++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:02:05 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: ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.ins Phases from ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.phi Native data from ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.hkl Listing output to ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.lst Phases output to ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.phs Poly-Ala trace output to ./1vpm-1.7-parrot-noncs/1vpm-1.7-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: I 21 21 21 Allowed origin shift code: 15 62686 Reflections read from file ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.phi 62686 Reflections read from file ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.hkl 62686 Unique data, highest resolution = 1.660 Angstroms Anisotropic scaling: intensities multiplied by 0.000041h^2 +0.000113k^2 -0.000082l^2 +0.000000kl +0.000000hl +0.000000hk 181 Reflections with d > 1.860 and 0 in range 1.860 > d > 1.660 added Density sharpening factor set to 1.26 Fourier grid = 256 x 256 x 55 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.689 = 0.300, Contrast = 0.400, Connect. = 0.749 for dens.mod. cycle 1 = 0.300, Contrast = 0.531, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.707, Connect. = 0.808 for dens.mod. cycle 3 = 0.300, Contrast = 0.758, Connect. = 0.818 for dens.mod. cycle 4 = 0.300, Contrast = 0.779, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 0.792, Connect. = 0.827 for dens.mod. cycle 6 = 0.300, Contrast = 0.799, Connect. = 0.830 for dens.mod. cycle 7 = 0.300, Contrast = 0.804, Connect. = 0.832 for dens.mod. cycle 8 = 0.300, Contrast = 0.806, Connect. = 0.833 for dens.mod. cycle 9 = 0.300, Contrast = 0.809, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2157 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 526 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 54.989 2.570 0.973 0.937 1.000 0.952 CB 1.647 B: 22 58.030 2.567 1.106 0.948 1.000 0.905 CB 1.618 22 residues pruned to eliminate duplicates C: 22 50.344 2.561 0.835 0.930 1.000 0.905 CB 1.635 22 residues pruned to eliminate duplicates D: 23 37.033 2.036 0.928 0.921 1.000 0.909 CB 1.415 E: 22 54.122 2.572 0.977 0.932 1.000 0.857 CB 1.622 22 residues pruned to eliminate duplicates F: 22 64.061 2.584 1.224 0.945 1.000 0.857 CB 1.683 22 residues pruned to eliminate duplicates G: 22 45.374 2.554 0.729 0.935 0.952 0.905 CB 1.641 22 residues pruned to eliminate duplicates H: 22 58.931 2.586 1.242 0.908 0.952 0.810 CB 1.655 22 residues pruned to eliminate duplicates I: 23 36.321 2.048 0.820 0.916 1.000 0.909 CB 1.467 23 residues pruned to eliminate duplicates J: 22 61.710 2.571 1.198 0.946 1.000 0.952 CB 1.648 22 residues pruned to eliminate duplicates K: 22 51.458 2.574 0.821 0.949 1.000 0.905 CB 1.653 22 residues pruned to eliminate duplicates L: 21 45.094 2.354 0.770 0.944 1.000 0.950 CB 1.676 M: 22 46.540 2.309 0.963 0.951 1.000 0.905 CB 1.545 21 residues pruned to eliminate duplicates N: 76 62.727 2.187 1.110 0.620 0.973 0.667 CB 1.439 22 residues pruned to eliminate duplicates O: 22 63.144 2.570 1.160 0.940 1.000 0.952 CB 1.724 22 residues pruned to eliminate duplicates P: 20 46.999 2.464 0.750 0.954 1.000 0.947 CB 1.720 Q: 22 61.152 2.569 1.189 0.952 1.000 0.857 CB 1.633 22 residues pruned to eliminate duplicates R: 22 64.312 2.566 1.316 0.947 1.000 0.905 CB 1.632 22 residues pruned to eliminate duplicates S: 22 53.594 2.556 1.009 0.918 1.000 0.905 CB 1.607 22 residues pruned to eliminate duplicates T: 22 43.300 2.307 0.828 0.943 1.000 0.905 CB 1.553 22 residues pruned to eliminate duplicates U: 21 53.311 2.442 1.195 0.940 1.000 0.900 CB 1.545 20 residues pruned to eliminate duplicates V: 21 49.267 2.442 0.950 0.940 1.000 1.000 CB 1.607 21 residues pruned to eliminate duplicates W: 22 41.515 2.294 0.840 0.940 1.000 0.905 CB 1.491 22 residues pruned to eliminate duplicates X: 22 44.232 2.308 0.856 0.947 1.000 0.952 CB 1.557 22 residues pruned to eliminate duplicates Y: 21 52.710 2.463 1.027 0.948 1.000 1.000 CB 1.630 21 residues pruned to eliminate duplicates Z: 22 64.136 2.577 1.237 0.957 1.000 0.857 CB 1.666 22 residues pruned to eliminate duplicates Z: 20 53.855 2.394 1.025 0.940 1.000 0.947 CB 1.770 20 residues pruned to eliminate duplicates Z: 23 31.900 2.023 0.616 0.924 1.000 0.818 CB 1.461 23 residues pruned to eliminate duplicates Z: 22 44.527 2.329 0.833 0.950 1.000 0.905 CB 1.570 22 residues pruned to eliminate duplicates Z: 93 82.871 2.417 1.065 0.574 0.957 0.685 CB 1.685 22 residues pruned to eliminate duplicates Z: 21 59.169 2.448 1.263 0.950 1.000 0.950 CB 1.647 21 residues pruned to eliminate duplicates Z: 128 97.568 2.383 1.119 0.614 0.929 0.732 CB 1.656 92 residues pruned to eliminate duplicates Z: 21 48.827 2.634 0.634 0.940 1.000 0.950 CB 1.760 21 residues pruned to eliminate duplicates Z: 74 65.503 2.259 1.047 0.604 0.945 0.740 CB 1.588 74 residues pruned to eliminate duplicates Z: 22 47.937 2.312 1.034 0.947 1.000 0.952 CB 1.537 22 residues pruned to eliminate duplicates Z: 71 70.710 2.270 1.106 0.650 0.929 0.786 CB 1.656 71 residues pruned to eliminate duplicates Z: 21 48.749 2.348 0.986 0.959 1.000 0.950 CB 1.603 21 residues pruned to eliminate duplicates Z: 64 48.949 2.103 1.073 0.570 0.937 0.714 CB 1.411 33 residues pruned to eliminate duplicates Z: 22 48.237 2.312 1.076 0.943 1.000 0.857 CB 1.520 22 residues pruned to eliminate duplicates Z: 59 56.626 2.261 1.181 0.531 0.948 0.690 CB 1.542 Z: 22 63.540 2.565 1.434 0.903 0.952 0.762 CB 1.662 22 residues pruned to eliminate duplicates Z: 20 64.603 2.483 1.388 0.962 1.000 0.947 CB 1.710 21 residues pruned to eliminate duplicates Z: 24 28.062 2.119 1.080 0.483 0.870 0.609 CB 1.554 24 residues pruned to eliminate duplicates Z: 72 57.616 2.229 0.957 0.615 0.901 0.690 CB 1.559 72 residues pruned to eliminate duplicates Z: 93 73.816 2.249 1.083 0.595 0.924 0.739 CB 1.624 93 residues pruned to eliminate duplicates Z: 11 22.431 2.304 0.481 0.824 1.000 0.900 CB 1.569 11 residues pruned to eliminate duplicates Z: 20 60.011 2.497 1.238 0.946 1.000 0.947 CB 1.703 20 residues pruned to eliminate duplicates Z: 22 61.818 2.577 1.312 0.917 0.952 0.905 CB 1.677 22 residues pruned to eliminate duplicates Z: 20 65.262 2.512 1.388 0.957 1.000 0.947 CB 1.714 20 residues pruned to eliminate duplicates Z: 42 35.044 2.113 1.059 0.525 0.902 0.707 CB 1.359 42 residues pruned to eliminate duplicates Z: 68 62.623 2.252 1.189 0.529 0.955 0.657 CB 1.579 59 residues pruned to eliminate duplicates Z: 23 37.394 2.277 1.069 0.555 0.955 0.500 CB 1.680 Z: 100 86.726 2.426 1.191 0.601 0.899 0.677 CB 1.656 100 residues pruned to eliminate duplicates Z: 21 54.540 2.453 1.137 0.940 1.000 1.000 CB 1.615 21 residues pruned to eliminate duplicates Z: 22 66.684 2.580 1.337 0.949 1.000 0.905 CB 1.666 22 residues pruned to eliminate duplicates Z: 102 91.684 2.392 1.179 0.606 0.950 0.733 CB 1.664 102 residues pruned to eliminate duplicates Z: 21 65.849 2.447 1.548 0.952 1.000 0.750 CB 1.626 20 residues pruned to eliminate duplicates Z: 64 45.656 2.085 1.031 0.569 0.905 0.698 CB 1.404 64 residues pruned to eliminate duplicates Z: 25 35.972 2.207 0.994 0.547 0.958 0.625 CB 1.662 25 residues pruned to eliminate duplicates Z: 21 46.599 2.325 0.908 0.956 1.000 0.950 CB 1.614 21 residues pruned to eliminate duplicates Z: 43 36.789 2.077 1.064 0.535 0.905 0.643 CB 1.414 43 residues pruned to eliminate duplicates Z: 98 66.881 2.204 1.038 0.579 0.918 0.680 CB 1.527 98 residues pruned to eliminate duplicates Z: 32 34.467 2.198 1.184 0.525 0.871 0.613 CB 1.444 32 residues pruned to eliminate duplicates Z: 29 34.714 2.040 0.858 0.650 0.964 0.714 CB 1.560 Z: 120 78.856 2.238 1.118 0.563 0.933 0.672 CB 1.538 111 residues pruned to eliminate duplicates Z: 85 76.722 2.294 1.157 0.635 0.929 0.786 CB 1.605 85 residues pruned to eliminate duplicates Z: 26 37.622 2.188 0.858 0.681 0.960 0.800 CB 1.632 28 residues pruned to eliminate duplicates Z: 47 43.173 2.076 0.893 0.588 0.978 0.717 CB 1.522 45 residues pruned to eliminate duplicates Z: 32 38.516 2.170 1.110 0.568 0.935 0.645 CB 1.511 32 residues pruned to eliminate duplicates Z: 44 42.067 2.159 1.147 0.532 0.884 0.698 CB 1.517 44 residues pruned to eliminate duplicates Z: 28 19.945 1.950 0.710 0.502 0.889 0.630 CB 1.292 28 residues pruned to eliminate duplicates Z: 40 48.558 2.311 1.212 0.571 0.897 0.744 CB 1.583 40 residues pruned to eliminate duplicates Z: 89 68.144 2.228 1.087 0.609 0.909 0.693 CB 1.549 88 residues pruned to eliminate duplicates Z: 104 77.979 2.261 1.170 0.582 0.951 0.699 CB 1.522 104 residues pruned to eliminate duplicates Z: 152 108.133 2.371 1.129 0.608 0.947 0.695 CB 1.661 152 residues pruned to eliminate duplicates Z: 26 27.611 2.110 0.834 0.514 0.920 0.560 CB 1.530 26 residues pruned to eliminate duplicates Z: 41 50.431 