 12 residues pruned to eliminate duplicates Z: 47 27.685 2.043 0.596 0.520 0.913 0.587 CB 1.344 47 residues pruned to eliminate duplicates Z: 39 40.674 2.225 0.790 0.674 0.947 0.684 CB 1.490 39 residues pruned to eliminate duplicates Z: 14 14.737 1.992 0.381 0.526 0.923 0.692 CB 1.568 14 residues pruned to eliminate duplicates Z: 53 31.579 2.053 0.666 0.467 0.942 0.519 CB 1.405 53 residues pruned to eliminate duplicates Z: 40 48.134 2.269 1.094 0.674 0.923 0.436 CB 1.497 40 residues pruned to eliminate duplicates Z: 10 7.500 1.837 0.321 0.369 0.889 0.778 CA 1.335 Z: 23 31.585 2.210 0.337 0.933 1.000 0.955 CB 1.591 23 residues pruned to eliminate duplicates Z: 18 19.558 2.293 0.435 0.397 0.941 0.529 CA 1.708 18 residues pruned to eliminate duplicates Z: 41 39.191 2.249 0.995 0.662 0.850 0.400 CB 1.399 41 residues pruned to eliminate duplicates 6 1.868 1.387 0.704 0.709 1.000 0.400 CB 0.292 ? Z: 16 32.872 2.345 0.587 0.925 1.000 0.933 CA 1.600 16 residues pruned to eliminate duplicates Z: 42 35.091 2.213 0.832 0.570 0.902 0.537 CB 1.400 42 residues pruned to eliminate duplicates Z: 78 32.012 2.000 0.579 0.506 0.883 0.584 CB 1.300 78 residues pruned to eliminate duplicates Z: 29 22.527 2.177 0.960 0.487 0.821 0.500 CB 1.230 29 residues pruned to eliminate duplicates Z: 8 5.218 1.832 0.626 0.723 0.857 0.714 CB 0.631 Z: 28 23.254 2.055 0.846 0.406 0.889 0.519 CB 1.464 28 residues pruned to eliminate duplicates Z: 25 35.446 2.295 0.440 0.901 0.917 0.875 CA 1.705 25 residues pruned to eliminate duplicates Z: 6 6.432 1.820 -0.060 0.744 1.000 0.400 N 1.351 Z: 24 51.663 2.230 1.242 0.952 1.000 0.739 CB 1.484 24 residues pruned to eliminate duplicates Z: 62 55.703 2.347 0.661 0.632 0.967 0.689 CB 1.670 62 residues pruned to eliminate duplicates Z: 11 10.994 1.818 1.110 0.585 0.800 0.700 CB 1.044 11 residues pruned to eliminate duplicates Z: 31 33.196 2.084 0.598 0.771 0.933 0.733 CB 1.534 31 residues pruned to eliminate duplicates Z: 37 32.536 2.188 0.536 0.704 0.944 0.750 CB 1.419 37 residues pruned to eliminate duplicates Z: 24 36.246 2.233 0.581 0.910 1.000 0.783 CA 1.518 24 residues pruned to eliminate duplicates Z: 7 3.263 1.542 0.052 0.500 0.833 0.500 CB 0.985 Z: 6 5.515 1.531 0.104 0.679 1.000 1.000 O 1.238 Z: 36 25.925 2.003 0.712 0.486 0.914 0.571 CB 1.418 36 residues pruned to eliminate duplicates Z: 25 49.990 2.272 1.370 0.936 0.917 0.542 CB 1.440 25 residues pruned to eliminate duplicates Z: 9 10.665 1.983 0.324 0.676 1.000 0.625 CB 1.222 9 residues pruned to eliminate duplicates Z: 16 13.654 1.993 0.803 0.450 0.800 0.533 CB 1.290 16 residues pruned to eliminate duplicates Z: 45 30.971 2.080 0.641 0.533 0.932 0.523 CB 1.421 45 residues pruned to eliminate duplicates Z: 21 15.500 2.018 0.496 0.428 0.900 0.350 CB 1.376 21 residues pruned to eliminate duplicates Z: 33 27.923 1.998 0.632 0.547 0.969 0.625 CB 1.492 33 residues pruned to eliminate duplicates Z: 12 12.578 2.186 0.513 0.515 0.818 0.727 CB 1.381 12 residues pruned to eliminate duplicates Z: 15 13.257 2.117 0.546 0.546 0.786 0.714 CB 1.317 15 residues pruned to eliminate duplicates Z: 25 20.999 2.197 0.451 0.608 0.917 0.500 CB 1.323 25 residues pruned to eliminate duplicates Z: 27 14.998 1.833 0.546 0.531 0.885 0.615 CB 1.138 27 residues pruned to eliminate duplicates Z: 10 26.366 2.102 0.892 0.915 1.000 0.667 CB 1.563 10 residues pruned to eliminate duplicates Z: 8 3.798 1.418 0.712 0.315 0.714 0.429 N 1.015 Z: 19 26.058 2.083 0.665 0.816 0.889 0.667 CB 1.514 19 residues pruned to eliminate duplicates Z: 8 4.295 1.785 -0.181 0.532 0.857 0.714 CB 1.254 Z: 12 6.980 1.937 0.563 0.295 0.818 0.273 CB 1.069 12 residues pruned to eliminate duplicates Z: 52 31.700 2.102 0.679 0.458 0.922 0.510 CB 1.425 52 residues pruned to eliminate duplicates Z: 38 30.661 2.080 0.734 0.557 0.946 0.405 CB 1.398 38 residues pruned to eliminate duplicates Z: 47 45.002 2.246 1.045 0.607 0.848 0.478 CB 1.539 42 residues pruned to eliminate duplicates Z: 10 26.437 2.161 0.984 0.922 1.000 0.778 CB 1.445 10 residues pruned to eliminate duplicates Z: 17 37.494 2.371 0.744 0.924 1.000 0.812 CB 1.591 17 residues pruned to eliminate duplicates Z: 8 6.106 1.780 0.927 0.184 0.714 0.286 CB 1.377 8 residues pruned to eliminate duplicates Z: 84 52.654 2.185 0.785 0.595 0.916 0.687 CB 1.478 84 residues pruned to eliminate duplicates 6 1.444 1.471 0.029 0.300 0.600 0.400 CB 0.889 ? Z: 15 10.325 2.055 0.263 0.417 0.929 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 37 27.121 2.090 0.700 0.512 0.917 0.472 CB 1.371 37 residues pruned to eliminate duplicates Z: 9 12.258 1.999 0.376 0.901 0.875 0.875 CB 1.285 9 residues pruned to eliminate duplicates Z: 15 14.960 2.028 0.583 0.523 1.000 0.714 CB 1.217 15 residues pruned to eliminate duplicates Z: 26 28.373 2.210 0.626 0.795 0.880 0.680 CB 1.386 26 residues pruned to eliminate duplicates Z: 62 32.443 1.984 0.623 0.491 0.918 0.508 CB 1.417 62 residues pruned to eliminate duplicates Z: 10 20.481 1.990 0.754 0.911 1.000 0.667 CB 1.386 10 residues pruned to eliminate duplicates Z: 20 20.098 2.127 0.661 0.398 1.000 0.526 CB 1.452 20 residues pruned to eliminate duplicates Z: 17 37.777 2.359 0.482 0.921 1.000 0.875 CA 1.902 17 residues pruned to eliminate duplicates Z: 10 13.357 1.908 0.541 0.865 1.000 1.000 CB 1.109 10 residues pruned to eliminate duplicates Z: 18 23.496 2.176 0.446 0.901 1.000 0.765 CB 1.292 18 residues pruned to eliminate duplicates Z: 17 28.305 2.198 0.644 0.904 1.000 0.750 CB 1.395 17 residues pruned to eliminate duplicates Z: 48 30.785 2.070 0.634 0.516 0.936 0.511 CB 1.397 48 residues pruned to eliminate duplicates Z: 6 5.156 1.912 0.640 0.608 0.800 0.600 CB 0.830 Z: 20 25.863 2.133 0.425 0.832 0.947 0.737 CA 1.546 20 residues pruned to eliminate duplicates Z: 9 5.077 1.677 0.279 0.612 0.750 0.625 CB 1.004 Z: 13 8.601 1.933 0.351 0.444 0.833 0.417 CB 1.209 13 residues pruned to eliminate duplicates Z: 42 19.488 1.929 0.442 0.476 0.878 0.439 CB 1.277 42 residues pruned to eliminate duplicates Z: 18 23.147 2.269 0.274 0.878 0.941 0.353 CB 1.497 18 residues pruned to eliminate duplicates Z: 24 37.932 2.342 1.065 0.532 0.957 0.652 CB 1.657 24 residues pruned to eliminate duplicates Z: 8 4.731 1.641 -0.235 0.796 1.000 0.714 CB 1.099 Z: 54 38.919 2.094 0.736 0.578 0.925 0.585 CB 1.475 54 residues pruned to eliminate duplicates Z: 11 13.630 2.098 0.782 0.480 1.000 0.900 CB 1.177 11 residues pruned to eliminate duplicates Z: 7 5.779 1.736 -0.278 0.736 1.000 0.667 C 1.522 9 residues pruned to eliminate duplicates Z: 92 50.019 2.229 0.696 0.547 0.879 0.571 CB 1.507 92 residues pruned to eliminate duplicates Z: 49 27.398 2.039 0.628 0.481 0.896 0.646 CB 1.356 49 residues pruned to eliminate duplicates Z: 63 47.161 2.223 0.678 0.593 0.952 0.661 CB 1.543 64 residues pruned to eliminate duplicates Z: 14 13.588 1.943 0.669 0.535 0.846 0.615 CB 1.327 14 residues pruned to eliminate duplicates Z: 36 50.022 2.272 1.109 0.721 0.914 0.514 CB 1.580 36 residues pruned to eliminate duplicates Z: 48 28.467 2.044 0.460 0.603 0.894 0.681 CB 1.412 48 residues pruned to eliminate duplicates Z: 18 38.738 2.298 0.752 0.899 1.000 0.824 CB 1.669 18 residues pruned to eliminate duplicates 8 1.945 1.538 -0.032 0.210 0.714 0.286 CB 0.974 ? Z: 54 30.530 2.119 0.578 0.467 0.887 0.585 CB 1.463 54 residues pruned to eliminate duplicates Z: 51 34.296 2.132 0.660 0.487 0.940 0.580 CB 1.476 51 residues pruned to eliminate duplicates Z: 7 5.204 1.504 0.408 0.713 1.000 0.667 CB 0.827 Z: 94 59.352 2.190 0.912 0.576 0.935 0.591 CB 1.461 94 residues pruned to eliminate duplicates Z: 9 8.404 1.748 0.541 0.308 0.875 0.625 CA 1.560 9 residues pruned to eliminate duplicates Z: 61 35.315 2.094 0.636 0.444 0.950 0.700 CB 1.483 61 residues pruned to eliminate duplicates 6 1.237 1.145 0.675 0.298 0.800 0.600 C 0.452 ? Z: 76 49.776 2.240 0.803 0.565 0.893 0.600 CB 1.496 76 residues pruned to eliminate duplicates Z: 83 47.102 2.184 0.721 0.577 0.902 0.585 CB 1.424 83 residues pruned to eliminate duplicates Z: 25 55.641 2.327 1.245 0.946 1.000 0.792 CB 1.503 25 residues pruned to eliminate duplicates Z: 9 10.840 1.673 0.281 0.718 1.000 0.625 CB 1.468 9 residues pruned to eliminate duplicates Z: 42 22.815 1.981 0.581 0.467 0.927 0.585 CB 1.270 42 residues pruned to eliminate duplicates Z: 12 15.777 1.778 0.910 0.553 0.909 0.636 C 1.463 12 residues pruned to eliminate duplicates Z: 23 39.819 2.229 0.860 0.939 0.955 0.455 CB 1.491 23 residues pruned to eliminate duplicates Z: 22 12.950 1.757 0.387 0.609 0.905 0.524 CB 1.156 22 residues pruned to eliminate duplicates Z: 8 8.226 1.833 0.412 0.659 0.857 0.714 CB 1.210 Z: 30 12.329 1.779 0.617 0.324 0.828 0.448 CB 1.167 30 residues pruned to eliminate duplicates Z: 9 3.910 1.729 -0.245 0.538 0.750 0.500 CB 1.360 9 residues pruned to eliminate duplicates Z: 86 49.787 2.198 0.640 0.543 0.941 0.659 CB 1.526 86 residues pruned to eliminate duplicates Z: 17 18.092 1.985 0.736 0.478 0.875 0.688 CB 1.534 17 residues pruned to eliminate duplicates Z: 48 27.562 2.067 0.594 0.427 0.915 0.553 CB 1.438 48 residues pruned to eliminate duplicates Z: 22 21.975 1.971 0.675 0.710 1.000 0.571 CB 1.200 22 residues pruned to eliminate duplicates Z: 7 8.541 1.437 0.648 0.842 1.000 1.000 CB 1.097 7 residues pruned to eliminate duplicates Z: 62 39.751 2.175 0.629 0.577 0.885 0.623 CB 1.507 62 residues pruned to eliminate duplicates Z: 18 36.463 2.299 0.446 0.928 1.000 0.882 CB 1.863 18 residues pruned to eliminate duplicates Z: 9 5.107 1.720 0.210 0.472 0.875 0.500 CA 1.020 9 residues pruned to eliminate duplicates Z: 6 7.531 1.743 0.642 0.685 0.800 0.800 CA 1.241 6 residues pruned to eliminate duplicates Z: 24 36.237 2.299 0.477 0.932 0.957 0.783 CB 1.624 24 residues pruned to eliminate duplicates 8 1.018 1.169 -0.038 0.323 0.714 0.429 CB 0.582 ? Z: 39 20.182 1.956 0.530 0.453 0.921 0.605 CB 1.247 39 residues pruned to eliminate duplicates Z: 7 2.879 1.540 -0.161 0.640 0.667 0.667 CB 1.197 8 residues pruned to eliminate duplicates Z: 8 4.320 1.623 0.306 0.318 0.714 0.429 CB 1.318 Z: 16 12.051 1.828 0.922 0.579 0.733 0.200 CB 1.119 16 residues pruned to eliminate duplicates Z: 15 24.958 2.181 0.981 0.550 1.000 0.786 CB 1.470 15 residues pruned to eliminate duplicates Z: 13 24.857 2.075 1.091 0.921 0.833 0.250 CB 1.397 13 residues pruned to eliminate duplicates Z: 29 25.456 2.120 0.713 0.462 0.929 0.607 CB 1.482 29 residues pruned to eliminate duplicates Z: 41 20.947 1.944 0.545 0.457 0.925 0.525 CB 1.245 41 residues pruned to eliminate duplicates 7 1.489 1.811 0.396 0.677 1.000 0.833 CB 0.204 ? Z: 29 14.910 1.961 0.309 0.499 0.786 0.571 CB 1.399 29 residues pruned to eliminate duplicates Z: 18 40.914 2.389 0.876 0.863 1.000 0.765 CB 1.624 18 residues pruned to eliminate duplicates Z: 7 8.211 1.781 0.060 0.781 1.000 0.833 C 1.386 7 residues pruned to eliminate duplicates Z: 12 3.608 1.572 0.444 0.239 0.727 0.364 CB 0.892 12 residues pruned to eliminate duplicates Z: 8 4.551 1.450 0.177 0.850 1.000 1.000 CB 0.746 8 residues pruned to eliminate duplicates Z: 45 39.785 2.211 0.678 0.636 0.932 0.727 CB 1.526 45 residues pruned to eliminate duplicates Z: 7 5.459 1.653 0.621 0.397 0.833 0.500 CA 1.112 Z: 73 43.921 2.196 0.768 0.494 0.903 0.500 CB 1.485 73 residues pruned to eliminate duplicates Z: 43 31.275 2.055 0.594 0.590 0.905 0.595 CB 1.494 43 residues pruned to eliminate duplicates Z: 77 46.794 2.166 0.628 0.559 0.947 0.618 CB 1.518 77 residues pruned to eliminate duplicates Z: 42 25.205 2.033 0.486 0.580 0.854 0.585 CB 1.414 42 residues pruned to eliminate duplicates Z: 9 3.273 1.522 -0.189 0.519 0.750 0.625 O 1.228 Z: 11 4.246 1.574 0.395 0.241 0.800 0.400 CB 1.032 11 residues pruned to eliminate duplicates Z: 9 17.946 2.047 0.672 0.893 1.000 1.000 CB 1.331 9 residues pruned to eliminate duplicates Z: 19 14.246 1.973 0.748 0.390 0.778 0.500 CB 1.406 19 residues pruned to eliminate duplicates Z: 10 10.428 1.904 0.672 0.464 0.889 0.778 CA 1.274 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 51 43.451 2.221 0.669 0.631 0.940 0.740 CB 1.559 51 residues pruned to eliminate duplicates Z: 40 35.761 2.159 0.633 0.660 0.949 0.744 CB 1.476 40 residues pruned to eliminate duplicates Z: 22 26.967 2.171 0.695 0.609 0.952 0.571 CA 1.514 22 residues pruned to eliminate duplicates Z: 62 49.557 2.225 0.691 0.595 0.967 0.689 CB 1.592 62 residues pruned to eliminate duplicates Z: 39 34.762 2.159 0.575 0.652 0.947 0.658 CB 1.520 39 residues pruned to eliminate duplicates Z: 68 44.130 2.152 0.571 0.541 0.970 0.657 CB 1.580 68 residues pruned to eliminate duplicates Z: 22 21.577 2.192 0.401 0.553 0.952 0.429 CA 1.529 22 residues pruned to eliminate duplicates Z: 50 42.080 2.236 0.637 0.619 0.939 0.694 CB 1.563 50 residues pruned to eliminate duplicates Z: 31 36.893 2.163 0.644 0.734 0.967 0.667 CB 1.588 31 residues pruned to eliminate duplicates Z: 36 33.178 2.156 0.636 0.631 0.914 0.600 CB 1.537 36 residues pruned to eliminate duplicates Z: 60 45.305 2.186 0.684 0.575 0.983 0.712 CB 1.516 60 residues pruned to eliminate duplicates Z: 61 48.669 2.196 0.764 0.599 0.950 0.633 CB 1.554 61 residues pruned to eliminate duplicates Z: 64 38.647 2.128 0.584 0.550 0.921 0.587 CB 1.494 64 residues pruned to eliminate duplicates Z: 60 42.988 2.214 0.633 0.531 0.949 0.644 CB 1.582 60 residues pruned to eliminate duplicates Z: 61 46.966 2.217 0.650 0.584 0.967 0.733 CB 1.582 61 residues pruned to eliminate duplicates Z: 54 47.470 2.277 0.628 0.578 0.962 0.660 CB 1.695 54 residues pruned to eliminate duplicates Z: 42 33.640 2.141 0.604 0.625 0.951 0.683 CB 1.429 42 residues pruned to eliminate duplicates Z: 76 44.410 2.161 0.599 0.535 0.947 0.627 CB 1.515 76 residues pruned to eliminate duplicates Z: 40 34.255 2.131 0.639 0.639 0.949 0.641 CB 1.453 40 residues pruned to eliminate duplicates Z: 43 31.103 2.129 0.518 0.610 0.952 0.619 CB 1.404 43 residues pruned to eliminate duplicates Z: 46 35.057 2.086 0.628 0.612 0.933 0.578 CB 1.483 46 residues pruned to eliminate duplicates Z: 59 44.700 2.236 0.657 0.548 0.948 0.638 CB 1.595 59 residues pruned to eliminate duplicates Z: 60 44.712 2.225 0.625 0.570 0.966 0.627 CB 1.557 60 residues pruned to eliminate duplicates Z: 58 48.724 2.247 0.668 0.600 0.982 0.632 CB 1.593 58 residues pruned to eliminate duplicates Z: 60 42.156 2.176 0.721 0.541 0.932 0.678 CB 1.510 60 residues pruned to eliminate duplicates Z: 60 43.521 2.242 0.541 0.559 0.983 0.678 CB 1.576 60 residues pruned to eliminate duplicates Z: 62 48.200 2.228 0.625 0.585 0.984 0.590 CB 1.597 62 residues pruned to eliminate duplicates Z: 55 48.629 2.242 0.696 0.586 0.981 0.630 CB 1.633 55 residues pruned to eliminate duplicates Z: 44 38.416 2.126 0.660 0.619 0.977 0.605 CB 1.518 44 residues pruned to eliminate duplicates Z: 61 52.586 2.261 0.735 0.605 0.967 0.683 CB 1.621 61 residues pruned to eliminate duplicates Z: 28 28.871 2.301 0.684 0.461 0.926 0.556 CB 1.612 28 residues pruned to eliminate duplicates Z: 59 47.009 2.244 0.651 0.581 0.966 0.672 CB 1.597 59 residues pruned to eliminate duplicates Z: 58 46.969 2.245 0.670 0.602 0.965 0.632 CB 1.561 58 residues pruned to eliminate duplicates Z: 20 18.372 2.299 0.603 0.408 0.789 0.579 CB 1.596 20 residues pruned to eliminate duplicates Z: 57 46.420 2.241 0.679 0.570 0.964 0.643 CB 1.597 57 residues pruned to eliminate duplicates Z: 80 46.267 2.120 0.811 0.562 0.899 0.557 CB 1.421 80 residues pruned to eliminate duplicates Z: 22 25.688 2.337 0.589 0.470 0.905 0.619 CB 1.720 22 residues pruned to eliminate duplicates Z: 25 26.576 2.280 0.606 0.473 0.917 0.500 CB 1.661 25 residues pruned to eliminate duplicates Z: 45 34.462 2.163 0.655 0.523 0.977 0.614 CB 1.451 45 residues pruned to eliminate duplicates Z: 24 28.049 2.281 0.661 0.459 0.957 0.565 CB 1.683 24 residues pruned to eliminate duplicates Z: 22 31.082 2.305 0.692 0.511 1.000 0.619 CB 1.719 22 residues pruned to eliminate duplicates Z: 57 45.723 2.250 0.622 0.563 0.964 0.696 CB 1.633 57 residues pruned to eliminate duplicates Z: 25 35.849 2.338 0.710 0.517 1.000 0.667 CB 1.799 25 residues pruned to eliminate duplicates Z: 62 43.455 2.220 0.606 0.587 0.918 0.689 CB 1.565 62 residues pruned to eliminate duplicates Z: 25 30.808 2.323 0.704 0.458 0.958 0.583 CA 1.731 25 residues pruned to eliminate duplicates Z: 23 25.843 2.273 0.829 0.402 0.909 0.636 CB 1.616 23 residues pruned to eliminate duplicates Z: 24 20.197 2.203 0.653 0.397 0.826 0.565 CB 1.560 24 residues pruned to eliminate duplicates Z: 23 32.061 2.420 0.699 0.446 0.955 0.636 CB 1.840 23 residues pruned to eliminate duplicates Z: 25 28.788 2.167 0.938 0.422 0.958 0.708 CB 1.585 25 residues pruned to eliminate duplicates Z: 27 31.449 2.262 0.736 0.503 0.962 0.731 CB 1.630 27 residues pruned to eliminate duplicates Z: 48 37.848 2.138 0.818 0.542 0.957 0.660 CB 1.424 48 residues pruned to eliminate duplicates Z: 24 30.924 2.308 0.685 0.534 0.957 0.696 CB 1.675 24 residues pruned to eliminate duplicates Z: 33 15.910 1.880 0.614 0.424 0.812 0.469 CB 1.235 33 residues pruned to eliminate duplicates Z: 43 29.546 2.175 0.614 0.468 0.905 0.595 CB 1.483 33 residues pruned to eliminate duplicates Z: 6 9.510 2.007 0.209 0.832 0.800 0.800 CA 1.645 6 residues pruned to eliminate duplicates Z: 52 45.341 2.216 1.017 0.538 0.922 0.490 CB 1.486 67 residues pruned to eliminate duplicates Z: 13 9.614 2.120 0.530 0.353 0.667 0.333 CB 1.505 13 residues pruned to eliminate duplicates Z: 8 7.601 1.901 0.625 0.493 0.714 0.714 CB 1.312 8 residues pruned to eliminate duplicates Z: 6 5.180 1.678 0.442 0.693 0.800 0.400 CB 1.003 6 residues pruned to eliminate duplicates Z: 7 7.015 1.669 0.474 0.735 1.000 0.167 CB 0.942 7 residues pruned to eliminate duplicates Z: 9 8.523 1.532 0.806 0.859 1.000 0.375 CB 0.802 9 residues pruned to eliminate duplicates Z: 38 21.589 1.945 0.668 0.480 0.919 0.568 CB 1.215 38 residues pruned to eliminate duplicates Z: 87 34.550 1.996 0.594 0.519 0.884 0.605 CB 1.300 87 residues pruned to eliminate duplicates Z: 46 20.787 1.933 0.598 0.460 0.867 0.422 CB 1.206 46 residues pruned to eliminate duplicates Z: 46 21.734 1.949 0.520 0.474 0.933 0.578 CB 1.203 46 residues pruned to eliminate duplicates Z: 34 19.161 1.897 0.561 0.503 0.909 0.545 CB 1.236 34 residues pruned to eliminate duplicates Z: 41 18.648 1.942 0.475 0.452 0.900 0.475 CB 1.202 41 residues pruned to eliminate duplicates Z: 37 22.272 1.961 0.585 0.479 0.944 0.611 CB 1.291 37 residues pruned to eliminate duplicates Z: 44 21.641 1.905 0.521 0.489 0.930 0.535 CB 1.238 44 residues pruned to eliminate duplicates Z: 54 21.706 1.989 0.547 0.423 0.849 0.472 CB 1.237 54 residues pruned to eliminate duplicates Z: 48 18.906 1.874 0.481 0.456 0.809 0.468 CB 1.285 48 residues pruned to eliminate duplicates Z: 70 34.565 2.007 0.635 0.521 0.942 0.652 CB 1.318 42 residues pruned to eliminate duplicates Z: 6 4.071 1.654 0.433 0.287 0.800 0.600 CA 1.220 6 residues pruned to eliminate duplicates Z: 86 34.168 1.973 0.467 0.542 0.906 0.565 CB 1.356 86 residues pruned to eliminate duplicates Z: 49 21.492 1.918 0.494 0.462 0.917 0.521 CB 1.228 49 residues pruned to eliminate duplicates Z: 81 36.426 2.054 0.570 0.528 0.900 0.600 CB 1.365 81 residues pruned to eliminate duplicates Z: 34 19.882 1.872 0.665 0.478 0.939 0.606 CB 1.209 34 residues pruned to eliminate duplicates Z: 42 22.738 1.967 0.553 0.453 0.927 0.537 CB 1.317 42 residues pruned to eliminate duplicates Z: 34 21.559 1.968 0.695 0.481 0.909 0.667 CB 1.261 34 residues pruned to eliminate duplicates Z: 43 21.816 1.947 0.589 0.485 0.881 0.571 CB 1.254 43 residues pruned to eliminate duplicates Z: 82 37.336 2.033 0.640 0.537 0.889 0.568 CB 1.351 82 residues pruned to eliminate duplicates Z: 47 21.132 1.922 0.491 0.465 0.913 0.522 CB 1.234 47 residues pruned to eliminate duplicates Z: 20 14.399 2.032 0.562 0.401 0.842 0.474 CB 1.371 20 residues pruned to eliminate duplicates Z: 45 23.262 1.923 0.623 0.505 0.909 0.386 CB 1.229 45 residues pruned to eliminate duplicates Z: 44 20.611 1.927 0.500 0.452 0.907 0.372 CB 1.259 44 residues pruned to eliminate duplicates Z: 37 21.028 1.932 0.604 0.482 0.917 0.500 CB 1.256 37 residues pruned to eliminate duplicates Z: 103 42.890 2.052 0.613 0.497 0.902 0.520 CB 1.426 103 residues pruned to eliminate duplicates Z: 39 22.560 1.949 0.640 0.511 0.895 0.526 CB 1.266 39 residues pruned to eliminate duplicates Z: 73 36.859 2.055 0.669 0.543 0.889 0.611 CB 1.366 73 residues pruned to eliminate duplicates Z: 42 18.563 1.896 0.469 0.471 0.878 0.561 CB 1.221 42 residues pruned to eliminate duplicates Z: 48 18.872 1.893 0.497 0.421 0.851 0.511 CB 1.239 48 residues pruned to eliminate duplicates Z: 40 18.772 1.943 0.433 0.428 0.897 0.462 CB 1.297 40 residues pruned to eliminate duplicates Z: 79 33.340 1.971 0.529 0.539 0.897 0.603 CB 1.343 79 residues pruned to eliminate duplicates Z: 48 23.316 1.926 0.517 0.522 0.872 0.596 CB 1.305 48 residues pruned to eliminate duplicates Z: 48 24.378 1.948 0.584 0.482 0.936 0.596 CB 1.254 48 residues pruned to eliminate duplicates Z: 11 9.410 1.842 0.584 0.381 0.900 0.600 CB 1.287 11 residues pruned to eliminate duplicates Z: 42 20.644 1.946 0.582 0.461 0.878 0.537 CB 1.241 42 residues pruned to eliminate duplicates Z: 47 27.400 1.990 0.485 0.590 0.913 0.739 CB 1.373 47 residues pruned to eliminate duplicates Z: 96 51.723 2.159 0.624 0.606 0.916 0.705 CB 1.494 96 residues pruned to eliminate duplicates Z: 40 37.109 2.161 0.724 0.625 0.949 0.667 CB 1.494 40 residues pruned to eliminate duplicates Z: 97 52.143 2.136 0.631 0.603 0.917 0.708 CB 1.511 97 residues pruned to eliminate duplicates Z: 88 38.984 1.998 0.620 0.570 0.897 0.609 CB 1.346 88 residues pruned to eliminate duplicates Z: 33 28.537 2.145 0.715 0.564 0.906 0.688 CB 1.422 33 residues pruned to eliminate duplicates Z: 48 29.753 2.073 0.569 0.575 0.894 0.681 CB 1.389 48 residues pruned to eliminate duplicates Z: 31 33.338 2.140 0.655 0.736 0.967 0.733 CB 1.439 31 residues pruned to eliminate duplicates Z: 51 27.298 2.040 0.458 0.554 0.900 0.700 CB 1.369 51 residues pruned to eliminate duplicates Z: 101 51.534 2.154 0.561 0.598 0.940 0.720 CB 1.485 101 residues pruned to eliminate duplicates Z: 27 34.740 2.213 0.488 0.831 0.962 0.885 CB 1.616 27 residues pruned to eliminate duplicates Z: 54 34.082 2.067 0.593 0.596 0.906 0.660 CB 1.432 54 residues pruned to eliminate duplicates Z: 29 34.072 2.143 0.593 0.784 0.929 0.786 CB 1.581 29 residues pruned to eliminate duplicates Z: 48 30.406 2.072 0.541 0.588 0.894 0.596 CB 1.428 48 residues pruned to eliminate duplicates Z: 54 35.495 2.107 0.611 0.599 0.925 0.698 CB 1.413 54 residues pruned to eliminate duplicates Z: 46 31.527 2.148 0.722 0.569 0.844 0.711 CB 1.408 46 residues pruned to eliminate duplicates Z: 37 26.982 2.114 0.671 0.522 0.889 0.667 CB 1.401 37 residues pruned to eliminate duplicates Z: 39 37.775 2.177 0.801 0.633 0.921 0.737 CB 1.497 39 residues pruned to eliminate duplicates Z: 87 47.031 2.104 0.644 0.611 0.907 0.616 CB 1.455 87 residues pruned to eliminate duplicates Z: 49 35.288 2.089 0.751 0.605 0.917 0.646 CB 1.375 49 residues pruned to eliminate duplicates Z: 106 54.964 2.128 0.727 0.586 0.933 0.590 CB 1.440 106 residues pruned to eliminate duplicates Z: 47 33.404 2.091 0.816 0.588 0.848 0.500 CB 1.407 47 residues pruned to eliminate duplicates Z: 55 36.813 2.067 0.812 0.581 0.889 0.519 CB 1.392 55 residues pruned to eliminate duplicates Z: 36 33.296 2.042 0.863 0.705 0.914 0.457 CB 1.342 36 residues pruned to eliminate duplicates Z: 40 35.714 2.110 0.902 0.660 0.872 0.590 CB 1.409 40 residues pruned to eliminate duplicates Z: 46 36.874 2.113 0.919 0.602 0.889 0.533 CB 1.384 46 residues pruned to eliminate duplicates Z: 39 39.210 2.183 0.949 0.642 0.921 0.605 CB 1.421 39 residues pruned to eliminate duplicates Z: 39 40.844 2.177 1.034 0.647 0.895 0.500 CB 1.458 39 residues pruned to eliminate duplicates Z: 40 37.900 2.113 1.009 0.643 0.872 0.385 CB 1.435 40 residues pruned to eliminate duplicates Z: 63 39.763 2.093 0.878 0.581 0.871 0.532 CB 1.365 63 residues pruned to eliminate duplicates Z: 46 37.033 2.086 0.882 0.606 0.911 0.444 CB 1.396 46 residues pruned to eliminate duplicates Z: 15 25.986 2.047 0.933 0.788 0.929 0.571 CB 1.468 15 residues pruned to eliminate duplicates Z: 107 60.620 2.151 0.790 0.579 0.934 0.557 CB 1.517 107 residues pruned to eliminate duplicates Z: 13 6.112 1.835 0.878 0.241 0.667 0.333 CB 1.037 13 residues pruned to eliminate duplicates Z: 13 3.878 1.846 0.371 0.250 0.667 0.167 CB 0.885 13 residues pruned to eliminate duplicates Z: 57 39.418 2.260 0.683 0.592 0.893 0.625 CB 1.420 57 residues pruned to eliminate duplicates Z: 56 31.569 2.214 0.585 0.552 0.818 0.636 CB 1.410 56 residues pruned to eliminate duplicates Z: 46 43.538 2.311 0.736 0.626 0.933 0.689 CB 1.539 46 residues pruned to eliminate duplicates Z: 32 32.839 2.311 0.716 0.592 0.903 0.645 CB 1.508 32 residues pruned to eliminate duplicates Z: 32 39.843 2.360 0.857 0.671 0.935 0.742 CB 1.490 32 residues pruned to eliminate duplicates Z: 92 48.922 2.216 0.681 0.568 0.879 0.637 CB 1.466 92 residues pruned to eliminate duplicates Z: 39 37.390 2.269 0.706 0.644 0.921 0.711 CB 1.488 39 residues pruned to eliminate duplicates Z: 31 21.430 2.204 0.655 0.490 0.800 0.500 CB 1.355 31 residues pruned to eliminate duplicates Z: 76 41.473 2.181 0.681 0.539 0.867 0.587 CB 1.450 76 residues pruned to eliminate duplicates Z: 39 35.685 2.284 0.692 0.652 0.895 0.684 CB 1.454 39 residues pruned to eliminate duplicates Z: 37 39.901 2.282 0.731 0.718 0.917 0.750 CB 1.508 37 residues pruned to eliminate duplicates Z: 107 56.618 2.274 0.659 0.548 0.906 0.632 CB 1.536 107 residues