2.267 1.288 0.560 0.925 0.650 CB 1.568 41 residues pruned to eliminate duplicates Z: 70 65.418 2.295 0.979 0.590 0.942 0.797 CB 1.688 70 residues pruned to eliminate duplicates Z: 31 33.842 2.201 1.040 0.506 0.933 0.600 CB 1.466 31 residues pruned to eliminate duplicates Z: 24 32.676 1.981 0.819 0.920 0.957 0.826 CB 1.392 24 residues pruned to eliminate duplicates Z: 21 59.878 2.353 1.325 0.954 1.000 1.000 CB 1.684 26 residues pruned to eliminate duplicates Z: 21 57.989 2.447 1.243 0.949 1.000 1.000 CB 1.631 21 residues pruned to eliminate duplicates Z: 21 46.408 2.441 0.786 0.957 1.000 1.000 CB 1.634 21 residues pruned to eliminate duplicates Z: 153 102.000 2.327 1.165 0.600 0.921 0.684 CB 1.620 154 residues pruned to eliminate duplicates Z: 84 77.428 2.302 1.140 0.635 0.928 0.795 CB 1.639 84 residues pruned to eliminate duplicates Z: 93 75.119 2.275 1.193 0.586 0.924 0.717 CB 1.565 93 residues pruned to eliminate duplicates Z: 12 22.719 1.962 1.077 0.564 1.000 0.727 CB 1.580 12 residues pruned to eliminate duplicates Z: 20 59.935 2.453 1.300 0.947 1.000 0.895 CB 1.684 20 residues pruned to eliminate duplicates Z: 22 50.709 2.323 1.089 0.946 1.000 0.952 CB 1.576 22 residues pruned to eliminate duplicates Z: 99 95.985 2.441 1.288 0.615 0.939 0.765 CB 1.658 99 residues pruned to eliminate duplicates Z: 23 33.203 2.053 0.670 0.888 1.000 0.818 CB 1.488 23 residues pruned to eliminate duplicates Z: 56 43.433 2.076 0.847 0.556 0.945 0.727 CB 1.530 56 residues pruned to eliminate duplicates Z: 24 61.365 2.427 1.389 0.918 0.957 0.826 CB 1.627 24 residues pruned to eliminate duplicates Z: 26 31.794 2.078 1.040 0.538 0.960 0.640 CB 1.506 26 residues pruned to eliminate duplicates Z: 18 28.885 2.121 1.121 0.567 0.882 0.765 CB 1.655 18 residues pruned to eliminate duplicates Z: 75 63.056 2.213 1.075 0.616 0.946 0.689 CB 1.512 75 residues pruned to eliminate duplicates Z: 11 49.344 2.306 1.500 0.892 1.000 0.800 CA 1.944 11 residues pruned to eliminate duplicates Z: 27 23.179 1.951 0.897 0.605 0.923 0.654 CB 1.204 27 residues pruned to eliminate duplicates Z: 62 50.503 2.222 1.007 0.503 0.918 0.639 CB 1.575 62 residues pruned to eliminate duplicates Z: 22 53.204 2.315 1.225 0.958 1.000 0.905 CB 1.545 22 residues pruned to eliminate duplicates Z: 63 48.706 2.093 1.096 0.573 0.919 0.694 CB 1.430 64 residues pruned to eliminate duplicates Z: 10 26.965 2.238 1.072 0.729 0.889 0.889 CB 1.774 10 residues pruned to eliminate duplicates Z: 21 56.780 2.444 1.197 0.946 1.000 0.950 CB 1.635 21 residues pruned to eliminate duplicates Z: 11 17.625 2.016 1.061 0.436 1.000 0.400 CB 1.434 11 residues pruned to eliminate duplicates Z: 22 41.201 2.291 0.803 0.949 1.000 0.905 CB 1.502 22 residues pruned to eliminate duplicates Z: 63 45.128 2.106 1.008 0.545 0.903 0.710 CB 1.437 63 residues pruned to eliminate duplicates Z: 133 89.611 2.392 1.141 0.545 0.894 0.614 CB 1.631 133 residues pruned to eliminate duplicates Z: 100 91.779 2.417 1.236 0.586 0.949 0.697 CB 1.656 100 residues pruned to eliminate duplicates Z: 21 52.551 2.458 1.027 0.951 1.000 1.000 CB 1.625 21 residues pruned to eliminate duplicates Z: 16 29.712 1.981 0.850 0.859 1.000 0.933 CB 1.541 16 residues pruned to eliminate duplicates Z: 130 97.867 2.343 1.132 0.634 0.922 0.705 CB 1.649 130 residues pruned to eliminate duplicates Z: 80 56.310 2.128 1.106 0.544 0.937 0.722 CB 1.445 80 residues pruned to eliminate duplicates Z: 22 48.355 2.314 1.064 0.943 1.000 0.905 CB 1.531 22 residues pruned to eliminate duplicates Z: 67 74.619 2.441 1.052 0.614 0.955 0.773 CB 1.724 67 residues pruned to eliminate duplicates Z: 6 12.173 2.294 0.305 0.688 1.000 1.000 CA 1.530 6 residues pruned to eliminate duplicates Z: 7 12.106 2.013 0.669 0.754 0.833 0.500 CA 1.407 7 residues pruned to eliminate duplicates Z: 56 53.996 2.166 0.919 0.650 0.964 0.727 CB 1.582 56 residues pruned to eliminate duplicates Z: 41 36.998 2.183 1.056 0.439 0.900 0.625 CB 1.542 41 residues pruned to eliminate duplicates Z: 8 10.219 1.948 0.486 0.778 0.857 0.714 CA 1.218 8 residues pruned to eliminate duplicates Z: 15 18.283 1.997 0.902 0.576 0.857 0.571 CB 1.395 15 residues pruned to eliminate duplicates Z: 25 30.490 2.146 0.854 0.554 0.917 0.708 CB 1.618 25 residues pruned to eliminate duplicates Z: 22 45.833 2.305 1.004 0.940 1.000 0.857 CB 1.503 22 residues pruned to eliminate duplicates Z: 83 75.923 2.321 1.094 0.619 0.939 0.756 CB 1.642 83 residues pruned to eliminate duplicates Z: 84 72.783 2.301 1.083 0.628 0.904 0.699 CB 1.635 84 residues pruned to eliminate duplicates Z: 41 54.684 2.391 1.267 0.552 0.950 0.675 CB 1.595 41 residues pruned to eliminate duplicates Z: 71 67.738 2.387 1.142 0.571 0.900 0.643 CB 1.643 71 residues pruned to eliminate duplicates Z: 82 71.168 2.388 1.000 0.588 0.926 0.667 CB 1.643 82 residues pruned to eliminate duplicates Z: 69 74.385 2.421 1.130 0.599 0.941 0.676 CB 1.691 69 residues pruned to eliminate duplicates Z: 12 27.525 2.209 0.893 0.852 1.000 0.818 CB 1.467 12 residues pruned to eliminate duplicates Z: 21 48.615 2.354 0.951 0.952 1.000 1.000 CB 1.630 21 residues pruned to eliminate duplicates Z: 113 71.375 2.228 1.078 0.553 0.929 0.679 CB 1.490 113 residues pruned to eliminate duplicates Z: 18 33.090 2.355 1.201 0.600 0.882 0.706 CB 1.595 18 residues pruned to eliminate duplicates Z: 48 48.187 2.173 0.874 0.660 0.936 0.745 CB 1.590 48 residues pruned to eliminate duplicates Z: 63 43.858 2.103 0.935 0.570 0.919 0.758 CB 1.392 63 residues pruned to eliminate duplicates Z: 23 35.813 2.276 0.958 0.583 0.955 0.545 CB 1.657 23 residues pruned to eliminate duplicates Z: 15 31.024 2.083 0.968 0.888 1.000 0.786 CB 1.457 15 residues pruned to eliminate duplicates Z: 17 38.999 2.226 1.159 0.698 1.000 0.750 CB 1.693 17 residues pruned to eliminate duplicates Z: 22 40.544 2.387 0.747 0.939 1.000 0.905 CB 1.473 22 residues pruned to eliminate duplicates Z: 48 44.786 2.142 0.800 0.682 0.915 0.809 CB 1.567 48 residues pruned to eliminate duplicates Z: 29 31.441 2.048 0.732 0.647 0.964 0.786 CB 1.514 29 residues pruned to eliminate duplicates Z: 65 44.067 2.075 0.983 0.517 0.938 0.672 CB 1.404 65 residues pruned to eliminate duplicates Z: 40 40.195 2.088 1.154 0.572 0.897 0.718 CB 1.488 40 residues pruned to eliminate duplicates Z: 46 52.425 2.217 0.880 0.694 0.956 0.867 CB 1.643 46 residues pruned to eliminate duplicates Z: 8 15.371 1.739 0.861 0.880 1.000 0.714 CA 1.301 8 residues pruned to eliminate duplicates Z: 20 55.228 2.461 1.184 0.940 1.000 0.842 CB 1.636 20 residues pruned to eliminate duplicates Z: 22 33.555 2.078 0.660 0.925 1.000 0.905 CB 1.490 22 residues pruned to eliminate duplicates Z: 16 30.978 1.984 1.018 0.848 1.000 0.867 CB 1.482 16 residues pruned to eliminate duplicates Z: 18 17.285 1.836 0.689 0.522 0.882 0.529 CB 1.498 Z: 86 81.357 2.285 1.182 0.623 0.965 0.729 CB 1.633 86 residues pruned to eliminate duplicates Z: 16 27.833 1.993 0.754 0.896 1.000 0.733 CB 1.473 16 residues pruned to eliminate duplicates Z: 17 26.623 1.910 0.728 0.885 1.000 0.812 CB 1.456 17 residues pruned to eliminate duplicates Z: 39 47.713 2.297 1.196 0.547 0.895 0.737 CB 1.639 39 residues pruned to eliminate duplicates Z: 72 54.579 2.180 1.024 0.568 0.915 0.690 CB 1.502 72 residues pruned to eliminate duplicates Z: 100 88.845 2.424 1.113 0.596 0.960 0.657 CB 1.658 100 residues pruned to eliminate duplicates Z: 12 13.558 1.857 0.834 0.364 0.909 0.545 CB 1.529 12 residues pruned to eliminate duplicates Z: 22 56.223 2.315 1.338 0.938 1.000 0.857 CB 1.577 22 residues pruned to eliminate duplicates Z: 40 38.921 2.095 0.856 0.607 0.949 0.744 CB 1.526 40 residues pruned to eliminate duplicates Z: 21 18.416 2.110 0.904 0.362 0.850 0.550 CB 1.399 21 residues pruned to eliminate duplicates Z: 10 12.562 1.998 0.679 0.436 0.889 0.667 CA 1.501 10 residues pruned to eliminate duplicates Z: 16 26.127 1.980 0.745 0.882 1.000 0.933 CB 1.413 16 residues pruned to eliminate duplicates Z: 17 23.323 1.891 0.683 0.845 0.938 0.812 CB 1.453 17 residues pruned to eliminate duplicates Z: 86 67.815 2.366 0.981 0.557 0.918 0.612 CB 1.617 86 residues pruned to eliminate duplicates Z: 18 45.184 2.379 1.404 0.651 0.941 0.765 CB 1.769 18 residues pruned to eliminate duplicates Z: 24 33.010 2.190 1.006 0.526 0.957 0.478 CB 1.597 24 residues pruned to eliminate duplicates Z: 92 83.822 2.410 1.200 0.592 0.923 0.703 CB 1.644 92 residues pruned to eliminate duplicates Z: 8 15.081 1.853 0.898 0.862 1.000 0.714 CA 1.189 8 residues pruned to eliminate duplicates Z: 152 98.690 2.345 1.006 0.600 0.954 0.695 CB 1.628 152 residues pruned to eliminate duplicates Z: 51 49.225 2.151 1.253 0.596 0.900 0.660 CB 1.457 51 residues pruned to eliminate duplicates Z: 64 45.211 2.108 1.017 0.554 0.905 0.698 CB 1.405 64 residues pruned to eliminate duplicates Z: 22 35.002 2.108 0.610 0.915 1.000 0.952 CB 1.590 22 residues pruned to eliminate duplicates Z: 153 107.594 