pruned to eliminate duplicates Z: 59 37.789 2.212 0.600 0.582 0.879 0.638 CB 1.474 59 residues pruned to eliminate duplicates Z: 30 33.703 2.361 0.728 0.603 0.897 0.690 CB 1.551 30 residues pruned to eliminate duplicates Z: 63 42.182 2.223 0.635 0.582 0.935 0.677 CB 1.456 63 residues pruned to eliminate duplicates Z: 31 42.207 2.372 0.959 0.657 0.933 0.733 CB 1.535 31 residues pruned to eliminate duplicates Z: 80 54.909 2.264 0.703 0.658 0.924 0.658 CB 1.498 80 residues pruned to eliminate duplicates Z: 32 32.769 2.304 0.806 0.632 0.871 0.645 CB 1.435 32 residues pruned to eliminate duplicates Z: 93 53.767 2.190 0.737 0.567 0.935 0.641 CB 1.477 93 residues pruned to eliminate duplicates Z: 76 46.713 2.211 0.725 0.568 0.907 0.613 CB 1.460 76 residues pruned to eliminate duplicates Z: 22 40.384 2.420 0.737 0.860 1.000 0.857 CB 1.542 22 residues pruned to eliminate duplicates Z: 48 37.570 2.259 0.650 0.608 0.915 0.660 CB 1.450 48 residues pruned to eliminate duplicates Z: 34 35.998 2.310 0.873 0.615 0.939 0.697 CB 1.383 34 residues pruned to eliminate duplicates Z: 32 41.113 2.350 1.032 0.633 0.903 0.613 CB 1.511 32 residues pruned to eliminate duplicates Z: 40 42.212 2.251 0.950 0.637 0.923 0.590 CB 1.467 40 residues pruned to eliminate duplicates Z: 44 40.870 2.227 0.892 0.621 0.953 0.605 CB 1.383 44 residues pruned to eliminate duplicates Z: 27 49.062 2.395 1.345 0.765 0.923 0.538 CB 1.467 27 residues pruned to eliminate duplicates Z: 78 51.300 2.226 0.852 0.571 0.896 0.597 CB 1.477 78 residues pruned to eliminate duplicates Z: 37 41.912 2.306 1.090 0.631 0.889 0.528 CB 1.441 37 residues pruned to eliminate duplicates Z: 90 60.685 2.244 0.894 0.578 0.921 0.528 CB 1.523 90 residues pruned to eliminate duplicates Z: 15 15.223 2.049 0.540 0.518 0.857 0.714 CB 1.478 15 residues pruned to eliminate duplicates Z: 37 44.213 2.206 1.092 0.670 0.972 0.500 CB 1.404 37 residues pruned to eliminate duplicates Z: 48 46.602 2.268 1.068 0.582 0.894 0.468 CB 1.499 48 residues pruned to eliminate duplicates Z: 131 65.532 2.217 0.798 0.582 0.900 0.531 CB 1.480 131 residues pruned to eliminate duplicates Z: 92 57.908 2.220 0.888 0.565 0.912 0.462 CB 1.491 92 residues pruned to eliminate duplicates Z: 63 49.564 2.237 0.989 0.571 0.903 0.516 CB 1.462 63 residues pruned to eliminate duplicates Z: 87 48.401 2.173 0.783 0.502 0.907 0.453 CB 1.482 87 residues pruned to eliminate duplicates Z: 47 46.567 2.265 0.989 0.601 0.913 0.457 CB 1.517 47 residues pruned to eliminate duplicates Z: 92 59.509 2.239 0.876 0.564 0.923 0.505 CB 1.511 92 residues pruned to eliminate duplicates Z: 50 51.911 2.327 1.092 0.643 0.898 0.429 CB 1.484 50 residues pruned to eliminate duplicates Z: 49 45.564 2.251 1.020 0.609 0.896 0.562 CB 1.456 49 residues pruned to eliminate duplicates Z: 44 39.280 2.228 0.663 0.622 0.930 0.651 CB 1.548 44 residues pruned to eliminate duplicates Z: 82 57.494 2.279 0.683 0.615 0.938 0.556 CB 1.592 82 residues pruned to eliminate duplicates Z: 42 36.999 2.166 0.601 0.637 0.951 0.683 CB 1.541 42 residues pruned to eliminate duplicates Z: 15 24.563 2.176 0.948 0.587 0.929 0.714 CB 1.535 15 residues pruned to eliminate duplicates Z: 64 48.239 2.285 0.616 0.578 0.937 0.635 CB 1.630 64 residues pruned to eliminate duplicates Z: 14 22.590 2.262 0.727 0.575 1.000 0.769 CB 1.491 14 residues pruned to eliminate duplicates Z: 146 63.609 2.193 0.616 0.559 0.924 0.607 CB 1.523 146 residues pruned to eliminate duplicates Z: 46 35.342 2.170 0.639 0.571 0.933 0.689 CB 1.483 46 residues pruned to eliminate duplicates Z: 62 48.308 2.212 0.754 0.560 0.902 0.689 CB 1.668 62 residues pruned to eliminate duplicates Z: 61 46.809 2.274 0.777 0.544 0.900 0.633 CB 1.592 61 residues pruned to eliminate duplicates Z: 41 39.228 2.250 0.667 0.627 0.925 0.625 CB 1.587 41 residues pruned to eliminate duplicates Z: 41 40.390 2.232 0.683 0.668 0.975 0.800 CB 1.493 41 residues pruned to eliminate duplicates Z: 67 51.710 2.290 0.756 0.579 0.909 0.621 CB 1.614 67 residues pruned to eliminate duplicates Z: 42 37.220 2.208 0.568 0.611 0.976 0.634 CB 1.549 42 residues pruned to eliminate duplicates Z: 7 15.043 2.410 0.247 0.717 1.000 1.000 CA 1.679 7 residues pruned to eliminate duplicates Z: 63 48.691 2.316 0.619 0.535 0.968 0.645 CB 1.646 63 residues pruned to eliminate duplicates Z: 60 46.772 2.283 0.698 0.532 0.966 0.644 CB 1.576 60 residues pruned to eliminate duplicates Z: 113 56.258 2.216 0.627 0.534 0.946 0.607 CB 1.506 113 residues pruned to eliminate duplicates Z: 45 43.458 2.373 0.623 0.568 0.955 0.682 CB 1.669 45 residues pruned to eliminate duplicates Z: 99 56.144 2.234 0.705 0.546 0.939 0.561 CB 1.516 99 residues pruned to eliminate duplicates Z: 98 54.681 2.214 0.675 0.534 0.959 0.557 CB 1.511 98 residues pruned to eliminate duplicates Z: 42 43.665 2.289 0.732 0.612 0.976 0.537 CB 1.586 42 residues pruned to eliminate duplicates Z: 40 39.604 2.290 0.623 0.639 0.949 0.667 CB 1.580 40 residues pruned to eliminate duplicates Z: 37 38.464 2.265 0.738 0.641 0.944 0.528 CB 1.511 37 residues pruned to eliminate duplicates Z: 65 49.963 2.286 0.688 0.562 0.969 0.641 CB 1.573 65 residues pruned to eliminate duplicates Z: 62 35.933 2.108 0.690 0.528 0.885 0.574 CB 1.419 62 residues pruned to eliminate duplicates Z: 32 41.991 2.333 0.695 0.707 0.968 0.839 CB 1.633 32 residues pruned to eliminate duplicates Z: 42 39.949 2.235 0.741 0.607 0.951 0.732 CB 1.523 42 residues pruned to eliminate duplicates Z: 62 50.726 2.272 0.772 0.535 0.934 0.574 CB 1.668 62 residues pruned to eliminate duplicates Z: 62 45.164 2.304 0.748 0.523 0.885 0.623 CB 1.586 62 residues pruned to eliminate duplicates Z: 60 51.985 2.315 0.635 0.570 0.966 0.695 CB 1.730 60 residues pruned to eliminate duplicates Z: 6 6.848 1.939 0.940 0.233 0.800 0.600 CB 1.389 6 residues pruned to eliminate duplicates Z: 51 43.092 2.352 0.590 0.565 0.920 0.680 CB 1.662 51 residues pruned to eliminate duplicates Z: 62 47.910 2.334 0.594 0.556 0.951 0.656 CB 1.642 62 residues pruned to eliminate duplicates Z: 63 53.742 2.362 0.669 0.565 0.968 0.661 CB 1.680 63 residues pruned to eliminate duplicates Z: 75 42.427 2.223 0.560 0.482 0.946 0.527 CB 1.531 75 residues pruned to eliminate duplicates Z: 63 50.866 2.335 0.703 0.560 0.919 0.661 CB 1.667 63 residues pruned to eliminate duplicates Z: 51 46.761 2.353 0.659 0.575 0.940 0.640 CB 1.677 51 residues pruned to eliminate duplicates Z: 45 28.052 2.067 0.549 0.526 0.909 0.523 CB 1.417 45 residues pruned to eliminate duplicates Z: 24 31.990 2.417 0.829 0.433 0.913 0.652 CB 1.770 24 residues pruned to eliminate duplicates Z: 65 38.122 2.156 0.689 0.482 0.891 0.609 CB 1.497 65 residues pruned to eliminate duplicates Z: 62 56.194 2.363 0.757 0.567 0.984 0.639 CB 1.651 62 residues pruned to eliminate duplicates Z: 21 33.520 2.521 0.818 0.445 0.900 0.550 CB 1.922 21 residues pruned to eliminate duplicates Z: 72 60.166 2.339 0.900 0.550 0.944 0.507 CB 1.621 72 residues pruned to eliminate duplicates Z: 24 30.517 2.355 0.784 0.424 0.913 0.696 CB 1.796 24 residues pruned to eliminate duplicates Z: 60 43.154 2.230 0.726 0.499 0.966 0.576 CB 1.513 60 residues pruned to eliminate duplicates Z: 26 29.392 2.263 0.760 0.453 0.920 0.560 CA 1.684 26 residues pruned to eliminate duplicates Z: 47 30.932 2.056 0.678 0.495 0.957 0.565 CB 1.388 47 residues pruned to eliminate duplicates Z: 22 30.688 2.327 1.008 0.448 0.952 0.619 CB 1.586 22 residues pruned to eliminate duplicates Z: 67 41.653 2.196 0.697 0.514 0.939 0.515 CB 1.445 67 residues pruned to eliminate duplicates Z: 43 30.651 2.129 0.684 0.496 0.905 0.500 CB 1.463 43 residues pruned to eliminate duplicates Z: 64 40.910 2.214 0.635 0.515 0.937 0.587 CB 1.497 64 residues pruned to eliminate duplicates Z: 47 31.463 2.056 0.700 0.504 0.935 0.587 CB 1.414 47 residues pruned to eliminate duplicates Z: 25 37.199 2.438 0.940 0.517 0.958 0.708 CB 1.647 25 residues pruned to eliminate duplicates Z: 66 49.484 2.289 0.707 0.579 0.892 0.662 CB 1.632 66 residues pruned to eliminate duplicates Z: 11 10.986 2.006 0.647 0.550 0.800 0.500 CB 1.252 11 residues pruned to eliminate duplicates Z: 118 55.439 2.194 0.645 0.525 0.932 0.615 CB 1.486 118 residues pruned to eliminate duplicates Z: 68 43.078 2.205 0.736 0.506 0.925 0.537 CB 1.477 68 residues pruned to eliminate duplicates Z: 84 40.275 2.069 0.660 0.500 0.928 0.506 CB 1.388 84 residues pruned to eliminate duplicates Z: 38 27.180 2.046 0.644 0.539 0.946 0.459 CB 1.351 38 residues pruned to eliminate duplicates Z: 68 38.713 2.185 0.586 0.458 0.910 0.522 CB 1.565 68 residues pruned to eliminate duplicates Z: 141 71.273 2.267 0.721 0.573 0.929 0.607 CB 1.550 141 residues pruned to eliminate duplicates Z: 39 26.856 2.066 0.560 0.539 0.947 0.474 CB 1.373 39 residues pruned to eliminate duplicates Z: 45 31.729 2.102 0.635 0.495 0.977 0.432 CB 1.431 45 residues pruned to eliminate duplicates Z: 52 27.098 2.053 0.590 0.458 0.882 0.392 CB 1.376 52 residues pruned to eliminate duplicates Z: 47 29.134 2.061 0.665 0.486 0.913 0.457 CB 1.391 47 residues pruned to eliminate duplicates Z: 46 29.360 2.057 0.634 0.500 0.933 0.467 CB 1.396 46 residues pruned to eliminate duplicates Z: 40 28.915 2.038 0.807 0.527 0.897 0.513 CB 1.365 40 residues pruned to eliminate duplicates Z: 44 29.801 2.071 0.628 0.540 0.930 0.488 CB 1.394 44 residues pruned to eliminate duplicates Z: 23 21.378 2.002 0.687 0.635 0.909 0.545 CB 1.308 23 residues pruned to eliminate duplicates Z: 85 44.459 2.147 0.687 0.516 0.905 0.655 CB 1.457 85 residues pruned to eliminate duplicates Z: 31 27.532 2.068 0.676 0.564 0.967 0.633 CB 1.410 31 residues pruned to eliminate duplicates Z: 37 24.180 2.039 0.599 0.454 0.917 0.500 CB 1.413 37 residues pruned to eliminate duplicates Z: 46 29.335 2.041 0.628 0.489 0.978 0.511 CB 1.361 46 residues pruned to eliminate duplicates Z: 39 27.450 2.099 0.679 0.516 0.921 0.526 CB 1.350 39 residues pruned to eliminate duplicates Z: 46 27.574 2.071 0.598 0.504 0.889 0.511 CB 1.392 46 residues pruned to eliminate duplicates Z: 47 28.461 2.032 0.642 0.528 0.913 0.587 CB 1.339 47 residues pruned to eliminate duplicates Z: 41 25.967 2.071 0.577 0.439 0.925 0.500 CB 1.447 41 residues pruned to eliminate duplicates Z: 39 31.017 2.108 0.673 0.558 0.974 0.579 CB 1.385 39 residues pruned to eliminate duplicates Z: 39 28.165 2.100 0.645 0.541 0.921 0.579 CB 1.379 39 residues pruned to eliminate duplicates Z: 55 29.833 2.090 0.626 0.473 0.907 0.537 CB 1.354 55 residues pruned to eliminate duplicates Z: 41 25.172 2.064 0.585 0.423 0.900 0.450 CB 1.464 41 residues pruned to eliminate duplicates Z: 52 26.141 2.058 0.584 0.450 0.882 0.471 CB 1.339 52 residues pruned to eliminate duplicates Z: 52 27.621 2.042 0.669 0.469 0.882 0.510 CB 1.327 52 residues pruned to eliminate duplicates Z: 37 24.623 2.063 0.588 0.471 0.889 0.444 CB 1.451 37 residues pruned to eliminate duplicates Z: 52 30.608 2.072 0.680 0.471 0.922 0.373 CB 1.376 52 residues pruned to eliminate duplicates Z: 52 29.112 2.058 0.635 0.474 0.902 0.569 CB 1.378 52 residues pruned to eliminate duplicates Z: 25 10.727 1.956 0.546 0.321 0.750 0.458 CB 1.176 25 residues pruned to eliminate duplicates Z: 39 30.761 2.063 0.730 0.515 0.947 0.526 CB 1.454 39 residues pruned to eliminate duplicates Z: 30 18.102 2.037 0.466 0.397 0.897 0.379 CB 1.400 30 residues pruned to eliminate duplicates Z: 46 30.260 2.060 0.664 0.487 0.933 0.533 CB 1.430 46 residues pruned to eliminate duplicates Z: 81 45.781 2.153 0.630 0.543 0.925 0.575 CB 1.512 81 residues pruned to eliminate duplicates Z: 49 31.633 2.055 0.788 0.465 0.938 0.500 CB 1.374 49 residues pruned to eliminate duplicates Z: 17 15.897 2.011 0.820 0.397 0.875 0.438 CB 1.384 17 residues pruned to eliminate duplicates Z: 61 42.294 2.164 0.844 0.508 0.900 0.500 CB 1.507 61 residues pruned to eliminate duplicates Z: 44 24.365 2.019 0.536 0.443 0.907 0.465 CB 1.400 44 residues pruned to eliminate duplicates Z: 16 16.390 2.075 0.742 0.416 0.933 0.600 CB 1.369 16 residues pruned to eliminate duplicates Z: 82 48.766 2.200 0.799 0.552 0.877 0.531 CB 1.484 82 residues pruned to eliminate duplicates Z: 49 33.395 2.089 0.658 0.494 0.958 0.479 CB 1.461 49 residues pruned to eliminate duplicates Z: 46 28.624 2.052 0.615 0.459 0.889 0.444 CB 1.511 46 residues pruned to eliminate duplicates Z: 46 41.099 2.297 0.796 0.614 0.844 0.689 CB 1.578 46 residues pruned to eliminate duplicates Z: 38 34.702 2.239 0.724 0.650 0.865 0.730 CB 1.487 38 residues pruned to eliminate duplicates Z: 15 6.257 1.969 0.444 0.199 0.714 0.429 CB 1.179 15 residues pruned to eliminate duplicates Z: 56 46.918 2.277 0.838 0.576 0.909 0.655 CB 1.545 56 residues pruned to eliminate duplicates Z: 54 43.456 2.277 0.749 0.625 0.887 0.679 CB 1.501 54 residues pruned to eliminate duplicates Z: 47 40.927 2.300 0.726 0.595 0.891 0.652 CB 1.557 47 residues pruned to eliminate duplicates Z: 26 49.287 2.431 0.969 0.778 0.960 0.800 CB 1.678 26 residues pruned to eliminate duplicates Z: 53 42.191 2.281 0.546 0.641 0.923 0.692 CB 1.576 53 residues pruned to eliminate duplicates Z: 45 42.667 2.312 0.764 0.615 0.909 0.636 CB 1.556 45 residues pruned to eliminate duplicates Z: 32 36.327 2.307 0.970 0.625 0.839 0.710 CB 1.521 32 residues pruned to eliminate duplicates Z: 37 42.337 2.265 0.868 0.675 0.889 0.750 CB 1.596 37 residues pruned to eliminate duplicates Z: 47 41.129 2.217 0.867 0.586 0.870 0.609 CB 1.551 47 residues pruned to eliminate duplicates Z: 35 45.160 2.359 0.871 0.702 0.912 0.676 CB 1.601 35 residues pruned to eliminate duplicates Z: 31 50.307 2.421 1.140 0.697 0.933 0.600 CB 1.588 31 residues pruned to eliminate duplicates Z: 100 58.456 2.226 0.860 0.565 0.889 0.535 CB 1.499 100 residues pruned to eliminate duplicates Z: 36 41.377 2.270 0.996 0.624 0.914 0.629 CB 1.502 36 residues pruned to eliminate duplicates Z: 57 42.897 2.241 0.780 0.586 0.893 0.589 CB 1.482 57 residues pruned to eliminate duplicates Z: 41 39.107 2.252 0.951 0.624 0.825 0.650 CB 1.517 41 residues pruned to eliminate duplicates Z: 47 50.862 2.317 0.963 0.656 0.891 0.609 CB 1.600 47 residues pruned to eliminate duplicates Z: 47 46.133 2.292 1.015 0.603 0.826 0.543 CB 1.617 47 residues pruned to eliminate duplicates Z: 52 42.222 2.218 0.867 0.543 0.882 0.431 CB 1.551 52 residues pruned to eliminate duplicates Z: 42 47.633 2.267 0.979 0.644 0.902 0.415 CB 1.606 42 residues pruned to eliminate duplicates Z: 82 64.989 2.297 0.948 0.644 0.901 0.519 CB 1.565 82 residues pruned to eliminate duplicates Z: 49 47.970 2.268 0.987 0.549 0.958 0.438 CB 1.528 49 residues pruned to eliminate duplicates Z: 60 44.928 2.156 0.833 0.530 0.915 0.424 CB 1.571 71 residues pruned to eliminate duplicates Z: 90 56.452 2.214 0.856 0.560 0.910 0.449 CB 1.509 90 residues pruned to eliminate duplicates Z: 50 47.422 2.225 1.022 0.603 0.898 0.531 CB 1.521 50 residues pruned to eliminate duplicates Z: 53 38.233 2.141 0.881 0.497 0.846 0.519 CB 1.561 53 residues pruned to eliminate duplicates Z: 40 44.614 2.252 1.089 0.622 0.872 0.538 CB 1.551 40 residues pruned to eliminate duplicates Z: 81 53.673 2.161 0.951 0.591 0.925 0.475 CB 1.411 81 residues pruned to eliminate duplicates Z: 36 51.683 2.326 1.141 0.685 0.914 0.343 CB 1.619 36 residues pruned to eliminate duplicates Z: 86 53.396 2.192 0.881 0.544 0.906 0.435 CB 1.485 86 residues pruned to eliminate duplicates Z: 39 44.960 2.182 1.113 0.649 0.921 0.395 CB 1.495 39 residues pruned to eliminate duplicates Z: 32 51.554 2.247 1.256 0.761 0.903 0.387 CB 1.604 32 residues pruned to eliminate duplicates Z: 66 49.411 2.165 0.802 0.613 0.908 0.492 CB 1.555 66 residues pruned to eliminate duplicates Z: 72 51.000 2.173 0.880 0.622 0.887 0.521 CB 1.488 72 residues pruned to eliminate duplicates Z: 39 31.519 2.100 0.691 0.519 0.921 0.632 CB 1.534 39 residues pruned to eliminate duplicates Z: 35 24.400 1.996 0.640 0.510 0.912 0.529 CB 1.388 35 residues pruned to eliminate duplicates Z: 93 53.029 2.215 0.705 0.553 0.924 0.609 CB 1.505 93 residues pruned to eliminate duplicates Z: 83 51.142 2.217 0.731 0.594 0.902 0.622 CB 1.490 83 residues pruned to eliminate duplicates Z: 51 34.373 2.139 0.713 0.497 0.900 0.560 CB 1.479 51 residues pruned to eliminate duplicates Z: 52 34.367 2.041 0.717 0.519 0.941 0.647 CB 1.431 52 residues pruned to eliminate duplicates Z: 24 23.285 1.968 0.784 0.616 0.870 0.522 CB 1.425 24 residues pruned to eliminate duplicates Z: 84 51.430 2.232 0.691 0.600 0.916 0.663 CB 1.485 84 residues pruned to eliminate duplicates Z: 76 46.172 2.235 0.685 0.560 0.907 0.600 CB 1.473 76 residues pruned to eliminate duplicates Z: 21 26.788 2.050 0.764 0.688 0.950 0.700 CB 1.467 21 residues pruned to eliminate duplicates Z: 50 33.641 2.119 0.706 0.473 0.918 0.510 CB 1.488 50 residues pruned to eliminate duplicates Z: 77 48.664 2.243 0.754 0.553 0.895 0.566 CB 1.506 77 residues pruned to eliminate duplicates Z: 44 33.789 2.067 0.783 0.518 0.930 0.605 CB 1.477 44 residues pruned to eliminate duplicates Z: 6 2.703 1.664 0.246 0.156 0.800 0.200 CA 1.110 6 residues pruned to eliminate duplicates Z: 44 33.644 2.077 0.699 0.512 0.907 0.674 CA 1.583 44 residues pruned to eliminate duplicates Z: 38 34.497 2.149 0.773 0.546 0.946 0.730 CB 1.504 38 residues pruned to eliminate duplicates Z: 52 35.219 2.139 0.732 0.490 0.902 0.569 CB 1.491 52 residues pruned to eliminate duplicates Z: 41 28.701 2.002 0.709 0.521 0.875 0.600 CB 1.485 41 residues pruned to eliminate duplicates Z: 49 34.971 2.120 0.786 0.487 0.917 0.604 CB 1.474 49 residues pruned to eliminate duplicates Z: 48 33.260 2.146 0.693 0.520 0.894 0.468 CB 1.465 48 residues pruned to eliminate duplicates Z: 51 32.487 2.042 0.823 0.447 0.920 0.480 CB 1.417 51 residues pruned to eliminate duplicates Z: 47 34.006 2.115 0.778 0.497 0.891 0.565 CB 1.500 47 residues pruned to eliminate duplicates Z: 39 32.695 2.103 0.753 0.497 0.947 0.553 CB 1.524 39 residues pruned to eliminate duplicates Z: 46 33.620 2.134 0.728 0.483 0.911 0.533 CB 1.518 46 residues pruned to eliminate duplicates Z: 91 58.181 2.191 0.772 0.543 0.956 0.556 CB 1.586 91 residues pruned to eliminate duplicates Z: 52 33.327 2.116 0.805 0.458 0.882 0.490 CB 1.446 52 residues pruned to eliminate duplicates Z: 38 28.198 2.054 0.773 0.447 0.892 0.486 CB 1.507 38 residues pruned to eliminate duplicates Z: 53 31.542 2.072 0.681 0.460 0.885 0.442 CB 1.480 53 residues pruned to eliminate duplicates Z: 21 15.038 2.130 0.793 0.382 0.750 0.450 CB 1.332 21 residues pruned to eliminate duplicates Z: 55 39.092 2.228 0.699 0.584 0.907 0.611 CB 1.429 55 residues pruned to eliminate duplicates Z: 52 33.012 2.091 0.720 0.455 0.941 0.471 CB 1.430 52 residues pruned to eliminate duplicates Z: 69 43.488 2.202 0.738 0.473 0.941 0.485 CB 1.505 69 residues pruned to eliminate duplicates Z: 51 34.376 2.159 0.792 0.460 0.880 0.500 CB 1.488 51 residues pruned to eliminate duplicates Z: 53 29.945 2.010 0.711 0.440 0.942 0.558 CB 1.364 53 residues pruned to eliminate duplicates Z: 13 23.111 2.273 0.694 0.679 0.917 0.667 CB 1.604 13 residues pruned to eliminate duplicates Z: 63 59.462 2.374 0.795 0.601 0.968 0.645 CB 1.665 63 residues pruned to eliminate duplicates Z: 11 13.004 2.105 0.601 0.585 0.800 0.400 CB 1.406 11 residues pruned to eliminate duplicates Z: 10 16.424 2.285 0.705 0.553 1.000 0.889 CB 1.335 10 residues pruned to eliminate duplicates Z: 38 43.850 2.334 0.700 0.694 0.946 0.622 CB 1.608 38 residues pruned to eliminate duplicates Z: 37 35.656 2.275 0.594 0.638 0.889 0.556 CB 1.620 37 residues pruned to eliminate duplicates Z: 42 47.217 2.306 0.883 0.655 0.976 0.756 CB 1.507 42 residues pruned to eliminate duplicates Z: 65 55.429 2.304 0.830 0.551 0.953 0.672 CB 1.640 65 residues pruned to eliminate duplicates Z: 38 30.048 2.156 0.692 0.592 0.865 0.649 CB 1.435 38 residues pruned to eliminate duplicates Z: 104 68.472 2.271 0.890 0.581 0.932 0.563 CB 1.561 104 residues pruned to eliminate duplicates Z: 44 39.337 2.251 0.737 0.566 0.907 0.605 CB 1.587 44 residues pruned to eliminate duplicates Z: 42 47.662 2.297 0.912 0.637 0.951 0.610 CB 1.567 42 residues pruned to eliminate duplicates Z: 61 54.081 2.361 0.767 0.559 0.933 0.633 CB 1.693 61 residues pruned to eliminate duplicates Z: 55 51.145 2.372 0.699 0.555 0.963 0.593 CB 1.699 55 residues pruned to eliminate duplicates Z: 63 44.281 2.190 0.782 0.526 0.919 0.629 CB 1.527 63 residues pruned to eliminate duplicates Z: 27 39.272 2.320 0.745 0.703 0.962 0.731 CB 1.645 27 residues pruned to eliminate duplicates Z: 42 44.297 2.296 0.775 0.614 0.976 0.610 CB 1.562 42 residues pruned to eliminate duplicates Z: 31 30.816 2.221 0.620 0.681 0.900 0.600 CB 1.472 31 residues pruned to eliminate duplicates Z: 36 39.000 2.287 0.764 0.598 0.914 0.543 CB 1.627 36 residues pruned to eliminate duplicates Z: 31 33.967 2.279 0.758 0.642 0.933 0.600 CB 1.452 31 residues pruned to eliminate duplicates Z: 63 53.807 2.350 0.700 0.544 0.984 0.645 CB 1.665 63 residues pruned to eliminate duplicates Z: 40 43.104 2.357 0.711 0.637 0.923 0.769 CB 1.631 40 residues pruned to eliminate duplicates Z: 61 53.587 2.319 0.809 0.552 0.950 0.617 CB 1.649 61 residues pruned to eliminate duplicates Z: 54 42.522 2.290 0.670 0.567 0.925 0.642 CB 1.549 54 residues pruned to eliminate duplicates Z: 33 38.440 2.330 0.735 0.653 1.000 0.656 CB 1.458 33 residues pruned to eliminate duplicates Z: 35 40.364 2.309 0.718 0.603 0.941 0.559 CB 1.680 35 residues pruned to eliminate duplicates Z: 43 44.001 2.274 0.788 0.593 0.976 0.524 CB 1.564 43 residues pruned to eliminate duplicates Z: 42 44.225 2.326 0.729 0.624 0.927 0.659 CB 1.649 42 residues pruned to eliminate duplicates Z: 42 41.859 2.329 0.708 0.613 0.951 0.610 CB 1.552 42 residues pruned to eliminate duplicates Z: 64 50.666 2.301 0.799 0.523 0.968 0.603 CB 1.557 64 residues pruned to eliminate duplicates Z: 40 38.108 2.316 0.674 0.644 0.949 0.538 CB 1.451 40 residues pruned to eliminate duplicates Z: 43 39.559 2.292 0.789 0.623 0.905 0.595 CB 1.465 43 residues pruned to eliminate duplicates Z: 65 54.916 2.335 0.750 0.563 0.969 0.562 CB 1.631 65 residues pruned to eliminate duplicates Z: 13 11.937 2.123 0.682 0.285 0.833 0.500 CB 1.474 13 residues pruned to eliminate duplicates Z: 15 15.518 2.239 0.605 0.387 0.857 0.357 CB 1.518 15 residues pruned to eliminate duplicates Z: 64 51.771 2.314 0.667 0.580 0.968 0.635 CB 1.617 64 residues pruned to eliminate duplicates Z: 44 37.352 2.255 0.619 0.624 0.930 0.651 CB 1.493 44 residues pruned to eliminate duplicates Z: 108 67.341 2.285 0.849 0.568 0.916 0.523 CB 1.575 108 residues pruned to eliminate duplicates Z: 42 40.164 2.287 0.666 0.617 0.951 0.561 CB 1.549 42 residues pruned to eliminate duplicates Z: 26 33.721 2.327 0.787 0.466 0.960 0.680 CA 1.749 26 residues pruned to eliminate duplicates Z: 23 29.506 2.344 0.815 0.433 0.909 0.591 CB 1.743 23 residues pruned to eliminate duplicates Z: 24 30.218 2.359 0.873 0.451 0.870 0.565 CA 1.725 24 residues pruned to eliminate duplicates Z: 66 53.201 2.295 0.768 0.583 0.985 0.692 CB 1.525 66 residues pruned to eliminate duplicates Z: 22 28.165 2.381 0.739 0.460 0.905 0.762 CB 1.709 22 residues pruned to eliminate duplicates Z: 25 30.505 2.319 0.740 0.445 1.000 0.625 CB 1.632 25 residues pruned to eliminate duplicates Z: 27 34.112 2.299 0.751 0.462 1.000 0.615 CB 1.728 27 residues pruned to eliminate duplicates Z: 62 48.187 2.313 0.783 0.542 0.918 0.607 CB 1.563 62 residues pruned to eliminate duplicates Z: 56 49.015 2.330 0.745 0.565 0.945 0.582 CB 1.615 56 residues pruned to eliminate duplicates Z: 24 29.618 2.385 0.762 0.402 0.957 0.565 CB 1.704 24 residues pruned to eliminate duplicates Z: 21 29.782 2.451 0.721 0.451 0.950 0.650 CB 1.747 21 residues pruned to eliminate duplicates Z: 24 31.139 2.355 0.840 0.464 0.913 0.609 CA 1.702 24 residues pruned to eliminate duplicates Z: 30 23.707 2.144 0.804 0.421 0.793 0.517 CB 1.558 30 residues pruned to eliminate duplicates Z: 35 30.864 2.253 0.783 0.479 0.912 0.559 CB 1.476 35 residues pruned to eliminate duplicates Z: 26 39.610 2.310 0.989 0.547 0.960 0.640 CB 1.716 26 residues pruned to eliminate duplicates Z: 28 25.822 2.286 0.666 0.418 0.926 0.704 CB 1.535 28 residues pruned to eliminate duplicates Z: 26 39.295 2.347 0.927 0.541 0.960 0.800 CA 1.738 26 residues pruned to eliminate duplicates Z: 10 14.860 1.894 0.790 0.564 1.000 0.556 CA 1.374 9 residues pruned to eliminate duplicates 443 residues left after pruning, divided into chains as follows: A: 142 B: 301 CC for partial structure against native data = 45.00 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.508, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.589, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.714, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.734, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.751, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.758, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 0.766, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.769, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.773, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.774, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2274 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 535 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 22.520 2.337 0.655 0.424 1.000 0.385 CB 1.747 B: 64 29.335 2.011 0.547 0.479 0.889 0.619 CB 1.364 14 residues pruned to eliminate duplicates C: 17 40.471 2.380 0.710 0.929 0.938 0.812 CB 1.856 D: 66 46.160 2.294 0.642 0.548 0.892 0.585 CB 1.626 61 residues pruned to eliminate duplicates E: 18 33.676 2.313 0.739 0.857 0.882 0.765 CB 1.696 18 residues pruned to eliminate duplicates F: 19 33.679 2.325 0.438 0.895 0.944 0.833 CB 1.801 19 residues pruned to eliminate duplicates G: 20 30.566 2.319 0.329 0.872 1.000 0.842 CB 1.658 H: 15 25.780 2.224 0.913 0.645 0.929 0.786 CB 1.523 17 residues pruned to eliminate duplicates I: 12 12.176 2.061 0.144 0.793 0.818 0.545 CB 1.472 12 residues pruned to eliminate duplicates J: 18 38.794 2.307 0.559 0.932 1.000 0.824 CB 1.827 18 residues pruned to eliminate duplicates K: 41 36.636 2.199 0.704 0.520 0.975 0.675 CB 1.554 L: 64 51.963 2.337 0.724 0.577 0.921 0.651 CB 1.638 64 residues pruned to eliminate duplicates M: 23 28.602 2.236 0.787 0.454 1.000 0.636 CA 1.599 N: 25 24.127 2.247 0.714 0.459 0.833 0.542 CB 1.600 25 residues pruned to eliminate duplicates O: 12 11.486 1.940 0.664 0.511 0.818 0.545 CB 1.297 11 residues pruned to eliminate duplicates P: 52 44.194 2.162 0.894 0.503 0.980 0.569 CB 1.537 42 residues pruned to eliminate duplicates Q: 44 32.892 2.151 0.597 0.608 0.907 0.651 CB 1.453 44 residues pruned to eliminate duplicates R: 40 29.219 2.088 0.793 0.485 0.872 0.564 CB 1.454 40 residues pruned to eliminate duplicates S: 20 29.153 2.294 0.256 0.877 1.000 0.842 CB 1.686 20 residues pruned to eliminate duplicates T: 102 52.716 2.185 0.707 0.548 0.921 0.554 CB 1.457 64 residues pruned to eliminate duplicates U: 24 50.423 2.354 1.234 0.945 0.957 0.609 CB 1.446 24 residues pruned to eliminate duplicates V: 20 28.645 2.337 0.320 0.896 0.947 0.842 CB 1.611 20 residues pruned to eliminate duplicates W: 61 47.407 2.302 0.767 0.541 0.883 0.500 CB 1.636 61 residues pruned to eliminate duplicates X: 32 35.584 2.379 0.870 0.443 0.935 0.581 CB 1.628 Y: 20 26.710 2.054 0.552 0.826 0.947 0.789 CB 1.530 20 residues pruned to eliminate duplicates Z: 18 35.468 2.365 0.614 0.896 0.941 0.765 CB 1.715 18 residues pruned to eliminate duplicates Z: 20 42.536 2.344 0.741 0.928 1.000 0.842 CA 1.675 Z: 26 42.406 2.427 0.895 0.556 0.960 0.600 CB 1.820 26 residues pruned to eliminate duplicates Z: 25 49.705 2.347 0.962 0.951 1.000 0.875 CB 1.518 25 residues pruned to eliminate duplicates Z: 44 35.964 2.294 0.579 0.565 0.884 0.651 CB 1.610 39 residues pruned to eliminate duplicates Z: 36 18.437 2.022 0.728 0.329 0.771 0.457 CB 1.396 36 residues pruned to eliminate duplicates Z: 35 32.395 2.335 0.691 0.439 0.941 0.559 CB 1.592 35 residues pruned to eliminate duplicates Z: 33 28.369 2.371 0.677 0.419 0.875 0.500 CB 1.568 33 residues pruned to eliminate duplicates Z: 11 14.836 2.182 0.786 0.630 0.900 0.800 CB 1.184 11 residues pruned to eliminate duplicates Z: 25 35.087 2.166 0.546 0.937 0.958 0.750 CB 1.553 Z: 52 31.443 2.124 0.627 0.493 0.882 0.529 CB 1.454 52 residues pruned to eliminate duplicates Z: 25 43.767 2.306 0.738 0.945 1.000 0.917 CB 1.542 25 residues pruned to eliminate duplicates Z: 11 19.566 2.021 1.075 0.629 0.900 0.600 CB 1.452 11 residues pruned to eliminate duplicates Z: 18 33.496 2.254 0.523 0.932 1.000 0.765 CB 1.652 18 residues pruned to eliminate duplicates Z: 26 30.646 2.193 0.356 0.923 1.000 0.840 CB 1.448 26 residues pruned to eliminate duplicates Z: 52 28.203 2.062 0.552 0.489 0.902 0.549 CB 1.383 23 residues pruned to eliminate duplicates Z: 16 39.430 2.236 0.977 0.906 1.000 0.800 CB 1.638 16 residues pruned to eliminate duplicates Z: 25 29.818 2.283 0.636 0.505 0.958 0.625 CB 1.693 22 residues pruned to eliminate duplicates Z: 9 27.038 2.218 0.751 0.914 1.000 0.750 CB 1.740 9 residues pruned to eliminate duplicates Z: 24 52.100 2.335 0.890 0.926 1.000 0.609 CB 1.726 20 residues pruned to eliminate duplicates Z: 20 33.214 2.323 0.469 0.880 0.947 0.684 CB 1.708 20 residues pruned to eliminate duplicates Z: 14 40.901 2.380 1.004 0.879 1.000 0.615 CA 1.725 14 residues pruned to eliminate duplicates Z: 58 55.982 2.362 0.816 0.571 0.965 0.667 CB 1.674 57 residues pruned to eliminate duplicates Z: 10 18.433 2.143 0.530 0.908 0.889 0.778 CB 1.497 10 residues pruned to eliminate duplicates Z: 16 20.241 2.169 0.656 0.554 0.933 0.533 CB 1.479 16 residues pruned to eliminate duplicates Z: 24 53.857 2.339 1.084 0.929 0.957 0.478 CB 1.685 24 residues pruned to eliminate duplicates Z: 19 31.022 2.244 0.608 0.933 0.944 0.833 CB 1.497 19 residues pruned to eliminate duplicates Z: 24 39.501 2.171 0.694 0.922 1.000 0.696 CB 1.575 24 residues pruned to eliminate duplicates Z: 26 43.415 2.246 0.744 0.935 0.960 0.480 CB 1.610 24 residues pruned to eliminate duplicates Z: 24 36.988 2.295 0.494 0.950 1.000 0.957 CB 1.551 24 residues pruned to eliminate duplicates Z: 31 29.590 2.411 0.700 0.441 0.833 0.567 CB 1.680 31 residues pruned to eliminate duplicates Z: 19 34.932 2.108 1.110 0.860 0.944 0.722 CB 1.441 19 residues pruned to eliminate duplicates Z: 9 13.318 1.928 1.193 0.454 0.875 0.625 CA 1.335 9 residues pruned to eliminate duplicates Z: 16 26.513 2.182 0.472 0.888 1.000 0.800 CA 1.536 Z: 23 36.968 2.151 0.958 0.919 0.909 0.591 CB 1.450 24 residues pruned to eliminate duplicates Z: 25 20.133 2.159 0.730 0.463 0.792 0.583 CB 1.444 25 residues pruned to eliminate duplicates Z: 26 40.503 2.221 0.844 0.936 0.960 0.760 CB 1.434 26 residues pruned to eliminate duplicates Z: 10 20.394 2.045 0.577 0.894 1.000 0.778 CA 1.512 10 residues pruned to eliminate duplicates Z: 24 49.475 2.310 0.839 0.952 1.000 0.652 CB 1.672 24 residues pruned to eliminate duplicates Z: 20 49.895 2.375 1.050 0.953 0.947 0.526 CB 1.708 21 residues pruned to eliminate duplicates Z: 23 43.343 2.351 0.714 0.963 1.000 0.682 CB 1.568 23 residues pruned to eliminate duplicates Z: 23 26.414 2.314 0.515 0.508 0.955 0.545 CB 1.670 25 residues pruned to eliminate duplicates Z: 98 54.548 2.218 0.671 0.514 0.938 0.546 CB 1.572 140 residues pruned to eliminate duplicates Z: 20 34.258 2.315 0.577 0.876 0.947 0.579 CB 1.651 Z: 61 53.882 2.292 0.849 0.562 0.967 0.700 CB 1.598 20 residues pruned to eliminate duplicates Z: 9 19.066 2.025 0.818 0.910 1.000 0.875 CB 1.298 9 residues pruned to eliminate duplicates Z: 25 30.923 2.263 0.748 0.501 0.958 0.583 CB 1.663 26 residues pruned to eliminate duplicates Z: 18 30.905 2.201 0.863 0.915 0.882 0.647 CB 1.464 18 residues pruned to eliminate duplicates Z: 52 30.607 2.060 0.640 0.481 0.902 0.471 CB 1.434 52 residues pruned to eliminate duplicates Z: 64 51.144 2.277 0.744 0.541 0.937 0.667 CB 1.664 63 residues pruned to eliminate duplicates Z: 24 36.427 2.171 0.656 0.914 0.957 0.783 CB 1.562 24 residues pruned to eliminate duplicates Z: 26 45.665 2.215 0.886 0.936 1.000 0.840 CB 1.523 26 residues pruned to eliminate duplicates Z: 37 39.367 2.258 0.782 0.695 0.917 0.806 CB 1.489 37 residues pruned to eliminate duplicates Z: 23 31.244 2.380 0.779 0.480 0.955 0.545 CB 1.683 23 residues pruned to eliminate duplicates Z: 26 38.475 2.229 0.756 0.931 1.000 1.000 CB 1.373 26 residues pruned to eliminate duplicates Z: 19 19.760 2.084 0.295 0.824 0.889 0.611 CB 1.466 17 residues pruned to eliminate duplicates Z: 9 15.631 1.944 0.731 0.800 1.000 0.750 CB 1.263 9 residues pruned to eliminate duplicates Z: 24 39.056 2.253 0.607 0.924 1.000 0.870 CA 1.580 24 residues pruned to eliminate duplicates Z: 13 16.468 2.014 0.252 0.778 0.917 0.417 CA 1.610 13 residues pruned to eliminate duplicates Z: 26 39.784 2.241 0.679 0.942 0.960 0.720 CB 1.528 26 residues pruned to eliminate duplicates Z: 24 36.268 2.198 0.532 0.949 1.000 0.739 CB 1.550 24 residues pruned to eliminate duplicates Z: 14 26.916 2.410 0.303 0.905 1.000 0.769 CB 1.692 14 residues pruned to eliminate duplicates Z: 20 38.321 2.170 1.054 0.936 0.947 0.737 CB 1.450 20 residues pruned to eliminate duplicates Z: 26 30.877 2.280 0.796 0.505 0.880 0.680 CB 1.705 25 residues pruned to eliminate duplicates Z: 51 31.365 2.093 0.604 0.538 0.940 0.480 CB 1.354 51 residues pruned to eliminate duplicates Z: 20 46.604 2.371 0.982 0.908 0.947 0.368 CB 1.706 20 residues pruned to eliminate duplicates Z: 14 6.909 1.920 0.581 0.194 0.692 0.385 CB 1.315 14 residues pruned to eliminate duplicates Z: 132 61.944 2.216 0.733 0.552 0.878 0.573 CB 1.526 132 residues pruned to eliminate duplicates Z: 22 38.320 2.228 0.933 0.943 1.000 0.714 CB 1.345 22 residues pruned to eliminate duplicates Z: 43 28.813 2.080 0.513 0.651 0.905 0.643 CB 1.357 29 residues pruned to eliminate duplicates Z: 9 29.725 2.145 0.998 0.925 1.000 1.000 CB 1.721 9 residues pruned to eliminate duplicates Z: 75 35.946 2.067 0.583 0.485 0.919 0.527 CB 1.411 75 residues pruned to eliminate duplicates Z: 121 62.754 2.222 0.665 0.596 0.950 0.650 CB 1.488 124 residues pruned to eliminate duplicates Z: 24 48.592 2.327 0.940 0.935 0.957 0.478 CB 1.635 24 residues pruned to eliminate duplicates Z: 54 46.150 2.362 0.683 0.574 0.943 0.679 CB 1.574 54 residues pruned to eliminate duplicates Z: 24 48.274 2.221 1.137 0.952 0.957 0.391 CB 1.527 23 residues pruned to eliminate duplicates Z: 13 16.554 1.978 0.647 0.686 0.917 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 69 46.453 2.251 0.674 0.540 0.897 0.603 CB 1.601 69 residues pruned to eliminate duplicates Z: 25 51.221 2.328 1.114 0.915 0.958 0.583 CB 1.566 25 residues pruned to eliminate duplicates Z: 23 36.315 2.199 0.569 0.941 1.000 0.773 CB 1.558 23 residues pruned to eliminate duplicates Z: 24 43.818 2.200 0.895 0.935 1.000 0.783 CB 1.528 24 residues pruned to eliminate duplicates Z: 26 33.404 2.306 0.858 0.493 0.920 0.680 CB 1.706 27 residues pruned to eliminate duplicates Z: 10 20.152 2.117 0.542 0.879 1.000 0.889 CB 1.491 10 residues pruned to eliminate duplicates Z: 56 47.231 2.256 0.714 0.597 0.964 0.673 CB 1.558 50 residues pruned to eliminate duplicates Z: 24 35.217 2.299 0.773 0.518 1.000 0.609 CB 1.770 24 residues pruned to eliminate duplicates Z: 19 35.522 2.338 0.542 0.917 1.000 0.833 CB 1.639 19 residues pruned to eliminate duplicates Z: 24 30.085 2.352 0.907 0.470 0.913 0.609 CB 1.580 24 residues pruned to eliminate duplicates Z: 10 21.440 2.097 0.743 0.877 1.000 0.556 CB 1.420 10 residues pruned to eliminate duplicates Z: 24 32.295 2.194 0.302 0.940 1.000 0.957 CB 1.637 24 residues pruned to eliminate duplicates Z: 7 10.391 2.002 0.526 0.547 0.833 0.500 CA 1.591 7 residues pruned to eliminate duplicates Z: 18 29.020 2.040 0.992 0.916 0.765 0.471 CB 1.600 18 residues pruned to eliminate duplicates Z: 9 14.368 2.001 0.639 0.880 0.875 0.750 CB 1.283 9 residues pruned to eliminate duplicates Z: 10 16.953 2.054 0.374 0.903 1.000 0.667 CB 1.428 10 residues pruned to eliminate duplicates Z: 24 44.846 2.283 0.798 0.952 1.000 0.783 CB 1.569 24 residues pruned to eliminate duplicates Z: 51 30.809 2.101 0.479 0.441 0.960 0.480 CB 1.553 51 residues pruned to eliminate duplicates Z: 18 29.938 2.236 0.632 0.860 0.824 0.706 CB 1.776 18 residues pruned to eliminate duplicates Z: 24 37.617 2.468 0.764 0.522 0.957 0.652 CB 1.843 24 residues pruned to eliminate duplicates Z: 61 41.989 2.212 0.543 0.587 0.933 0.650 CB 1.566 61 residues pruned to eliminate duplicates Z: 25 30.298 2.240 0.598 0.800 0.875 0.542 CB 1.519 25 residues pruned to eliminate duplicates Z: 20 31.199 2.320 0.388 0.876 1.000 0.789 CB 1.616 20 residues pruned to eliminate duplicates Z: 11 25.699 2.304 1.042 0.613 1.000 0.900 CB 1.552 11 residues pruned to eliminate duplicates Z: 35 19.106 1.899 0.544 0.438 0.912 0.559 CB 1.307 Z: 52 33.163 2.103 0.651 0.427 0.961 0.490 CB 1.502 52 residues pruned to eliminate duplicates Z: 9 17.651 2.026 1.002 0.891 0.875 0.750 CB 1.265 9 residues pruned to eliminate duplicates Z: 42 35.243 2.097 0.771 0.499 0.951 0.512 CB 1.559 77 residues pruned to eliminate duplicates Z: 19 38.044 2.320 0.604 0.883 1.000 0.778 CB 1.743 19 residues pruned to eliminate duplicates Z: 21 27.134 2.255 0.951 0.419 0.900 0.600 CA 1.667 21 residues pruned to eliminate duplicates Z: 9 13.736 2.043 0.554 0.874 0.875 0.750 CB 1.271 9 residues pruned to eliminate duplicates Z: 48 44.475 2.269 0.733 0.696 0.957 0.766 CB 1.441 48 residues pruned to eliminate duplicates Z: 20 30.449 2.223 0.616 0.833 0.895 0.684 CB 1.630 20 residues pruned to eliminate duplicates Z: 20 52.526 2.386 1.087 0.925 1.000 0.421 CB 1.698 20 residues pruned to eliminate duplicates Z: 9 18.443 2.172 0.816 0.725 1.000 0.625 CB 1.349 9 residues pruned to eliminate duplicates Z: 6 11.071 2.372 -0.104 0.818 1.000 0.600 CB 1.768 6 residues pruned to eliminate duplicates Z: 6 11.586 1.956 0.327 0.758 1.000 0.400 CA 1.587 6 residues pruned to eliminate duplicates Z: 19 34.967 2.323 0.604 0.883 1.000 0.722 CB 1.600 19 residues pruned to eliminate duplicates Z: 21 48.263 2.418 0.819 0.942 1.000 0.700 CB 1.703 21 residues pruned to eliminate duplicates Z: 15 19.870 2.195 0.376 0.789 0.857 0.714 CA 1.591 15 residues pruned to eliminate duplicates Z: 25 30.097 2.292 0.673 0.539 0.917 0.667 CB 1.683 25 residues pruned to eliminate duplicates Z: 21 38.082 2.243 0.884 0.948 0.950 0.500 CB 1.465 21 residues pruned to eliminate duplicates Z: 45 37.705 2.154 0.737 0.620 0.932 0.636 CB 1.456 45 residues pruned to eliminate duplicates Z: 16 40.283 2.432 0.915 0.931 0.933 0.733 CB 1.672 16 residues pruned to eliminate duplicates Z: 24 42.004 2.195 0.872 0.948 0.957 0.652 CB 1.539 24 residues pruned to eliminate duplicates Z: 61 43.780 2.231 0.542 0.591 0.933 0.633 CB 1.613 61 residues pruned to eliminate duplicates Z: 23 42.792 2.353 0.736 0.915 0.955 0.727 CB 1.654 23 residues pruned to eliminate duplicates Z: 17 26.800 2.197 0.536 0.925 0.938 0.688 CB 1.486 17 residues pruned to eliminate duplicates Z: 82 47.977 2.229 0.641 0.548 0.914 0.617 CB 1.522 82 residues pruned to eliminate duplicates Z: 8 20.692 2.274 0.840 0.610 1.000 0.714 CA 1.683 8 residues pruned to eliminate duplicates Z: 64 33.761 2.105 0.626 0.484 0.921 0.556 CB 1.372 64 residues pruned to eliminate duplicates Z: 10 17.983 2.006 0.717 0.905 1.000 0.556 CB 1.239 10 residues pruned to eliminate duplicates Z: 35 18.807 1.925 0.617 0.461 0.853 0.500 CB 1.264 Z: 6 15.583 1.899 0.938 0.780 1.000 0.800 N 1.479 6 residues pruned to eliminate duplicates Z: 29 27.389 2.199 0.665 0.457 0.964 0.607 CB 1.532 29 residues pruned to eliminate duplicates Z: 50 37.078 2.103 0.772 0.554 0.980 0.653 CB 1.377 50 residues pruned to eliminate duplicates Z: 25 49.463 2.302 0.981 0.937 0.917 0.458 CB 1.680 25 residues pruned to eliminate duplicates Z: 23 28.730 2.357 0.864 0.519 0.864 0.636 CB 1.585 23 residues pruned to eliminate duplicates Z: 9 17.688 2.195 0.521 0.893 0.875 0.625 CB 1.536 9 residues pruned to eliminate duplicates Z: 17 29.507 2.219 0.465 0.925 1.000 0.688 CB 1.594 17 residues pruned to eliminate duplicates Z: 9 14.500 2.033 0.743 0.885 0.875 0.750 CB 1.194 9 residues pruned to eliminate duplicates Z: 24 42.545 2.322 0.880 0.943 0.957 0.826 CB 1.472 24 residues pruned to eliminate duplicates Z: 50 18.119 1.860 0.487 0.367 0.857 0.490 CB 1.260 35 residues pruned to eliminate duplicates Z: 23 44.896 2.234 0.918 0.932 1.000 0.591 CB 1.559 24 residues pruned to eliminate duplicates Z: 68 40.897 2.175 0.655 0.481 0.940 0.657 CB 1.504 68 residues pruned to eliminate duplicates Z: 24 37.423 2.167 0.656 0.923 0.957 0.870 CB 1.598 24 residues pruned to eliminate duplicates Z: 59 46.748 2.246 0.619 0.606 0.966 0.690 CB 1.581 60 residues pruned to eliminate duplicates Z: 19 27.736 2.284 0.327 0.867 0.944 0.667 CB 1.670 19 residues pruned to eliminate duplicates Z: 51 31.932 2.104 0.645 0.500 0.940 0.500 CB 1.388 51 residues pruned to eliminate duplicates Z: 34 20.551 1.936 0.674 0.437 0.909 0.515 CB 1.297 34 residues pruned to eliminate duplicates Z: 17 33.643 2.075 1.056 0.947 0.938 0.688 CB 1.453 17 residues pruned to eliminate duplicates Z: 10 16.253 2.008 0.531 0.852 0.889 0.556 CA 1.467 10 residues pruned to eliminate duplicates Z: 18 35.763 2.364 0.755 0.901 0.941 0.647 CB 1.586 18 residues pruned to eliminate duplicates Z: 16 38.945 2.381 1.116 0.940 1.000 0.600 CB 1.386 16 residues pruned to eliminate duplicates Z: 18 25.100 2.140 0.424 0.916 0.882 0.765 CA 1.600 18 residues pruned to eliminate duplicates Z: 27 24.295 2.022 0.660 0.586 1.000 0.538 CB 1.308 27 residues pruned to eliminate duplicates Z: 25 18.476 2.154 0.614 0.370 0.875 0.542 CB 1.425 25 residues pruned to eliminate duplicates Z: 88 59.131 2.243 0.885 0.618 0.908 0.494 CB 1.477 88 residues pruned to eliminate duplicates Z: 24 39.354 2.176 0.820 0.955 0.957 0.565 CB 1.489 24 residues pruned to eliminate duplicates Z: 18 30.458 2.256 0.454 0.927 1.000 0.882 CB 1.579 18 residues pruned to eliminate duplicates Z: 14 31.862 2.496 0.781 0.541 1.000 0.769 CB 1.910 14 residues pruned to eliminate duplicates Z: 6 6.024 1.592 0.624 0.659 0.800 0.200 N 1.124 6 residues pruned to eliminate duplicates Z: 20 38.493 2.342 0.652 0.886 1.000 0.737 CB 1.646 20 residues pruned to eliminate duplicates Z: 20 23.927 2.153 0.370 0.823 0.947 0.579 CB 1.484 20 residues pruned to eliminate duplicates Z: 17 21.979 2.086 0.368 0.909 1.000 0.875 CB 1.367 17 residues pruned to eliminate duplicates Z: 44 41.230 2.247 0.743 0.616 0.977 0.605 CB 1.473 44 residues pruned to eliminate duplicates Z: 20 36.810 2.347 0.688 0.864 0.895 0.842 CB 1.747 20 residues pruned to eliminate duplicates Z: 28 18.961 1.986 0.511 0.431 0.926 0.519 CB 1.411 28 residues pruned to eliminate duplicates Z: 20 26.168 2.161 0.479 0.827 0.947 0.632 CA 1.494 20 residues pruned to eliminate duplicates Z: 42 20.217 1.953 0.470 0.450 0.854 0.512 CB 1.356 42 residues pruned to eliminate duplicates Z: 25 63.325 2.297 1.421 0.928 1.000 0.583 CB 1.628 25 residues pruned to eliminate duplicates Z: 18 20.022 2.131 0.311 0.866 0.882 0.765 CB 1.443 18 residues pruned to eliminate duplicates Z: 6 11.150 1.799 0.879 0.832 1.000 0.800 CA 1.107 6 residues pruned to eliminate duplicates Z: 20 39.665 2.403 0.562 0.935 1.000 0.895 CB 1.689 20 residues pruned to eliminate duplicates Z: 10 22.150 2.081 0.722 0.895 1.000 0.556 CB 1.477 10 residues pruned to eliminate duplicates Z: 25 50.991 2.336 1.153 0.947 0.958 0.583 CB 1.493 25 residues pruned to eliminate duplicates Z: 20 27.550 2.327 0.205 0.886 0.947 0.842 CB 1.717 20 residues pruned to eliminate duplicates Z: 20 33.954 2.340 0.587 0.855 1.000 0.579 CB 1.547 20 residues pruned to eliminate duplicates Z: 45 27.343 2.055 0.631 0.512 0.841 0.523 CB 1.445 45 residues pruned to eliminate duplicates Z: 24 35.992 2.274 0.515 0.923 0.957 0.870 CB 1.600 24 residues pruned to eliminate duplicates Z: 23 29.572 2.194 0.275 0.931 1.000 0.909 CB 1.575 23 residues pruned to eliminate duplicates Z: 57 44.695 2.166 0.879 0.612 0.929 0.482 CB 1.422 57 residues pruned to eliminate duplicates Z: 20 28.419 2.333 0.935 0.444 0.947 0.737 CA 1.614 20 residues pruned to eliminate duplicates Z: 44 39.583 2.264 0.629 0.697 0.907 0.744 CB 1.507 44 residues pruned to eliminate duplicates Z: 23 45.643 2.229 0.879 0.961 1.000 0.727 CB 1.590 23 residues pruned to eliminate duplicates Z: 46 29.593 2.101 0.636 0.491 0.933 0.556 CB 1.388 46 residues pruned to eliminate duplicates Z: 34 20.223 1.956 0.603 0.458 0.909 0.485 CB 1.289 34 residues pruned to eliminate duplicates Z: 63 39.251 2.182 0.506 0.550 0.935 0.677 CB 1.545 63 residues pruned to eliminate duplicates Z: 24 46.646 2.199 0.984 0.937 1.000 0.609 CB 1.551 24 residues pruned to eliminate duplicates Z: 63 44.481 2.172 0.593 0.597 0.984 0.677 CB 1.513 62 residues pruned to eliminate duplicates Z: 8 14.991 2.388 0.659 0.573 0.857 0.714 CB 1.556 8 residues pruned to eliminate duplicates Z: 82 42.477 2.176 0.600 0.546 0.901 0.580 CB 1.439 82 residues pruned to eliminate duplicates Z: 48 29.583 2.067 0.653 0.479 0.936 0.511 CB 1.378 48 residues pruned to eliminate duplicates Z: 44 31.778 2.109 0.543 0.615 0.907 0.791 CB 1.473 43 residues pruned to eliminate duplicates Z: 10 5.967 1.764 0.547 0.292 0.778 0.667 CB 1.183 10 residues pruned to eliminate duplicates Z: 25 40.055 2.297 0.487 0.904 1.000 0.833 CB 1.705 25 residues pruned to eliminate duplicates Z: 8 5.376 1.892 0.362 0.526 0.857 0.571 CB 0.896 Z: 41 18.399 1.928 0.516 0.424 0.825 0.500 CB 1.306 44 residues pruned to eliminate duplicates Z: 11 6.312 1.940 0.520 0.348 0.800 0.500 CB 0.998 11 residues pruned to eliminate duplicates Z: 39 27.709 2.038 0.649 0.538 0.947 0.553 CB 1.360 39 residues pruned to eliminate duplicates Z: 22 18.709 1.970 0.815 0.503 0.810 0.571 CB 1.405 22 residues pruned to eliminate duplicates Z: 8 15.304 2.272 0.557 0.614 0.857 0.714 CA 1.712 8 residues pruned to eliminate duplicates Z: 45 29.706 2.040 0.654 0.511 0.955 0.545 CB 1.375 45 residues pruned to eliminate duplicates Z: 18 9.373 1.897 0.377 0.349 0.706 0.353 CB 1.452 18 residues pruned to eliminate duplicates Z: 12 8.643 1.976 0.465 0.346 0.727 0.455 CA 1.463 12 residues pruned to eliminate duplicates Z: 33 23.245 2.060 0.625 0.573 0.969 0.500 CB 1.181 33 residues pruned to eliminate duplicates Z: 12 12.806 2.213 0.460 0.529 0.818 0.455 CB 1.420 12 residues pruned to eliminate duplicates Z: 20 29.023 2.173 0.571 0.849 0.947 0.632 CB 1.527 20 residues pruned to eliminate duplicates Z: 16 8.282 2.027 0.352 0.402 0.800 0.400 CB 1.082 16 residues pruned to eliminate duplicates Z: 18 14.548 1.875 0.490 0.510 0.941 0.471 CB 1.327 18 residues pruned to eliminate duplicates Z: 20 36.999 2.319 0.766 0.949 0.895 0.474 CB 1.598 20 residues pruned to eliminate duplicates Z: 36 29.088 2.062 0.583 0.602 0.943 0.571 CB 1.450 36 residues pruned to eliminate duplicates Z: 12 19.679 2.263 1.151 0.569 0.909 0.818 CB 1.254 12 residues pruned to eliminate duplicates Z: 26 36.895 2.199 1.036 0.947 0.880 0.440 CB 1.294 26 residues pruned to eliminate duplicates Z: 22 42.804 2.153 1.158 0.931 0.952 0.571 CB 1.475 22 residues pruned to eliminate duplicates Z: 57 39.183 2.165 0.634 0.584 0.911 0.589 CB 1.499 57 residues pruned to eliminate duplicates Z: 39 29.400 2.067 0.759 0.508 0.947 0.605 CB 1.373 39 residues pruned to eliminate duplicates Z: 19 32.997 2.282 0.698 0.892 0.889 0.722 CB 1.622 19 residues pruned to eliminate duplicates Z: 23 36.424 2.226 0.680 0.915 0.955 0.545 CB 1.537 23 residues pruned to eliminate duplicates Z: 15 35.421 2.430 0.777 0.905 1.000 0.500 CB 1.560 15 residues pruned to eliminate duplicates Z: 52 28.979 2.070 0.673 0.458 0.843 0.510 CB 1.451 52 residues pruned to eliminate duplicates Z: 35 34.294 2.232 0.681 0.610 0.941 0.647 CB 1.501 35 residues pruned to eliminate duplicates Z: 18 14.075 1.827 0.852 0.388 0.824 0.529 CA 1.379 18 residues pruned to eliminate duplicates Z: 26 24.305 2.244 0.665 0.443 0.800 0.600 CA 1.726 26 residues pruned to eliminate duplicates Z: 24 56.775 2.351 1.336 0.963 1.000 0.435 CB 1.474 24 residues pruned to eliminate duplicates Z: 19 20.356 2.122 0.418 0.860 0.833 0.556 CB 1.406 19 residues pruned to eliminate duplicates Z: 24 40.466 2.246 1.017 0.898 0.957 0.652 CB 1.393 24 residues pruned to eliminate duplicates Z: 26 43.760 2.192 0.945 0.946 0.960 0.520 CB 1.479 26 residues pruned to eliminate duplicates Z: 20 52.577 2.329 1.227 0.958 1.000 0.368 CB 1.595 20 residues pruned to eliminate duplicates Z: 25 41.523 2.291 0.691 0.936 1.000 0.958 CB 1.524 25 residues pruned to eliminate duplicates Z: 35 29.281 2.077 0.379 0.746 0.912 0.824 CB 1.543 27 residues pruned to eliminate duplicates Z: 25 46.345 2.154 1.097 0.947 0.958 0.500 CB 1.510 33 residues pruned to eliminate duplicates Z: 53 34.654 2.145 0.698 0.497 0.885 0.538 CB 1.496 53 residues pruned to eliminate duplicates Z: 39 28.448 2.046 0.491 0.628 0.921 0.632 CB 1.457 39 residues pruned to eliminate duplicates Z: 24 22.936 2.056 0.132 0.932 1.000 1.000 CB 1.436 24 residues pruned to eliminate duplicates Z: 97 44.751 2.168 0.646 0.516 0.875 0.562 CB 1.439 97 residues pruned to eliminate duplicates Z: 6 14.250 1.978 0.535 0.811 1.000 0.600 CA 1.600 6 residues pruned to eliminate duplicates Z: 9 8.676 1.855 0.462 0.547 0.750 0.500 CB 1.441 9 residues pruned to eliminate duplicates Z: 15 12.716 1.853 0.400 0.548 1.000 0.643 CB 1.250 15 residues pruned to eliminate duplicates Z: 9 12.348 1.963 0.431 0.854 0.875 0.875 CB 1.312 9 residues pruned to eliminate duplicates Z: 36 18.068 1.885 0.633 0.429 0.886 0.571 CB 1.205 36 residues pruned to eliminate duplicates Z: 24 47.870 2.216 1.167 0.937 0.957 0.522 CB 1.513 24 residues pruned to eliminate duplicates Z: 56 55.261 2.368 0.752 0.590 0.982 0.691 CB 1.678 56 residues pruned to eliminate duplicates Z: 15 33.284 2.228 0.954 0.931 0.929 0.714 CB 1.538 15 residues pruned to eliminate duplicates Z: 10 22.252 2.101 0.514 0.923 1.000 0.889 CA 1.639 10 residues pruned to eliminate duplicates Z: 16 15.289 2.192 0.788 0.480 0.800 0.733 CB 1.285 16 residues pruned to eliminate duplicates Z: 43 19.372 1.928 0.534 0.431 0.857 0.452 CB 1.266 40 residues pruned to eliminate duplicates Z: 7 4.807 1.912 -0.262 0.356 1.000 0.333 N 1.626 Z: 50 25.077 2.018 0.571 0.467 0.898 0.449 CB 1.301 50 residues pruned to eliminate duplicates Z: 47 25.909 1.978 0.695 0.456 0.826 0.543 CB 1.443 47 residues pruned to eliminate duplicates Z: 18 20.668 2.167 0.334 0.902 0.882 0.765 CB 1.401 18 residues pruned to eliminate duplicates Z: 101 52.132 2.134 0.557 0.602 0.940 0.650 CB 1.515 94 residues pruned to eliminate duplicates Z: 8 6.381 1.858 -0.124 0.650 1.000 0.714 C 1.288 Z: 53 34.973 2.150 0.649 0.504 0.904 0.558 CB 1.508 53 residues pruned to eliminate duplicates Z: 14 31.806 2.265 1.002 0.938 0.923 0.538 CB 1.465 14 residues pruned to eliminate duplicates Z: 8 16.888 2.066 0.557 0.875 1.000 0.857 CB 1.443 8 residues pruned to eliminate duplicates Z: 10 24.950 2.087 0.912 0.893 1.000 0.778 CB 1.496 10 residues pruned to eliminate duplicates Z: 43 41.409 2.290 0.919 0.638 0.905 0.357 CB 1.412 43 residues pruned to eliminate duplicates Z: 20 29.410 2.262 0.531 0.803 0.947 0.632 CB 1.578 20 residues pruned to eliminate