2.356 1.109 0.612 0.954 0.737 CB 1.656 153 residues pruned to eliminate duplicates Z: 6 8.684 1.782 0.229 0.804 1.000 0.800 CB 1.360 6 residues pruned to eliminate duplicates Z: 58 46.047 2.186 0.947 0.578 0.912 0.649 CB 1.456 58 residues pruned to eliminate duplicates Z: 23 21.269 2.034 0.965 0.440 0.864 0.636 CB 1.398 23 residues pruned to eliminate duplicates Z: 29 37.821 2.205 0.699 0.758 0.964 0.857 CB 1.574 29 residues pruned to eliminate duplicates Z: 21 63.969 2.449 1.466 0.955 1.000 1.000 CB 1.628 21 residues pruned to eliminate duplicates Z: 22 33.633 2.083 0.596 0.899 1.000 0.857 CB 1.577 22 residues pruned to eliminate duplicates Z: 57 46.802 2.143 0.907 0.620 0.893 0.696 CB 1.530 57 residues pruned to eliminate duplicates Z: 55 33.907 1.992 0.817 0.509 0.926 0.648 CB 1.365 55 residues pruned to eliminate duplicates Z: 100 87.076 2.404 1.168 0.603 0.919 0.727 CB 1.657 100 residues pruned to eliminate duplicates Z: 154 104.282 2.338 1.066 0.617 0.954 0.706 CB 1.638 154 residues pruned to eliminate duplicates Z: 6 9.944 1.856 0.267 0.744 1.000 0.800 N 1.521 6 residues pruned to eliminate duplicates Z: 31 35.302 2.238 1.036 0.535 0.867 0.767 CB 1.577 31 residues pruned to eliminate duplicates Z: 57 49.784 2.229 0.922 0.643 0.929 0.750 CB 1.463 57 residues pruned to eliminate duplicates Z: 99 92.917 2.441 1.152 0.600 0.959 0.684 CB 1.693 99 residues pruned to eliminate duplicates Z: 110 78.176 2.255 1.132 0.580 0.936 0.771 CB 1.541 110 residues pruned to eliminate duplicates Z: 108 92.204 2.423 1.163 0.589 0.944 0.682 CB 1.654 108 residues pruned to eliminate duplicates Z: 6 2.624 1.709 0.116 0.470 1.000 0.800 CB 0.634 Z: 24 34.718 2.196 0.889 0.583 0.957 0.652 CB 1.685 24 residues pruned to eliminate duplicates Z: 8 11.339 1.705 0.691 0.901 0.857 0.429 CA 1.237 8 residues pruned to eliminate duplicates Z: 23 34.053 1.971 0.860 0.902 1.000 0.909 CB 1.413 23 residues pruned to eliminate duplicates Z: 21 19.410 1.943 0.912 0.483 0.850 0.650 CB 1.398 21 residues pruned to eliminate duplicates Z: 21 59.346 2.356 1.372 0.964 1.000 0.950 CB 1.622 21 residues pruned to eliminate duplicates Z: 101 88.175 2.399 1.173 0.594 0.940 0.710 CB 1.645 101 residues pruned to eliminate duplicates Z: 9 16.748 2.299 0.908 0.421 1.000 0.875 CB 1.465 9 residues pruned to eliminate duplicates Z: 64 40.149 2.075 0.883 0.512 0.905 0.651 CB 1.414 64 residues pruned to eliminate duplicates Z: 97 48.304 1.991 0.902 0.551 0.917 0.625 CB 1.351 80 residues pruned to eliminate duplicates Z: 18 13.381 1.758 0.493 0.508 0.824 0.471 CB 1.489 18 residues pruned to eliminate duplicates Z: 54 44.295 2.198 1.172 0.529 0.925 0.736 CB 1.340 54 residues pruned to eliminate duplicates Z: 20 30.694 2.128 0.538 0.887 1.000 0.789 CB 1.551 20 residues pruned to eliminate duplicates Z: 21 34.591 2.137 0.649 0.917 1.000 0.900 CB 1.549 21 residues pruned to eliminate duplicates Z: 12 43.478 2.263 1.271 0.925 1.000 0.909 CB 1.790 12 residues pruned to eliminate duplicates Z: 100 73.966 2.261 1.086 0.586 0.909 0.636 CB 1.597 100 residues pruned to eliminate duplicates Z: 111 74.468 2.257 1.027 0.558 0.945 0.600 CB 1.552 111 residues pruned to eliminate duplicates Z: 26 25.164 2.094 0.816 0.514 0.880 0.520 CB 1.484 26 residues pruned to eliminate duplicates Z: 7 6.178 2.437 0.430 0.787 0.667 0.333 CB 0.844 7 residues pruned to eliminate duplicates Z: 119 98.129 2.411 1.253 0.583 0.932 0.737 CB 1.647 119 residues pruned to eliminate duplicates Z: 112 73.744 2.256 1.030 0.569 0.919 0.703 CB 1.556 112 residues pruned to eliminate duplicates Z: 24 34.398 2.238 0.956 0.520 0.913 0.609 CB 1.759 24 residues pruned to eliminate duplicates Z: 49 43.541 2.172 0.985 0.514 0.917 0.625 CB 1.568 49 residues pruned to eliminate duplicates Z: 46 47.264 2.206 0.968 0.637 0.933 0.689 CB 1.529 46 residues pruned to eliminate duplicates Z: 23 32.018 1.985 0.727 0.878 0.955 0.682 CB 1.513 23 residues pruned to eliminate duplicates Z: 70 55.616 2.230 1.141 0.540 0.884 0.681 CB 1.525 70 residues pruned to eliminate duplicates Z: 20 15.627 1.733 0.664 0.521 0.895 0.474 CB 1.360 20 residues pruned to eliminate duplicates Z: 31 38.927 2.201 1.082 0.621 0.933 0.700 CB 1.482 31 residues pruned to eliminate duplicates Z: 32 29.348 1.959 0.899 0.610 0.968 0.677 CB 1.319 32 residues pruned to eliminate duplicates Z: 38 29.240 2.132 0.940 0.408 0.865 0.459 CB 1.480 38 residues pruned to eliminate duplicates Z: 48 50.278 2.156 0.805 0.734 0.957 0.851 CB 1.595 48 residues pruned to eliminate duplicates Z: 33 27.016 1.959 0.867 0.556 0.938 0.656 CB 1.319 33 residues pruned to eliminate duplicates Z: 45 35.831 2.040 0.918 0.570 0.909 0.750 CB 1.419 45 residues pruned to eliminate duplicates Z: 12 28.165 2.055 0.935 0.878 1.000 0.818 CA 1.550 12 residues pruned to eliminate duplicates Z: 84 80.648 2.304 1.128 0.650 0.964 0.747 CB 1.629 84 residues pruned to eliminate duplicates Z: 60 42.975 2.103 1.024 0.519 0.915 0.712 CB 1.410 60 residues pruned to eliminate duplicates Z: 73 51.257 2.179 1.026 0.481 0.903 0.611 CB 1.545 73 residues pruned to eliminate duplicates Z: 43 38.448 2.110 1.021 0.534 0.929 0.714 CB 1.449 43 residues pruned to eliminate duplicates Z: 109 94.025 2.429 1.135 0.581 0.963 0.685 CB 1.676 109 residues pruned to eliminate duplicates Z: 53 44.454 2.196 1.081 0.521 0.923 0.673 CB 1.431 53 residues pruned to eliminate duplicates Z: 48 45.559 2.203 0.967 0.560 0.957 0.638 CB 1.511 48 residues pruned to eliminate duplicates Z: 24 33.001 1.982 0.770 0.913 1.000 0.870 CB 1.389 24 residues pruned to eliminate duplicates Z: 67 74.584 2.431 1.057 0.614 0.970 0.682 CB 1.700 67 residues pruned to eliminate duplicates Z: 17 14.673 1.587 0.617 0.892 0.938 0.688 CB 1.096 17 residues pruned to eliminate duplicates Z: 68 59.933 2.244 1.088 0.593 0.940 0.701 CB 1.520 68 residues pruned to eliminate duplicates Z: 86 71.517 2.388 1.018 0.570 0.918 0.624 CB 1.640 86 residues pruned to eliminate duplicates Z: 8 5.093 1.738 -0.097 0.490 0.857 0.571 C 1.445 Z: 20 21.837 2.156 0.845 0.492 0.895 0.684 CB 1.420 20 residues pruned to eliminate duplicates Z: 103 81.040 2.327 1.108 0.590 0.922 0.657 CB 1.627 103 residues pruned to eliminate duplicates Z: 17 27.571 1.917 0.785 0.868 1.000 0.938 CB 1.472 17 residues pruned to eliminate duplicates Z: 17 14.539 1.592 0.568 0.890 0.938 0.750 CB 1.117 17 residues pruned to eliminate duplicates Z: 16 12.417 1.776 0.845 0.393 0.867 0.467 CB 1.264 16 residues pruned to eliminate duplicates Z: 106 94.567 2.421 1.192 0.609 0.943 0.724 CB 1.663 106 residues pruned to eliminate duplicates Z: 73 62.232 2.245 1.051 0.630 0.931 0.708 CB 1.514 70 residues pruned to eliminate duplicates Z: 9 32.373 2.285 1.711 0.630 0.875 0.625 CA 1.870 9 residues pruned to eliminate duplicates Z: 26 40.625 2.197 0.854 0.732 1.000 0.760 CB 1.619 26 residues pruned to eliminate duplicates Z: 26 19.769 1.937 0.831 0.528 0.840 0.680 CB 1.291 26 residues pruned to eliminate duplicates Z: 12 6.183 1.705 0.177 0.323 0.909 0.545 CA 1.243 12 residues pruned to eliminate duplicates Z: 6 6.516 1.911 0.638 0.697 1.000 0.800 CB 0.778 Z: 51 39.570 2.082 0.909 0.544 0.960 0.640 CB 1.404 51 residues pruned to eliminate duplicates Z: 29 30.296 1.990 0.879 0.720 0.929 0.821 CB 1.352 29 residues pruned to eliminate duplicates 6 1.753 1.529 0.691 0.438 0.600 0.400 CB 0.539 ? Z: 26 23.273 1.995 0.873 0.586 0.880 0.720 CB 1.303 26 residues pruned to eliminate duplicates Z: 13 11.731 1.779 0.674 0.584 0.917 0.583 CB 1.144 13 residues pruned to eliminate duplicates Z: 7 5.736 1.643 0.700 0.307 1.000 0.500 O 1.039 7 residues pruned to eliminate duplicates Z: 24 32.272 2.141 0.951 0.562 0.957 0.565 CB 1.585 24 residues pruned to eliminate duplicates Z: 17 15.454 1.619 0.498 0.906 1.000 0.750 CB 1.133 17 residues pruned to eliminate duplicates Z: 77 50.397 2.078 0.958 0.543 0.947 0.605 CB 1.437 77 residues pruned to eliminate duplicates Z: 113 75.949 2.237 1.094 0.579 0.920 0.670 CB 1.544 113 residues pruned to eliminate duplicates Z: 28 36.398 2.086 0.815 0.720 0.963 0.741 CB 1.575 28 residues pruned to eliminate duplicates Z: 23 22.416 1.851 0.688 0.727 0.955 0.727 CB 1.305 23 residues pruned to eliminate duplicates Z: 14 16.872 1.885 0.965 0.546 1.000 0.692 CB 1.208 14 residues pruned to eliminate duplicates Z: 76 60.826 2.189 0.985 0.622 0.947 0.707 CB 1.523 76 residues pruned to eliminate duplicates Z: 6 8.218 1.797 0.047 0.835 1.000 1.000 CB 1.463 Z: 86 62.206 2.236 0.929 0.563 0.953 0.671 CB 1.544 86 residues pruned to eliminate duplicates Z: 50 57.680 2.360 1.312 0.516 0.939 0.653 CB 1.584 50 residues pruned to eliminate duplicates Z: 23 34.415 2.042 0.745 0.916 1.000 0.864 CB 1.453 23 residues pruned to eliminate duplicates Z: 39 51.598 2.353 1.276 0.546 0.921 0.711 CB 1.622 39 residues pruned to eliminate duplicates Z: 35 28.689 2.290 0.855 0.361 0.853 0.559 CB 1.578 35 residues pruned to eliminate duplicates Z: 86 74.509 2.264 1.112 0.630 0.953 0.718 CB 1.569 86 residues pruned to eliminate duplicates Z: 9 8.469 1.554 0.865 0.690 0.750 0.500 N 1.158 9 residues pruned to eliminate duplicates Z: 84 79.152 2.291 1.179 0.640 0.952 0.747 CB 1.605 84 residues pruned to eliminate duplicates Z: 6 4.428 1.916 0.411 0.540 0.600 0.400 CB 1.174 Z: 6 3.363 1.929 0.380 0.537 0.800 0.600 CB 0.681 Z: 31 22.007 1.976 0.699 0.468 0.867 0.633 CB 1.426 31 residues pruned to eliminate duplicates Z: 11 10.552 1.442 0.704 0.683 1.000 0.500 N 1.148 11 residues pruned to eliminate duplicates Z: 53 36.435 2.042 0.920 0.516 0.904 0.577 CB 1.404 53 residues pruned to eliminate duplicates Z: 17 26.943 2.188 1.001 0.727 1.000 0.812 CB 1.253 17 residues pruned to eliminate duplicates Z: 20 17.598 1.902 0.788 0.486 0.842 0.579 CB 1.430 20 residues pruned to eliminate duplicates Z: 82 62.513 2.205 1.045 0.580 0.951 0.704 CB 1.501 82 residues pruned to eliminate duplicates Z: 42 34.498 2.068 0.764 0.622 0.902 0.732 CB 1.459 42 residues pruned to eliminate duplicates Z: 18 23.072 2.059 1.067 0.565 0.765 0.706 CB 1.615 18 residues pruned to eliminate duplicates Z: 27 37.017 2.115 0.800 0.714 1.000 0.808 CB 1.571 27 residues pruned to eliminate duplicates Z: 20 19.276 2.132 0.684 0.403 0.895 0.526 CB 1.525 20 residues pruned to eliminate duplicates Z: 44 70.674 2.494 1.303 0.654 0.977 0.814 CB 1.665 44 residues pruned to eliminate duplicates Z: 64 46.339 2.090 0.966 0.548 0.952 0.746 CB 1.424 64 residues pruned to eliminate duplicates Z: 6 8.403 1.606 0.319 0.834 1.000 1.000 CA 1.330 6 residues pruned to eliminate duplicates Z: 68 66.747 2.411 1.057 0.589 0.910 0.657 CB 1.658 68 residues pruned to eliminate duplicates Z: 17 15.654 1.620 0.544 0.903 1.000 0.875 CB 1.116 17 residues pruned to eliminate duplicates Z: 74 63.663 2.220 0.987 0.624 0.959 0.658 CB 1.568 74 residues pruned to eliminate duplicates Z: 7 5.017 1.758 -0.186 0.806 1.000 0.833 CB 1.096 7 residues pruned to eliminate duplicates Z: 41 52.019 2.375 1.141 0.611 0.925 0.700 CB 1.574 41 residues pruned to eliminate duplicates Z: 82 72.981 2.411 1.064 0.598 0.914 0.667 CB 1.624 82 residues pruned to eliminate duplicates Z: 15 19.558 2.137 1.017 0.453 0.857 0.500 CB 1.484 15 residues pruned to eliminate duplicates Z: 130 101.865 2.352 1.133 0.630 0.953 0.729 CB 1.660 130 residues pruned to eliminate duplicates Z: 29 35.104 2.025 0.879 0.685 0.964 0.714 CB 1.526 29 residues pruned to eliminate duplicates Z: 28 31.969 2.089 0.707 0.665 0.963 0.778 CB 1.539 28 residues pruned to eliminate duplicates Z: 54 39.188 2.051 1.071 0.522 0.887 0.623 CB 1.398 54 residues pruned to eliminate duplicates Z: 22 63.664 2.536 1.238 0.952 1.000 0.810 CB 1.685 22 residues pruned to eliminate duplicates Z: 7 8.215 1.745 0.016 0.814 1.000 0.667 CB 1.440 Z: 64 44.553 2.101 0.969 0.537 0.937 0.698 CB 1.397 64 residues pruned to eliminate duplicates Z: 17 43.405 2.338 1.477 0.664 0.938 0.688 CB 1.717 17 residues pruned to eliminate duplicates Z: 59 55.598 2.224 1.107 0.612 0.931 0.603 CB 1.505 59 residues pruned to eliminate duplicates Z: 40 49.909 2.332 1.372 0.527 0.923 0.667 CB 1.524 40 residues pruned to eliminate duplicates Z: 6 5.000 1.633 -0.183 0.801 1.000 0.800 CB 1.288 6 residues pruned to eliminate duplicates Z: 13 23.484 1.971 0.982 0.906 0.917 0.833 CB 1.347 13 residues pruned to eliminate duplicates Z: 22 61.722 2.549 1.161 0.946 1.000 0.905 CB 1.691 22 residues pruned to eliminate duplicates Z: 13 21.412 2.057 0.730 0.705 1.000 0.750 CB 1.442 13 residues pruned to eliminate duplicates Z: 40 40.433 2.159 1.084 0.569 0.923 0.769 CB 1.458 40 residues pruned to eliminate duplicates Z: 65 38.546 2.026 0.905 0.483 0.922 0.656 CB 1.378 65 residues pruned to eliminate duplicates Z: 17 15.506 1.628 0.467 0.915 1.000 0.938 CB 1.147 17 residues pruned to eliminate duplicates Z: 26 24.976 2.038 0.872 0.583 0.920 0.720 CB 1.314 26 residues pruned to eliminate duplicates Z: 20 17.725 1.761 0.853 0.532 0.895 0.684 CB 1.350 20 residues pruned to eliminate duplicates Z: 18 30.443 2.285 0.890 0.567 0.941 0.647 CB 1.702 18 residues pruned to eliminate duplicates Z: 15 22.860 2.071 0.710 0.854 0.929 0.857 CB 1.372 15 residues pruned to eliminate duplicates Z: 15 22.950 2.197 1.137 0.470 0.929 0.500 CB 1.450 15 residues pruned to eliminate duplicates Z: 16 12.677 1.791 0.844 0.433 0.800 0.600 CB 1.328 16 residues pruned to eliminate duplicates Z: 7 2.584 1.650 -0.196 0.564 0.667 0.667 O 1.121 7 residues pruned to eliminate duplicates Z: 18 16.392 1.830 0.731 0.542 0.824 0.588 CB 1.462 18 residues pruned to eliminate duplicates Z: 82 57.130 2.318 1.070 0.456 0.889 0.630 CB 1.557 82 residues pruned to eliminate duplicates Z: 7 6.237 1.636 0.039 0.812 1.000 0.667 C 1.142 7 residues pruned to eliminate duplicates Z: 98 77.262 2.292 1.088 0.586 0.918 0.711 CB 1.645 98 residues pruned to eliminate duplicates Z: 40 36.562 2.077 1.031 0.552 0.949 0.744 CB 1.391 40 residues pruned to eliminate duplicates Z: 6 7.719 1.572 0.749 0.629 1.000 0.600 CB 1.112 Z: 66 75.354 2.443 1.072 0.614 0.954 0.692 CB 1.737 66 residues pruned to eliminate duplicates Z: 86 58.619 2.179 1.111 0.539 0.929 0.600 CB 1.431 86 residues pruned to eliminate duplicates Z: 70 72.839 2.282 1.090 0.651 0.957 0.739 CB 1.669 70 residues pruned to eliminate duplicates Z: 17 25.353 1.957 0.869 0.762 0.938 0.812 CB 1.465 17 residues pruned to eliminate duplicates Z: 27 39.229 2.171 0.794 0.729 1.000 0.808 CB 1.607 27 residues pruned to eliminate duplicates 6 1.718 1.505 -0.112 0.384 0.600 0.400 CB 1.084 ? Z: 69 70.025 2.417 1.093 0.610 0.912 0.706 CB 1.658 69 residues pruned to eliminate duplicates Z: 7 12.106 1.816 0.871 0.797 0.833 0.500 CB 1.345 7 residues pruned to eliminate duplicates Z: 88 63.897 2.223 1.057 0.566 0.943 0.621 CB 1.490 88 residues pruned to eliminate duplicates Z: 21 21.466 2.020 0.857 0.507 0.900 0.600 CB 1.412 21 residues pruned to eliminate duplicates Z: 35 42.951 2.337 0.990 0.568 0.971 0.706 CB 1.528 35 residues pruned to eliminate duplicates Z: 63 41.591 2.088 0.931 0.523 0.919 0.677 CB 1.392 63 residues pruned to eliminate duplicates Z: 28 32.650 2.094 0.721 0.701 0.963 0.741 CB 1.508 28 residues pruned to eliminate duplicates Z: 24 37.313 2.034 0.690 0.883 1.000 0.870 CB 1.636 24 residues pruned to eliminate duplicates Z: 27 27.679 2.088 0.880 0.491 0.923 0.615 CB 1.512 27 residues pruned to eliminate duplicates Z: 27 39.572 2.169 0.774 0.736 1.000 0.846 CB 1.631 27 residues pruned to eliminate duplicates Z: 39 33.090 2.082 0.925 0.521 0.921 0.605 CB 1.425 39 residues pruned to eliminate duplicates Z: 20 29.203 2.029 0.609 0.902 0.947 0.737 CB 1.545 20 residues pruned to eliminate duplicates Z: 17 21.221 1.933 0.663 0.604 1.000 0.688 CB 1.494 17 residues pruned to eliminate duplicates Z: 118 83.213 2.313 0.987 0.577 0.940 0.726 CB 1.653 118 residues pruned to eliminate duplicates Z: 10 15.364 1.974 1.004 0.658 1.000 0.556 CB 1.118 10 residues pruned to eliminate duplicates Z: 107 64.805 2.156 0.916 0.586 0.953 0.708 CB 1.473 107 residues pruned to eliminate duplicates Z: 16 45.195 2.307 1.441 0.771 1.000 0.867 CB 1.630 16 residues pruned to eliminate duplicates Z: 33 46.383 2.232 1.178 0.616 0.906 0.750 CB 1.667 33 residues pruned to eliminate duplicates Z: 40 39.367 2.159 1.076 0.516 0.949 0.795 CB 1.460 40 residues pruned to eliminate duplicates Z: 30 24.854 1.968 0.749 0.540 0.931 0.621 CB 1.385 30 residues pruned to eliminate duplicates Z: 51 40.086 2.120 1.004 0.529 0.900 0.680 CB 1.441 51 residues pruned to eliminate duplicates Z: 16 15.538 1.647 0.504 0.910 1.000 1.000 CB 1.149 16 residues pruned to eliminate duplicates Z: 8 5.793 1.468 0.444 0.846 1.000 0.857 CB 0.767 8 residues pruned to eliminate duplicates Z: 8 8.375 1.373 0.682 0.830 1.000 0.429 CA 1.030 8 residues pruned to eliminate duplicates Z: 21 31.203 2.304 0.919 0.487 0.950 0.600 CB 1.683 21 residues pruned to eliminate duplicates Z: 9 11.977 1.832 0.747 0.670 1.000 0.875 CB 1.131 Z: 10 6.033 1.723 0.417 0.480 0.778 0.667 CB 1.080 10 residues pruned to eliminate duplicates Z: 26 20.876 1.908 0.875 0.564 0.840 0.680 CB 1.305 26 residues pruned to eliminate duplicates Z: 58 47.569 2.258 1.238 0.508 0.860 0.632 CB 1.439 58 residues pruned to eliminate duplicates Z: 59 53.602 2.184 1.031 0.618 0.948 0.690 CB 1.496 59 residues pruned to eliminate duplicates Z: 10 5.356 1.613 -0.199 0.679 0.889 0.889 CB 1.318 Z: 13 35.773 2.147 1.173 0.920 1.000 0.833 CB 1.559 13 residues pruned to eliminate duplicates Z: 25 32.898 2.207 0.974 0.522 0.917 0.583 CB 1.645 25 residues pruned to eliminate duplicates Z: 16 25.043 1.987 0.599 0.867 1.000 0.867 CA 1.489 16 residues pruned to eliminate duplicates Z: 49 49.613 2.150 0.878 0.697 0.938 0.750 CB 1.581 49 residues pruned to eliminate duplicates Z: 7 7.958 1.797 1.168 0.488 0.833 0.667 CA 1.012 7 residues pruned to eliminate duplicates Z: 7 2.971 1.621 0.228 