duplicates Z: 31 50.564 2.319 1.125 0.821 0.967 0.300 CB 1.467 31 residues pruned to eliminate duplicates Z: 43 21.188 1.925 0.513 0.467 0.905 0.571 CB 1.282 50 residues pruned to eliminate duplicates Z: 18 22.719 2.210 0.604 0.451 0.941 0.412 CA 1.737 18 residues pruned to eliminate duplicates Z: 40 26.028 2.013 0.611 0.505 0.923 0.641 CB 1.386 40 residues pruned to eliminate duplicates Z: 59 33.424 2.031 0.566 0.594 0.948 0.655 CB 1.330 59 residues pruned to eliminate duplicates Z: 25 43.236 2.275 1.011 0.956 0.958 0.375 CB 1.382 25 residues pruned to eliminate duplicates Z: 28 13.882 1.990 0.347 0.425 0.815 0.370 CB 1.322 28 residues pruned to eliminate duplicates Z: 6 4.553 1.691 0.057 0.636 0.800 0.800 CB 1.254 6 residues pruned to eliminate duplicates Z: 8 24.874 2.268 0.904 0.784 1.000 0.857 CA 1.696 8 residues pruned to eliminate duplicates Z: 9 20.092 2.254 0.697 0.728 1.000 0.875 CB 1.512 9 residues pruned to eliminate duplicates Z: 14 5.045 1.601 0.576 0.379 0.846 0.231 CB 0.745 14 residues pruned to eliminate duplicates Z: 46 30.074 2.090 0.717 0.534 0.889 0.578 CB 1.359 46 residues pruned to eliminate duplicates Z: 39 18.067 1.915 0.457 0.439 0.895 0.553 CB 1.249 39 residues pruned to eliminate duplicates Z: 18 26.063 2.192 0.464 0.883 0.941 0.647 CB 1.514 18 residues pruned to eliminate duplicates Z: 59 40.730 2.192 0.758 0.494 0.897 0.517 CB 1.557 59 residues pruned to eliminate duplicates Z: 22 18.791 2.009 0.593 0.635 0.905 0.571 CB 1.248 22 residues pruned to eliminate duplicates Z: 12 5.009 1.693 -0.151 0.567 0.909 0.364 N 1.084 7 residues pruned to eliminate duplicates Z: 6 4.693 1.677 0.556 0.280 0.800 0.400 C 1.288 6 residues pruned to eliminate duplicates Z: 69 52.714 2.146 0.976 0.632 0.912 0.456 CB 1.461 69 residues pruned to eliminate duplicates Z: 17 23.850 2.178 0.403 0.902 0.875 0.688 CA 1.590 17 residues pruned to eliminate duplicates Z: 50 37.985 2.204 0.576 0.605 0.939 0.714 CB 1.506 50 residues pruned to eliminate duplicates Z: 63 58.102 2.366 0.824 0.577 0.952 0.710 CB 1.669 63 residues pruned to eliminate duplicates Z: 32 28.497 2.294 0.736 0.416 0.903 0.645 CB 1.552 32 residues pruned to eliminate duplicates Z: 8 16.015 1.965 0.818 0.849 1.000 0.714 CB 1.256 8 residues pruned to eliminate duplicates Z: 40 22.895 2.060 0.506 0.471 0.846 0.436 CB 1.439 40 residues pruned to eliminate duplicates Z: 9 7.185 1.751 0.351 0.457 0.750 0.625 N 1.496 9 residues pruned to eliminate duplicates Z: 17 32.249 2.372 0.364 0.915 1.000 0.688 CB 1.761 17 residues pruned to eliminate duplicates Z: 10 27.634 2.112 0.913 0.908 1.000 0.778 CB 1.619 10 residues pruned to eliminate duplicates Z: 8 8.543 1.829 0.824 0.514 0.714 0.429 CB 1.336 8 residues pruned to eliminate duplicates Z: 19 22.190 2.328 0.881 0.433 0.778 0.611 CB 1.647 19 residues pruned to eliminate duplicates Z: 40 22.105 1.880 0.646 0.483 0.923 0.564 CB 1.261 42 residues pruned to eliminate duplicates Z: 43 18.204 1.881 0.551 0.441 0.833 0.548 CB 1.228 43 residues pruned to eliminate duplicates Z: 48 35.004 2.215 0.713 0.603 0.915 0.681 CB 1.334 48 residues pruned to eliminate duplicates Z: 31 35.139 2.410 0.692 0.508 0.933 0.700 CB 1.672 31 residues pruned to eliminate duplicates Z: 9 6.073 1.806 0.594 0.209 0.750 0.250 CB 1.402 9 residues pruned to eliminate duplicates Z: 26 51.010 2.238 1.213 0.946 0.960 0.560 CB 1.484 26 residues pruned to eliminate duplicates Z: 24 47.961 2.191 1.127 0.956 0.957 0.304 CB 1.541 24 residues pruned to eliminate duplicates Z: 23 12.789 1.946 0.447 0.391 0.864 0.364 CB 1.259 18 residues pruned to eliminate duplicates Z: 32 23.974 2.122 0.487 0.548 0.903 0.613 CB 1.442 32 residues pruned to eliminate duplicates Z: 49 32.024 2.085 0.680 0.531 0.896 0.625 CB 1.429 49 residues pruned to eliminate duplicates Z: 6 3.479 1.394 0.172 0.633 1.000 0.800 CB 0.841 Z: 39 35.263 2.228 0.636 0.630 0.895 0.632 CB 1.552 39 residues pruned to eliminate duplicates Z: 16 28.338 2.209 1.019 0.904 0.867 0.467 CB 1.348 16 residues pruned to eliminate duplicates Z: 10 25.774 2.162 1.021 0.919 0.889 0.778 CB 1.560 10 residues pruned to eliminate duplicates Z: 9 23.681 2.288 0.826 0.755 1.000 0.875 CB 1.596 9 residues pruned to eliminate duplicates Z: 22 12.739 1.789 0.372 0.524 0.952 0.571 CB 1.161 22 residues pruned to eliminate duplicates Z: 14 16.078 2.078 0.322 0.849 0.923 0.538 CB 1.303 14 residues pruned to eliminate duplicates Z: 99 49.965 2.161 0.723 0.539 0.908 0.602 CB 1.437 99 residues pruned to eliminate duplicates Z: 37 25.053 1.991 0.555 0.487 0.917 0.417 CB 1.490 37 residues pruned to eliminate duplicates Z: 9 12.454 1.866 0.731 0.643 0.875 0.750 CB 1.363 9 residues pruned to eliminate duplicates Z: 8 13.762 1.930 1.256 0.705 1.000 0.714 N 0.991 Z: 9 15.725 2.152 0.866 0.592 0.875 0.875 CA 1.449 9 residues pruned to eliminate duplicates Z: 46 24.503 1.991 0.629 0.473 0.911 0.444 CB 1.270 46 residues pruned to eliminate duplicates Z: 24 49.409 2.196 1.127 0.955 1.000 0.348 CB 1.516 24 residues pruned to eliminate duplicates Z: 17 36.755 2.253 0.806 0.927 0.938 0.875 CB 1.687 17 residues pruned to eliminate duplicates Z: 10 5.378 1.546 0.514 0.266 0.889 0.778 C 1.125 10 residues pruned to eliminate duplicates Z: 6 4.377 1.701 -0.113 0.797 1.000 1.000 CB 1.001 6 residues pruned to eliminate duplicates Z: 18 29.441 2.101 0.540 0.894 1.000 0.706 CB 1.584 18 residues pruned to eliminate duplicates Z: 11 18.730 2.162 0.699 0.651 0.900 0.800 CB 1.557 11 residues pruned to eliminate duplicates Z: 7 3.520 1.617 0.206 0.375 0.833 0.500 CB 1.010 Z: 26 28.870 2.280 0.659 0.504 0.960 0.680 CB 1.584 26 residues pruned to eliminate duplicates Z: 89 54.027 2.147 0.916 0.579 0.909 0.455 CB 1.428 89 residues pruned to eliminate duplicates Z: 7 10.031 2.138 0.282 0.607 1.000 0.833 CB 1.350 7 residues pruned to eliminate duplicates Z: 7 4.334 1.871 0.137 0.328 0.833 0.333 CB 1.205 9 residues pruned to eliminate duplicates Z: 10 3.462 1.762 0.442 0.519 0.889 0.556 CB 0.502 Z: 29 19.321 2.070 0.576 0.469 0.786 0.500 CB 1.470 29 residues pruned to eliminate duplicates Z: 12 3.869 1.521 0.113 0.424 0.727 0.455 O 1.025 Z: 47 17.949 1.907 0.496 0.384 0.891 0.457 CB 1.178 47 residues pruned to eliminate duplicates Z: 50 25.130 2.071 0.556 0.420 0.918 0.449 CB 1.319 50 residues pruned to eliminate duplicates Z: 48 43.796 2.221 0.990 0.598 0.872 0.447 CB 1.508 48 residues pruned to eliminate duplicates Z: 84 45.801 2.177 0.758 0.524 0.867 0.542 CB 1.479 84 residues pruned to eliminate duplicates Z: 13 4.726 1.722 0.456 0.272 0.667 0.583 N 1.057 13 residues pruned to eliminate duplicates Z: 32 21.393 1.962 0.550 0.506 0.935 0.645 CB 1.342 32 residues pruned to eliminate duplicates Z: 54 27.245 1.971 0.551 0.499 0.925 0.547 CB 1.326 54 residues pruned to eliminate duplicates Z: 17 19.539 2.055 0.548 0.489 1.000 0.625 CA 1.553 17 residues pruned to eliminate duplicates Z: 9 4.222 1.606 -0.002 0.541 0.875 0.750 CB 1.022 8 residues pruned to eliminate duplicates Z: 52 24.780 2.005 0.604 0.483 0.863 0.510 CB 1.272 52 residues pruned to eliminate duplicates Z: 11 4.954 1.586 0.055 0.398 0.800 0.400 CB 1.303 7 residues pruned to eliminate duplicates Z: 17 30.338 2.171 0.578 0.911 1.000 0.562 CB 1.569 17 residues pruned to eliminate duplicates Z: 69 28.410 2.070 0.409 0.512 0.853 0.574 CB 1.368 63 residues pruned to eliminate duplicates Z: 62 41.108 2.206 0.822 0.517 0.885 0.590 CB 1.455 62 residues pruned to eliminate duplicates Z: 10 7.143 1.711 0.557 0.349 1.000 0.667 CB 1.052 10 residues pruned to eliminate duplicates Z: 75 39.415 2.123 0.534 0.554 0.878 0.635 CB 1.520 75 residues pruned to eliminate duplicates Z: 8 8.231 1.769 0.505 0.470 0.857 0.571 CA 1.406 8 residues pruned to eliminate duplicates Z: 6 2.077 1.556 0.100 0.298 0.600 0.400 CB 1.134 Z: 18 8.415 1.802 0.449 0.292 0.706 0.412 CB 1.398 18 residues pruned to eliminate duplicates Z: 9 6.419 1.840 -0.237 0.583 1.000 0.250 N 1.492 10 residues pruned to eliminate duplicates Z: 47 33.208 2.171 0.577 0.523 0.913 0.522 CB 1.531 47 residues pruned to eliminate duplicates Z: 56 42.800 2.224 0.637 0.557 0.964 0.655 CB 1.557 56 residues pruned to eliminate duplicates Z: 42 25.545 2.104 0.587 0.407 0.902 0.439 CB 1.460 42 residues pruned to eliminate duplicates Z: 19 26.917 2.259 0.362 0.892 1.000 0.500 CB 1.481 19 residues pruned to eliminate duplicates Z: 37 28.572 2.079 0.399 0.644 0.972 0.694 CB 1.472 37 residues pruned to eliminate duplicates Z: 24 32.752 2.166 0.461 0.924 0.957 0.739 CB 1.585 24 residues pruned to eliminate duplicates Z: 14 35.634 2.404 0.918 0.911 1.000 0.769 CB 1.520 14 residues pruned to eliminate duplicates Z: 59 33.182 2.069 0.661 0.444 0.914 0.552 CB 1.470 59 residues pruned to eliminate duplicates Z: 26 25.440 2.137 0.790 0.470 0.920 0.640 CB 1.490 25 residues pruned to eliminate duplicates Z: 7 4.816 1.779 0.044 0.425 1.000 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 7 4.284 1.803 0.567 0.506 0.667 0.667 CB 0.923 Z: 7 4.895 1.761 -0.244 0.811 1.000 0.833 CB 1.145 9 residues pruned to eliminate duplicates Z: 8 19.625 2.017 0.949 0.900 1.000 0.857 CB 1.348 8 residues pruned to eliminate duplicates Z: 10 21.915 1.971 0.846 0.787 1.000 0.889 CA 1.560 10 residues pruned to eliminate duplicates Z: 8 7.478 1.859 -0.155 0.775 1.000 0.857 CB 1.411 8 residues pruned to eliminate duplicates Z: 31 30.421 2.069 0.762 0.529 0.967 0.733 CB 1.531 31 residues pruned to eliminate duplicates Z: 24 48.464 2.190 1.096 0.940 1.000 0.348 CB 1.528 24 residues pruned to eliminate duplicates Z: 7 4.118 1.717 0.066 0.506 0.833 0.833 O 1.096 Z: 55 48.640 2.384 0.713 0.567 0.963 0.630 CB 1.578 55 residues pruned to eliminate duplicates Z: 24 40.059 2.198 0.886 0.944 0.957 0.696 CB 1.459 24 residues pruned to eliminate duplicates Z: 36 24.316 2.050 0.583 0.481 0.943 0.486 CB 1.369 36 residues pruned to eliminate duplicates Z: 14 14.017 2.137 0.469 0.566 0.923 0.846 CB 1.258 14 residues pruned to eliminate duplicates Z: 36 22.750 1.975 0.583 0.509 0.914 0.514 CB 1.333 36 residues pruned to eliminate duplicates Z: 41 31.366 2.141 0.648 0.482 0.925 0.525 CB 1.547 41 residues pruned to eliminate duplicates Z: 6 11.735 1.536 1.234 0.812 1.000 0.600 N 1.165 6 residues pruned to eliminate duplicates Z: 15 7.095 1.893 0.326 0.479 0.786 0.357 CB 0.982 15 residues pruned to eliminate duplicates Z: 7 2.762 1.478 -0.158 0.644 0.667 0.500 CB 1.188 Z: 51 49.636 2.359 0.663 0.578 0.960 0.600 CB 1.729 51 residues pruned to eliminate duplicates Z: 9 3.935 1.429 0.371 0.311 0.875 0.250 CB 1.001 Z: 30 20.646 2.052 0.521 0.407 0.897 0.586 CB 1.510 30 residues pruned to eliminate duplicates Z: 17 8.877 1.777 0.371 0.311 0.875 0.562 CA 1.284 17 residues pruned to eliminate duplicates Z: 6 3.785 1.797 0.233 0.223 0.800 0.400 CB 1.321 6 residues pruned to eliminate duplicates Z: 20 11.883 1.816 0.365 0.455 0.947 0.526 CB 1.216 20 residues pruned to eliminate duplicates Z: 8 5.425 1.684 0.416 0.325 0.857 0.429 CB 1.216 8 residues pruned to eliminate duplicates Z: 73 35.344 2.053 0.558 0.554 0.889 0.569 CB 1.391 75 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.862 1.759 0.073 0.187 0.800 0.200 C 1.235 6 residues pruned to eliminate duplicates Z: 44 16.419 1.878 0.425 0.357 0.860 0.442 CB 1.270 44 residues pruned to eliminate duplicates Z: 20 13.399 1.898 0.492 0.511 0.895 0.579 CB 1.200 22 residues pruned to eliminate duplicates Z: 6 5.450 1.792 1.246 0.302 0.800 0.200 CA 0.944 6 residues pruned to eliminate duplicates Z: 40 21.361 1.938 0.470 0.457 0.949 0.615 CB 1.323 37 residues pruned to eliminate duplicates Z: 6 3.760 1.619 0.754 0.321 0.600 0.400 N 1.202 6 residues pruned to eliminate duplicates Z: 43 20.764 1.925 0.546 0.441 0.881 0.524 CB 1.299 43 residues pruned to eliminate duplicates Z: 24 14.765 2.011 0.603 0.329 0.870 0.478 CB 1.324 24 residues pruned to eliminate duplicates Z: 41 20.480 1.939 0.424 0.448 0.950 0.500 CB 1.302 40 residues pruned to eliminate duplicates Z: 6 3.648 1.584 0.738 0.302 0.800 0.600 CA 0.923 6 residues pruned to eliminate duplicates Z: 35 20.276 1.968 0.599 0.429 0.912 0.500 CB 1.304 35 residues pruned to eliminate duplicates Z: 32 19.298 1.983 0.619 0.455 0.871 0.677 CB 1.298 32 residues pruned to eliminate duplicates Z: 17 12.739 2.003 0.666 0.369 0.812 0.500 CB 1.351 17 residues pruned to eliminate duplicates Z: 45 16.235 1.878 0.402 0.390 0.818 0.477 CB 1.277 45 residues pruned to eliminate duplicates Z: 45 18.094 1.932 0.494 0.416 0.841 0.500 CB 1.228 45 residues pruned to eliminate duplicates Z: 14 18.021 2.087 0.867 0.465 0.923 0.538 CB 1.440 14 residues pruned to eliminate duplicates Z: 39 19.421 1.933 0.544 0.432 0.868 0.579 CB 1.305 39 residues pruned to eliminate duplicates Z: 42 20.135 1.956 0.499 0.436 0.878 0.512 CB 1.305 42 residues pruned to eliminate duplicates Z: 42 19.567 1.935 0.458 0.459 0.854 0.537 CB 1.324 42 residues pruned to eliminate duplicates Z: 11 8.399 1.936 0.370 0.393 0.800 0.600 CB 1.401 11 residues pruned to eliminate duplicates Z: 46 33.137 2.072 0.600 0.631 0.933 0.711 CB 1.412 46 residues pruned to eliminate duplicates Z: 9 4.294 1.723 0.201 0.245 0.750 0.500 CA 1.313 9 residues pruned to eliminate duplicates Z: 46 30.583 2.109 0.490 0.571 0.911 0.778 CB 1.487 46 residues pruned to eliminate duplicates Z: 14 6.823 1.829 0.374 0.340 0.769 0.385 CB 1.166 14 residues pruned to eliminate duplicates Z: 27 17.894 2.025 0.704 0.476 0.769 0.500 CB 1.354 27 residues pruned to eliminate duplicates Z: 10 7.114 1.937 0.373 0.252 0.889 0.444 CA 1.333 10 residues pruned to eliminate duplicates Z: 32 35.023 2.198 0.594 0.734 0.968 0.710 CB 1.504 32 residues pruned to eliminate duplicates Z: 40 28.933 2.111 0.436 0.640 0.923 0.718 CB 1.453 40 residues pruned to eliminate duplicates Z: 33 29.507 2.136 0.499 0.671 0.906 0.750 CB 1.535 33 residues pruned to eliminate duplicates Z: 45 31.449 2.126 0.574 0.581 0.909 0.773 CB 1.442 45 residues pruned to eliminate duplicates Z: 47 28.391 2.082 0.504 0.573 0.870 0.674 CB 1.433 47 residues pruned to eliminate duplicates Z: 52 28.272 2.041 0.545 0.524 0.882 0.706 CB 1.389 52 residues pruned to eliminate duplicates Z: 41 33.324 2.123 0.562 0.632 0.925 0.600 CB 1.517 41 residues pruned to eliminate duplicates Z: 47 31.847 2.090 0.585 0.577 0.913 0.674 CB 1.441 47 residues pruned to eliminate duplicates Z: 38 34.870 2.157 0.605 0.656 0.946 0.703 CB 1.514 38 residues pruned to eliminate duplicates Z: 39 39.961 2.151 0.774 0.668 0.947 0.711 CB 1.535 39 residues pruned to eliminate duplicates Z: 31 41.353 2.208 0.870 0.737 0.967 0.800 CB 1.529 31 residues pruned to eliminate duplicates Z: 120 51.811 2.093 0.621 0.577 0.916 0.571 CB 1.419 120 residues pruned to eliminate duplicates Z: 101 56.245 2.161 0.651 0.600 0.930 0.650 CB 1.541 101 residues pruned to eliminate duplicates Z: 85 37.232 2.017 0.629 0.551 0.893 0.560 CB 1.317 85 residues pruned to eliminate duplicates Z: 74 47.633 2.107 0.754 0.640 0.890 0.630 CB 1.487 74 residues pruned to eliminate duplicates Z: 47 30.035 2.075 0.771 0.471 0.891 0.500 CB 1.392 47 residues pruned to eliminate duplicates Z: 83 39.419 2.029 0.618 0.546 0.915 0.561 CB 1.385 82 residues pruned to eliminate duplicates Z: 24 38.225 2.191 0.743 0.947 0.913 0.652 CB 1.580 24 residues pruned to eliminate duplicates Z: 107 61.837 2.179 0.722 0.600 0.953 0.594 CB 1.527 144 residues pruned to eliminate duplicates Z: 24 43.267 2.200 0.908 0.935 0.957 0.391 CB 1.565 24 residues pruned to eliminate duplicates Z: 38 32.571 2.127 0.663 0.665 0.892 0.486 CB 1.457 38 residues pruned to eliminate duplicates Z: 42 41.184 2.167 0.931 0.650 0.927 0.610 CB 1.442 42 residues pruned to eliminate duplicates Z: 40 37.611 2.101 0.876 0.671 0.897 0.385 CB 1.454 40 residues pruned to eliminate duplicates Z: 33 43.401 2.174 1.007 0.715 0.969 0.438 CB 1.493 33 residues pruned to eliminate duplicates Z: 79 42.809 2.067 0.747 0.562 0.897 0.462 CB 1.408 46 residues pruned to eliminate duplicates Z: 24 47.993 2.181 1.153 0.952 0.957 0.304 CB 1.535 24 residues pruned to eliminate duplicates Z: 100 62.162 2.178 0.763 0.635 0.939 0.576 CB 1.526 100 residues pruned to eliminate duplicates Z: 107 60.136 2.184 0.745 0.588 0.934 0.557 CB 1.509 107 residues pruned to eliminate duplicates Z: 49 37.288 2.085 0.898 0.597 0.875 0.417 CB 1.417 49 residues pruned to eliminate duplicates Z: 61 39.719 2.119 0.792 0.581 0.883 0.467 CB 1.415 61 residues pruned to eliminate duplicates Z: 47 35.638 2.100 0.829 0.570 0.891 0.500 CB 1.434 47 residues pruned to eliminate duplicates Z: 100 58.142 2.172 0.661 0.611 0.939 0.525 CB 1.553 100 residues pruned to eliminate duplicates Z: 49 39.972 2.112 0.825 0.593 0.938 0.479 CB 1.461 49 residues pruned to eliminate duplicates Z: 46 37.061 2.108 0.664 0.680 0.956 0.378 CB 1.396 46 residues pruned to eliminate duplicates Z: 51 37.092 2.107 0.777 0.587 0.900 0.480 CB 1.432 51 residues pruned to eliminate duplicates Z: 50 40.679 2.111 0.890 0.597 0.939 0.510 CB 1.415 50 residues pruned to eliminate duplicates Z: 111 54.423 2.128 0.736 0.541 0.936 0.518 CB 1.441 111 residues pruned to eliminate duplicates Z: 48 33.808 2.023 0.793 0.560 0.936 0.489 CB 1.370 48 residues pruned to eliminate duplicates Z: 84 49.013 2.143 0.615 0.602 0.940 0.675 CB 1.501 84 residues pruned to eliminate duplicates Z: 31 22.577 1.973 0.678 0.581 0.867 0.500 CB 1.328 31 residues pruned to eliminate duplicates Z: 107 61.707 2.188 0.708 0.598 0.943 0.604 CB 1.548 107 residues pruned to eliminate duplicates Z: 11 8.497 1.928 0.374 0.418 0.900 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 36 32.013 2.086 0.560 0.699 0.943 0.743 CA 1.471 36 residues pruned to eliminate duplicates Z: 9 14.961 2.156 0.372 0.702 1.000 1.000 CB 1.488 9 residues pruned to eliminate duplicates Z: 41 33.779 2.132 0.531 0.649 0.950 0.575 CB 1.499 41 residues pruned to eliminate duplicates Z: 62 41.224 2.211 0.512 0.562 0.951 0.574 CB 1.564 62 residues pruned to eliminate duplicates Z: 60 47.533 2.247 0.583 0.614 0.966 0.610 CB 1.616 60 residues pruned to eliminate duplicates Z: 25 21.971 2.130 0.376 0.634 0.917 0.625 CB 1.473 25 residues pruned to eliminate duplicates Z: 38 28.358 2.067 0.525 0.645 0.946 0.649 CB 1.365 38 residues pruned to eliminate duplicates Z: 63 44.839 2.203 0.626 0.604 0.919 0.661 CB 1.565 63 residues pruned to eliminate duplicates Z: 58 44.425 2.271 0.565 0.560 0.965 0.632 CB 1.618 58 residues pruned to eliminate duplicates Z: 33 31.506 2.152 0.631 0.655 0.938 0.750 CB 1.466 33 residues pruned to eliminate duplicates Z: 56 45.893 2.200 0.684 0.580 0.964 0.673 CB 1.605 56 residues pruned to eliminate duplicates Z: 63 42.151 2.185 0.630 0.563 0.935 0.613 CB 1.511 63 residues pruned to eliminate duplicates Z: 60 43.752 2.264 0.604 0.564 0.949 0.644 CB 1.553 60 residues pruned to eliminate duplicates Z: 59 45.707 2.228 0.600 0.582 0.983 0.655 CB 1.583 59 residues pruned to eliminate duplicates Z: 54 43.378 2.205 0.634 0.588 0.962 0.660 CB 1.579 54 residues pruned to eliminate duplicates Z: 122 59.346 2.177 0.758 0.573 0.909 0.570 CB 1.445 122 residues pruned to eliminate duplicates Z: 58 46.203 2.247 0.628 0.578 0.982 0.684 CB 1.580 58 residues pruned to eliminate duplicates Z: 60 46.003 2.190 0.613 0.597 0.983 0.712 CB 1.573 60 residues pruned to eliminate duplicates Z: 63 47.224 2.198 0.611 0.588 0.984 0.645 CB 1.583 63 residues pruned to eliminate duplicates Z: 64 39.925 2.159 0.621 0.546 0.921 0.587 CB 1.492 64 residues pruned to eliminate duplicates Z: 32 35.277 2.202 0.586 0.683 1.000 0.742 CB 1.535 32 residues pruned to eliminate duplicates Z: 77 42.101 2.177 0.559 0.511 0.934 0.513 CB 1.507 77 residues pruned to eliminate duplicates Z: 62 43.511 2.217 0.559 0.572 0.967 0.639 CB 1.555 62 residues pruned to eliminate duplicates Z: 38 32.763 2.055 0.706 0.661 0.946 0.676 CB 1.399 38 residues pruned to eliminate duplicates Z: 57 43.633 2.223 0.611 0.597 0.946 0.643 CB 1.568 57 residues pruned to eliminate duplicates Z: 60 46.228 2.255 0.711 0.570 0.949 0.610 CB 1.536 60 residues pruned to eliminate duplicates Z: 62 43.448 2.222 0.608 0.552 0.951 0.639 CB 1.556 62 residues pruned to eliminate duplicates Z: 37 28.643 2.052 0.601 0.622 0.944 0.639 CB 1.371 37 residues pruned to eliminate duplicates Z: 60 44.601 2.232 0.608 0.595 0.983 0.678 CB 1.503 60 residues pruned to eliminate duplicates Z: 61 43.761 2.201 0.607 0.589 0.967 0.583 CB 1.516 61 residues pruned to eliminate duplicates Z: 58 44.261 2.243 0.523 0.588 0.965 0.632 CB 1.635 58 residues pruned to eliminate duplicates Z: 44 33.384 2.104 0.631 0.600 0.953 0.674 CB 1.415 44 residues pruned to eliminate duplicates Z: 42 30.703 2.149 0.394 0.618 0.976 0.683 CB 1.467 42 residues pruned to eliminate duplicates Z: 57 43.736 2.231 0.588 0.571 0.982 0.661 CB 1.568 57 residues pruned to eliminate duplicates Z: 89 37.510 2.067 0.532 0.507 0.898 0.523 CB 1.396 89 residues pruned to eliminate duplicates Z: 61 41.360 2.216 0.591 0.557 0.950 0.633 CB 1.508 61 residues pruned to eliminate duplicates Z: 25 29.163 2.269 0.692 0.486 0.917 0.583 CB 1.715 25 residues pruned to eliminate duplicates Z: 14 24.836 2.499 0.652 0.492 0.923 0.769 CA 1.823 14 residues pruned to eliminate duplicates Z: 24 31.541 2.323 0.784 0.499 0.957 0.652 CB 1.660 24 residues pruned to eliminate duplicates Z: 24 29.386 2.293 0.756 0.486 0.913 0.609 CB 1.691 24 residues pruned to eliminate duplicates Z: 48 35.541 2.156 0.702 0.539 0.915 0.617 CB 1.486 48 residues pruned to eliminate duplicates Z: 24 32.698 2.352 0.936 0.484 0.957 0.652 CB 1.591 24 residues pruned to eliminate duplicates Z: 61 42.808 2.209 0.592 0.578 0.950 0.683 CB 1.534 61 residues pruned to eliminate duplicates Z: 27 29.607 2.171 0.659 0.506 1.000 0.577 CB 1.603 27 residues pruned to eliminate duplicates Z: 28 29.270 2.186 0.753 0.482 0.963 0.593 CB 1.554 28 residues pruned to eliminate duplicates Z: 67 40.695 2.141 0.604 0.541 0.939 0.591 CB 1.491 67 residues pruned to eliminate duplicates Z: 45 28.029 2.089 0.560 0.481 0.909 0.477 CB 1.455 45 residues pruned to eliminate duplicates Z: 55 37.301 2.229 0.611 0.528 0.907 0.574 CB 1.514 55 residues pruned to eliminate duplicates Z: 27 27.607 2.166 0.736 0.485 0.923 0.615 CB 1.584 27 residues pruned to eliminate duplicates Z: 14 14.360 1.967 0.713 0.483 0.923 0.462 CB 1.303 14 residues pruned to eliminate duplicates Z: 24 23.181 2.253 0.673 0.463 0.870 0.652 CB 1.531 24 residues pruned to eliminate duplicates Z: 49 35.855 2.115 0.713 0.505 0.979 0.542 CB 1.451 49 residues pruned to eliminate duplicates Z: 51 38.158 2.129 0.766 0.532 0.980 0.580 CB 1.419 51 residues pruned to eliminate duplicates Z: 34 31.290 2.276 0.743 0.494 0.818 0.576 CB 1.688 25 residues pruned to eliminate duplicates Z: 11 26.616 2.125 0.805 0.765 1.000 0.800 CB 1.735 11 residues pruned to eliminate duplicates Z: 53 30.515 2.135 0.522 0.482 0.904 0.577 CB 1.468 53 residues pruned to eliminate duplicates Z: 56 35.676 2.134 0.723 0.464 0.909 0.509 CB 1.493 56 residues pruned to eliminate duplicates Z: 93 51.285 2.198 0.684 0.557 0.913 0.620 CB 1.497 93 residues pruned to eliminate duplicates Z: 39 27.465 2.037 0.637 0.479 0.921 0.526 CB 1.482 39 residues pruned to eliminate duplicates Z: 51 36.178 2.171 0.697 0.496 0.920 0.600 CB 1.516 52 residues pruned to eliminate duplicates Z: 10 23.497 2.034 1.197 0.900 0.889 0.556 CB 1.409 10 residues pruned to eliminate duplicates Z: 49 31.838 2.151 0.655 0.495 0.896 0.542 CB 1.448 49 residues pruned to eliminate duplicates Z: 9 32.737 2.244 1.165 0.888 1.000 0.750 CB 1.717 9 residues pruned to eliminate duplicates Z: 82 55.183 2.240 0.813 0.590 0.926 0.630 CB 1.496 82 residues pruned to eliminate duplicates Z: 48 38.306 2.133 0.767 0.520 0.936 0.553 CB 1.552 48 residues pruned to eliminate duplicates Z: 49 29.737 2.128 0.641 0.435 0.875 0.458 CB 1.502 49 residues pruned to eliminate duplicates Z: 91 46.458 2.183 0.664 0.520 0.922 0.556 CB 1.433 91 residues pruned to eliminate duplicates Z: 37 23.833 2.000 0.605 0.419 0.944 0.556 CB 1.427 37 residues pruned to eliminate duplicates Z: 45 31.251 2.132 0.663 0.475 0.909 0.523 CB 1.499 45 residues pruned to eliminate duplicates Z: 45 28.661 2.103 0.665 0.440 0.886 0.477 CB 1.480 45 residues pruned to eliminate duplicates Z: 31 30.543 2.111 0.687 0.550 0.967 0.500 CB 1.542 31 residues pruned to eliminate duplicates Z: 134 65.103 2.211 0.678 0.576 0.925 0.632 CB 1.529 134 residues pruned to eliminate duplicates Z: 45 36.207 2.137 0.717 0.514 0.955 0.614 CB 1.537 45 residues pruned to eliminate duplicates Z: 24 27.391 1.998 0.753 0.618 1.000 0.435 CB 1.459 24 residues pruned to eliminate duplicates Z: 38 27.297 2.035 0.672 0.448 0.892 0.514 CA 1.559 38 residues pruned to eliminate duplicates Z: 51 36.416 2.160 0.672 0.495 0.960 0.560 CB 1.492 51 residues pruned to eliminate duplicates Z: 52 31.572 2.098 0.738 0.430 0.902 0.412 CB 1.445 52 residues pruned to eliminate duplicates Z: 33 30.749 2.081 0.744 0.544 0.938 0.625 CB 1.531 33 residues pruned to eliminate duplicates Z: 55 33.032 2.091 0.670 0.463 0.926 0.481 CB 1.443 55 residues pruned to eliminate duplicates Z: 45 30.350 2.059 0.667 0.466 0.909 0.455 CB 1.518 45 residues pruned to eliminate duplicates Z: 42 22.148 2.116 0.574 0.433 0.805 0.488 CB 1.382 42 residues pruned to eliminate duplicates Z: 46 35.555 2.126 0.788 0.507 0.933 0.556 CB 1.484 46 residues pruned to eliminate duplicates Z: 53 34.062 2.122 0.694 0.464 0.923 0.423 CB 1.476 53 residues pruned to eliminate duplicates Z: 45 36.134 2.157 0.746 0.491 0.955 0.500 CB 1.529 45 residues pruned to eliminate duplicates Z: 86 45.118 2.200 0.635 0.536 0.906 0.588 CB 1.451 86 residues pruned to eliminate duplicates Z: 