0.273 0.667 0.500 CB 1.183 7 residues pruned to eliminate duplicates Z: 11 17.805 2.070 0.579 0.591 1.000 0.700 CB 1.579 11 residues pruned to eliminate duplicates Z: 21 21.386 2.078 1.043 0.315 0.900 0.450 CB 1.536 21 residues pruned to eliminate duplicates Z: 9 6.157 1.857 0.567 0.484 0.875 0.750 CB 0.869 6 residues pruned to eliminate duplicates Z: 22 19.928 1.968 1.010 0.457 0.810 0.571 CB 1.420 22 residues pruned to eliminate duplicates Z: 10 14.700 2.007 1.006 0.392 0.889 0.444 CB 1.535 10 residues pruned to eliminate duplicates Z: 16 19.906 1.937 0.677 0.606 1.000 0.667 CB 1.431 16 residues pruned to eliminate duplicates Z: 28 43.659 2.224 0.885 0.835 0.963 0.852 CB 1.559 27 residues pruned to eliminate duplicates Z: 21 38.519 2.134 0.854 0.935 1.000 0.850 CB 1.517 21 residues pruned to eliminate duplicates Z: 84 65.957 2.236 1.120 0.597 0.940 0.699 CB 1.481 84 residues pruned to eliminate duplicates Z: 21 54.997 2.314 1.438 0.943 1.000 0.900 CB 1.511 21 residues pruned to eliminate duplicates 7 1.571 1.360 0.392 0.335 0.667 0.167 CB 0.609 ? Z: 23 38.560 2.041 0.958 0.919 1.000 0.818 CB 1.450 23 residues pruned to eliminate duplicates Z: 17 14.958 1.619 0.421 0.907 1.000 0.938 CB 1.155 17 residues pruned to eliminate duplicates Z: 34 39.542 2.126 1.125 0.680 0.909 0.788 CB 1.420 34 residues pruned to eliminate duplicates Z: 23 43.706 2.072 1.022 0.878 1.000 0.818 CB 1.614 23 residues pruned to eliminate duplicates Z: 57 47.153 2.247 1.041 0.491 0.929 0.643 CB 1.493 57 residues pruned to eliminate duplicates Z: 59 52.761 2.283 1.144 0.502 0.897 0.672 CB 1.575 59 residues pruned to eliminate duplicates Z: 48 48.693 2.180 1.070 0.627 0.957 0.681 CB 1.459 48 residues pruned to eliminate duplicates Z: 81 46.901 2.029 0.925 0.543 0.913 0.637 CB 1.410 81 residues pruned to eliminate duplicates Z: 17 25.744 1.937 0.731 0.923 1.000 0.875 CB 1.349 17 residues pruned to eliminate duplicates Z: 22 40.060 2.055 1.019 0.912 1.000 0.857 CB 1.492 22 residues pruned to eliminate duplicates Z: 10 8.049 2.028 0.473 0.576 1.000 0.889 CB 0.835 10 residues pruned to eliminate duplicates Z: 36 39.844 2.085 0.729 0.766 0.971 0.800 CB 1.519 36 residues pruned to eliminate duplicates 6 0.557 1.546 0.108 0.433 0.800 0.600 CB 0.195 ? Z: 21 24.328 2.145 0.868 0.537 0.850 0.700 CB 1.540 21 residues pruned to eliminate duplicates Z: 28 24.028 2.014 0.712 0.575 0.889 0.704 CB 1.404 28 residues pruned to eliminate duplicates Z: 32 41.819 2.205 1.061 0.718 0.903 0.742 CB 1.502 32 residues pruned to eliminate duplicates Z: 7 5.935 1.730 0.279 0.505 0.833 0.667 CB 1.307 9 residues pruned to eliminate duplicates Z: 37 27.472 2.074 0.859 0.498 0.917 0.722 CB 1.299 37 residues pruned to eliminate duplicates Z: 54 40.847 2.086 1.010 0.499 0.906 0.623 CB 1.479 54 residues pruned to eliminate duplicates Z: 17 20.222 2.081 0.834 0.515 0.875 0.688 CA 1.492 17 residues pruned to eliminate duplicates Z: 7 5.497 1.632 0.328 0.386 0.833 0.500 O 1.402 Z: 12 19.643 2.228 0.905 0.674 0.909 0.818 CB 1.307 12 residues pruned to eliminate duplicates Z: 49 37.138 2.092 1.000 0.515 0.896 0.583 CB 1.409 49 residues pruned to eliminate duplicates 6 0.735 1.627 0.167 0.271 0.600 0.600 CB 0.374 ? Z: 48 41.855 2.218 1.074 0.491 0.915 0.574 CB 1.465 48 residues pruned to eliminate duplicates Z: 32 32.175 2.179 1.129 0.471 0.871 0.613 CB 1.474 32 residues pruned to eliminate duplicates Z: 153 107.952 2.359 1.087 0.618 0.954 0.730 CB 1.668 153 residues pruned to eliminate duplicates Z: 45 42.137 2.179 1.025 0.606 0.909 0.614 CB 1.432 45 residues pruned to eliminate duplicates Z: 20 64.801 2.501 1.425 0.937 1.000 0.895 CB 1.706 20 residues pruned to eliminate duplicates Z: 17 14.030 1.616 0.423 0.896 1.000 0.812 CB 1.093 17 residues pruned to eliminate duplicates 6 1.401 1.443 -0.078 0.470 0.800 0.400 CB 0.607 ? Z: 127 94.014 2.381 1.157 0.564 0.944 0.690 CB 1.623 127 residues pruned to eliminate duplicates Z: 19 37.470 2.284 1.117 0.798 0.944 0.944 CB 1.490 19 residues pruned to eliminate duplicates Z: 15 23.199 1.983 0.904 0.625 1.000 0.786 CB 1.459 15 residues pruned to eliminate duplicates Z: 7 4.450 1.784 0.855 0.246 0.667 0.333 C 1.104 7 residues pruned to eliminate duplicates Z: 12 15.453 1.736 0.754 0.626 1.000 0.545 CA 1.358 12 residues pruned to eliminate duplicates Z: 8 10.171 1.445 0.765 0.685 1.000 1.000 CA 1.271 8 residues pruned to eliminate duplicates Z: 52 41.725 2.195 0.992 0.491 0.922 0.725 CB 1.463 52 residues pruned to eliminate duplicates 442 residues left after pruning, divided into chains as follows: A: 302 B: 18 C: 122 CC for partial structure against native data = 45.44 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.551, Connect. = 0.788 for dens.mod. cycle 1 = 0.300, Contrast = 0.631, Connect. = 0.811 for dens.mod. cycle 2 = 0.300, Contrast = 0.755, Connect. = 0.831 for dens.mod. cycle 3 = 0.300, Contrast = 0.769, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.784, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.790, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.797, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.800, Connect. = 0.836 for dens.mod. cycle 8 = 0.300, Contrast = 0.803, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.804, Connect. = 0.837 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2290 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 530 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 63.107 2.604 1.108 0.936 1.000 0.905 CB 1.746 B: 22 55.709 2.663 0.802 0.921 1.000 0.905 CB 1.783 22 residues pruned to eliminate duplicates C: 22 55.397 2.643 0.944 0.910 0.952 0.905 CB 1.752 22 residues pruned to eliminate duplicates D: 22 63.085 2.648 1.054 0.947 1.000 0.857 CB 1.749 22 residues pruned to eliminate duplicates E: 22 52.646 2.649 0.937 0.905 0.905 0.810 CB 1.761 22 residues pruned to eliminate duplicates F: 21 38.128 2.215 0.598 0.928 1.000 0.850 CB 1.686 G: 23 33.392 2.091 0.539 0.906 1.000 0.818 CB 1.574 22 residues pruned to eliminate duplicates H: 22 64.179 2.640 1.292 0.905 0.952 0.857 CB 1.729 22 residues pruned to eliminate duplicates I: 20 75.569 2.756 1.248 0.962 1.000 0.947 CB 1.913 22 residues pruned to eliminate duplicates J: 22 67.554 2.659 1.145 0.941 1.000 0.952 CB 1.794 22 residues pruned to eliminate duplicates K: 22 58.740 2.639 0.920 0.942 1.000 0.905 CB 1.754 22 residues pruned to eliminate duplicates L: 21 59.640 2.507 1.159 0.958 1.000 0.950 CB 1.689 M: 22 55.346 2.655 0.737 0.933 1.000 0.952 CB 1.827 20 residues pruned to eliminate duplicates N: 22 46.456 2.354 0.826 0.948 1.000 0.905 CB 1.629 O: 22 51.721 2.649 0.642 0.944 1.000 0.905 CB 1.797 22 residues pruned to eliminate duplicates P: 22 60.257 2.661 0.897 0.947 1.000 0.905 CB 1.800 22 residues pruned to eliminate duplicates Q: 22 45.809 2.328 0.820 0.953 1.000 0.857 CB 1.624 22 residues pruned to eliminate duplicates R: 22 61.549 2.635 1.093 0.940 0.952 0.810 CB 1.776 22 residues pruned to eliminate duplicates S: 21 51.018 2.390 0.824 0.946 1.000 1.000 CB 1.810 21 residues pruned to eliminate duplicates T: 22 52.015 2.335 1.102 0.923 1.000 0.810 CB 1.625 22 residues pruned to eliminate duplicates U: 22 32.946 2.151 0.456 0.911 1.000 0.857 CB 1.627 23 residues pruned to eliminate duplicates V: 22 47.949 2.334 0.926 0.927 1.000 0.857 CB 1.631 22 residues pruned to eliminate duplicates W: 21 49.601 2.373 0.885 0.924 1.000 1.000 CB 1.741 21 residues pruned to eliminate duplicates X: 63 46.633 2.172 0.909 0.538 0.935 0.645 CB 1.471 Y: 22 64.925 2.649 1.068 0.934 1.000 0.714 CB 1.804 22 residues pruned to eliminate duplicates Z: 21 52.222 2.366 1.005 0.917 1.000 0.950 CB 1.738 22 residues pruned to eliminate duplicates Z: 21 34.191 2.188 0.471 0.924 1.000 0.850 CB 1.668 21 residues pruned to eliminate duplicates Z: 57 62.879 2.437 1.217 0.545 0.875 0.643 CB 1.700 Z: 17 21.212 2.131 1.010 0.514 0.812 0.562 CB 1.502 5 residues pruned to eliminate duplicates Z: 21 52.335 2.372 0.987 0.912 1.000 0.950 CB 1.759 21 residues pruned to eliminate duplicates Z: 22 47.743 2.345 0.890 0.944 1.000 0.905 CB 1.628 22 residues pruned to eliminate duplicates Z: 57 59.241 2.424 0.867 0.575 0.946 0.661 CB 1.719 36 residues pruned to eliminate duplicates Z: 23 69.132 2.619 1.253 0.922 0.955 0.864 CB 1.841 22 residues pruned to eliminate duplicates Z: 21 65.258 2.516 1.325 0.943 1.000 0.800 CB 1.729 21 residues pruned to eliminate duplicates Z: 20 62.706 2.456 1.357 0.926 1.000 0.789 CB 1.742 20 residues pruned to eliminate duplicates Z: 20 63.400 2.541 1.175 0.945 1.000 0.526 CB 1.821 20 residues pruned to eliminate duplicates Z: 22 33.865 2.385 1.103 0.534 0.952 0.762 CB 1.496 22 residues pruned to eliminate duplicates Z: 81 73.709 2.452 0.958 0.591 0.925 0.700 CB 1.701 114 residues pruned to eliminate duplicates Z: 20 54.178 2.551 0.851 0.944 1.000 1.000 CB 1.822 20 residues pruned to eliminate duplicates Z: 21 44.313 2.477 0.631 0.932 1.000 0.950 CB 1.713 21 residues pruned to eliminate duplicates Z: 112 78.226 2.306 1.006 0.567 0.946 0.712 CB 1.590 21 residues pruned to eliminate duplicates Z: 101 88.380 2.468 1.076 0.568 0.930 0.660 CB 1.737 80 residues pruned to eliminate duplicates Z: 47 43.131 2.163 0.709 0.593 0.957 0.739 CB 1.646 8 residues pruned to eliminate duplicates Z: 21 62.014 2.501 1.273 0.950 1.000 0.750 CB 1.683 21 residues pruned to eliminate duplicates Z: 26 34.409 2.221 0.941 0.518 0.920 0.520 CB 1.705 27 residues pruned to eliminate duplicates Z: 19 52.707 2.681 0.844 0.944 1.000 0.889 CB 1.740 19 residues pruned to eliminate duplicates Z: 120 80.178 2.307 1.006 0.584 0.916 0.697 CB 1.600 120 residues pruned to eliminate duplicates Z: 21 63.793 2.484 1.341 0.947 1.000 0.850 CB 1.695 21 residues pruned to eliminate duplicates Z: 30 28.751 2.104 0.983 0.486 0.897 0.655 CB 1.447 30 residues pruned to eliminate duplicates Z: 20 41.768 2.362 0.501 0.928 1.000 1.000 CB 1.891 20 residues pruned to eliminate duplicates Z: 77 85.154 2.510 1.106 0.595 0.961 0.697 CB 1.757 77 residues pruned to eliminate duplicates Z: 50 50.983 2.356 1.028 0.518 0.939 0.653 CB 1.595 50 residues pruned to eliminate duplicates Z: 32 35.620 2.244 1.074 0.527 0.935 0.677 CB 1.432 32 residues pruned to eliminate duplicates Z: 29 34.824 2.127 0.680 0.650 1.000 0.679 CB 1.602 29 residues pruned to eliminate duplicates Z: 20 69.001 2.567 1.290 0.948 1.000 0.947 CB 1.860 20 residues pruned to eliminate duplicates Z: 64 51.499 2.139 1.006 0.575 0.984 0.683 CB 1.430 63 residues pruned to eliminate duplicates Z: 20 57.965 2.566 0.937 0.948 1.000 0.895 CB 1.847 20 residues pruned to eliminate duplicates Z: 23 36.851 2.089 0.747 0.924 1.000 0.773 CB 1.512 22 residues pruned to eliminate duplicates Z: 11 23.026 2.115 1.193 0.697 0.900 0.900 CB 1.457 11 residues pruned to eliminate duplicates Z: 13 38.298 2.287 1.258 0.756 1.000 0.833 CB 1.705 13 residues pruned to eliminate duplicates Z: 25 30.421 2.178 0.882 0.555 0.917 0.667 CB 1.566 25 residues pruned to eliminate duplicates Z: 74 65.488 2.338 0.894 0.598 0.932 0.699 CB 1.692 43 residues pruned to eliminate duplicates Z: 18 35.227 2.272 1.133 0.598 0.941 0.765 CB 1.706 18 residues pruned to eliminate duplicates Z: 88 76.553 2.426 0.931 0.587 0.943 0.701 CB 1.711 88 residues pruned to eliminate duplicates Z: 67 71.969 2.514 0.876 0.611 0.939 0.682 CB 1.800 67 residues pruned to eliminate duplicates Z: 22 37.441 2.146 0.644 0.926 1.000 0.905 CB 1.624 23 residues pruned to eliminate duplicates Z: 83 76.911 2.386 1.003 0.617 0.939 0.744 CB 1.694 83 residues pruned to eliminate duplicates Z: 146 93.071 2.293 1.001 0.599 0.952 0.724 CB 1.611 150 residues pruned to eliminate duplicates Z: 12 26.245 2.184 1.112 0.657 0.909 0.818 CB 1.631 12 residues pruned to eliminate duplicates Z: 23 14.856 1.992 0.517 0.350 0.864 0.455 CB 1.427 Z: 65 43.615 2.108 0.974 0.547 0.891 0.672 CB 1.405 65 residues pruned to eliminate duplicates Z: 23 37.456 2.117 0.718 0.911 1.000 0.864 CB 1.556 23 residues pruned to eliminate duplicates Z: 64 46.268 2.145 0.968 0.569 0.905 0.667 CB 1.427 64 residues pruned to eliminate duplicates Z: 84 79.466 2.369 1.044 0.628 0.952 0.747 CB 1.678 84 residues pruned to eliminate duplicates Z: 48 49.537 2.270 0.788 0.668 0.915 0.766 CB 1.666 48 residues pruned to eliminate duplicates Z: 21 53.600 2.388 1.002 0.926 1.000 0.900 CB 1.759 21 residues pruned to eliminate duplicates Z: 22 55.881 2.322 1.211 0.937 1.000 0.905 CB 1.653 22 residues pruned to eliminate duplicates Z: 22 55.712 2.592 0.861 0.934 1.000 0.857 CB 1.758 22 residues pruned to eliminate duplicates Z: 19 49.080 2.533 0.599 0.922 1.000 0.944 CB 2.009 19 residues pruned to eliminate duplicates Z: 22 55.244 2.344 1.185 0.931 1.000 0.762 CB 1.645 22 residues pruned to eliminate duplicates Z: 49 52.571 2.237 0.785 0.666 0.979 0.708 CB 1.665 49 residues pruned to eliminate duplicates Z: 11 19.802 2.062 0.912 0.681 0.900 0.900 CB 1.494 11 residues pruned to eliminate duplicates Z: 58 67.681 2.497 0.769 0.637 0.982 0.772 CB 1.817 58 residues pruned to eliminate duplicates Z: 65 44.011 2.133 0.892 0.517 0.938 0.703 CB 1.431 65 residues pruned to eliminate duplicates Z: 20 30.156 2.210 1.068 0.539 0.947 0.579 CB 1.539 20 residues pruned to eliminate duplicates Z: 49 47.587 2.222 0.761 0.668 0.917 0.750 CB 1.639 49 residues pruned to eliminate duplicates Z: 21 66.677 2.642 1.233 0.946 0.950 0.850 CB 1.840 21 residues pruned to eliminate duplicates Z: 22 69.325 2.620 1.347 0.933 0.952 0.714 CB 1.802 22 residues pruned to eliminate duplicates Z: 62 42.395 2.162 0.815 0.515 0.934 0.656 CB 1.459 62 residues pruned to eliminate duplicates Z: 32 56.653 2.446 1.347 0.604 0.935 0.613 CB 1.716 32 residues pruned to eliminate duplicates Z: 58 61.015 2.431 0.961 0.581 0.912 0.649 CB 1.720 58 residues pruned to eliminate duplicates Z: 92 85.045 2.493 1.021 0.594 0.923 0.692 CB 1.751 92 residues pruned to eliminate duplicates Z: 42 37.994 2.130 0.788 0.634 0.902 0.756 CB 1.522 42 residues pruned to eliminate duplicates Z: 21 57.759 2.494 1.189 0.934 1.000 0.850 CB 1.649 21 residues pruned to eliminate duplicates Z: 18 19.512 2.156 0.995 0.434 0.824 0.471 CB 1.430 18 residues pruned to eliminate duplicates Z: 19 63.002 2.496 1.271 0.953 1.000 0.833 CB 1.803 19 residues pruned to eliminate duplicates Z: 71 74.120 2.430 1.100 0.572 0.929 0.614 CB 1.744 71 residues pruned to eliminate duplicates Z: 128 95.397 2.409 0.891 0.615 0.945 0.724 CB 1.764 128 residues pruned to eliminate duplicates Z: 110 95.635 2.493 1.086 0.576 0.954 0.725 CB 1.716 111 residues pruned to eliminate duplicates Z: 85 67.900 2.331 0.874 0.586 0.929 0.726 CB 1.683 85 residues pruned to eliminate duplicates Z: 82 84.210 2.506 1.049 0.600 0.938 0.654 CB 1.766 82 residues pruned to eliminate duplicates Z: 95 76.531 2.325 1.026 0.586 0.947 0.713 CB 1.630 95 residues pruned to eliminate duplicates Z: 17 22.332 1.985 0.492 0.858 0.938 0.875 CB 1.480 17 residues pruned to eliminate duplicates Z: 16 18.828 1.927 0.744 0.541 0.933 0.600 CB 1.489 16 residues pruned to eliminate duplicates Z: 22 51.705 2.314 1.108 0.923 1.000 0.667 CB 1.625 22 residues pruned to eliminate duplicates Z: 10 14.935 1.870 0.785 0.656 1.000 0.667 CB 1.290 10 residues pruned to eliminate duplicates Z: 85 76.066 2.346 0.982 0.610 0.952 0.786 CB 1.689 85 residues pruned to eliminate duplicates Z: 19 20.776 2.053 0.901 0.514 0.833 0.722 CB 1.485 19 residues pruned to eliminate duplicates Z: 15 24.997 2.104 0.669 0.869 0.929 0.571 CB 1.497 15 residues pruned to eliminate duplicates Z: 13 34.595 2.152 1.147 0.826 0.917 0.833 CB 1.778 13 residues pruned to eliminate duplicates Z: 15 23.983 2.143 0.343 0.872 1.000 0.929 CB 1.624 15 residues pruned to eliminate duplicates Z: 84 61.407 2.285 0.823 0.583 0.940 0.651 CB 1.590 84 residues pruned to eliminate duplicates Z: 20 57.787 2.561 0.937 0.938 1.000 0.947 CB 1.858 20 residues pruned to eliminate duplicates Z: 13 18.613 2.103 1.089 0.597 0.750 0.583 CB 1.487 13 residues pruned to eliminate duplicates Z: 17 19.095 1.949 0.682 0.540 0.938 0.562 CB 1.494 Z: 106 60.841 2.178 0.921 0.552 0.895 0.657 CB 1.507 111 residues pruned to eliminate duplicates Z: 11 14.670 2.159 0.747 0.468 0.900 0.500 CB 1.412 11 residues pruned to eliminate duplicates Z: 26 24.356 2.097 0.631 0.499 0.920 0.600 CB 1.549 26 residues pruned to eliminate duplicates Z: 69 69.826 2.450 0.955 0.578 0.912 0.632 CB 1.798 69 residues pruned to eliminate duplicates Z: 22 46.897 2.331 0.883 0.941 1.000 0.905 CB 1.619 22 residues pruned to eliminate duplicates Z: 121 81.842 2.305 1.010 0.579 0.942 0.692 CB 1.588 121 residues pruned to eliminate duplicates Z: 22 51.849 2.361 1.007 0.938 1.000 0.952 CB 1.660 22 residues pruned to eliminate duplicates Z: 15 26.864 2.115 0.638 0.896 0.929 0.857 CB 1.599 15 residues pruned to eliminate duplicates Z: 106 64.041 2.178 0.852 0.606 0.933 0.686 CB 1.500 101 residues pruned to eliminate duplicates Z: 18 48.702 2.570 0.589 0.956 1.000 0.941 CB 1.986 18 residues pruned to eliminate duplicates Z: 153 105.840 2.418 1.007 0.611 0.934 0.704 CB 1.705 153 residues pruned to eliminate duplicates Z: 47 48.364 2.268 0.709 0.668 0.913 0.761 CB 1.725 47 residues pruned to eliminate duplicates Z: 32 37.983 2.207 0.975 0.583 0.968 0.742 CB 1.493 32 residues pruned to eliminate duplicates Z: 63 50.257 2.166 1.012 0.579 0.935 0.677 CB 1.451 65 residues pruned to eliminate duplicates Z: 26 26.289 2.102 0.757 0.540 0.960 0.680 CB 1.426 26 residues pruned to eliminate duplicates Z: 21 53.550 2.373 1.041 0.937 1.000 0.850 CB 1.722 26 residues pruned to eliminate duplicates Z: 76 60.544 2.213 0.990 0.604 0.933 0.653 CB 1.541 71 residues pruned to eliminate duplicates Z: 69 55.129 2.314 0.958 0.503 0.912 0.647 CB 1.614 69 residues pruned to eliminate duplicates Z: 9 15.163 1.854 0.749 0.812 1.000 0.375 CA 1.261 9 residues