53 28.148 2.087 0.584 0.430 0.865 0.519 CB 1.467 53 residues pruned to eliminate duplicates Z: 37 22.777 2.106 0.523 0.412 0.889 0.417 CB 1.459 37 residues pruned to eliminate duplicates Z: 85 52.570 2.240 0.694 0.566 0.929 0.619 CB 1.527 85 residues pruned to eliminate duplicates Z: 82 51.353 2.209 0.724 0.540 0.951 0.593 CB 1.515 82 residues pruned to eliminate duplicates Z: 45 29.213 2.078 0.658 0.443 0.886 0.500 CB 1.528 45 residues pruned to eliminate duplicates Z: 53 32.347 2.139 0.657 0.456 0.885 0.442 CB 1.497 53 residues pruned to eliminate duplicates Z: 52 36.077 2.122 0.744 0.481 0.941 0.373 CB 1.479 52 residues pruned to eliminate duplicates Z: 10 9.311 2.100 0.574 0.423 0.889 0.333 CB 1.145 10 residues pruned to eliminate duplicates Z: 86 51.689 2.183 0.734 0.551 0.929 0.600 CB 1.517 86 residues pruned to eliminate duplicates Z: 91 53.229 2.206 0.742 0.571 0.911 0.600 CB 1.496 91 residues pruned to eliminate duplicates Z: 16 14.452 2.208 0.409 0.485 0.800 0.667 CB 1.522 16 residues pruned to eliminate duplicates Z: 51 35.695 2.153 0.727 0.513 0.900 0.580 CB 1.489 51 residues pruned to eliminate duplicates Z: 46 25.330 2.035 0.641 0.460 0.867 0.556 CB 1.359 46 residues pruned to eliminate duplicates Z: 74 47.095 2.208 0.710 0.580 0.918 0.616 CB 1.473 74 residues pruned to eliminate duplicates Z: 93 52.352 2.199 0.707 0.557 0.913 0.641 CB 1.507 93 residues pruned to eliminate duplicates Z: 47 37.944 2.260 0.687 0.606 0.891 0.609 CB 1.488 47 residues pruned to eliminate duplicates Z: 69 40.946 2.215 0.733 0.543 0.882 0.618 CB 1.406 69 residues pruned to eliminate duplicates Z: 108 63.073 2.330 0.702 0.584 0.907 0.682 CB 1.565 108 residues pruned to eliminate duplicates Z: 48 40.006 2.269 0.700 0.592 0.915 0.617 CB 1.514 48 residues pruned to eliminate duplicates Z: 109 63.035 2.328 0.659 0.592 0.917 0.657 CB 1.569 109 residues pruned to eliminate duplicates Z: 109 57.336 2.261 0.631 0.577 0.917 0.657 CB 1.516 109 residues pruned to eliminate duplicates Z: 74 41.642 2.252 0.641 0.567 0.877 0.630 CB 1.410 74 residues pruned to eliminate duplicates Z: 47 37.519 2.320 0.640 0.605 0.870 0.674 CB 1.514 47 residues pruned to eliminate duplicates Z: 51 38.221 2.251 0.726 0.555 0.880 0.660 CB 1.499 51 residues pruned to eliminate duplicates Z: 51 43.167 2.300 0.842 0.590 0.900 0.640 CB 1.469 51 residues pruned to eliminate duplicates Z: 82 55.535 2.227 0.811 0.587 0.938 0.617 CB 1.501 82 residues pruned to eliminate duplicates Z: 86 53.559 2.276 0.646 0.624 0.894 0.671 CB 1.542 86 residues pruned to eliminate duplicates Z: 41 43.403 2.323 0.894 0.637 0.900 0.650 CB 1.524 41 residues pruned to eliminate duplicates Z: 55 42.663 2.298 0.754 0.598 0.889 0.648 CB 1.475 55 residues pruned to eliminate duplicates Z: 92 53.726 2.237 0.736 0.566 0.901 0.538 CB 1.510 92 residues pruned to eliminate duplicates Z: 47 43.059 2.268 0.868 0.573 0.935 0.674 CB 1.494 47 residues pruned to eliminate duplicates Z: 94 58.836 2.219 0.822 0.581 0.935 0.591 CB 1.492 94 residues pruned to eliminate duplicates Z: 41 41.627 2.256 0.874 0.670 0.875 0.600 CB 1.521 41 residues pruned to eliminate duplicates Z: 42 46.932 2.269 1.065 0.684 0.902 0.561 CB 1.464 42 residues pruned to eliminate duplicates Z: 82 60.636 2.243 0.800 0.672 0.951 0.556 CB 1.498 82 residues pruned to eliminate duplicates Z: 42 41.555 2.233 0.987 0.677 0.902 0.561 CB 1.376 42 residues pruned to eliminate duplicates Z: 63 45.586 2.272 0.795 0.603 0.919 0.581 CB 1.400 63 residues pruned to eliminate duplicates Z: 42 43.185 2.243 1.069 0.653 0.854 0.439 CB 1.476 42 residues pruned to eliminate duplicates Z: 54 45.375 2.269 0.926 0.592 0.887 0.472 CB 1.473 54 residues pruned to eliminate duplicates Z: 47 45.142 2.300 0.989 0.595 0.870 0.370 CB 1.528 47 residues pruned to eliminate duplicates Z: 56 42.482 2.280 0.819 0.570 0.909 0.436 CB 1.419 56 residues pruned to eliminate duplicates Z: 39 43.201 2.236 1.039 0.683 0.921 0.526 CB 1.410 39 residues pruned to eliminate duplicates Z: 60 44.360 2.211 0.945 0.553 0.831 0.424 CB 1.535 60 residues pruned to eliminate duplicates Z: 41 44.499 2.294 1.039 0.654 0.875 0.400 CB 1.490 41 residues pruned to eliminate duplicates Z: 99 53.223 2.197 0.810 0.555 0.878 0.561 CB 1.460 99 residues pruned to eliminate duplicates Z: 48 43.847 2.241 0.943 0.587 0.915 0.426 CB 1.477 48 residues pruned to eliminate duplicates Z: 51 48.514 2.239 1.114 0.626 0.880 0.480 CB 1.463 51 residues pruned to eliminate duplicates Z: 42 45.463 2.283 1.086 0.639 0.902 0.341 CB 1.450 42 residues pruned to eliminate duplicates Z: 57 44.922 2.271 0.906 0.590 0.893 0.518 CB 1.425 57 residues pruned to eliminate duplicates Z: 48 45.984 2.291 1.007 0.588 0.872 0.489 CB 1.537 48 residues pruned to eliminate duplicates Z: 56 42.590 2.235 0.842 0.568 0.927 0.491 CB 1.409 56 residues pruned to eliminate duplicates Z: 57 47.416 2.275 0.952 0.580 0.911 0.482 CB 1.451 57 residues pruned to eliminate duplicates Z: 69 44.396 2.200 0.852 0.563 0.853 0.441 CB 1.458 69 residues pruned to eliminate duplicates Z: 20 25.903 2.147 0.946 0.710 0.842 0.737 CB 1.396 20 residues pruned to eliminate duplicates Z: 100 59.244 2.202 0.906 0.585 0.889 0.495 CB 1.471 100 residues pruned to eliminate duplicates Z: 17 26.664 2.136 0.762 0.590 1.000 0.688 CB 1.626 17 residues pruned to eliminate duplicates Z: 18 23.748 2.145 0.839 0.583 0.941 0.706 CB 1.432 18 residues pruned to eliminate duplicates Z: 43 40.397 2.226 0.665 0.660 0.929 0.667 CB 1.561 43 residues pruned to eliminate duplicates Z: 64 49.869 2.242 0.899 0.607 0.921 0.556 CB 1.448 64 residues pruned to eliminate duplicates Z: 41 40.637 2.297 0.675 0.661 0.925 0.725 CB 1.555 41 residues pruned to eliminate duplicates Z: 15 24.498 2.200 0.794 0.620 0.929 0.786 CB 1.595 15 residues pruned to eliminate duplicates Z: 104 60.556 2.177 0.931 0.577 0.913 0.563 CB 1.444 104 residues pruned to eliminate duplicates Z: 46 35.053 2.177 0.593 0.604 0.933 0.711 CB 1.462 46 residues pruned to eliminate duplicates Z: 50 34.468 2.092 0.722 0.575 0.918 0.633 CB 1.384 50 residues pruned to eliminate duplicates Z: 60 53.441 2.386 0.686 0.594 0.932 0.661 CB 1.696 60 residues pruned to eliminate duplicates Z: 39 44.882 2.289 0.834 0.649 0.947 0.711 CB 1.593 39 residues pruned to eliminate duplicates Z: 63 50.887 2.352 0.608 0.577 0.935 0.677 CB 1.696 63 residues pruned to eliminate duplicates Z: 61 47.897 2.293 0.645 0.553 0.950 0.617 CB 1.639 61 residues pruned to eliminate duplicates Z: 40 37.105 2.264 0.631 0.613 0.897 0.641 CB 1.610 40 residues pruned to eliminate duplicates Z: 62 50.462 2.328 0.731 0.551 0.951 0.639 CB 1.605 62 residues pruned to eliminate duplicates Z: 101 54.582 2.204 0.653 0.546 0.960 0.650 CB 1.492 101 residues pruned to eliminate duplicates Z: 35 35.261 2.139 0.815 0.610 0.912 0.647 CB 1.540 35 residues pruned to eliminate duplicates Z: 66 51.134 2.268 0.720 0.568 0.954 0.662 CB 1.595 66 residues pruned to eliminate duplicates Z: 66 45.457 2.181 0.777 0.585 0.892 0.492 CB 1.503 66 residues pruned to eliminate duplicates Z: 61 47.782 2.258 0.762 0.565 0.917 0.600 CB 1.588 61 residues pruned to eliminate duplicates Z: 59 56.467 2.361 0.848 0.575 0.931 0.655 CB 1.698 59 residues pruned to eliminate duplicates Z: 49 30.161 2.197 0.670 0.464 0.771 0.562 CB 1.597 49 residues pruned to eliminate duplicates Z: 43 37.290 2.233 0.679 0.595 0.881 0.690 CB 1.591 43 residues pruned to eliminate duplicates Z: 108 54.784 2.210 0.645 0.547 0.944 0.570 CB 1.474 108 residues pruned to eliminate duplicates Z: 42 42.195 2.268 0.655 0.612 0.976 0.561 CB 1.619 42 residues pruned to eliminate duplicates Z: 61 45.433 2.338 0.606 0.591 0.900 0.533 CB 1.590 61 residues pruned to eliminate duplicates Z: 109 57.692 2.243 0.724 0.581 0.898 0.491 CB 1.478 109 residues pruned to eliminate duplicates Z: 44 37.817 2.217 0.567 0.613 0.953 0.628 CB 1.564 44 residues pruned to eliminate duplicates Z: 37 35.728 2.283 0.497 0.667 0.944 0.667 CB 1.580 37 residues pruned to eliminate duplicates Z: 62 53.619 2.332 0.733 0.558 0.951 0.607 CB 1.689 62 residues pruned to eliminate duplicates Z: 43 35.958 2.220 0.529 0.580 0.952 0.571 CB 1.589 43 residues pruned to eliminate duplicates Z: 63 41.589 2.194 0.735 0.620 0.887 0.613 CB 1.397 63 residues pruned to eliminate duplicates Z: 35 31.976 2.228 0.608 0.629 0.853 0.559 CB 1.589 35 residues pruned to eliminate duplicates Z: 63 53.528 2.332 0.763 0.563 0.952 0.597 CB 1.634 63 residues pruned to eliminate duplicates Z: 39 30.830 2.164 0.546 0.543 0.921 0.605 CB 1.557 39 residues pruned to eliminate duplicates Z: 41 39.681 2.268 0.778 0.648 0.900 0.725 CB 1.506 41 residues pruned to eliminate duplicates Z: 51 47.825 2.341 0.701 0.572 0.960 0.680 CB 1.650 51 residues pruned to eliminate duplicates Z: 66 48.952 2.296 0.665 0.555 0.923 0.631 CB 1.631 66 residues pruned to eliminate duplicates Z: 64 48.963 2.345 0.558 0.553 0.952 0.619 CB 1.683 64 residues pruned to eliminate duplicates Z: 65 54.779 2.341 0.771 0.566 0.953 0.641 CB 1.625 65 residues pruned to eliminate duplicates Z: 63 45.148 2.344 0.562 0.528 0.919 0.613 CB 1.657 63 residues pruned to eliminate duplicates Z: 24 34.858 2.447 0.627 0.510 1.000 0.652 CB 1.809 24 residues pruned to eliminate duplicates Z: 62 49.445 2.328 0.620 0.583 0.934 0.623 CB 1.658 62 residues pruned to eliminate duplicates Z: 27 28.236 2.319 0.655 0.466 0.885 0.500 CB 1.688 27 residues pruned to eliminate duplicates Z: 40 30.797 2.075 0.680 0.501 0.949 0.641 CB 1.491 40 residues pruned to eliminate duplicates Z: 23 28.325 2.392 0.623 0.461 0.909 0.636 CB 1.781 23 residues pruned to eliminate duplicates Z: 25 33.614 2.394 0.741 0.492 0.958 0.583 CB 1.732 25 residues pruned to eliminate duplicates Z: 25 31.117 2.330 0.798 0.502 0.958 0.625 CB 1.578 25 residues pruned to eliminate duplicates Z: 22 35.899 2.490 0.797 0.434 0.952 0.476 CA 1.968 22 residues pruned to eliminate duplicates Z: 45 25.957 2.032 0.465 0.450 0.909 0.614 CB 1.522 45 residues pruned to eliminate duplicates Z: 25 30.828 2.295 0.650 0.466 0.958 0.667 CB 1.795 25 residues pruned to eliminate duplicates Z: 89 40.784 2.104 0.604 0.484 0.898 0.557 CB 1.458 89 residues pruned to eliminate duplicates Z: 36 30.642 2.173 0.681 0.460 0.943 0.600 CB 1.567 36 residues pruned to eliminate duplicates Z: 24 36.880 2.446 0.878 0.464 0.957 0.609 CB 1.816 24 residues pruned to eliminate duplicates Z: 14 17.044 2.220 0.525 0.432 0.923 0.385 CA 1.624 14 residues pruned to eliminate duplicates Z: 43 29.681 2.024 0.635 0.505 0.952 0.500 CB 1.446 43 residues pruned to eliminate duplicates Z: 48 27.404 2.050 0.590 0.425 0.915 0.553 CB 1.449 48 residues pruned to eliminate duplicates Z: 25 40.422 2.457 0.866 0.533 0.958 0.708 CA 1.817 25 residues pruned to eliminate duplicates Z: 82 47.890 2.207 0.675 0.502 0.951 0.506 CB 1.511 82 residues pruned to eliminate duplicates Z: 36 28.129 2.245 0.754 0.374 0.857 0.543 CB 1.611 36 residues pruned to eliminate duplicates Z: 66 52.432 2.316 0.724 0.586 0.923 0.646 CB 1.624 66 residues pruned to eliminate duplicates Z: 113 51.891 2.198 0.586 0.535 0.911 0.545 CB 1.494 113 residues pruned to eliminate duplicates Z: 57 34.494 2.123 0.579 0.502 0.964 0.500 CB 1.423 57 residues pruned to eliminate duplicates Z: 25 39.626 2.435 0.878 0.519 0.958 0.625 CA 1.812 25 residues pruned to eliminate duplicates Z: 46 39.061 2.161 0.725 0.571 0.978 0.578 CB 1.490 46 residues pruned to eliminate duplicates Z: 42 26.281 2.072 0.573 0.494 0.902 0.537 CB 1.405 42 residues pruned to eliminate duplicates Z: 40 26.766 2.090 0.548 0.481 0.974 0.590 CB 1.385 40 residues pruned to eliminate duplicates Z: 37 28.014 2.061 0.620 0.532 0.972 0.528 CB 1.393 37 residues pruned to eliminate duplicates Z: 44 29.267 2.081 0.666 0.518 0.907 0.465 CB 1.395 44 residues pruned to eliminate duplicates Z: 24 17.735 1.973 0.685 0.602 0.870 0.522 CB 1.161 24 residues pruned to eliminate duplicates Z: 105 53.847 2.190 0.676 0.549 0.933 0.615 CB 1.470 105 residues pruned to eliminate duplicates Z: 39 26.458 2.030 0.663 0.493 0.947 0.500 CB 1.351 39 residues pruned to eliminate duplicates Z: 39 28.146 2.058 0.690 0.518 0.974 0.605 CB 1.324 39 residues pruned to eliminate duplicates Z: 30 26.440 2.075 0.602 0.547 0.966 0.586 CB 1.460 30 residues pruned to eliminate duplicates Z: 23 17.405 1.959 0.664 0.621 0.909 0.455 CB 1.116 23 residues pruned to eliminate duplicates Z: 13 9.747 1.921 0.303 0.606 0.833 0.417 CB 1.220 13 residues pruned to eliminate duplicates Z: 48 24.291 2.033 0.561 0.448 0.872 0.511 CB 1.350 48 residues pruned to eliminate duplicates Z: 42 27.462 2.074 0.644 0.516 0.951 0.537 CB 1.302 42 residues pruned to eliminate duplicates Z: 17 10.320 1.803 0.411 0.444 0.875 0.375 CB 1.228 17 residues pruned to eliminate duplicates Z: 46 31.775 2.104 0.648 0.514 0.933 0.556 CB 1.444 46 residues pruned to eliminate duplicates Z: 43 31.939 2.109 0.672 0.527 0.952 0.452 CB 1.429 43 residues pruned to eliminate duplicates Z: 74 38.873 2.157 0.576 0.530 0.904 0.603 CB 1.438 74 residues pruned to eliminate duplicates Z: 38 28.398 2.076 0.651 0.523 0.973 0.568 CB 1.368 38 residues pruned to eliminate duplicates Z: 50 30.302 2.093 0.584 0.506 0.918 0.469 CB 1.413 50 residues pruned to eliminate duplicates Z: 44 25.362 2.055 0.607 0.509 0.860 0.605 CB 1.348 44 residues pruned to eliminate duplicates Z: 46 30.465 2.098 0.635 0.516 0.956 0.533 CB 1.364 46 residues pruned to eliminate duplicates Z: 43 26.088 2.033 0.711 0.456 0.881 0.500 CB 1.374 43 residues pruned to eliminate duplicates Z: 152 75.697 2.271 0.742 0.569 0.940 0.616 CB 1.549 152 residues pruned to eliminate duplicates Z: 6 8.278 1.995 0.640 0.432 1.000 1.000 CA 1.214 6 residues pruned to eliminate duplicates Z: 42 22.288 2.037 0.485 0.420 0.854 0.415 CB 1.465 42 residues pruned to eliminate duplicates Z: 52 28.092 2.096 0.561 0.456 0.941 0.490 CB 1.336 52 residues pruned to eliminate duplicates Z: 56 30.824 2.068 0.597 0.457 0.945 0.455 CB 1.390 56 residues pruned to eliminate duplicates Z: 53 26.877 2.045 0.563 0.467 0.904 0.519 CB 1.333 53 residues pruned to eliminate duplicates Z: 43 29.562 2.122 0.625 0.504 0.905 0.476 CB 1.457 43 residues pruned to eliminate duplicates Z: 54 28.894 2.026 0.618 0.477 0.887 0.528 CB 1.397 54 residues pruned to eliminate duplicates Z: 51 27.823 2.048 0.651 0.483 0.920 0.440 CB 1.287 51 residues pruned to eliminate duplicates Z: 53 26.759 2.044 0.582 0.430 0.923 0.404 CB 1.336 53 residues pruned to eliminate duplicates Z: 50 31.021 2.097 0.649 0.503 0.918 0.571 CB 1.392 50 residues pruned to eliminate duplicates Z: 45 30.827 2.083 0.674 0.511 0.932 0.545 CB 1.414 45 residues pruned to eliminate duplicates Z: 72 38.542 2.086 0.782 0.506 0.915 0.521 CB 1.336 72 residues pruned to eliminate duplicates Z: 17 14.347 2.063 0.647 0.470 0.812 0.375 CB 1.340 17 residues pruned to eliminate duplicates Z: 48 24.701 2.045 0.554 0.424 0.851 0.426 CB 1.442 48 residues pruned to eliminate duplicates Z: 84 50.085 2.162 0.713 0.585 0.928 0.627 CB 1.475 84 residues pruned to eliminate duplicates Z: 52 28.157 2.029 0.666 0.499 0.922 0.510 CB 1.267 52 residues pruned to eliminate duplicates Z: 41 28.821 2.181 0.718 0.479 0.875 0.575 CB 1.420 41 residues pruned to eliminate duplicates Z: 142 60.755 2.255 0.590 0.533 0.915 0.645 CB 1.510 142 residues pruned to eliminate duplicates Z: 83 52.085 2.202 0.768 0.603 0.927 0.585 CB 1.446 83 residues pruned to eliminate duplicates Z: 6 5.097 1.860 0.675 0.231 0.800 0.400 CB 1.252 6 residues pruned to eliminate duplicates Z: 14 6.491 1.857 0.699 0.175 0.615 0.385 CB 1.374 14 residues pruned to eliminate duplicates Z: 8 3.393 1.636 0.459 0.227 0.571 0.286 CA 1.293 8 residues pruned to eliminate duplicates Z: 100 49.598 2.164 0.710 0.566 0.899 0.586 CB 1.405 100 residues pruned to eliminate duplicates Z: 56 41.546 2.221 0.750 0.587 0.855 0.636 CB 1.552 56 residues pruned to eliminate duplicates Z: 39 36.684 2.230 0.701 0.641 0.868 0.737 CB 1.582 39 residues pruned to eliminate duplicates Z: 36 31.663 2.207 0.909 0.543 0.829 0.600 CB 1.471 36 residues pruned to eliminate duplicates Z: 57 39.043 2.233 0.669 0.578 0.911 0.625 CB 1.425 57 residues pruned to eliminate duplicates Z: 94 51.447 2.207 0.693 0.568 0.892 0.581 CB 1.498 94 residues pruned to eliminate duplicates Z: 48 40.503 2.285 0.784 0.563 0.872 0.660 CB 1.564 48 residues pruned to eliminate duplicates Z: 38 46.254 2.285 0.895 0.662 0.919 0.703 CB 1.645 38 residues pruned to eliminate duplicates Z: 76 44.420 2.133 0.784 0.526 0.933 0.560 CB 1.408 76 residues pruned to eliminate duplicates Z: 51 37.980 2.247 0.669 0.570 0.920 0.620 CB 1.455 51 residues pruned to eliminate duplicates Z: 43 41.717 2.183 0.839 0.617 0.905 0.595 CB 1.586 43 residues pruned to eliminate duplicates Z: 50 36.198 2.200 0.782 0.532 0.837 0.531 CB 1.528 50 residues pruned to eliminate duplicates Z: 79 63.147 2.300 0.858 0.648 0.936 0.679 CB 1.558 79 residues pruned to eliminate duplicates Z: 58 42.504 2.263 0.831 0.568 0.860 0.509 CB 1.480 58 residues pruned to eliminate duplicates Z: 46 43.046 2.268 0.899 0.597 0.867 0.444 CB 1.567 46 residues pruned to eliminate duplicates Z: 84 40.631 2.107 0.703 0.501 0.867 0.458 CB 1.431 84 residues pruned to eliminate duplicates Z: 49 42.421 2.251 0.839 0.593 0.854 0.542 CB 1.585 49 residues pruned to eliminate duplicates Z: 87 54.651 2.191 0.817 0.567 0.953 0.535 CB 1.455 87 residues pruned to eliminate duplicates Z: 87 49.973 2.167 0.734 0.550 0.930 0.488 CB 1.468 87 residues pruned to eliminate duplicates Z: 37 46.260 2.311 0.907 0.673 0.944 0.639 CB 1.580 37 residues pruned to eliminate duplicates Z: 50 40.982 2.268 0.770 0.554 0.878 0.429 CB 1.576 50 residues pruned to eliminate duplicates Z: 52 35.201 2.159 0.793 0.533 0.843 0.451 CB 1.462 52 residues pruned to eliminate duplicates Z: 51 39.558 2.161 0.916 0.517 0.860 0.420 CB 1.545 51 residues pruned to eliminate duplicates Z: 59 48.343 2.258 0.898 0.591 0.897 0.500 CB 1.514 59 residues pruned to eliminate duplicates Z: 39 46.902 2.222 1.128 0.640 0.947 0.395 CB 1.489 39 residues pruned to eliminate duplicates Z: 106 68.007 2.328 0.780 0.582 0.905 0.629 CB 1.637 106 residues pruned to eliminate duplicates Z: 54 47.133 2.245 0.941 0.559 0.906 0.509 CB 1.550 54 residues pruned to eliminate duplicates Z: 40 36.769 2.201 0.914 0.630 0.821 0.462 CB 1.507 40 residues pruned to eliminate duplicates Z: 93 55.379 2.187 0.809 0.553 0.957 0.500 CB 1.449 93 residues pruned to eliminate duplicates Z: 42 46.474 2.326 1.042 0.651 0.854 0.463 CB 1.555 42 residues pruned to eliminate duplicates Z: 38 49.035 2.290 1.107 0.658 0.892 0.378 CB 1.617 38 residues pruned to eliminate duplicates Z: 51 45.774 2.245 0.957 0.573 0.900 0.480 CB 1.526 51 residues pruned to eliminate duplicates Z: 93 54.403 2.193 0.810 0.562 0.924 0.500 CB 1.456 93 residues pruned to eliminate duplicates Z: 92 59.250 2.303 0.838 0.578 0.879 0.495 CB 1.548 92 residues pruned to eliminate duplicates Z: 102 54.895 2.209 0.833 0.563 0.901 0.495 CB 1.409 102 residues pruned to eliminate duplicates Z: 48 34.488 2.206 0.871 0.532 0.787 0.340 CB 1.501 48 residues pruned to eliminate duplicates Z: 53 41.051 2.269 0.865 0.580 0.885 0.442 CB 1.409 53 residues pruned to eliminate duplicates Z: 46 49.468 2.299 1.007 0.587 0.933 0.422 CB 1.576 46 residues pruned to eliminate duplicates Z: 84 58.361 2.297 0.828 0.611 0.904 0.458 CB 1.520 84 residues pruned to eliminate duplicates Z: 50 40.921 2.251 0.858 0.528 0.878 0.429 CB 1.549 50 residues pruned to eliminate duplicates Z: 88 53.528 2.265 0.789 0.582 0.874 0.425 CB 1.499 88 residues pruned to eliminate duplicates Z: 35 38.828 2.313 0.648 0.671 0.941 0.706 CB 1.585 35 residues pruned to eliminate duplicates Z: 87 58.674 2.249 0.873 0.593 0.907 0.570 CB 1.515 87 residues pruned to eliminate duplicates Z: 43 36.698 2.206 0.664 0.594 0.929 0.619 CB 1.518 43 residues pruned to eliminate duplicates Z: 41 38.228 2.278 0.649 0.564 0.950 0.675 CB 1.592 41 residues pruned to eliminate duplicates Z: 109 64.480 2.287 0.834 0.568 0.889 0.574 CB 1.558 108 residues pruned to eliminate duplicates Z: 7 10.551 1.996 1.305 0.308 0.833 0.667 CA 1.390 7 residues pruned to eliminate duplicates Z: 79 56.943 2.293 0.829 0.613 0.910 0.628 CB 1.518 79 residues pruned to eliminate duplicates Z: 35 35.520 2.267 0.752 0.639 0.912 0.676 CB 1.477 35 residues pruned to eliminate duplicates Z: 73 46.091 2.226 0.714 0.500 0.931 0.569 CB 1.531 73 residues pruned to eliminate duplicates Z: 40 39.979 2.304 0.859 0.611 0.923 0.590 CB 1.458 40 residues pruned to eliminate duplicates Z: 32 38.530 2.273 0.810 0.670 0.935 0.613 CB 1.537 32 residues pruned to eliminate duplicates Z: 44 40.731 2.211 0.874 0.626 0.953 0.628 CB 1.396 44 residues pruned to eliminate duplicates Z: 34 39.266 2.278 0.711 0.665 1.000 0.667 CB 1.504 34 residues pruned to eliminate duplicates Z: 62 50.788 2.330 0.768 0.565 0.984 0.639 CB 1.507 62 residues pruned to eliminate duplicates Z: 97 62.507 2.302 0.825 0.585 0.885 0.573 CB 1.580 97 residues pruned to eliminate duplicates Z: 35 36.227 2.297 0.669 0.650 0.941 0.618 CB 1.498 35 residues pruned to eliminate duplicates Z: 42 36.464 2.255 0.682 0.629 0.951 0.610 CB 1.398 42 residues pruned to eliminate duplicates Z: 32 37.612 2.324 0.638 0.661 1.000 0.677 CB 1.529 32 residues pruned to eliminate duplicates Z: 35 40.051 2.261 0.752 0.663 1.000 0.676 CB 1.491 35 residues pruned to eliminate duplicates Z: 67 54.605 2.302 0.762 0.589 0.939 0.652 CB 1.620 67 residues pruned to eliminate duplicates Z: 54 50.548 2.379 0.670 0.571 0.962 0.604 CB 1.696 54 residues pruned to eliminate duplicates Z: 27 33.786 2.266 0.682 0.658 0.923 0.692 CB 1.626 27 residues pruned to eliminate duplicates Z: 134 61.104 2.161 0.826 0.560 0.895 0.586 CB 1.416 134 residues pruned to eliminate duplicates Z: 107 72.891 2.339 0.874 0.595 0.943 0.585 CB 1.565 108 residues pruned to eliminate duplicates Z: 20 30.431 2.336 0.265 0.867 1.000 0.789 CB 1.729 20 residues pruned to eliminate duplicates Z: 46 37.862 2.205 0.660 0.570 0.978 0.511 CB 1.473 46 residues pruned to eliminate duplicates Z: 61 50.032 2.337 0.679 0.603 0.967 0.617 CB 1.544 61 residues pruned to eliminate duplicates Z: 61 48.467 2.316 0.706 0.543 0.950 0.567 CB 1.598 61 residues pruned to eliminate duplicates Z: 34 39.822 2.391 0.857 0.448 0.970 0.606 CB 1.698 34 residues pruned to eliminate duplicates Z: 63 48.520 2.345 0.643 0.557 0.952 0.677 CB 1.591 63 residues pruned to eliminate duplicates Z: 62 49.666 2.316 0.718 0.585 0.967 0.672 CB 1.523 62 residues pruned to eliminate duplicates Z: 64 45.056 2.323 0.689 0.517 0.905 0.540 CB 1.573 64 residues pruned to eliminate duplicates Z: 65 46.841 2.295 0.629 0.541 0.953 0.578 CB 1.577 65 residues pruned to eliminate duplicates Z: 53 47.864 2.346 0.819 0.569 0.942 0.635 CB 1.543 53 residues pruned to eliminate duplicates Z: 27 27.868 2.348 0.665 0.438 0.846 0.615 CB 1.762 27 residues pruned to eliminate duplicates Z: 21 25.745 2.403 0.820 0.491 0.850 0.750 CB 1.562 21 residues pruned to eliminate duplicates Z: 12 25.430 2.563 0.642 0.567 0.909 0.909 CA 1.878 12 residues pruned to eliminate duplicates Z: 29 27.255 2.261 0.720 0.407 0.857 0.679 CB 1.704 29 residues pruned to eliminate duplicates Z: 28 25.209 2.303 0.643 0.400 0.889 0.556 CB 1.603 28 residues pruned to eliminate duplicates Z: 64 52.233 2.364 0.680 0.590 0.937 0.683 CB 1.622 64 residues pruned to eliminate duplicates Z: 61 44.173 2.182 0.784 0.494 0.950 0.583 CB 1.551 61 residues pruned to eliminate duplicates Z: 30 26.296 2.226 0.706 0.400 0.862 0.586 CA 1.658 30 residues pruned to eliminate duplicates Z: 38 34.201 2.208 0.770 0.479 0.973 0.595 CB 1.511 38 residues pruned to eliminate duplicates Z: 29 23.794 2.134 0.721 0.457 0.929 0.536 CB 1.379 29 residues pruned to eliminate duplicates Z: 112 68.097 2.328 0.782 0.564 0.946 0.532 CB 1.548 112 residues pruned to eliminate duplicates Z: 27 27.731 2.323 0.723 0.443 0.885 0.615 CB 1.630 27 residues pruned to eliminate duplicates Z: 64 45.906 2.344 0.680 0.534 0.905 0.651 CB 1.570 64 residues pruned to eliminate duplicates Z: 11 17.595 2.289 0.685 0.427 0.900 0.500 CA 1.730 11 residues pruned to eliminate duplicates Z: 25 39.263 2.423 0.786 0.534 1.000 0.708 CB 1.791 25 residues pruned to eliminate duplicates Z: 26 31.244 2.285 0.837 0.446 0.960 0.600 CB 1.640 26 residues pruned to eliminate duplicates Z: 65 49.874 2.311 0.699 0.549 0.938 0.547 CB 1.614 65 residues pruned to eliminate duplicates Z: 26 35.188 2.339 0.771 0.537 0.960 0.760 CB 1.706 26 residues pruned to eliminate duplicates Z: 14 21.667 2.198 0.913 0.444 1.000 0.692 CA 1.514 14 residues pruned to eliminate duplicates Z: 14 26.833 2.164 1.060 0.513 1.000 0.615 CA 1.648 14 residues pruned to eliminate duplicates Z: 9 12.432 1.856 0.790 0.541 1.000 0.625 CA 1.270 9 residues pruned to eliminate duplicates Z: 9 18.901 2.027 1.141 0.605 1.000 0.750 CA 1.394 9 residues pruned to eliminate duplicates Z: 25 39.630 2.425 0.784 0.540 1.000 0.750 CB 1.797 25 residues pruned to eliminate duplicates Z: 26 35.484 2.341 0.806 0.491 0.960 0.640 CB 1.764 26 residues pruned to eliminate duplicates 439 residues left after pruning, divided into chains as follows: A: 139 B: 90 C: 210 CC for partial structure against native data = 46.32 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.519, Connect. = 0.747 for dens.mod. cycle 1 = 0.300, Contrast = 