pruned to eliminate duplicates Z: 16 27.172 2.056 0.579 0.863 1.000 0.800 CB 1.586 16 residues pruned to eliminate duplicates Z: 69 80.198 2.498 1.061 0.616 0.971 0.691 CB 1.745 69 residues pruned to eliminate duplicates Z: 101 90.313 2.475 1.039 0.599 0.930 0.660 CB 1.752 101 residues pruned to eliminate duplicates Z: 47 48.896 2.273 0.659 0.703 0.913 0.804 CB 1.740 47 residues pruned to eliminate duplicates Z: 153 107.821 2.421 0.947 0.619 0.941 0.678 CB 1.763 152 residues pruned to eliminate duplicates Z: 64 40.841 2.116 0.931 0.525 0.921 0.698 CB 1.334 64 residues pruned to eliminate duplicates Z: 17 25.978 2.031 0.668 0.892 0.938 0.938 CB 1.469 17 residues pruned to eliminate duplicates Z: 21 51.425 2.441 1.108 0.914 1.000 0.800 CB 1.579 21 residues pruned to eliminate duplicates Z: 85 68.438 2.317 0.919 0.587 0.917 0.667 CB 1.686 85 residues pruned to eliminate duplicates Z: 112 71.731 2.302 0.910 0.543 0.928 0.685 CB 1.599 112 residues pruned to eliminate duplicates Z: 57 72.791 2.489 1.040 0.650 0.946 0.714 CB 1.760 57 residues pruned to eliminate duplicates Z: 20 23.807 2.132 0.949 0.496 0.895 0.737 CB 1.474 20 residues pruned to eliminate duplicates Z: 71 71.356 2.455 0.889 0.585 0.957 0.657 CB 1.771 71 residues pruned to eliminate duplicates Z: 22 32.270 2.105 0.491 0.920 1.000 1.000 CB 1.580 22 residues pruned to eliminate duplicates Z: 84 77.498 2.362 0.997 0.610 0.952 0.747 CB 1.707 84 residues pruned to eliminate duplicates Z: 152 99.208 2.420 0.919 0.594 0.927 0.702 CB 1.713 152 residues pruned to eliminate duplicates Z: 83 79.783 2.377 1.008 0.639 0.951 0.805 CB 1.705 84 residues pruned to eliminate duplicates Z: 21 66.663 2.467 1.469 0.952 1.000 0.750 CB 1.686 21 residues pruned to eliminate duplicates Z: 47 48.360 2.233 0.711 0.690 0.913 0.739 CB 1.717 47 residues pruned to eliminate duplicates Z: 16 13.204 1.939 0.567 0.416 0.800 0.533 CB 1.531 16 residues pruned to eliminate duplicates Z: 69 49.744 2.223 0.716 0.561 0.926 0.735 CB 1.608 69 residues pruned to eliminate duplicates Z: 151 83.740 2.253 0.936 0.576 0.920 0.680 CB 1.583 151 residues pruned to eliminate duplicates Z: 73 68.613 2.344 0.965 0.598 0.931 0.750 CB 1.719 73 residues pruned to eliminate duplicates Z: 52 39.288 2.166 0.706 0.599 0.863 0.745 CB 1.570 52 residues pruned to eliminate duplicates Z: 32 54.133 2.413 1.285 0.614 0.935 0.742 CB 1.692 32 residues pruned to eliminate duplicates Z: 57 51.601 2.257 0.816 0.630 0.911 0.732 CB 1.634 57 residues pruned to eliminate duplicates Z: 63 48.515 2.165 1.025 0.555 0.935 0.661 CB 1.424 63 residues pruned to eliminate duplicates Z: 54 70.678 2.509 0.946 0.649 0.962 0.755 CB 1.798 54 residues pruned to eliminate duplicates Z: 69 72.155 2.449 0.972 0.586 0.941 0.676 CB 1.772 69 residues pruned to eliminate duplicates Z: 22 38.549 2.183 0.692 0.928 1.000 1.000 CB 1.594 22 residues pruned to eliminate duplicates Z: 16 24.871 2.045 0.481 0.899 1.000 0.867 CB 1.516 16 residues pruned to eliminate duplicates Z: 152 105.477 2.439 0.968 0.602 0.927 0.702 CB 1.751 152 residues pruned to eliminate duplicates Z: 26 27.311 2.103 0.725 0.528 0.920 0.680 CB 1.593 26 residues pruned to eliminate duplicates Z: 22 33.507 2.169 0.480 0.905 1.000 0.952 CB 1.621 22 residues pruned to eliminate duplicates Z: 58 71.248 2.535 0.887 0.632 0.947 0.702 CB 1.839 58 residues pruned to eliminate duplicates Z: 64 44.113 2.132 0.875 0.544 0.937 0.635 CB 1.422 64 residues pruned to eliminate duplicates Z: 57 59.620 2.309 0.941 0.632 0.964 0.679 CB 1.630 57 residues pruned to eliminate duplicates Z: 17 25.577 1.974 0.671 0.890 0.938 0.688 CB 1.488 17 residues pruned to eliminate duplicates Z: 19 33.000 2.373 0.831 0.584 0.944 0.778 CB 1.748 19 residues pruned to eliminate duplicates Z: 8 19.733 1.857 0.948 0.877 1.000 0.714 CA 1.497 8 residues pruned to eliminate duplicates Z: 22 27.871 2.096 0.345 0.913 0.952 0.857 CB 1.603 22 residues pruned to eliminate duplicates Z: 153 108.893 2.422 1.003 0.616 0.941 0.724 CB 1.735 153 residues pruned to eliminate duplicates Z: 22 39.259 2.100 0.855 0.920 1.000 0.810 CB 1.550 22 residues pruned to eliminate duplicates Z: 9 12.493 1.812 0.685 0.827 0.875 0.625 CB 1.247 9 residues pruned to eliminate duplicates Z: 129 102.442 2.420 1.037 0.642 0.930 0.734 CB 1.731 129 residues pruned to eliminate duplicates Z: 64 44.546 2.134 0.922 0.543 0.921 0.603 CB 1.425 64 residues pruned to eliminate duplicates Z: 150 83.637 2.258 0.933 0.578 0.926 0.685 CB 1.573 150 residues pruned to eliminate duplicates Z: 22 53.784 2.335 1.147 0.953 1.000 0.857 CB 1.612 22 residues pruned to eliminate duplicates Z: 42 50.971 2.365 0.988 0.545 0.951 0.707 CB 1.703 42 residues pruned to eliminate duplicates Z: 24 33.001 2.258 0.889 0.522 0.913 0.565 CB 1.729 24 residues pruned to eliminate duplicates Z: 151 102.406 2.399 0.972 0.603 0.940 0.720 CB 1.704 151 residues pruned to eliminate duplicates Z: 93 73.678 2.346 1.006 0.570 0.935 0.707 CB 1.633 93 residues pruned to eliminate duplicates Z: 27 21.231 2.006 0.779 0.589 0.923 0.615 CB 1.161 25 residues pruned to eliminate duplicates Z: 51 40.772 2.165 0.998 0.542 0.900 0.700 CB 1.422 51 residues pruned to eliminate duplicates Z: 98 64.094 2.256 0.855 0.555 0.918 0.670 CB 1.606 98 residues pruned to eliminate duplicates Z: 94 65.302 2.277 0.880 0.560 0.935 0.720 CB 1.594 94 residues pruned to eliminate duplicates Z: 21 15.914 1.954 0.587 0.454 0.800 0.500 CB 1.503 21 residues pruned to eliminate duplicates Z: 23 35.753 2.107 0.587 0.909 1.000 0.909 CB 1.618 23 residues pruned to eliminate duplicates Z: 21 31.363 2.171 0.396 0.911 1.000 0.950 CB 1.640 21 residues pruned to eliminate duplicates Z: 17 21.558 2.042 0.357 0.886 1.000 0.875 CB 1.403 17 residues pruned to eliminate duplicates Z: 7 4.954 1.976 0.424 0.529 0.833 0.667 CB 0.838 Z: 33 24.920 2.004 0.808 0.486 0.938 0.625 CB 1.315 33 residues pruned to eliminate duplicates Z: 13 33.637 2.214 1.069 0.925 0.917 0.917 CB 1.623 13 residues pruned to eliminate duplicates Z: 78 59.923 2.221 0.854 0.614 0.961 0.662 CB 1.549 79 residues pruned to eliminate duplicates Z: 62 45.596 2.163 0.967 0.524 0.934 0.672 CB 1.434 62 residues pruned to eliminate duplicates Z: 17 17.618 1.931 0.655 0.550 0.875 0.625 CB 1.501 17 residues pruned to eliminate duplicates Z: 80 55.770 2.163 0.943 0.548 0.962 0.658 CB 1.482 81 residues pruned to eliminate duplicates Z: 7 13.868 1.855 0.729 0.824 1.000 0.833 CA 1.333 7 residues pruned to eliminate duplicates Z: 34 30.648 2.244 0.780 0.429 0.939 0.515 CB 1.530 34 residues pruned to eliminate duplicates Z: 7 16.217 1.982 0.877 0.643 1.000 0.833 CB 1.557 7 residues pruned to eliminate duplicates Z: 49 36.613 2.115 0.653 0.543 0.958 0.708 CB 1.512 49 residues pruned to eliminate duplicates Z: 29 25.974 2.097 0.906 0.448 0.857 0.607 CB 1.512 29 residues pruned to eliminate duplicates Z: 49 49.073 2.180 0.775 0.671 0.938 0.792 CB 1.668 49 residues pruned to eliminate duplicates Z: 152 105.429 2.439 0.912 0.624 0.934 0.715 CB 1.753 152 residues pruned to eliminate duplicates Z: 25 32.465 2.204 0.807 0.576 0.958 0.625 CB 1.614 25 residues pruned to eliminate duplicates Z: 6 12.608 1.845 0.673 0.840 1.000 0.800 CB 1.363 6 residues pruned to eliminate duplicates Z: 9 7.984 1.681 0.331 0.770 0.875 0.625 CB 1.135 Z: 21 39.860 2.447 0.524 0.921 1.000 0.900 CB 1.682 21 residues pruned to eliminate duplicates Z: 18 20.387 2.053 0.844 0.456 0.824 0.588 CB 1.659 18 residues pruned to eliminate duplicates Z: 19 15.828 1.994 0.677 0.472 0.833 0.611 CB 1.377 19 residues pruned to eliminate duplicates Z: 7 13.144 2.113 0.775 0.756 0.833 0.500 CA 1.367 7 residues pruned to eliminate duplicates Z: 152 110.077 2.428 0.994 0.619 0.947 0.735 CB 1.746 152 residues pruned to eliminate duplicates Z: 23 33.670 2.061 0.623 0.915 1.000 0.955 CB 1.516 23 residues pruned to eliminate duplicates Z: 111 89.701 2.487 0.982 0.586 0.918 0.727 CB 1.739 111 residues pruned to eliminate duplicates Z: 22 35.859 2.176 0.569 0.917 1.000 0.905 CB 1.617 22 residues pruned to eliminate duplicates Z: 153 105.682 2.432 0.933 0.627 0.934 0.684 CB 1.733 153 residues pruned to eliminate duplicates Z: 15 11.628 1.736 0.792 0.528 0.786 0.643 CB 1.236 15 residues pruned to eliminate duplicates Z: 16 24.779 2.068 0.430 0.901 1.000 0.933 CB 1.544 16 residues pruned to eliminate duplicates Z: 84 73.718 2.355 0.903 0.600 0.952 0.723 CB 1.725 84 residues pruned to eliminate duplicates Z: 31 37.368 2.231 1.004 0.527 0.967 0.600 CB 1.537 31 residues pruned to eliminate duplicates Z: 25 23.098 2.046 0.791 0.602 0.917 0.667 CB 1.273 25 residues pruned to eliminate duplicates Z: 51 27.015 2.034 0.695 0.474 0.860 0.560 CB 1.324 51 residues pruned to eliminate duplicates Z: 7 10.303 1.862 0.739 0.511 1.000 0.667 CB 1.285 6 residues pruned to eliminate duplicates Z: 103 80.057 2.377 0.990 0.581 0.931 0.706 CB 1.665 103 residues pruned to eliminate duplicates