0.596, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.720, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.737, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.754, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.760, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.767, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.770, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.773, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.774, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2303 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 529 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 63 50.934 2.342 0.792 0.584 0.919 0.677 CB 1.547 B: 19 35.141 2.283 0.542 0.882 1.000 0.667 CB 1.702 19 residues pruned to eliminate duplicates C: 24 30.530 2.323 0.764 0.478 0.913 0.478 CB 1.740 24 residues pruned to eliminate duplicates D: 59 42.687 2.204 0.712 0.563 0.914 0.621 CB 1.529 E: 19 32.821 2.289 0.697 0.889 0.889 0.778 CB 1.613 19 residues pruned to eliminate duplicates F: 20 36.231 2.335 0.535 0.878 1.000 0.789 CB 1.683 G: 17 35.052 2.409 0.440 0.927 1.000 0.875 CB 1.770 17 residues pruned to eliminate duplicates H: 20 33.729 2.250 0.570 0.866 0.947 0.632 CB 1.693 20 residues pruned to eliminate duplicates I: 64 48.720 2.342 0.648 0.559 0.921 0.635 CB 1.632 64 residues pruned to eliminate duplicates J: 47 34.642 2.178 0.621 0.608 0.891 0.652 CB 1.465 47 residues pruned to eliminate duplicates K: 22 46.262 2.355 0.800 0.919 1.000 0.476 CB 1.679 L: 118 54.147 2.217 0.586 0.542 0.940 0.615 CB 1.453 48 residues pruned to eliminate duplicates M: 56 56.833 2.349 0.862 0.590 0.964 0.691 CB 1.669 20 residues pruned to eliminate duplicates N: 34 25.776 2.232 0.573 0.428 0.879 0.485 CB 1.567 34 residues pruned to eliminate duplicates O: 48 40.404 2.178 0.741 0.493 0.979 0.447 CB 1.600 48 residues pruned to eliminate duplicates P: 25 41.768 2.297 0.846 0.961 1.000 0.875 CB 1.376 Q: 68 38.024 2.171 0.650 0.493 0.910 0.507 CB 1.434 68 residues pruned to eliminate duplicates R: 26 36.147 2.342 0.837 0.486 1.000 0.640 CB 1.704 26 residues pruned to eliminate duplicates S: 20 28.973 2.292 0.316 0.863 0.947 0.789 CA 1.707 20 residues pruned to eliminate duplicates T: 15 26.664 2.368 0.336 0.903 1.000 0.929 CB 1.606 15 residues pruned to eliminate duplicates U: 38 22.942 2.028 0.541 0.420 0.892 0.486 CB 1.470 38 residues pruned to eliminate duplicates V: 18 30.826 2.247 0.306 0.935 1.000 0.882 CB 1.776 18 residues pruned to eliminate duplicates W: 38 30.381 2.168 0.544 0.468 0.973 0.541 CB 1.583 38 residues pruned to eliminate duplicates X: 19 31.727 2.325 0.522 0.865 0.889 0.722 CB 1.742 19 residues pruned to eliminate duplicates Y: 30 30.816 2.267 0.842 0.433 0.931 0.552 CB 1.579 30 residues pruned to eliminate duplicates Z: 50 34.401 2.136 0.684 0.502 0.939 0.510 CB 1.453 50 residues pruned to eliminate duplicates Z: 27 38.638 2.210 0.795 0.899 0.962 0.846 CB 1.420 26 residues pruned to eliminate duplicates Z: 17 42.061 2.408 1.067 0.938 0.938 0.625 CB 1.567 17 residues pruned to eliminate duplicates Z: 19 37.412 2.319 0.660 0.884 1.000 0.667 CB 1.655 19 residues pruned to eliminate duplicates Z: 37 28.350 2.127 0.629 0.447 0.972 0.556 CB 1.481 37 residues pruned to eliminate duplicates Z: 45 35.312 2.143 0.756 0.519 0.909 0.523 CB 1.526 Z: 25 39.091 2.184 0.642 0.941 1.000 0.833 CB 1.544 Z: 63 27.759 2.022 0.646 0.448 0.887 0.500 CB 1.259 63 residues pruned to eliminate duplicates Z: 56 55.124 2.338 0.838 0.589 0.964 0.618 CB 1.649 56 residues pruned to eliminate duplicates Z: 23 44.975 2.361 0.768 0.942 1.000 0.818 CB 1.592 23 residues pruned to eliminate duplicates Z: 25 50.228 2.269 1.241 0.947 0.958 0.708 CB 1.453 24 residues pruned to eliminate duplicates Z: 27 39.114 2.398 0.808 0.507 1.000 0.615 CB 1.756 27 residues pruned to eliminate duplicates Z: 22 24.651 2.217 0.812 0.498 0.952 0.667 CB 1.409 17 residues pruned to eliminate duplicates Z: 25 33.235 2.095 0.602 0.929 0.958 0.833 CB 1.476 25 residues pruned to eliminate duplicates Z: 28 28.334 2.327 0.697 0.435 0.926 0.519 CB 1.595 28 residues pruned to eliminate duplicates Z: 20 25.913 2.203 0.457 0.823 0.895 0.737 CB 1.565 20 residues pruned to eliminate duplicates Z: 23 37.660 2.244 0.652 0.945 0.955 0.727 CB 1.570 23 residues pruned to eliminate duplicates Z: 10 24.044 2.139 0.895 0.897 1.000 0.889 CB 1.415 10 residues pruned to eliminate duplicates Z: 17 30.470 2.385 0.468 0.928 1.000 0.938 CB 1.523 17 residues pruned to eliminate duplicates Z: 26 32.595 2.212 0.373 0.954 1.000 0.920 CB 1.477 26 residues pruned to eliminate duplicates Z: 56 50.088 2.341 0.742 0.565 0.964 0.636 CB 1.614 56 residues pruned to eliminate duplicates Z: 10 17.752 2.043 0.754 0.887 0.889 0.778 CB 1.340 10 residues pruned to eliminate duplicates Z: 62 45.747 2.224 0.612 0.593 0.967 0.672 CB 1.546 59 residues pruned to eliminate duplicates Z: 50 30.922 2.091 0.663 0.486 0.898 0.449 CB 1.435 50 residues pruned to eliminate duplicates Z: 25 51.474 2.339 0.829 0.930 1.000 0.750 CB 1.718 25 residues pruned to eliminate duplicates Z: 35 37.432 2.265 0.578 0.694 0.971 0.765 CB 1.550 34 residues pruned to eliminate duplicates Z: 25 36.558 2.159 0.643 0.902 0.958 0.792 CB 1.567 25 residues pruned to eliminate duplicates Z: 18 31.983 2.354 0.440 0.904 0.941 0.706 CB 1.732 18 residues pruned to eliminate duplicates Z: 10 21.701 2.131 0.618 0.899 1.000 0.667 CB 1.499 10 residues pruned to eliminate duplicates Z: 26 33.075 2.374 0.766 0.513 0.960 0.600 CB 1.623 26 residues pruned to eliminate duplicates Z: 21 26.968 2.344 0.469 0.783 0.900 0.600 CB 1.516 21 residues pruned to eliminate duplicates Z: 21 54.257 2.397 1.051 0.931 1.000 0.550 CB 1.724 21 residues pruned to eliminate duplicates Z: 25 37.519 2.430 0.888 0.466 0.958 0.667 CB 1.804 25 residues pruned to eliminate duplicates Z: 16 40.789 2.378 0.845 0.905 1.000 0.667 CA 1.708 16 residues pruned to eliminate duplicates Z: 26 45.460 2.227 1.006 0.936 0.960 0.600 CB 1.476 26 residues pruned to eliminate duplicates Z: 24 41.702 2.210 0.676 0.955 1.000 0.913 CB 1.613 25 residues pruned to eliminate duplicates Z: 24 56.686 2.383 1.027 0.962 1.000 0.565 CB 1.674 24 residues pruned to eliminate duplicates Z: 9 24.453 2.165 0.994 0.884 1.000 0.750 CB 1.448 9 residues pruned to eliminate duplicates Z: 61 45.690 2.235 0.599 0.575 0.967 0.633 CB 1.588 61 residues pruned to eliminate duplicates Z: 143 68.567 2.264 0.735 0.575 0.908 0.577 CB 1.500 143 residues pruned to eliminate duplicates Z: 9 19.635 2.042 0.757 0.890 1.000 0.875 CA 1.393 9 residues pruned to eliminate duplicates Z: 25 29.235 2.197 0.384 0.948 1.000 1.000 CB 1.355 25 residues pruned to eliminate duplicates Z: 62 41.359 2.211 0.536 0.561 0.967 0.590 CB 1.519 62 residues pruned to eliminate duplicates Z: 9 13.654 1.972 0.590 0.806 0.875 0.625 CB 1.348 9 residues pruned to eliminate duplicates Z: 40 29.219 2.072 0.565 0.443 1.000 0.436 CB 1.530 40 residues pruned to eliminate duplicates Z: 97 69.482 2.319 0.863 0.609 0.927 0.583 CB 1.596 97 residues pruned to eliminate duplicates Z: 26 51.234 2.297 0.954 0.919 1.000 0.760 CB 1.609 26 residues pruned to eliminate duplicates Z: 38 36.898 2.252 0.709 0.665 0.892 0.730 CB 1.517 29 residues pruned to eliminate duplicates Z: 9 18.006 2.051 0.577 0.892 1.000 0.750 CA 1.414 9 residues pruned to eliminate duplicates Z: 25 36.642 2.349 0.808 0.530 1.000 0.625 CB 1.709 25 residues pruned to eliminate duplicates Z: 25 32.981 2.301 0.845 0.525 0.917 0.708 CB 1.688 25 residues pruned to eliminate duplicates Z: 19 26.890 2.142 0.386 0.865 1.000 0.667 CB 1.565 19 residues pruned to eliminate duplicates Z: 10 18.949 1.897 0.952 0.914 1.000 0.778 CA 1.206 10 residues pruned to eliminate duplicates Z: 58 48.077 2.297 0.712 0.559 0.947 0.632 CB 1.615 58 residues pruned to eliminate duplicates Z: 21 43.494 2.421 0.734 0.943 0.950 0.700 CB 1.690 21 residues pruned to eliminate duplicates Z: 11 13.192 1.932 0.530 0.639 1.000 0.700 CB 1.240 11 residues pruned to eliminate duplicates Z: 25 51.114 2.347 0.841 0.931 1.000 0.667 CB 1.688 25 residues pruned to eliminate duplicates Z: 20 17.586 2.017 0.345 0.794 0.842 0.632 CB 1.365 20 residues pruned to eliminate duplicates Z: 47 29.822 2.032 0.745 0.480 0.870 0.522 CB 1.455 47 residues pruned to eliminate duplicates Z: 34 20.091 1.910 0.703 0.451 0.909 0.576 CB 1.243 Z: 25 31.516 2.358 0.636 0.466 0.958 0.542 CB 1.801 25 residues pruned to eliminate duplicates Z: 20 29.123 2.309 0.351 0.870 0.947 0.737 CB 1.650 20 residues pruned to eliminate duplicates Z: 14 28.663 2.435 0.773 0.920 0.923 0.846 CB 1.404 14 residues pruned to eliminate duplicates Z: 26 44.768 2.214 0.843 0.910 0.960 0.720 CB 1.621 26 residues pruned to eliminate duplicates Z: 16 28.437 2.155 0.888 0.911 0.933 0.600 CB 1.371 16 residues pruned to eliminate duplicates Z: 24 50.998 2.323 0.958 0.931 0.957 0.739 CB 1.708 24 residues pruned to eliminate duplicates Z: 85 47.910 2.212 0.860 0.509 0.893 0.500 CB 1.410 130 residues pruned to eliminate duplicates Z: 19 29.777 2.312 0.566 0.865 0.889 0.667 CB 1.597 19 residues pruned to eliminate duplicates Z: 41 32.571 2.127 0.538 0.660 0.950 0.700 CB 1.428 41 residues pruned to eliminate duplicates Z: 35 28.566 2.113 0.691 0.559 0.912 0.559 CB 1.419 35 residues pruned to eliminate duplicates Z: 9 17.560 2.155 0.813 0.611 0.875 0.625 CA 1.635 10 residues pruned to eliminate duplicates Z: 25 34.561 2.134 0.493 0.931 0.958 0.917 CA 1.614 25 residues pruned to eliminate duplicates Z: 6 16.441 1.984 0.772 0.754 1.000 0.400 N 1.668 6 residues pruned to eliminate duplicates Z: 37 22.175 1.952 0.641 0.439 0.944 0.667 CB 1.301 71 residues pruned to eliminate duplicates Z: 44 36.385 2.133 0.780 0.524 0.953 0.535 CB 1.496 Z: 24 35.483 2.422 0.813 0.488 0.957 0.609 CB 1.784 24 residues pruned to eliminate duplicates Z: 23 33.727 2.331 0.753 0.499 1.000 0.682 CB 1.761 23 residues pruned to eliminate duplicates Z: 24 34.510 2.386 0.827 0.469 0.957 0.565 CB 1.781 24 residues pruned to eliminate duplicates Z: 9 22.028 2.064 0.918 0.888 1.000 0.750 CB 1.417 9 residues pruned to eliminate duplicates Z: 20 32.300 2.305 0.496 0.867 1.000 0.684 CB 1.573 20 residues pruned to eliminate duplicates Z: 18 32.270 2.357 0.446 0.887 1.000 0.706 CB 1.655 18 residues pruned to eliminate duplicates Z: 19 27.161 2.166 0.671 0.916 0.889 0.667 CB 1.406 19 residues pruned to eliminate duplicates Z: 24 40.478 2.192 0.911 0.938 0.957 0.391 CB 1.465 24 residues pruned to eliminate duplicates Z: 38 18.481 1.972 0.507 0.410 0.865 0.514 CB 1.299 Z: 14 25.598 2.172 0.785 0.907 1.000 0.692 CB 1.301 14 residues pruned to eliminate duplicates Z: 63 58.510 2.381 0.759 0.595 0.968 0.726 CB 1.674 63 residues pruned to eliminate duplicates Z: 25 27.390 2.250 0.522 0.764 0.875 0.708 CB 1.476 25 residues pruned to eliminate duplicates Z: 18 24.796 2.220 0.423 0.860 0.824 0.706 CB 1.700 18 residues pruned to eliminate duplicates Z: 50 31.555 2.113 0.571 0.456 0.959 0.551 CB 1.480 50 residues pruned to eliminate duplicates Z: 11 16.540 1.981 0.531 0.912 0.900 0.700 CB 1.357 11 residues pruned to eliminate duplicates Z: 38 19.879 1.948 0.598 0.449 0.892 0.459 CB 1.240 35 residues pruned to eliminate duplicates Z: 59 38.354 2.188 0.463 0.584 0.948 0.707 CB 1.530 59 residues pruned to eliminate duplicates Z: 18 27.681 2.110 0.550 0.913 1.000 0.882 CB 1.453 18 residues pruned to eliminate duplicates Z: 80 33.491 2.022 0.499 0.527 0.873 0.595 CB 1.387 74 residues pruned to eliminate duplicates Z: 64 49.271 2.329 0.646 0.573 0.952 0.714 CB 1.585 64 residues pruned to eliminate duplicates Z: 93 46.852 2.204 0.605 0.561 0.902 0.587 CB 1.442 93 residues pruned to eliminate duplicates Z: 25 50.691 2.313 1.051 0.958 1.000 0.458 CB 1.496 25 residues pruned to eliminate duplicates Z: 18 34.889 2.318 0.698 0.887 0.941 0.529 CB 1.646 18 residues pruned to eliminate duplicates Z: 62 41.825 2.160 0.699 0.567 0.918 0.623 CB 1.490 62 residues pruned to eliminate duplicates Z: 20 34.140 2.226 0.708 0.939 0.947 0.737 CB 1.511 20 residues pruned to eliminate duplicates Z: 40 32.684 2.089 0.842 0.514 0.897 0.462 CB 1.495 40 residues pruned to eliminate duplicates Z: 39 18.410 1.904 0.626 0.446 0.816 0.474 CB 1.250 39 residues pruned to eliminate duplicates Z: 24 37.230 2.182 0.808 0.912 0.913 0.435 CB 1.526 24 residues pruned to eliminate duplicates Z: 29 30.799 2.153 0.502 0.801 0.964 0.893 CB 1.435 29 residues pruned to eliminate duplicates Z: 9 12.236 1.867 0.551 0.661 0.875 0.750 CA 1.471 10 residues pruned to eliminate duplicates Z: 25 59.686 2.338 1.148 0.932 1.000 0.458 CB 1.695 25 residues pruned to eliminate duplicates Z: 28 35.691 2.415 0.770 0.447 0.963 0.630 CB 1.762 28 residues pruned to eliminate duplicates Z: 55 43.158 2.231 0.602 0.556 0.944 0.704 CB 1.647 55 residues pruned to eliminate duplicates Z: 23 39.520 2.189 0.870 0.955 0.955 0.455 CB 1.482 23 residues pruned to eliminate duplicates Z: 36 29.067 2.075 0.696 0.596 0.914 0.600 CB 1.394 36 residues pruned to eliminate duplicates Z: 56 45.103 2.194 0.713 0.570 0.964 0.600 CB 1.569 56 residues pruned to eliminate duplicates Z: 25 60.980 2.328 1.234 0.938 1.000 0.417 CB 1.664 25 residues pruned to eliminate duplicates Z: 20 26.838 2.072 0.431 0.877 1.000 0.789 CA 1.508 20 residues pruned to eliminate duplicates Z: 17 30.033 2.169 0.595 0.898 1.000 0.625 CB 1.552 17 residues pruned to eliminate duplicates Z: 19 33.667 2.320 0.652 0.914 0.944 0.833 CB 1.551 19 residues pruned to eliminate duplicates Z: 26 31.241 2.240 0.741 0.487 1.000 0.640 CB 1.622 26 residues pruned to eliminate duplicates Z: 11 12.705 2.015 0.150 0.858 0.900 0.700 CA 1.418 11 residues pruned to eliminate duplicates Z: 81 52.793 2.232 0.757 0.583 0.938 0.613 CB 1.483 69 residues pruned to eliminate duplicates Z: 20 33.431 2.316 0.527 0.831 0.947 0.789 CB 1.719 20 residues pruned to eliminate duplicates Z: 17 29.343 2.191 0.602 0.913 0.938 0.750 CB 1.578 17 residues pruned to eliminate duplicates Z: 20 26.421 2.300 0.431 0.867 0.895 0.526 CB 1.506 20 residues pruned to eliminate duplicates Z: 24 44.039 2.332 0.921 0.936 0.957 0.870 CB 1.493 24 residues pruned to eliminate duplicates Z: 20 28.718 2.244 0.445 0.852 0.947 0.684 CB 1.587 20 residues pruned to eliminate duplicates Z: 18 30.505 2.371 0.359 0.889 0.941 0.941 CA 1.757 18 residues pruned to eliminate duplicates Z: 15 25.343 2.032 0.765 0.884 0.857 0.643 CB 1.592 15 residues pruned to eliminate duplicates Z: 24 47.646 2.237 1.043 0.949 0.957 0.652 CB 1.569 24 residues pruned to eliminate duplicates Z: 19 36.216 2.358 0.547 0.922 1.000 0.889 CB 1.645 19 residues pruned to eliminate duplicates Z: 26 33.293 2.217 0.779 0.556 1.000 0.840 CB 1.598 26 residues pruned to eliminate duplicates Z: 58 42.302 2.175 0.592 0.576 0.965 0.684 CB 1.559 58 residues pruned to eliminate duplicates Z: 25 20.961 2.042 0.520 0.592 1.000 0.625 CB 1.262 25 residues pruned to eliminate duplicates Z: 19 35.804 2.339 0.676 0.861 0.944 0.611 CB 1.674 19 residues pruned to eliminate duplicates Z: 46 44.066 2.279 1.094 0.623 0.844 0.422 CB 1.451 49 residues pruned to eliminate duplicates Z: 7 6.386 1.738 0.417 0.678 0.667 0.500 N 1.348 7 residues pruned to eliminate duplicates Z: 26 46.120 2.250 0.982 0.962 0.960 0.720 CB 1.474 26 residues pruned to eliminate duplicates Z: 19 30.606 2.319 0.350 0.882 0.944 0.833 CB 1.765 19 residues pruned to eliminate duplicates Z: 18 31.151 2.348 0.442 0.878 0.941 0.765 CB 1.720 18 residues pruned to eliminate duplicates Z: 15 17.303 2.099 0.818 0.582 0.857 0.857 CB 1.306 15 residues pruned to eliminate duplicates Z: 41 19.884 2.068 0.538 0.359 0.850 0.475 CB 1.355 41 residues pruned to eliminate duplicates Z: 24 58.827 2.354 1.303 0.958 0.957 0.391 CB 1.622 24 residues pruned to eliminate duplicates Z: 26 49.986 2.259 1.184 0.945 0.960 0.520 CB 1.460 26 residues pruned to eliminate duplicates Z: 10 20.532 2.104 0.671 0.894 1.000 0.667 CB 1.396 10 residues pruned to eliminate duplicates Z: 25 43.959 2.178 0.862 0.929 0.958 0.625 CB 1.616 25 residues pruned to eliminate duplicates Z: 24 43.802 2.310 0.939 0.950 0.957 0.609 CB 1.470 24 residues pruned to eliminate duplicates Z: 41 32.791 2.196 0.668 0.637 0.925 0.675 CB 1.345 41 residues pruned to eliminate duplicates Z: 34 20.807 1.931 0.664 0.461 0.939 0.485 CB 1.249 34 residues pruned to eliminate duplicates Z: 16 11.454 1.965 0.543 0.353 0.867 0.533 CB 1.319 16 residues pruned to eliminate duplicates Z: 6 3.716 1.605 0.503 0.555 0.600 0.400 CA 1.088 6 residues pruned to eliminate duplicates Z: 7 8.255 1.733 0.687 0.671 1.000 0.333 CA 0.984 7 residues pruned to eliminate duplicates Z: 41 22.173 1.926 0.590 0.453 0.900 0.550 CB 1.335 41 residues pruned to eliminate duplicates Z: 19 31.770 2.274 0.523 0.891 1.000 0.667 CB 1.554 19 residues pruned to eliminate duplicates Z: 25 43.279 2.323 0.963 0.939 0.917 0.792 CB 1.468 25 residues pruned to eliminate duplicates Z: 27 24.291 2.236 0.721 0.414 0.808 0.615 CB 1.677 27 residues pruned to eliminate duplicates Z: 15 13.647 2.141 0.498 0.577 0.857 0.786 CB 1.232 15 residues pruned to eliminate duplicates Z: 26 39.947 2.082 0.907 0.892 1.000 0.560 CB 1.445 26 residues pruned to eliminate duplicates Z: 9 12.760 1.945 0.625 0.752 0.875 0.625 CB 1.302 9 residues pruned to eliminate duplicates Z: 27 39.969 2.194 0.608 0.863 1.000 0.885 CB 1.630 27 residues pruned to eliminate duplicates Z: 24 44.540 2.209 0.926 0.941 0.957 0.565 CB 1.584 24 residues pruned to eliminate duplicates Z: 24 33.842 2.174 0.372 0.937 1.000 0.913 CB 1.647 24 residues pruned to eliminate duplicates Z: 44 31.458 2.112 0.712 0.497 0.930 0.628 CB 1.431 44 residues pruned to eliminate duplicates Z: 24 33.110 2.109 0.726 0.906 0.957 0.696 CB 1.411 24 residues pruned to eliminate duplicates Z: 50 33.297 2.101 0.688 0.495 0.939 0.469 CB 1.435 50 residues pruned to eliminate duplicates Z: 20 28.800 2.284 0.431 0.856 0.947 0.789 CB 1.574 20 residues pruned to eliminate duplicates Z: 44 25.926 2.025 0.594 0.442 0.884 0.488 CB 1.471 44 residues pruned to eliminate duplicates Z: 19 29.681 2.246 0.396 0.883 1.000 0.556 CB 1.613 19 residues pruned to eliminate duplicates Z: 10 4.751 1.896 0.246 0.361 0.778 0.444 CB 1.001 Z: 48 38.730 2.251 0.715 0.560 0.915 0.660 CB 1.509 48 residues pruned to eliminate duplicates Z: 20 42.608 2.363 0.967 0.947 0.895 0.421 CB 1.624 20 residues pruned to eliminate duplicates Z: 26 29.203 2.222 0.731 0.507 0.880 0.720 CB 1.714 26 residues pruned to eliminate duplicates Z: 15 18.285 2.143 1.128 0.429 0.786 0.571 CB 1.468 15 residues pruned to eliminate duplicates Z: 41 25.592 2.095 0.580 0.446 0.925 0.475 CB 1.397 41 residues pruned to eliminate duplicates Z: 7 5.046 1.520 0.131 0.784 0.833 0.500 CA 1.119 7 residues pruned to eliminate duplicates Z: 16 34.004 2.291 0.657 0.887 1.000 0.933 CB 1.667 16 residues pruned to eliminate duplicates Z: 19 15.744 1.967 0.528 0.557 0.833 0.500 CB 1.402 19 residues pruned to eliminate duplicates Z: 17 37.550 2.384 0.892 0.937 1.000 0.875 CB 1.448 17 residues pruned to eliminate duplicates Z: 7 23.009 2.502 0.691 0.725 1.000 1.000 CB 1.811 7 residues pruned to eliminate duplicates Z: 9 15.206 2.008 0.844 0.864 0.875 0.750 CB 1.216 9 residues pruned to eliminate duplicates Z: 24 28.646 2.302 0.688 0.484 0.913 0.609 CB 1.710 24 residues pruned to eliminate duplicates Z: 13 9.457 2.050 0.464 0.410 0.833 0.333 CB 1.200 13 residues pruned to eliminate duplicates Z: 24 15.546 1.788 0.538 0.474 0.957 0.522 CB 1.265 22 residues pruned to eliminate duplicates Z: 26 37.403 2.231 0.751 0.930 0.960 0.720 CB 1.395 26 residues pruned to eliminate duplicates Z: 52 26.603 2.021 0.562 0.496 0.902 0.569 CB 1.314 52 residues pruned to eliminate duplicates Z: 9 14.748 2.072 0.513 0.895 0.875 0.875 CB 1.362 9 residues pruned to eliminate duplicates Z: 28 24.887 1.963 0.783 0.530 0.926 0.444 CB 1.435 28 residues pruned to eliminate duplicates Z: 11 11.333 1.969 0.467 0.622 0.900 0.500 CB 1.229 11 residues pruned to eliminate duplicates Z: 46 23.843 1.988 0.579 0.479 0.844 0.600 CB 1.370 46 residues pruned to eliminate duplicates Z: 17 26.538 2.112 0.514 0.895 1.000 0.875 CA 1.487 17 residues pruned to eliminate duplicates Z: 29 25.246 2.159 0.718 0.463 0.857 0.607 CB 1.559 29 residues pruned to eliminate duplicates Z: 6 5.742 1.443 0.701 0.611 0.800 0.400 N 1.178 6 residues pruned to eliminate duplicates Z: 19 19.704 2.283 0.690 0.447 0.833 0.667 CB 1.527 19 residues pruned to eliminate duplicates Z: 34 47.057 2.338 0.792 0.705 0.970 0.697 CB 1.673 34 residues pruned to eliminate duplicates Z: 11 12.660 2.063 0.266 0.827 0.900 0.300 CB 1.282 11 residues pruned to eliminate duplicates Z: 87 49.059 2.194 0.744 0.563 0.884 0.616 CB 1.473 87 residues pruned to eliminate duplicates Z: 45 25.361 2.056 0.643 0.414 0.886 0.455 CB 1.398 45 residues pruned to eliminate duplicates Z: 6 9.147 1.834 0.635 0.760 1.000 0.400 CA 1.082 6 residues pruned to eliminate duplicates Z: 18 19.275 2.091 0.395 0.823 0.824 0.588 CB 1.471 18 residues pruned to eliminate duplicates Z: 9 9.030 1.812 -0.014 0.653 1.000 0.500 O 1.551 Z: 12 17.091 2.207 0.714 0.600 0.818 0.545 CB 1.514 12 residues pruned to eliminate duplicates Z: 42 36.631 2.278 0.511 0.614 0.951 0.634 CB 1.568 42 residues pruned to eliminate duplicates Z: 63 36.133 2.155 0.565 0.490 0.935 0.548 CB 1.469 63 residues pruned to eliminate duplicates Z: 43 20.060 2.019 0.477 0.445 0.881 0.500 CB 1.247 43 residues pruned to eliminate duplicates Z: 36 15.633 2.066 0.395 0.365 0.857 0.400 CB 1.237 46 residues pruned to eliminate duplicates Z: 37 24.876 2.045 0.625 0.515 0.944 0.583 CB 1.301 37 residues pruned to eliminate duplicates Z: 6 3.743 1.758 0.025 0.488 0.800 0.600 CB 1.176 Z: 26 49.292 2.258 1.102 0.947 0.960 0.560 CB 1.495 33 residues pruned to eliminate duplicates Z: 19 28.288 2.065 1.060 0.900 1.000 0.333 CB 1.119 19 residues pruned to eliminate duplicates Z: 17 16.650 2.033 0.478 0.493 0.938 0.625 CB 1.488 17 residues pruned to eliminate duplicates Z: 73 38.127 2.047 0.660 0.569 0.903 0.611 CB 1.370 73 residues pruned to eliminate duplicates Z: 23 45.689 2.329 0.787 0.946 1.000 0.455 CB 1.618 23 residues pruned to eliminate duplicates Z: 46 35.520 2.272 0.689 0.649 0.889 0.778 CB 1.351 46 residues pruned to eliminate duplicates Z: 10 6.013 1.697 0.419 0.310 0.778 0.444 N 1.322 Z: 18 26.581 2.081 0.458 0.918 1.000 0.765 CA 1.499 18 residues pruned to eliminate duplicates Z: 8 14.933 2.169 0.585 0.885 0.857 0.571 CB 1.383 8 residues pruned to eliminate duplicates Z: 25 55.067 2.329 1.371 0.951 0.958 0.667 CB 1.464 25 residues pruned to eliminate duplicates Z: 15 31.629 2.278 0.934 0.946 0.929 0.714 CB 1.429 15 residues pruned to eliminate duplicates Z: 26 33.465 2.216 0.342 0.920 1.000 0.960 CB 1.585 26 residues pruned to eliminate duplicates Z: 27 47.916 2.210 1.270 0.914 0.962 0.577 CB 1.378 27 residues pruned to eliminate duplicates Z: 20 23.889 2.074 0.304 0.936 1.000 0.895 CB 1.411 20 residues pruned to eliminate duplicates Z: 52 32.595 2.079 0.645 0.494 0.941 0.588 CB 1.427 52 residues pruned to eliminate duplicates Z: 25 41.227 2.243 0.636 0.941 1.000 0.583 CB 1.591 25 residues pruned to eliminate duplicates Z: 20 27.170 2.162 0.496 0.810 0.947 0.632 CB 1.554 20 residues pruned to eliminate duplicates Z: 21 18.423 1.908 0.279 0.832 0.950 0.750 CB 1.333 21 residues pruned to eliminate duplicates Z: 16 24.075 2.232 0.390 0.893 1.000 0.867 CB 1.439 16 residues pruned to eliminate duplicates Z: 62 39.944 2.164 0.506 0.595 0.951 0.639 CB 1.507 62 residues pruned to eliminate duplicates Z: 19 35.169 2.357 0.425 0.911 1.000 0.722 CB 1.750 19 residues pruned to eliminate duplicates Z: 24 45.646 2.200 1.051 0.948 0.957 0.435 CB 1.523 24 residues pruned to eliminate duplicates Z: 11 22.119 1.984 0.924 0.889 0.900 0.600 CB 1.466 11 residues pruned to eliminate duplicates Z: 25 41.985 2.140 0.705 0.935 1.000 0.875 CB 1.636 25 residues pruned to eliminate duplicates Z: 21 24.092 2.030 0.641 0.789 0.900 0.700 CB 1.394 21 residues pruned to eliminate duplicates Z: 45 36.656 2.173 0.677 0.619 0.955 0.705 CB 1.419 45 residues pruned to eliminate duplicates Z: 14 21.979 2.289 0.274 0.932 0.923 0.923 CB 1.582 14 residues pruned to eliminate duplicates Z: 18 27.516 2.196 0.508 0.878 0.941 0.824 CB 1.554 18 residues pruned to eliminate duplicates Z: 24 29.991 2.313 0.861 0.461 0.870 0.609 CB 1.739 24 residues pruned to eliminate duplicates Z: 61 38.917 2.172 0.517 0.555 0.933 0.650 CB 1.548 61 residues pruned to eliminate duplicates Z: 44 25.838 2.063 0.509 0.509 0.930 0.535 CB 1.349 44 residues pruned to eliminate duplicates Z: 6 5.974 1.799 0.298 0.522 0.800 0.600 C 1.400 Z: 24 50.576 2.231 1.131 0.947 1.000 0.609 CB 1.533 24 residues pruned to eliminate duplicates Z: 57 48.024 2.310 0.812 0.555 0.946 0.607 CB 1.535 57 residues pruned to eliminate duplicates Z: 25 32.789 2.274 0.909 0.564 0.875 0.750 CB 1.656 25 residues pruned to eliminate duplicates Z: 38 28.531 2.062 0.716 0.556 0.946 0.568 CB 1.327 38 residues pruned to eliminate duplicates Z: 62 40.805 2.141 0.614 0.576 0.918 0.639 CB 1.531 62 residues pruned to eliminate duplicates Z: 11 12.229 2.238 0.625 0.444 0.800 0.600 CB 1.409 11 residues pruned to eliminate duplicates Z: 50 25.072 2.036 0.544 0.441 0.898 0.531 CB 1.348 50 residues pruned to eliminate duplicates Z: 63 42.219 2.272 0.584 0.550 0.919 0.629 CB 1.543 63 residues pruned to eliminate duplicates Z: 9 6.052 1.653 0.383 0.284 1.000 0.500 CB 1.194 Z: 31 29.602 2.297 0.712 0.432 0.900 0.667 CB 1.638 31 residues pruned to eliminate duplicates Z: 24 43.971 2.181 0.925 0.952 1.000 0.435 CB 1.504 24 residues pruned to eliminate duplicates Z: 6 13.576 1.905 0.711 0.846 1.000 0.800 CA 1.384 6 residues pruned to eliminate duplicates Z: 16 17.408 2.141 0.440 0.540 1.000 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 30 26.272 2.139 0.660 0.392 0.966 0.517 CA 1.596 30 residues pruned to eliminate duplicates Z: 19 36.731 2.278 0.704 0.878 1.000 0.722 CB 1.619 19 residues pruned to eliminate duplicates Z: 24 18.802 1.923 0.590 0.613 0.957 0.652 CB 1.204 24 residues pruned to eliminate duplicates Z: 24 32.364 2.159 0.340 0.941 1.000 1.000 CB 1.619 24 residues pruned to eliminate duplicates Z: 20 45.172 2.212 1.305 0.936 0.947 0.263 CB 1.494 20 residues pruned to eliminate duplicates Z: 46 28.611 2.079 0.584 0.514 0.956 0.533 CB 1.337 46 residues pruned to eliminate duplicates Z: 49 26.224 2.078 0.547 0.503 0.917 0.562 CB 1.281 49 residues pruned to eliminate duplicates Z: 8 5.442 1.730 -0.149 0.701 0.857 0.714 CB 1.358 7 residues pruned to eliminate duplicates Z: 14 12.284 2.013 0.257 0.444 1.000 0.538 CB 1.427 14 residues pruned to eliminate duplicates Z: 24 47.718 2.208 1.098 0.937 0.957 0.522 CB 1.563 24 residues pruned to eliminate duplicates Z: 60 33.449 2.102 0.586 0.466 0.881 0.627 CB 1.534 60 residues pruned to eliminate duplicates Z: 9 9.379 1.893 0.536 0.368 1.000 0.875 CB 1.314 Z: 86 47.911 2.213 0.668 0.572 0.906 0.576 CB 1.450 86 residues pruned to eliminate duplicates Z: 39 27.945 2.069 0.691 0.506 0.974 0.474 CB 1.323 39 residues pruned to eliminate duplicates Z: 19 24.472 2.135 0.321 0.875 0.944 0.722 CB 1.575 19 residues pruned to eliminate duplicates Z: 7 3.778 1.844 -0.381 0.461 1.000 0.500 O 1.405 7 residues pruned to eliminate duplicates Z: 7 5.555 1.786 -0.282 0.788 1.000 0.833 C 1.373 7 residues pruned to eliminate duplicates Z: 45 37.578 2.143 0.790 0.522 0.977 0.545 CB 1.479 45 residues pruned to eliminate duplicates Z: 7 8.142 1.976 0.916 0.705 0.833 0.833 CB 0.875 Z: 39 27.085 2.032 0.686 0.514 0.947 0.658 CB 1.335 39 residues pruned to eliminate duplicates Z: 18 27.089 2.126 0.468 0.905 1.000 0.765 CA 1.498 18 residues pruned to eliminate duplicates Z: 25 50.241 2.159 1.194 0.953 0.958 0.542 CB 1.554 25 residues pruned to eliminate duplicates Z: 9 5.672 1.699 -0.044 0.682 0.875 0.750 CB 1.194 Z: 24 24.197 2.302 0.581 0.461 0.957 0.522 CB 1.508 24 residues pruned to eliminate duplicates Z: 6 3.929 1.258 1.025 0.491 0.600 0.600 C 1.160 Z: 6 6.557 2.028 -0.338 0.749 1.000 0.600 N 1.748 Z: 24 36.991 2.181 0.493 0.909 1.000 0.913 CA 1.681 24 residues pruned to eliminate duplicates Z: 43 23.726 1.891 0.660 0.450 0.952 0.500 CB 1.288 43 residues pruned to eliminate duplicates Z: 39 24.230 2.027 0.602 0.516 0.947 0.579 CB 1.258 39 residues pruned to eliminate duplicates Z: 8 2.890 1.316 0.102 0.528 0.857 0.429 CB 0.855 Z: 11 12.476 1.800 0.401 0.835 1.000 0.900 CB 1.172 11 residues pruned to eliminate duplicates Z: 36 32.369 2.220 0.634 0.619 0.829 0.600 CB 1.627 36 residues pruned to eliminate duplicates Z: 24 44.101 2.146 1.010 0.932 0.957 0.435 CB 1.556 24 residues pruned to eliminate duplicates Z: 38 24.776 2.012 0.564 0.534 0.973 0.622 CB 1.287 38 residues pruned to eliminate duplicates Z: 14 7.774 1.799 0.147 0.518 0.769 0.538 CB 1.334 23 residues pruned to eliminate duplicates Z: 12 5.600 1.652 0.461 0.343 0.727 0.455 CB 1.140 12 residues pruned to eliminate duplicates Z: 50 23.571 2.038 0.468 0.490 0.878 0.510 CB 1.295 50 residues pruned to eliminate duplicates Z: 42 37.742 2.247 0.744 0.613 0.927 0.659 CB 1.458 42 residues pruned to eliminate duplicates Z: 123 47.793 2.070 0.562 0.544 0.902 0.615 CB 1.422 115 residues pruned to eliminate duplicates Z: 20 32.952 2.316 0.566 0.839 1.000 0.579 CB 1.557 20 residues pruned to eliminate duplicates Z: 10 23.335 2.022 0.765 0.897 1.000 0.889 CB 1.560 10 residues pruned to eliminate duplicates Z: 10 3.872 1.907 0.157 0.465 0.778 0.778 CB 0.780 Z: 63 54.356 2.332 0.783 0.582 0.952 0.645 CB 1.612 63 residues pruned to eliminate duplicates Z: 27 45.834 2.184 1.182 0.931 0.962 0.462 CB 1.371 27 residues pruned to eliminate duplicates Z: 7 7.037 1.717 0.689 0.680 0.833 0.500 CA 1.007 Z: 13 23.611 2.256 0.847 0.577 1.000 0.750 CB 1.518 13 residues pruned to eliminate duplicates Z: 65 51.878 2.277 0.719 0.554 0.953 0.688 CB 1.649 65 residues pruned to eliminate duplicates Z: 6 5.611 1.794 0.277 0.443 1.000 0.600 N 1.162 6 residues pruned to eliminate duplicates Z: 42 27.269 2.003 0.566 0.495 0.976 0.610 CB 1.398 42 residues pruned to eliminate duplicates Z: 19 34.322 2.300 0.672 0.886 1.000 0.778 CB 1.518 19 residues pruned to eliminate duplicates Z: 25 50.173 2.300 1.170 0.951 0.958 0.542 CB 1.476 25 residues pruned to eliminate duplicates Z: 26 31.025 2.251 0.429 0.726 1.000 0.720 CB 1.574 26 residues pruned to eliminate duplicates Z: 72 43.526 2.215 0.674 0.587 0.915 0.634 CB 1.400 72 residues pruned to eliminate duplicates Z: 6 5.992 1.657 0.349 0.626 0.800 0.400 O 1.331 6 residues pruned to eliminate duplicates Z: 8 2.755 1.624 0.031 0.479 0.714 0.714 CB 0.890 Z: 6 3.839 1.577 0.288 0.452 0.800 0.400 N 1.109 6 residues pruned to eliminate duplicates Z: 21 20.766 1.969 0.315 0.852 0.950 0.700 CB 1.397 21 residues pruned to eliminate duplicates Z: 37 33.574 2.085 0.512 0.696 0.944 0.806 CB 1.572 37 residues pruned to eliminate duplicates Z: 8 3.755 1.443 0.353 0.199 1.000 0.286 CA 1.039 8 residues pruned to eliminate duplicates Z: 7 5.183 1.667 0.494 0.307 1.000 0.833 CB 1.053 7 residues pruned to eliminate duplicates Z: 50 41.879 2.238 0.689 0.534 0.939 0.673 CB 1.631 50 residues pruned to eliminate duplicates Z: 29 21.615 1.938 0.695 0.454 0.893 0.393 CB 1.460 29 residues pruned to eliminate duplicates Z: 19 17.199 2.140 0.556 0.421 0.889 0.444 CB 1.487 19 residues pruned to eliminate duplicates Z: 17 9.892 1.741 0.341 0.515 0.875 0.562 CB 1.193 17 residues pruned to eliminate duplicates Z: 27 27.583 2.163 0.370 0.906 0.962 0.769 CB 1.350 27 residues pruned to eliminate duplicates Z: 58 44.516 2.285 0.614 0.507 0.947 0.614 CB 1.675 58 residues pruned to eliminate duplicates Z: 19 22.883 2.139 0.398 0.876 0.889 0.778 CB 1.474 19 residues pruned to eliminate duplicates Z: 9 8.405 1.864 0.251 0.539 0.875 0.750 N 1.402 9 residues pruned to eliminate duplicates Z: 66 33.763 2.099 0.685 0.478 0.908 0.538 CB 1.334 66 residues pruned to eliminate duplicates Z: 39 24.128 2.018 0.468 0.561 0.921 0.632 CB 1.352 39 residues pruned to eliminate duplicates Z: 35 40.996 2.308 1.007 0.521 0.941 0.676 CB 1.580 35 residues pruned to eliminate duplicates Z: 42 34.380 2.237 0.641 0.627 0.854 0.683 CB 1.519 42 residues pruned to eliminate duplicates Z: 8 3.264 1.894 0.110 0.202 0.857 0.286 CB 0.976 8 residues pruned to eliminate duplicates Z: 6 3.391 1.806 0.743 0.324 0.600 0.400 CB 0.975 Z: 29 9.290 1.667 0.382 0.384 0.857 0.357 CB 1.006 29 residues pruned to eliminate duplicates Z: 18 30.929 2.107 0.627 0.892 1.000 0.588 CB 1.572 18 residues pruned to eliminate duplicates Z: 20 22.411 2.076 0.541 0.814 0.895 0.579 CB 1.367 20 residues pruned to eliminate duplicates Z: 15 27.225 2.226 0.700 0.876 0.929 0.500 CA 1.505 15 residues pruned to eliminate duplicates Z: 60 37.103 2.148 0.504 0.559 0.949 0.627 CB 1.487 60 residues pruned to eliminate duplicates Z: 20 31.935 2.232 0.512 0.823 1.000 0.684 CB 1.640 20 residues pruned to eliminate duplicates Z: 61 48.148 2.341 0.659 0.535 0.933 0.600 CB 1.657 61 residues pruned to eliminate duplicates Z: 49 30.428 2.065 0.683 0.529 0.938 0.625 CB 1.311 49 residues pruned to eliminate duplicates Z: 35 24.900 1.989 0.614 0.456 0.971 0.559 CB 1.433 35 residues pruned to eliminate duplicates Z: 48 30.184 2.087 0.643 0.528 0.915 0.532 CB 1.365 48 residues pruned to eliminate duplicates Z: 23 33.519 2.385 0.782 0.498 0.955 0.682 CB 1.765 23 residues pruned to eliminate duplicates Z: 46 39.735 2.209 0.589 0.615 0.956 0.756 CB 1.584 46 residues pruned to eliminate duplicates Z: 24 18.267 2.026 0.931 0.517 0.783 0.391 CB 1.223 24 residues pruned to eliminate duplicates Z: 22 32.744 2.055 1.062 0.905 0.905 0.381 CB 1.326 22 residues pruned to eliminate duplicates Z: 15 25.419 2.155 0.881 0.526 1.000 0.643 CA 1.634 15 residues pruned to eliminate duplicates Z: 9 4.412 1.423 0.206 0.515 0.875 0.375 N 1.023 Z: 7 3.453 1.857 -0.213 0.418 1.000 0.333 CB 1.050 7 residues pruned to eliminate duplicates 10 1.866 1.683 -0.420 0.581 0.667 0.444 CB 0.885 ? Z: 20 22.579 2.088 0.175 0.942 1.000 0.842 CB 1.464 20 residues pruned to eliminate duplicates Z: 47 38.554 2.199 0.708 0.619 0.935 0.630 CB 1.447 47 residues pruned to eliminate duplicates Z: 18 33.509 2.246 0.514 0.917 1.000 0.882 CB 1.687 18 residues pruned to eliminate duplicates Z: 6 2.432 1.641 -0.390 0.469 1.000 0.200 CB 1.121 Z: 26 8.596 2.001 0.354 0.214 0.720 0.280 CB 1.234 26 residues pruned to eliminate duplicates Z: 40 33.071 2.162 0.514 0.648 0.949 0.667 CB 1.486 40 residues pruned to eliminate duplicates Z: 7 5.505 1.897 0.621 0.791 1.000 0.833 CB 0.566 7 residues pruned to eliminate duplicates Z: 35 28.650 2.131 0.558 0.609 0.912 0.647 CB 1.463 35 residues pruned to eliminate duplicates Z: 82 43.429 2.035 0.800 0.568 0.926 0.469 CB 1.332 84 residues pruned to eliminate duplicates Z: 31 31.342 2.065 0.793 0.597 0.933 0.500 CB 1.510 31 residues pruned to eliminate duplicates Z: 9 6.586 1.600 0.155 0.648 0.875 0.625 CB 1.254 8 residues pruned to eliminate duplicates Z: 19 15.426 1.878 0.488 0.577 0.944 0.611 CB 1.280 19 residues pruned to eliminate duplicates Z: 84 50.440 2.204 0.748 0.572 0.940 0.614 CB 1.426 84 residues pruned to eliminate duplicates Z: 11 7.279 2.054 0.259 0.314 0.900 0.600 CB 1.215 11 residues pruned to eliminate duplicates Z: 8 4.934 1.552 0.848 0.522 0.857 0.429 CB 0.743 8 residues pruned to eliminate duplicates Z: 6 6.732 2.025 -0.299 0.765 1.000 0.800 CB 1.675 3 residues pruned to eliminate duplicates Z: 52 45.423 2.186 0.994 0.591 0.882 0.412 CB 1.516 52 residues pruned to eliminate duplicates Z: 40 19.963 1.965 0.540 0.430 0.897 0.410 CB 1.265 40 residues pruned to eliminate duplicates 6 1.701 1.327 0.548 0.292 0.600 0.400 N 0.779 ? Z: 9 6.252 1.671 0.198 0.587 0.875 0.500 CB 1.160 Z: 9 6.594 2.035 0.644 0.214 0.875 0.625 CB 1.116 9 residues pruned to eliminate duplicates Z: 6 3.529 1.960 0.303 0.235 0.600 0.200 CB 1.402 6 residues pruned to eliminate duplicates Z: 10 5.914 1.862 0.458 0.328 0.778 0.444 CB 1.127 10 residues pruned to eliminate duplicates Z: 42 31.699 2.129 0.568 0.629 0.902 0.756 CB 1.456 42 residues pruned to eliminate duplicates Z: 9 3.921 1.515 0.044 0.529 0.875 0.625 CB 0.973 8 residues pruned to eliminate duplicates Z: 65 57.756 2.293 0.859 0.607 0.953 0.688 CB 1.606 65 residues pruned to eliminate duplicates Z: 11 5.058 1.711 0.457 0.348 0.800 0.500 CB 0.946 9 residues pruned to eliminate duplicates Z: 14 9.315 2.022 0.280 0.510 0.846 0.538 CB 1.168 14 residues pruned to eliminate duplicates Z: 40 30.981 2.047 0.673 0.567 0.897 0.641 CB 1.512 40 residues pruned to eliminate duplicates Z: 8 9.355 1.666 0.834 0.354 1.000 0.714 C 1.355 8 residues pruned to eliminate duplicates Z: 109 63.113 2.227 0.830 0.591 0.889 0.537 CB 1.538 122 residues pruned to eliminate duplicates Z: 17 28.714 2.169 0.447 0.923 1.000 0.938 CA 1.607 17 residues pruned to eliminate duplicates Z: 10 28.124 2.064 1.099 0.920 1.000 0.778 CB 1.524 10 residues pruned to eliminate duplicates Z: 10 16.862 2.032 1.184 0.900 0.778 0.222 CA 1.163 10 residues pruned to eliminate duplicates Z: 20 28.403 2.274 0.294 0.852 1.000 0.737 CB 1.638 20 residues pruned to eliminate duplicates Z: 9 18.149 1.953 0.679 0.901 1.000 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 17 16.236 2.016 0.648 0.622 0.812 0.688 CB 1.340 17 residues pruned to eliminate duplicates Z: 14 6.375 1.891 0.120 0.346 0.769 0.385 CB 1.282 14 residues pruned to eliminate duplicates Z: 71 38.151 2.085 0.648 0.562 0.900 0.629 CB 1.389 71 residues pruned to eliminate duplicates Z: 24 26.456 2.240 0.857 0.510 0.913 0.478 CB 1.438 24 residues pruned to eliminate duplicates Z: 6 4.384 1.550 0.194 0.451 1.000 0.800 CA 1.114 6 residues pruned to eliminate duplicates Z: 43 28.266 2.075 0.669 0.460 0.881 0.571 CB 1.490 43 residues pruned to eliminate duplicates Z: 50 40.348 2.145 0.568 0.583 0.980 0.612 CB 1.615 50 residues pruned to eliminate duplicates Z: 11 5.469 1.792 0.296 0.302 0.700 0.600 CA 1.327 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 29 16.623 1.871 0.654 0.446 0.857 0.571 CB 1.252 29 residues pruned to eliminate duplicates Z: 22 11.457 1.819 0.343 0.475 0.952 0.571 CB 1.103 22 residues pruned to eliminate duplicates Z: 37 18.940 1.959 0.521 0.464 0.889 0.472 CB 1.237 37 residues pruned to eliminate duplicates Z: 28 15.847 1.893 0.455 0.420 0.926 0.519 CB 1.300 28 residues pruned to eliminate duplicates Z: 30 19.179 1.899 0.667 0.464 0.931 0.483 CB 1.253 30 residues pruned to eliminate duplicates Z: 33 18.803 1.948 0.506 0.427 0.938 0.500 CB 1.304 33 residues pruned to eliminate duplicates Z: 72 34.866 2.044 0.571 0.531 0.887 0.592 CB 1.408 72 residues pruned to eliminate duplicates Z: 19 8.529 1.714 0.368 0.391 0.833 0.333 CB 1.155 19 residues pruned to eliminate duplicates Z: 25 20.716 2.101 0.697 0.405 0.958 0.542 CB 1.368 25 residues pruned to eliminate duplicates Z: 39 18.534 1.898 0.401 0.446 0.947 0.500 CB 1.262 39 residues pruned to eliminate duplicates Z: 48 20.188 1.832 0.609 0.446 0.872 0.468 CB 1.212 48 residues pruned to eliminate duplicates Z: 36 20.545 1.870 0.563 0.479 0.943 0.571 CB 1.288 36 residues pruned to eliminate duplicates Z: 29 16.196 1.873 0.501 0.479 0.893 0.464 CB 1.246 29 residues pruned to eliminate duplicates Z: 40 19.707 1.935 0.605 0.464 0.897 0.615 CB 1.174 40 residues pruned to eliminate duplicates Z: 35 18.784 1.922 0.568 0.453 0.882 0.559 CB 1.272 35 residues pruned to eliminate duplicates Z: 34 19.938 1.937 0.588 0.435 0.909 0.515 CB 1.327 34 residues pruned to eliminate duplicates Z: 16 16.714 2.177 0.737 0.386 0.867 0.667 CB 1.487 16 residues pruned to eliminate duplicates Z: 120 47.009 2.079 0.518 0.571 0.908 0.613 CB 1.405 120 residues pruned to eliminate duplicates Z: 29 18.582 1.885 0.595 0.452 0.929 0.571 CB 1.322 29 residues pruned to eliminate duplicates Z: 39 19.239 1.943 0.521 0.416 0.895 0.447 CB 1.288 39 residues pruned to eliminate duplicates Z: 34 19.229 1.927 0.638 0.420 0.939 0.424 CB 1.227 34 residues pruned to eliminate duplicates Z: 41 19.816 1.948 0.558 0.414 0.900 0.450 CB 1.255 41 residues pruned to eliminate duplicates Z: 37 17.044 1.878 0.539 0.416 0.861 0.417 CB 1.246 37 residues pruned to eliminate duplicates Z: 45 17.604 1.891 0.419 0.413 0.841 0.477 CB 1.288 45 residues pruned to eliminate duplicates Z: 19 16.007 2.101 0.618 0.434 0.889 0.500 CB 1.336 19 residues pruned to eliminate duplicates Z: 26 12.506 1.918 0.492 0.373 0.800 0.440 CB 1.252 26 residues pruned to eliminate duplicates Z: 38 22.372 1.966 0.581 0.488 0.919 0.541 CB 1.302 38 residues pruned to eliminate duplicates Z: 142 56.888 2.114 0.595 0.551 0.915 0.617 CB 1.477 142 residues pruned to eliminate duplicates Z: 39 19.948 1.906 0.540 0.476 0.895 0.579 CB 1.261 39 residues pruned to eliminate duplicates Z: 21 11.450 2.012 0.611 0.422 0.750 0.550 CB 1.142 21 residues pruned to eliminate duplicates Z: 41 18.616 1.893 0.618 0.431 0.925 0.650 CB 1.116 41 residues pruned to eliminate duplicates Z: 79 38.280 2.066 0.605 0.541 0.897 0.654 CB 1.399 79 residues pruned to eliminate duplicates Z: 23 12.885 1.939 0.570 0.489 0.818 0.500 CB 1.115 23 residues pruned to eliminate duplicates Z: 41 20.362 1.957 0.520 0.451 0.875 0.500 CB 1.301 41 residues pruned to eliminate duplicates Z: 42 19.248 1.910 0.473 0.442 0.878 0.488 CB 1.292 42 residues pruned to eliminate duplicates Z: 105 48.586 2.150 0.527 0.560 0.894 0.702 CB 1.531 105 residues pruned to eliminate duplicates Z: 48 25.215 2.047 0.653 0.463 0.766 0.596 CB 1.474 48 residues pruned to eliminate duplicates Z: 50 33.707 2.132 0.516 0.596 0.898 0.673 CB 1.515 50 residues pruned to eliminate duplicates Z: 47 32.822 2.128 0.529 0.587 0.913 0.739 CB 1.498 47 residues pruned to eliminate duplicates Z: 45 33.953 2.178 0.506 0.602 0.909 0.705 CB 1.558 45 residues pruned to eliminate duplicates Z: 47 29.832 2.125 0.444 0.571 0.870 0.674 CB 1.539 47 residues pruned to eliminate duplicates Z: 97 54.231 2.179 0.599 0.608 0.906 0.698 CB 1.583 97 residues pruned to eliminate duplicates Z: 48 33.838 2.117 0.509 0.599 0.936 0.617 CB 1.503 48 residues pruned to eliminate duplicates Z: 46 29.055 2.062 0.399 0.649 0.911 0.756 CB 1.433 46 residues pruned to eliminate duplicates Z: 79 38.490 2.076 0.580 0.551 0.885 0.615 CB 1.429 79 residues pruned to eliminate duplicates Z: 83 44.779 2.083 0.563 0.624 0.927 0.695 CB 1.457 83 residues pruned to eliminate duplicates Z: 48 29.997 2.111 0.449 0.577 0.894 0.702 CB 1.486 48 residues pruned to eliminate duplicates Z: 73 39.051 2.053 0.601 0.576 0.944 0.625 CB 1.377 73 residues pruned to eliminate duplicates Z: 40 39.255 2.170 0.723 0.668 0.923 0.769 CB 1.560 40 residues pruned to eliminate duplicates Z: 47 34.206 2.128 0.577 0.588 0.891 0.609 CB 1.550 47 residues pruned to eliminate duplicates Z: 41 38.273 2.153 0.800 0.645 0.900 0.725 CB 1.515 41 residues pruned to eliminate duplicates Z: 48 38.710 2.153 0.740 0.606 0.915 0.553 CB 1.490 48 residues pruned to eliminate duplicates Z: 49 38.208 2.124 0.728 0.587 0.917 0.625 CB 1.509 49 residues pruned to eliminate duplicates Z: 47 37.292 2.159 0.658 0.597 0.913 0.652 CB 1.533 47 residues pruned to eliminate duplicates Z: 57 35.714 2.090 0.638 0.564 0.875 0.589 CB 1.498 57 residues pruned to eliminate duplicates Z: 62 43.943 2.131 0.796 0.568 0.951 0.574 CB 1.447 62 residues pruned to eliminate duplicates Z: 88 49.498 2.135 0.630 0.613 0.908 0.690 CB 1.509 88 residues pruned to eliminate duplicates Z: 48 37.294 2.086 0.843 0.587 0.872 0.532 CB 1.493 48 residues pruned to eliminate duplicates Z: 38 37.969 2.103 0.965 0.643 0.919 0.514 CB 1.438 38 residues pruned to eliminate duplicates Z: 121 59.319 2.191 0.690 0.591 0.892 0.583 CB 1.503 121 residues pruned to eliminate duplicates Z: 40 36.880 2.064 0.758 0.685 0.923 0.436 CB 1.488 40 residues pruned to eliminate duplicates Z: 44 38.186 2.156 0.795 0.624 0.907 0.628 CB 1.476 44 residues pruned to eliminate duplicates Z: 40 42.544 2.153 0.901 0.671 0.923 0.538 CB 1.540 40 residues pruned to eliminate duplicates Z: 46 40.771 2.137 0.804 0.616 0.933 0.533 CB 1.514 46 residues pruned to eliminate duplicates Z: 82 47.489 2.107 0.700 0.625 0.889 0.531 CB 1.473 82 residues pruned to eliminate duplicates Z: 42 33.044 2.071 0.756 0.635 0.878 0.415 CB 1.424 42 residues pruned to eliminate duplicates Z: 109 56.530 2.155 0.678 0.584 0.917 0.611 CB 1.515 109 residues pruned to eliminate duplicates Z: 36 36.782 2.069 0.919 0.698 0.886 0.429 CB 1.475 36 residues pruned to eliminate duplicates Z: 47 40.331 2.140 0.913 0.600 0.891 0.478 CB 1.481 47 residues pruned to eliminate duplicates Z: 102 55.375 2.172 0.678 0.595 0.901 0.584 CB 1.532 102 residues pruned to eliminate duplicates Z: 109 57.919 2.168 0.676 0.581 0.935 0.546 CB 1.518 109 residues pruned to eliminate duplicates Z: 45 39.351 2.070 0.939 0.585 0.909 0.500 CB 1.499 45 residues pruned to eliminate duplicates Z: 139 63.390 2.114 0.718 0.580 0.935 0.594 CB 1.471 138 residues pruned to eliminate duplicates Z: 7 7.462 1.735 0.511 0.452 0.833 0.667 CB 1.465 7 residues pruned to eliminate duplicates Z: 48 32.201 2.094 0.700 0.574 0.872 0.383 CB 1.408 48 residues pruned to eliminate duplicates Z: 19 11.631 1.939 0.351 0.412 0.889 0.667 CB 1.291 19 residues pruned to eliminate duplicates Z: 98 55.654 2.144 0.728 0.583 0.938 0.598 CB 1.502 98 residues pruned to eliminate duplicates Z: 95 56.615 2.165 0.733 0.613 0.957 0.543 CB 1.461 95 residues pruned to eliminate duplicates Z: 83 50.945 2.155 0.609 0.616 0.927 0.610 CB 1.568 83 residues pruned to eliminate duplicates Z: 63 40.723 2.190 0.484 0.550 0.952 0.629 CB 1.593 63 residues pruned to eliminate duplicates Z: 10 12.721 2.115 0.320 0.702 1.000 0.889 CB 1.263 10 residues pruned to eliminate duplicates Z: 42 30.687 2.100 0.450 0.637 0.951 0.634 CB 1.455 42 residues pruned to eliminate duplicates Z: 41 34.052 2.164 0.456 0.670 0.975 0.725 CB 1.498 41 residues pruned to eliminate duplicates Z: 35 34.831 2.087 0.647 0.698 0.971 0.706 CB 1.495 35 residues pruned to eliminate duplicates Z: 32 32.252 2.056 0.741 0.677 0.968 0.677 CA 1.421 32 residues pruned to eliminate duplicates Z: 46 28.150 1.963 0.469 0.588 0.956 0.689 CB 1.399 46 residues pruned to eliminate duplicates Z: 29 36.070 2.160 0.641 0.728 1.000 0.750 CB 1.567 29 residues pruned to eliminate duplicates Z: 40 30.706 2.108 0.566 0.638 0.923 0.692 CB 1.418 40 residues pruned to eliminate duplicates Z: 46 39.885 2.234 0.550 0.607 0.956 0.644 CB 1.623 46 residues pruned to eliminate duplicates Z: 62 43.570 2.215 0.537 0.544 0.967 0.672 CB 1.623 62 residues pruned to eliminate duplicates Z: 62 43.844 2.223 0.590 0.599 0.934 0.672 CB 1.546 62 residues pruned to eliminate duplicates Z: 98 57.431 2.182 0.726 0.591 0.928 0.619 CB 1.529 98 residues pruned to eliminate duplicates Z: 57 44.176 2.227 0.556 0.573 0.964 0.696 CB 1.647 57 residues pruned to eliminate duplicates Z: 60 33.434 2.111 0.543 0.528 0.932 0.559 CB 1.394 60 residues pruned to eliminate duplicates Z: 62 42.518 2.209 0.513 0.584 0.967 0.623 CB 1.554 62 residues pruned to eliminate duplicates Z: 40 28.789 2.081 0.422 0.618 0.974 0.641 CB 1.430 40 residues pruned to eliminate duplicates Z: 61 45.515 2.216 0.602 0.565 0.967 0.617 CB 1.609 61 residues pruned to eliminate duplicates Z: 62 42.437 2.185 0.567 0.607 0.967 0.689 CB 1.483 62 residues pruned to eliminate duplicates Z: 62 42.586 2.206 0.578 0.550 0.984 0.672 CB 1.517 62 residues pruned to eliminate duplicates Z: 61 43.023 2.223 0.505 0.577 0.983 0.617 CB 1.567 61 residues pruned to eliminate duplicates Z: 75 39.408 2.149 0.516 0.485 0.946 0.622 CB 1.508 75 residues pruned to eliminate duplicates Z: 61 36.675 2.204 0.412 0.506 0.950 0.583 CB 1.592 61 residues pruned to eliminate duplicates Z: 56 41.773 2.220 0.548 0.561 0.964 0.655 CB 1.603 56 residues pruned to eliminate duplicates Z: 55 42.539 2.257 0.546 0.573 0.963 0.648 CB 1.606 55 residues pruned to eliminate duplicates Z: 62 40.562 2.206 0.553 0.533 0.967 0.557 CB 1.517 62 residues pruned to eliminate duplicates Z: 61 41.847 2.200 0.602 0.558 0.967 0.633 CB 1.499 61 residues pruned to eliminate duplicates Z: 55 43.599 2.239 0.639 0.557 0.963 0.685 CB 1.588 55 residues pruned to eliminate duplicates Z: 58 47.258 2.268 0.597 0.581 0.982 0.649 CB 1.627 58 residues pruned to eliminate duplicates Z: 25 21.614 2.009 0.443 0.687 0.917 0.625 CB 1.398 25 residues pruned to eliminate duplicates Z: 59 42.788 2.188 0.575 0.591 0.966 0.690 CB 1.547 59 residues pruned to eliminate duplicates Z: 46 39.392 2.228 0.577 0.625 0.978 0.756 CB 1.519 46 residues pruned to eliminate duplicates Z: 62 45.539 2.227 0.589 0.548 0.984 0.574 CB 1.598 62 residues pruned to eliminate duplicates Z: 63 44.189 2.191 0.570 0.590 0.952 0.726 CB 1.573 63 residues pruned to eliminate duplicates Z: 26 27.978 2.320 0.576 0.455 0.960 0.680 CB 1.669 26 residues pruned to eliminate duplicates Z: 61 43.601 2.203 0.514 0.599 0.967 0.583 CB 1.589 61 residues pruned to eliminate duplicates Z: 58 40.466 2.233 0.521 0.557 0.947 0.509 CB 1.577 58 residues pruned to eliminate duplicates Z: 27 28.116 2.306 0.580 0.402 1.000 0.577 CB 1.678 27 residues pruned to eliminate duplicates Z: 25 28.703 2.264 0.803 0.460 0.958 0.667 CB 1.560 25 residues pruned to eliminate duplicates Z: 24 27.501 2.327 0.775 0.418 0.913 0.609 CA 1.655 24 residues pruned to eliminate duplicates Z: 24 31.009 2.306 0.746 0.529 0.957 0.739 CB 1.631 24 residues pruned to eliminate duplicates Z: 33 25.187 2.147 0.607 0.399 0.938 0.469 CB 1.531 33 residues pruned to eliminate duplicates Z: 31 24.741 2.231 0.706 0.422 0.900 0.600 CB 1.430 31 residues pruned to eliminate duplicates Z: 23 28.063 2.363 0.638 0.457 0.909 0.591 CB 1.777 23 residues pruned to eliminate duplicates Z: 49 33.711 2.144 0.657 0.477 1.000 0.604 CB 1.401 49 residues pruned to eliminate duplicates Z: 27 26.731 2.334 0.535 0.422 0.923 0.462 CB 1.719 27 residues pruned to eliminate duplicates Z: 49 35.579 2.176 0.648 0.514 0.979 0.562 CB 1.442 49 residues pruned to eliminate duplicates Z: 26 29.704 2.281 0.689 0.485 0.920 0.600 CB 1.701 26 residues pruned to eliminate duplicates Z: 22 30.498 2.356 0.773 0.462 0.905 0.667 CB 1.829 22 residues pruned to eliminate duplicates Z: 26 27.680 2.318 0.798 0.430 0.880 0.560 CB 1.622 26 residues pruned to eliminate duplicates Z: 25 29.392 2.297 0.732 0.463 0.917 0.583 CB 1.709 25 residues pruned to eliminate duplicates Z: 26 39.200 2.333 0.977 0.495 1.000 0.640 CB 1.708 26 residues pruned to eliminate duplicates Z: 62 40.989 2.194 0.568 0.589 0.934 0.656 CB 1.498 62 residues pruned to eliminate duplicates Z: 26 34.293 2.260 0.768 0.562 0.960 0.760 CB 1.684 26 residues pruned to eliminate duplicates Z: 24 33.215 2.370 0.674 0.506 0.957 0.652 CB 1.814 24 residues pruned to eliminate duplicates Z: 63 43.200 2.195 0.591 0.573 0.968 0.613 CB 1.513 63 residues pruned to eliminate duplicates Z: 23 38.728 2.380 0.921 0.554 0.955 0.773 CB 1.795 23 residues pruned to eliminate duplicates Z: 41 28.286 2.053 0.673 0.516 0.900 0.675 CB 1.424 41 residues pruned to eliminate duplicates Z: 53 29.741 2.073 0.693 0.472 0.846 0.538 CB 1.429 53 residues pruned to eliminate duplicates Z: 138 55.577 2.110 0.769 0.530 0.883 0.540 CB 1.398 52 residues pruned to eliminate duplicates Z: 10 21.912 2.165 0.880 0.899 0.889 0.667 CB 1.443 10 residues pruned to eliminate duplicates Z: 42 26.894 2.006 0.779 0.509 0.878 0.634 CB 1.329 42 residues pruned to eliminate duplicates Z: 93 48.787 2.195 0.642 0.549 0.924 0.609 CB 1.455 93 residues pruned to eliminate duplicates Z: 21 26.132 2.040 0.747 0.662 0.950 0.650 CB 1.486 21 residues pruned to eliminate duplicates Z: 46 35.078 2.123 0.813 0.502 0.911 0.467 CB 1.488 46 residues pruned to eliminate duplicates Z: 53 33.775 2.113 0.700 0.483 0.923 0.558 CB 1.437 53 residues pruned to eliminate duplicates Z: 50 30.847 2.038 0.807 0.464 0.878 0.571 CB 1.415 50 residues pruned to eliminate duplicates Z: 23 26.570 1.988 0.785 0.615 1.000 0.545 CB 1.431 23 residues pruned to eliminate duplicates Z: 40 33.983 2.034 0.812 0.506 0.949 0.538 CB 1.546 40 residues pruned to eliminate duplicates Z: 34 26.674 2.037 0.693 0.433 0.970 0.455 CB 1.488 43 residues pruned to eliminate duplicates Z: 30 20.286 1.890 0.662 0.501 0.897 0.414 CB 1.336 30 residues pruned to eliminate duplicates Z: 41 31.179 2.004 0.883 0.514 0.925 0.525 CB 1.392 41 residues pruned to eliminate duplicates Z: 24 23.613 2.019 0.714 0.603 0.913 0.435 CB 1.413 24 residues pruned to eliminate duplicates Z: 55 31.986 2.073 0.686 0.434 0.926 0.463 CB 1.440 55 residues pruned to eliminate duplicates Z: 105 52.682 2.202 0.725 0.541 0.904 0.615 CB 1.446 105 residues pruned to eliminate duplicates Z: 46 33.879 2.108 0.709 0.491 0.933 0.533 CB 1.516 46 residues pruned to eliminate duplicates Z: 13 12.994 1.837 0.434 0.577 1.000 0.333 CB 1.322 13 residues pruned to eliminate duplicates Z: 42 21.386 2.083 0.354 0.405 0.902 0.439 CB 1.449 42 residues pruned to eliminate duplicates Z: 81 46.385 2.167 0.767 0.546 0.913 0.562 CB 1.419 81 residues pruned to eliminate duplicates Z: 21 22.014 2.200 0.824 0.447 0.950 0.600 CB 1.363 21 residues pruned to eliminate duplicates Z: 53 33.984 2.093 0.710 0.469 0.942 0.519 CB 1.442 53 residues pruned to eliminate duplicates Z: 53 33.289 2.098 0.693 0.478 0.942 0.577 CB 1.410 53 residues pruned to eliminate duplicates Z: 43 34.660 2.088 0.748 0.489 0.929 0.524 CB 1.595 43 residues pruned to eliminate duplicates Z: 40 36.470 2.076 0.865 0.505 0.974 0.641 CB 1.539 40 residues pruned to eliminate duplicates Z: 94 48.847 2.204 0.678 0.531 0.914 0.613 CB 1.453 94 residues pruned to eliminate duplicates Z: 49 33.210 2.087 0.765 0.501 0.896 0.542 CB 1.451 49 residues pruned to eliminate duplicates Z: 53 35.350 2.119 0.736 0.473 0.962 0.423 CB 1.425 53 residues pruned to eliminate duplicates Z: 47 33.806 2.078 0.754 0.497 0.935 0.522 CB 1.468 47 residues pruned to eliminate duplicates Z: 53 35.833 2.122 0.727 0.493 0.923 0.558 CB 1.479 53 residues pruned to eliminate duplicates Z: 46 31.038 2.101 0.562 0.477 0.956 0.422 CB 1.511 46 residues pruned to eliminate duplicates Z: 45 24.536 2.002 0.666 0.403 0.864 0.455 CB 1.421 45 residues pruned to eliminate duplicates Z: 44 29.520 2.084 0.616 0.444 0.907 0.488 CB 1.561 44 residues pruned to eliminate duplicates Z: 58 38.842 2.258 0.654 0.572 0.895 0.649 CB 1.437 58 residues pruned to eliminate duplicates Z: 97 48.976 2.160 0.664 0.549 0.927 0.583 CB 1.431 97 residues pruned to eliminate duplicates Z: 45 23.050 2.066 0.579 0.355 0.909 0.432 CB 1.370 45 residues pruned to eliminate duplicates Z: 40 23.584 2.077 0.618 0.418 0.846 0.436 CB 1.447 40 residues pruned to eliminate duplicates Z: 52 32.120 2.130 0.635 0.474 0.902 0.490 CB 1.470 52 residues pruned to eliminate duplicates Z: 52 25.829 2.052 0.609 0.374 0.882 0.431 CB 1.421 52 residues pruned to eliminate duplicates Z: 42 32.664 2.129 0.738 0.478 0.927 0.415 CB 1.521 42 residues pruned to eliminate duplicates Z: 74 47.495 2.207 0.800 0.571 0.904 0.644 CB 1.445 74 residues pruned to eliminate duplicates Z: 42 29.944 2.154 0.634 0.478 0.927 0.488 CB 1.466 42 residues pruned to eliminate duplicates Z: 110 64.033 2.327 0.717 0.582 0.917 0.615 CB 1.547 110 residues pruned to eliminate duplicates Z: 42 37.446 2.279 0.712 0.647 0.951 0.756 CB 1.374 42 residues pruned to eliminate duplicates Z: 43 25.895 2.073 0.561 0.461 0.905 0.476 CB 1.419 43 residues pruned to eliminate duplicates Z: 16 13.621 2.132 0.470 0.412 0.933 0.533 CB 1.319 16 residues pruned to eliminate duplicates Z: 29 24.770 2.248 0.848 0.441 0.857 0.500 CB 1.398 29 residues pruned to eliminate duplicates Z: 82 44.870 2.194 0.609 0.545 0.926 0.568 CB 1.459 82 residues pruned to eliminate duplicates Z: 54 33.359 2.210 0.562 0.565 0.887 0.604 CB 1.406 54 residues pruned to eliminate duplicates Z: 39 39.644 2.307 0.726 0.674 0.947 0.711 CB 1.452 39 residues pruned to eliminate duplicates Z: 102 65.703 2.337 0.703 0.613 0.960 0.624 CB 1.537 102 residues pruned to eliminate duplicates Z: 66 40.394 2.229 0.676 0.593 0.877 0.631 CB 1.399 66 residues pruned to eliminate duplicates Z: 31 46.587 2.355 0.899 0.811 0.967 0.733 CB 1.501 31 residues pruned to eliminate duplicates Z: 12 23.361 2.297 1.082 0.519 0.909 0.364 CB 1.590 12 residues pruned to eliminate duplicates Z: 151 69.486 2.267 0.724 0.552 0.900 0.653 CB 1.533 151 residues pruned to eliminate duplicates Z: 87 46.785 2.259 0.569 0.603 0.872 0.628 CB 1.480 87 residues pruned to eliminate duplicates Z: 50 39.112 2.283 0.687 0.594 0.918 0.673 CB 1.444 50 residues pruned to eliminate duplicates Z: 47 39.045 2.293 0.695 0.613 0.891 0.674 CB 1.492 47 residues pruned to eliminate duplicates Z: 30 29.100 2.319 0.867 0.550 0.897 0.586 CB 1.325 30 residues pruned to eliminate duplicates Z: 38 37.915 2.295 0.740 0.684 0.892 0.676 CB 1.478 38 residues pruned to eliminate duplicates Z: 33 33.828 2.362 0.691 0.641 0.906 0.688 CB 1.447 33 residues pruned to eliminate duplicates Z: 53 36.805 2.232 0.688 0.559 0.885 0.673 CB 1.446 53 residues pruned to eliminate duplicates Z: 31 43.322 2.349 0.881 0.789 0.933 0.733 CB 1.488 31 residues pruned to eliminate duplicates Z: 78 47.299 2.200 0.785 0.542 0.909 0.532 CB 1.449 78 residues pruned to eliminate duplicates Z: 50 36.427 2.214 0.725 0.583 0.898 0.592 CB 1.401 50 residues pruned to eliminate duplicates Z: 86 62.766 2.326 0.825 0.642 0.918 0.647 CB 1.530 86 residues pruned to eliminate duplicates Z: 38 45.833 2.271 1.030 0.686 0.919 0.676 CB 1.500 38 residues pruned to eliminate duplicates Z: 101 54.792 2.205 0.784 0.552 0.910 0.590 CB 1.455 101 residues pruned to eliminate duplicates Z: 121 53.776 2.186 0.688 0.565 0.858 0.642 CB 1.455 121 residues pruned to eliminate duplicates Z: 49 40.336 2.297 0.876 0.602 0.854 0.583 CB 1.435 49 residues pruned to eliminate duplicates Z: 82 43.188 2.174 0.747 0.558 0.852 0.531 CB 1.402 82 residues pruned to eliminate duplicates Z: 49 47.050 2.321 0.896 0.611 0.938 0.521 CB 1.482 49 residues pruned to eliminate duplicates Z: 43 47.642 2.227 1.054 0.688 0.929 0.595 CB 1.457 43 residues pruned to eliminate duplicates Z: 40 36.522 2.261 0.948 0.615 0.872 0.538 CB 1.366 40 residues pruned to eliminate duplicates Z: 93 54.513 2.217 0.858 0.568 0.902 0.543 CB 1.432 93 residues pruned to eliminate duplicates Z: 100 68.612 2.309 0.800 0.603 0.970 0.455 CB 1.550 100 residues pruned to eliminate duplicates Z: 92 54.931 2.203 0.897 0.548 0.890 0.407 CB 1.476 92 residues pruned to eliminate duplicates Z: 47 48.679 2.280 1.087 0.603 0.891 0.391 CB 1.535 47 residues pruned to eliminate duplicates Z: 37 43.503 2.280 1.025 0.696 0.861 0.556 CB 1.525 37 residues pruned to eliminate duplicates Z: 48 43.571 2.282 1.007 0.584 0.872 0.404 CB 1.468 48 residues pruned to eliminate duplicates Z: 51 45.131 2.277 1.045 0.585 0.880 0.480 CB 1.435 51 residues pruned to eliminate duplicates Z: 51 44.136 2.256 0.929 0.593 0.900 0.500 CB 1.458 51 residues pruned to eliminate duplicates Z: 89 57.131 2.258 0.879 0.610 0.886 0.557 CB 1.458 89 residues pruned to eliminate duplicates Z: 47 46.997 2.295 0.992 0.627 0.913 0.543 CB 1.473 47 residues pruned to eliminate duplicates Z: 41 47.352 2.251 1.276 0.641 0.900 0.450 CB 1.423 41 residues pruned to eliminate duplicates Z: 106 57.278 2.302 0.692 0.555 0.886 0.533 CB 1.536 106 residues pruned to eliminate duplicates Z: 42 35.100 2.229 0.594 0.647 0.951 0.659 CB 1.415 42 residues pruned to eliminate duplicates Z: 80 51.895 2.248 0.673 0.556 0.899 0.620 CB 1.635 80 residues pruned to eliminate duplicates Z: 65 54.689 2.344 0.626 0.587 0.984 0.734 CB 1.675 65 residues pruned to eliminate duplicates Z: 44 32.706 2.175 0.510 0.598 0.930 0.605 CB 1.487 44 residues pruned to eliminate duplicates Z: 61 41.147 2.280 0.549 0.537 0.933 0.650 CB 1.554 61 residues pruned to eliminate duplicates Z: 44 35.388 2.214 0.585 0.606 0.977 0.651 CB 1.423 44 residues pruned to eliminate duplicates Z: 64 46.722 2.289 0.598 0.537 0.937 0.603 CB 1.656 64 residues pruned to eliminate duplicates Z: 45 38.348 2.207 0.688 0.613 0.955 0.727 CB 1.461 45 residues pruned to eliminate duplicates Z: 47 28.897 2.132 0.533 0.544 0.870 0.565 CB 1.435 47 residues pruned to eliminate duplicates Z: 61 45.676 2.331 0.648 0.531 0.933 0.650 CB 1.596 61 residues pruned to eliminate duplicates Z: 43 34.315 2.252 0.521 0.596 0.929 0.643 CB 1.519 43 residues pruned to eliminate duplicates Z: 94 45.075 2.205 0.523 0.536 0.914 0.581 CB 1.470 94 residues pruned to eliminate duplicates Z: 41 35.237 2.260 0.620 0.588 0.950 0.550 CB 1.473 41 residues pruned to eliminate duplicates Z: 64 53.470 2.345 0.584 0.591 0.984 0.667 CB 1.689 64 residues pruned to eliminate duplicates Z: 37 37.450 2.226 0.680 0.667 0.944 0.778 CB 1.514 37 residues pruned to eliminate duplicates Z: 60 45.188 2.305 0.680 0.544 0.881 0.542 CB 1.651 60 residues pruned to eliminate duplicates Z: 42 35.822 2.257 0.639 0.601 0.927 0.659 CB 1.482 42 residues pruned to eliminate duplicates Z: 42 34.818 2.253 0.682 0.621 0.878 0.610 CB 1.459 42 residues pruned to eliminate duplicates Z: 41 34.696 2.267 0.537 0.648 0.900 0.700 CB 1.523 41 residues pruned to eliminate duplicates Z: 43 36.906 2.263 0.634 0.603 0.929 0.738 CB 1.504 43 residues pruned to eliminate duplicates Z: 62 44.236 2.268 0.624 0.522 0.918 0.607 CB 1.639 62 residues pruned to eliminate duplicates Z: 42 33.536 2.233 0.571 0.594 0.951 0.683 CB 1.435 42 residues pruned to eliminate duplicates Z: 40 35.543 2.245 0.639 0.627 0.923 0.615 CB 1.488 40 residues pruned to eliminate duplicates Z: 64 51.085 2.342 0.658 0.588 0.937 0.714 CB 1.626 64 residues pruned to eliminate duplicates Z: 35 35.452 2.277 0.724 0.601 0.882 0.676 CB 1.595 35 residues pruned to eliminate duplicates Z: 64 32.994 2.100 0.591 0.531 0.889 0.540 CB 1.357 64 residues pruned to eliminate duplicates Z: 43 38.182 2.292 0.550 0.631 0.929 0.714 CB 1.579 43 residues pruned to eliminate duplicates Z: 45 35.836 2.212 0.752 0.574 0.886 0.591 CB 1.465 45 residues pruned to eliminate duplicates Z: 42 36.178 2.288 0.580 0.585 0.902 0.610 CB 1.597 42 residues pruned to eliminate duplicates Z: 38 39.587 2.319 0.657 0.642 0.946 0.649 CB 1.568 38 residues pruned to eliminate duplicates Z: 41 33.851 2.270 0.546 0.610 0.900 0.625 CB 1.527 41 residues pruned to eliminate duplicates Z: 65 48.644 2.322 0.604 0.549 0.953 0.641 CB 1.633 65 residues pruned to eliminate duplicates Z: 60 46.511 2.358 0.550 0.587 0.932 0.712 CB 1.635 60 residues pruned to eliminate duplicates Z: 63 52.978 2.371 0.659 0.576 0.952 0.661 CB 1.670 63 residues pruned to eliminate duplicates Z: 101 49.920 2.209 0.597 0.521 0.910 0.610 CB 1.522 101 residues pruned to eliminate duplicates Z: 24 32.556 2.413 0.633 0.461 1.000 0.739 CA 1.793 24 residues pruned to eliminate duplicates Z: 64 45.903 2.327 0.623 0.534 0.905 0.667 CB 1.637 64 residues pruned to eliminate duplicates Z: 42 31.450 2.191 0.789 0.481 0.878 0.634 CB 1.455 183 residues pruned to eliminate duplicates Z: 65 52.160 2.329 0.810 0.542 0.906 0.609 CB 1.638 65 residues pruned to eliminate duplicates Z: 63 50.981 2.358 0.667 0.548 0.952 0.661 CB 1.651 63 residues pruned to eliminate duplicates Z: 37 26.803 2.109 0.676 0.447 0.917 0.556 CB 1.457 37 residues pruned to eliminate duplicates Z: 37 27.060 2.109 0.642 0.481 0.944 0.583 CB 1.406 37 residues pruned to eliminate duplicates Z: 100 53.849 2.225 0.609 0.555 0.949 0.616 CB 1.509 100 residues pruned to eliminate duplicates Z: 42 27.077 2.079 0.589 0.448 0.951 0.610 CB 1.419 42 residues pruned to eliminate duplicates Z: 113 58.402 2.218 0.732 0.536 0.920 0.607 CB 1.507 113 residues pruned to eliminate duplicates Z: 54 45.135 2.333 0.681 0.561 0.943 0.642 CB 1.579 54 residues pruned to eliminate duplicates Z: 72 36.319 2.177 0.538 0.470 0.901 0.549 CB 1.472 72 residues pruned to eliminate duplicates Z: 25 26.134 2.346 0.601 0.410 0.875 0.625 CB 1.785 25 residues pruned to eliminate duplicates Z: 22 32.882 2.419 0.777 0.493 0.905 0.667 CB 1.858 22 residues pruned to eliminate duplicates Z: 14 20.870 2.342 0.451 0.483 1.000 0.538 CB 1.732 14 residues pruned to eliminate duplicates Z: 27 33.761 2.389 0.710 0.482 0.962 0.615 CB 1.718 27 residues pruned to eliminate duplicates Z: 24 35.069 2.415 0.668 0.512 0.957 0.696 CB 1.876 24 residues pruned to eliminate duplicates Z: 25 40.634 2.468 0.812 0.510 1.000 0.625 CB 1.836 25 residues pruned to eliminate duplicates Z: 41 29.425 2.134 0.748 0.482 0.900 0.575 CB 1.412 41 residues pruned to eliminate duplicates Z: 38 33.771 2.192 0.715 0.498 0.973 0.541 CB 1.522 38 residues pruned to eliminate duplicates Z: 44 30.750 2.134 0.726 0.422 0.907 0.558 CB 1.522 44 residues pruned to eliminate duplicates Z: 9 17.417 2.232 0.540 0.646 1.000 0.625 CA 1.564 9 residues pruned to eliminate duplicates Z: 42 25.000 2.019 0.572 0.472 0.902 0.512 CB 1.403 42 residues pruned to eliminate duplicates Z: 25 38.271 2.378 0.935 0.541 0.958 0.708 CB 1.702 25 residues pruned to eliminate duplicates Z: 33 39.436 2.291 0.953 0.544 0.938 0.719 CB 1.591 33 residues pruned to eliminate duplicates Z: 33 37.122 2.239 0.876 0.507 0.938 0.656 CB 1.655 33 residues pruned to eliminate duplicates Z: 34 32.497 2.184 0.824 0.497 0.909 0.636 CB 1.567 34 residues pruned to eliminate duplicates Z: 7 9.345 1.820 0.487 0.554 1.000 0.333 CB 1.337 7 residues pruned to eliminate duplicates Z: 24 13.808 1.961 0.323 0.581 0.870 0.522 CB 1.181 24 residues pruned to eliminate duplicates Z: 46 26.170 2.089 0.533 0.503 0.911 0.533 CB 1.334 46 residues pruned to eliminate duplicates Z: 43 27.030 2.011 0.550 0.494 0.952 0.476 CB 1.414 41 residues pruned to eliminate duplicates Z: 8 22.056 2.127 0.919 0.893 1.000 0.714 CB 1.466 8 residues pruned to eliminate duplicates Z: 37 25.522 2.078 0.582 0.557 0.889 0.500 CB 1.377 37 residues pruned to eliminate duplicates Z: 49 26.686 2.097 0.539 0.497 0.896 0.604 CB 1.336 49 residues pruned to eliminate duplicates Z: 46 26.560 2.086 0.558 0.497 0.911 0.422 CB 1.341 46 residues pruned to eliminate duplicates Z: 23 19.278 2.002 0.605 0.580 0.955 0.500 CB 1.241 23 residues pruned to eliminate duplicates Z: 6 3.872 1.828 0.497 0.149 0.800 0.200 CB 1.219 Z: 9 4.344 1.434 0.373 0.390 0.875 0.625 C 1.002 8 residues pruned to eliminate duplicates Z: 6 4.144 1.753 0.584 0.303 0.600 0.400 CA 1.385 6 residues pruned to eliminate duplicates Z: 38 28.010 2.082 0.596 0.529 0.973 0.676 CB 1.384 45 residues pruned to eliminate duplicates Z: 7 4.619 1.675 0.445 0.255 0.833 0.500 CA 1.238 7 residues pruned to eliminate duplicates Z: 39 25.422 2.027 0.640 0.520 0.947 0.605 CB 1.285 39 residues pruned to eliminate duplicates Z: 52 27.751 2.038 0.632 0.445 0.902 0.549 CB 1.371 52 residues pruned to eliminate duplicates Z: 38 27.512 2.042 0.621 0.526 0.946 0.649 CB 1.408 39 residues pruned to eliminate duplicates Z: 6 4.416 1.659 0.843 0.270 1.000 0.600 CA 0.838 6 residues pruned to eliminate duplicates Z: 29 20.786 2.012 0.532 0.487 0.893 0.536 CB 1.446 29 residues pruned to eliminate duplicates Z: 39 25.035 2.021 0.603 0.509 0.947 0.553 CB 1.312 39 residues pruned to eliminate duplicates Z: 49 25.361 2.063 0.534 0.454 0.896 0.458 CB 1.353 49 residues pruned to eliminate duplicates Z: 45 28.063 2.078 0.655 0.472 0.932 0.523 CB 1.359 45 residues pruned to eliminate duplicates Z: 92 48.794 2.203 0.709 0.541 0.890 0.615 CB 1.466 91 residues pruned to eliminate duplicates Z: 7 3.673 1.543 0.505 0.488 0.667 0.667 CB 0.980 7 residues pruned to eliminate duplicates Z: 41 22.551 2.044 0.561 0.472 0.900 0.575 CB 1.278 41 residues pruned to eliminate duplicates Z: 49 37.473 2.275 0.696 0.540 0.875 0.708 CB 1.541 49 residues pruned to eliminate duplicates Z: 28 31.845 2.310 0.853 0.573 0.889 0.704 CB 1.501 28 residues pruned to eliminate duplicates Z: 92 51.770 2.212 0.720 0.563 0.912 0.648 CB 1.471 92 residues pruned to eliminate duplicates Z: 114 64.306 2.280 0.695 0.554 0.947 0.628 CB 1.568 114 residues pruned to eliminate duplicates Z: 85 57.765 2.307 0.724 0.619 0.893 0.607 CB 1.587 85 residues pruned to eliminate duplicates Z: 39 33.912 2.242 0.675 0.624 0.868 0.684 CB 1.501 39 residues pruned to eliminate duplicates Z: 63 33.216 2.163 0.657 0.525 0.839 0.597 CB 1.369 63 residues pruned to eliminate duplicates Z: 39 38.207 2.277 0.728 0.626 0.895 0.763 CB 1.564 39 residues pruned to eliminate duplicates Z: 24 32.070 2.187 0.983 0.665 0.913 0.696 CB 1.450 24 residues pruned to eliminate duplicates Z: 48 40.971 2.257 0.721 0.655 0.872 0.660 CB 1.528 48 residues pruned to eliminate duplicates Z: 30 40.399 2.283 0.696 0.790 0.966 0.862 CB 1.555 30 residues pruned to eliminate duplicates Z: 66 44.988 2.260 0.729 0.577 0.923 0.708 CB 1.437 66 residues pruned to eliminate duplicates Z: 23 36.107 2.363 0.803 0.747 0.909 0.818 CB 1.594 23 residues pruned to eliminate duplicates Z: 96 44.435 2.150 0.634 0.534 0.884 0.568 CB 1.419 96 residues pruned to eliminate duplicates Z: 49 39.250 2.293 0.715 0.553 0.875 0.562 CB 1.564 49 residues pruned to eliminate duplicates Z: 87 55.899 2.288 0.679 0.625 0.895 0.651 CB 1.558 87 residues pruned to eliminate duplicates Z: 47 41.896 2.248 0.790 0.677 0.913 0.674 CB 1.429 47 residues pruned to eliminate duplicates Z: 81 56.530 2.277 0.723 0.626 0.913 0.637 CB 1.568 81 residues pruned to eliminate duplicates Z: 91 59.549 2.242 0.764 0.604 0.900 0.656 CB 1.598 91 residues pruned to eliminate duplicates Z: 51 40.770 2.247 0.751 0.539 0.920 0.620 CB 1.533 51 residues pruned to eliminate duplicates Z: 81 56.976 2.283 0.736 0.646 0.913 0.625 CB 1.537 81 residues pruned to eliminate duplicates Z: 97 48.262 2.202 0.675 0.537 0.896 0.521 CB 1.437 97 residues pruned to eliminate duplicates Z: 54 40.725 2.281 0.732 0.582 0.868 0.528 CB 1.508 54 residues pruned to eliminate duplicates Z: 87 51.713 2.183 0.829 0.563 0.907 0.663 CB 1.449 87 residues pruned to eliminate duplicates Z: 52 47.697 2.287 0.880 0.609 0.922 0.510 CB 1.519 52 residues pruned to eliminate duplicates Z: 39 39.792 2.199 0.878 0.638 0.895 0.500 CB 1.536 39 residues pruned to eliminate duplicates Z: 46 43.246 2.283 0.786 0.654 0.889 0.622 CB 1.542 46 residues pruned to eliminate duplicates Z: 45 44.968 2.232 1.012 0.603 0.932 0.432 CB 1.469 45 residues pruned to eliminate duplicates Z: 60 42.562 2.251 0.883 0.523 0.864 0.424 CB 1.478 60 residues pruned to eliminate duplicates Z: 55 47.535 2.306 0.861 0.594 0.889 0.481 CB 1.549 55 residues pruned to eliminate duplicates Z: 77 52.226 2.280 0.715 0.621 0.882 0.539 CB 1.550 77 residues pruned to eliminate duplicates Z: 94 48.772 2.192 0.736 0.556 0.925 0.570 CB 1.361 94 residues pruned to eliminate duplicates Z: 37 52.261 2.320 1.197 0.665 0.944 0.333 CB 1.552 37 residues pruned to eliminate duplicates Z: 42 47.981 2.283 1.046 0.638 0.902 0.390 CB 1.562 42 residues pruned to eliminate duplicates Z: 63 45.563 2.225 0.954 0.563 0.871 0.468 CB 1.437 26 residues pruned to eliminate duplicates Z: 7 12.749 2.103 0.338 0.511 1.000 0.500 CB 1.830 7 residues pruned to eliminate duplicates Z: 91 58.438 2.252 0.857 0.582 0.900 0.522 CB 1.513 91 residues pruned to eliminate duplicates Z: 55 46.614 2.271 0.980 0.582 0.889 0.463 CB 1.466 56 residues pruned to eliminate duplicates Z: 6 5.270 1.978 -0.026 0.300 1.000 0.200 CA 1.529 Z: 6 2.743 1.668 0.160 0.445 0.600 0.200 CB 1.118 4 residues pruned to eliminate duplicates Z: 8 5.357 1.760 0.558 0.444 0.857 0.571 CB 0.913 7 residues pruned to eliminate duplicates Z: 6 4.356 1.462 1.194 0.435 0.800 0.600 CA 0.812 13 residues pruned to eliminate duplicates Z: 6 8.924 1.723 1.158 0.439 1.000 0.800 CA 1.143 Z: 8 7.690 1.808 1.166 0.380 0.857 0.286 CA 0.984 8 residues pruned to eliminate duplicates Z: 44 38.698 2.290 0.641 0.607 0.930 0.628 CB 1.525 44 residues pruned to eliminate duplicates Z: 41 41.548 2.298 0.788 0.613 0.925 0.675 CB 1.552 41 residues pruned to eliminate duplicates Z: 33 42.278 2.327 0.829 0.679 0.938 0.719 CB 1.589 33 residues pruned to eliminate duplicates Z: 89 63.061 2.275 0.911 0.603 0.909 0.500 CB 1.542 61 residues pruned to eliminate duplicates Z: 19 33.585 2.356 0.411 0.911 1.000 0.833 CB 1.688 19 residues pruned to eliminate duplicates Z: 34 40.527 2.229 0.814 0.713 0.970 0.667 CB 1.483 34 residues pruned to eliminate duplicates Z: 51 42.955 2.313 0.642 0.585 0.920 0.660 CB 1.602 51 residues pruned to eliminate duplicates Z: 26 38.991 2.288 0.697 0.702 1.000 0.640 CA 1.670 26 residues pruned to eliminate duplicates Z: 56 57.506 2.340 0.911 0.618 0.945 0.673 CB 1.641 56 residues pruned to eliminate duplicates Z: 64 50.860 2.326 0.684 0.549 0.968 0.730 CB 1.611 47 residues pruned to eliminate duplicates Z: 19 28.106 2.261 0.372 0.893 0.944 0.667 CA 1.623 19 residues pruned to eliminate duplicates Z: 28 38.533 2.252 0.683 0.657 1.000 0.556 CB 1.692 28 residues pruned to eliminate duplicates Z: 77 64.114 2.288 0.945 0.647 0.947 0.487 CB 1.521 77 residues pruned to eliminate duplicates Z: 34 44.766 2.311 0.938 0.721 0.909 0.636 CB 1.567 34 residues pruned to eliminate duplicates Z: 35 31.784 2.205 0.557 0.659 0.941 0.647 CB 1.456 35 residues pruned to eliminate duplicates Z: 34 34.393 2.252 0.618 0.680 0.970 0.667 CB 1.435 34 residues pruned to eliminate duplicates Z: 33 33.519 2.298 0.615 0.680 0.906 0.688 CB 1.494 33 residues pruned to eliminate duplicates Z: 50 49.436 2.343 0.796 0.533 0.939 0.653 CB 1.731 50 residues pruned to eliminate duplicates Z: 35 32.488 2.227 0.706 0.654 0.971 0.618 CB 1.309 35 residues pruned to eliminate duplicates Z: 37 35.238 2.175 0.730 0.583 0.889 0.556 CB 1.621 37 residues pruned to eliminate duplicates Z: 62 49.717 2.307 0.751 0.554 0.934 0.574 CB 1.600 62 residues pruned to eliminate duplicates Z: 41 44.649 2.295 0.761 0.642 0.975 0.575 CB 1.569 41 residues pruned to eliminate duplicates Z: 62 51.058 2.288 0.798 0.564 0.951 0.639 CB 1.570 62 residues pruned to eliminate duplicates Z: 56 52.394 2.356 0.740 0.561 0.964 0.600 CB 1.685 56 residues pruned to eliminate duplicates Z: 41 35.313 2.262 0.597 0.622 0.950 0.550 CB 1.450 41 residues pruned to eliminate duplicates Z: 10 8.221 2.160 0.475 0.382 0.778 0.333 CB 1.254 10 residues pruned to eliminate duplicates Z: 22 23.499 2.298 0.677 0.409 0.905 0.619 CB 1.617 22 residues pruned to eliminate duplicates Z: 14 13.528 2.101 0.554 0.359 0.923 0.538 CB 1.449 14 residues pruned to eliminate duplicates Z: 33 37.143 2.400 0.723 0.470 0.969 0.688 CB 1.691 33 residues pruned to eliminate duplicates Z: 6 4.064 1.676 0.424 0.393 1.000 0.400 CB 0.853 Z: 6 7.720 2.097 0.309 0.369 1.000 0.400 CB 1.446 Z: 6 10.542 2.400 0.515 0.449 1.000 0.800 CA 1.366 Z: 6 8.563 1.712 0.983 0.495 0.800 0.400 CA 1.417 6 residues pruned to eliminate duplicates Z: 29 29.007 2.347 0.743 0.388 0.893 0.607 CB 1.690 35 residues pruned to eliminate duplicates Z: 66 53.556 2.340 0.771 0.560 0.954 0.692 CB 1.586 66 residues pruned to eliminate duplicates Z: 23 35.009 2.416 0.798 0.483 0.955 0.636 CB 1.831 23 residues pruned to eliminate duplicates Z: 25 34.032 2.368 0.842 0.467 0.917 0.583 CA 1.797 25 residues pruned to eliminate duplicates Z: 13 21.510 2.295 0.892 0.389 1.000 0.500 CB 1.608 13 residues pruned to eliminate duplicates Z: 48 39.584 2.179 0.795 0.509 0.957 0.553 CB 1.528 48 residues pruned to eliminate duplicates Z: 32 28.781 2.318 0.692 0.461 0.871 0.548 CB 1.574 32 residues pruned to eliminate duplicates Z: 34 35.807 2.409 0.775 0.473 0.879 0.697 CB 1.705 46 residues pruned to eliminate duplicates Z: 6 6.606 1.613 0.522 0.432 1.000 0.600 CA 1.290 6 residues pruned to eliminate duplicates Z: 25 38.004 2.389 0.958 0.512 0.917 0.667 CB 1.787 24 residues pruned to eliminate duplicates 309 residues left after pruning, divided into chains as follows: A: 12 B: 91 C: 195 D: 11 CC for partial structure against native data = 32.38 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.509, Connect. = 0.718 for dens.mod. cycle 1 = 0.300, Contrast = 0.597, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.712, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.732, Connect. = 0.793 for dens.mod. cycle 4 = 0.300, Contrast = 0.750, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.758, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.766, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.771, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.774, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.777, Connect. = 0.804 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.02 - 3.18 - 2.78 - 2.52 - 2.34 - 2.20 - 2.09 - 2.00 - 1.92 - 1.85 0.752 0.774 0.774 0.768 0.750 0.737 0.738 0.729 0.706 0.670 0.905 0.916 0.921 0.909 0.889 0.862 0.860 0.846 0.818 0.775 N 4684 4750 4637 4797 4671 4764 4668 4664 4891 4231 Estimated mean FOM = 0.740 Pseudo-free CC = 75.90 % Best trace (cycle 3 with CC 46.32%) was saved as ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 5.0 - FFTs and peak-searches 17.4 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 959.6 - Tripeptide search 12625.5 - Chain tracing 0.0 - NCS analysis 26.2 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 05:15:24 Total time: 13634.92 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 228.37 Used memory is bytes: 4629408