Z: 63 46.888 2.148 0.964 0.562 0.935 0.742 CB 1.421 63 residues pruned to eliminate duplicates Z: 29 39.652 2.132 0.765 0.720 1.000 0.786 CB 1.632 29 residues pruned to eliminate duplicates Z: 64 44.561 2.128 0.891 0.563 0.921 0.619 CB 1.426 64 residues pruned to eliminate duplicates Z: 17 18.810 1.936 0.645 0.557 0.938 0.625 CB 1.490 17 residues pruned to eliminate duplicates Z: 9 7.945 1.950 0.339 0.539 0.875 0.750 CB 1.183 9 residues pruned to eliminate duplicates Z: 42 54.739 2.248 1.039 0.662 1.000 0.634 CB 1.605 42 residues pruned to eliminate duplicates Z: 22 29.417 2.368 1.222 0.497 0.857 0.762 CB 1.428 22 residues pruned to eliminate duplicates Z: 14 19.135 2.195 0.753 0.410 0.846 0.385 CB 1.791 14 residues pruned to eliminate duplicates Z: 8 12.316 1.689 0.561 0.908 1.000 0.857 CB 1.254 9 residues pruned to eliminate duplicates Z: 55 43.023 2.159 0.714 0.622 0.870 0.704 CB 1.620 55 residues pruned to eliminate duplicates Z: 63 44.590 2.150 0.922 0.548 0.919 0.677 CB 1.422 63 residues pruned to eliminate duplicates Z: 105 72.373 2.210 0.956 0.619 0.962 0.731 CB 1.525 106 residues pruned to eliminate duplicates Z: 40 37.072 2.149 0.876 0.580 0.949 0.718 CB 1.437 40 residues pruned to eliminate duplicates Z: 17 23.059 2.253 1.077 0.478 0.812 0.750 CB 1.550 17 residues pruned to eliminate duplicates Z: 20 69.652 2.505 1.496 0.963 1.000 0.684 CB 1.747 20 residues pruned to eliminate duplicates Z: 32 27.460 2.022 0.817 0.559 0.968 0.710 CB 1.310 32 residues pruned to eliminate duplicates Z: 15 12.625 1.587 0.451 0.876 1.000 0.500 CB 1.065 8 residues pruned to eliminate duplicates Z: 6 13.357 2.265 0.966 0.604 1.000 0.800 CB 1.216 6 residues pruned to eliminate duplicates Z: 55 51.177 2.343 0.947 0.519 0.926 0.741 CB 1.618 55 residues pruned to eliminate duplicates Z: 16 13.533 1.991 0.654 0.585 0.800 0.667 CB 1.222 16 residues pruned to eliminate duplicates Z: 153 106.224 2.412 1.014 0.604 0.934 0.717 CB 1.720 153 residues pruned to eliminate duplicates Z: 22 22.314 2.022 0.791 0.523 0.905 0.619 CB 1.454 22 residues pruned to eliminate duplicates Z: 17 22.842 2.003 0.362 0.913 1.000 0.938 CB 1.481 17 residues pruned to eliminate duplicates Z: 6 4.417 1.745 -0.293 0.664 1.000 0.800 N 1.376 Z: 13 38.862 2.094 1.248 0.866 1.000 0.917 CB 1.744 13 residues pruned to eliminate duplicates Z: 58 55.023 2.296 0.986 0.632 0.895 0.684 CB 1.578 58 residues pruned to eliminate duplicates Z: 6 4.071 1.521 0.075 0.715 1.000 0.800 CB 0.916 6 residues pruned to eliminate duplicates Z: 51 37.872 2.089 0.880 0.537 0.940 0.640 CB 1.399 51 residues pruned to eliminate duplicates Z: 76 48.820 2.154 0.851 0.552 0.920 0.667 CB 1.461 76 residues pruned to eliminate duplicates Z: 35 29.533 2.061 0.888 0.579 0.941 0.735 CB 1.283 35 residues pruned to eliminate duplicates Z: 58 63.793 2.296 1.088 0.636 0.965 0.684 CB 1.608 58 residues pruned to eliminate duplicates Z: 18 34.476 2.293 0.429 0.931 1.000 1.000 CB 1.783 18 residues pruned to eliminate duplicates Z: 25 42.626 2.330 1.092 0.586 0.958 0.792 CB 1.716 25 residues pruned to eliminate duplicates Z: 7 2.117 1.673 -0.491 0.556 0.833 0.500 CB 1.154 7 residues pruned to eliminate duplicates Z: 32 27.478 2.082 0.774 0.508 0.903 0.645 CB 1.468 32 residues pruned to eliminate duplicates Z: 107 68.162 2.180 0.945 0.593 0.934 0.660 CB 1.529 107 residues pruned to eliminate duplicates Z: 6 3.404 1.573 -0.238 0.670 1.000 0.600 CB 1.085 Z: 6 9.172 1.669 0.764 0.777 1.000 0.800 C 1.091 6 residues pruned to eliminate duplicates Z: 70 70.814 2.329 0.889 0.648 0.971 0.797 CB 1.737 70 residues pruned to eliminate duplicates Z: 149 88.807 2.277 0.894 0.594 0.966 0.689 CB 1.601 149 residues pruned to eliminate duplicates Z: 110 92.606 2.472 1.102 0.556 0.945 0.670 CB 1.711 110 residues pruned to eliminate duplicates Z: 27 33.948 2.173 0.681 0.674 0.923 0.692 CB 1.681 27 residues pruned to eliminate duplicates Z: 12 29.309 2.120 1.055 0.941 1.000 0.909 CB 1.407 12 residues pruned to eliminate duplicates Z: 73 69.484 2.329 0.953 0.639 0.944 0.722 CB 1.673 73 residues pruned to eliminate duplicates Z: 46 39.269 2.204 0.852 0.519 0.911 0.644 CB 1.546 46 residues pruned to eliminate duplicates Z: 7 8.211 1.757 0.444 0.616 1.000 0.667 CA 1.184 7 residues pruned to eliminate duplicates Z: 17 34.394 2.352 0.705 0.863 0.875 0.812 CB 1.797 17 residues pruned to eliminate duplicates Z: 7 7.832 1.618 0.371 0.768 1.000 0.667 C 1.136 7 residues pruned to eliminate duplicates Z: 89 67.941 2.320 0.954 0.575 0.920 0.682 CB 1.615 89 residues pruned to eliminate duplicates Z: 13 12.100 1.717 0.626 0.826 0.917 0.667 CB 1.029 13 residues pruned to eliminate duplicates Z: 7 9.361 1.860 0.394 0.815 0.833 0.500 CB 1.345 7 residues pruned to eliminate duplicates Z: 98 88.008 2.471 0.967 0.619 0.948 0.691 CB 1.733 98 residues pruned to eliminate duplicates Z: 60 47.915 2.241 0.867 0.516 0.898 0.644 CB 1.633 60 residues pruned to eliminate duplicates Z: 12 26.110 2.267 0.859 0.697 1.000 0.636 CB 1.560 12 residues pruned to eliminate duplicates Z: 63 45.348 2.120 0.979 0.574 0.887 0.694 CB 1.441 63 residues pruned to eliminate duplicates Z: 63 41.932 2.136 0.875 0.514 0.919 0.613 CB 1.427 63 residues pruned to eliminate duplicates Z: 21 40.866 2.223 0.720 0.938 1.000 0.950 CB 1.661 21 residues pruned to eliminate duplicates Z: 116 62.028 2.204 0.830 0.555 0.922 0.678 CB 1.476 116 residues pruned to eliminate duplicates Z: 67 58.122 2.294 0.941 0.613 0.909 0.636 CB 1.588 67 residues pruned to eliminate duplicates Z: 80 69.886 2.323 0.908 0.616 0.949 0.734 CB 1.675 80 residues pruned to eliminate duplicates Z: 17 23.606 1.999 0.473 0.881 1.000 0.812 CB 1.451 17 residues pruned to eliminate duplicates Z: 6 6.427 1.763 0.339 0.660 0.800 0.800 N 1.312 Z: 81 52.914 2.163 0.918 0.543 0.913 0.650 CB 1.499 81 residues pruned to eliminate duplicates Z: 18 17.235 1.921 0.581 0.598 0.882 0.706 CB 1.420 18 residues pruned to eliminate duplicates Z: 11 9.775 1.792 0.441 0.554 0.900 0.700 CB 1.262 11 residues pruned to eliminate duplicates Z: 8 3.164 1.237 0.236 0.638 1.000 0.714 C 0.687 8 residues pruned to eliminate duplicates Z: 6 4.545 1.686 -0.212 0.820 1.000 0.800 CB 1.159 6 residues pruned to eliminate duplicates Z: 16 22.323 2.247 0.980 0.506 0.867 0.467 CB 1.486 16 residues pruned to eliminate duplicates Z: 27 24.296 2.025 0.878 0.580 0.923 0.654 CB 1.256 27 residues pruned to eliminate duplicates Z: 10 4.922 1.776 -0.173 0.414 0.889 0.556 N 1.374 Z: 22 68.564 2.640 1.233 0.943 0.952 0.714 CB 1.846 22 residues pruned to eliminate duplicates Z: 12 37.282 2.287 0.960 0.900 1.000 0.909 CA 1.791 12 residues pruned to eliminate duplicates Z: 6 4.273 1.693 -0.027 0.801 1.000 0.600 CB 0.891 6 residues pruned to eliminate duplicates Z: 23 29.446 2.225 1.173 0.474 0.909 0.682 CB 1.466 23 residues pruned to eliminate duplicates Z: 108 74.033 2.288 1.036 0.544 0.925 0.598 CB 1.590 108 residues pruned to eliminate duplicates Z: 6 5.847 1.693 -0.057 0.752 1.000 0.600 CB 1.308 6 residues pruned to eliminate duplicates Z: 6 3.201 1.632 -0.354 0.635 1.000 0.800 C 1.197 7 residues pruned to eliminate duplicates Z: 85 74.373 2.362 0.985 0.625 0.929 0.738 CB 1.658 85 residues pruned to eliminate duplicates Z: 96 75.134 2.328 0.920 0.592 0.926 0.705 CB 1.704 96 residues pruned to eliminate duplicates Z: 12 9.884 1.923 0.319 0.543 1.000 0.636 CB 1.126 12 residues pruned to eliminate duplicates Z: 10 10.158 1.897 0.936 0.558 1.000 0.778 CB 0.872 10 residues pruned to eliminate duplicates Z: 16 13.901 1.594 0.481 0.892 1.000 0.867 CB 1.093 15 residues pruned to eliminate duplicates Z: 27 41.197 2.224 0.741 0.721 1.000 0.846 CB 1.709 27 residues pruned to eliminate duplicates Z: 6 5.281 1.687 -0.127 0.817 1.000 1.000 CB 1.217 6 residues pruned to eliminate duplicates Z: 23 39.553 2.119 0.770 0.932 1.000 0.909 CB 1.570 23 residues pruned to eliminate duplicates Z: 111 68.802 2.298 0.802 0.561 0.927 0.664 CB 1.610 111 residues pruned to eliminate duplicates Z: 63 47.230 2.146 0.968 0.564 0.935 0.694 CB 1.427 63 residues pruned to eliminate duplicates Z: 133 101.797 2.442 1.131 0.579 0.924 0.720 CB 1.707 134 residues pruned to eliminate duplicates Z: 44 74.126 2.577 1.096 0.669 0.977 0.744 CB 1.833 44 residues pruned to eliminate duplicates Z: 18 15.276 1.836 0.601 0.501 0.882 0.647 CB 1.428 18 residues pruned to eliminate duplicates Z: 64 44.746 2.139 0.889 0.567 0.937 0.714 CB 1.397 64 residues pruned to eliminate duplicates Z: 18 30.215 2.029 0.645 0.844 1.000 0.941 CB 1.634 18 residues pruned to eliminate duplicates Z: 25 19.849 2.159 1.066 0.410 0.750 0.458 CB 1.331 25 residues pruned to eliminate duplicates Z: 9 8.385 1.790 0.890 0.623 0.875 0.750 CB 0.893 Z: 59 66.632 2.454 0.961 0.625 0.931 0.690 CB 1.736 59 residues pruned to eliminate duplicates Z: 69 58.668 2.278 1.025 0.539 0.926 0.632 CB 1.602 69 residues pruned to eliminate duplicates Z: 6 6.761 1.684 0.183 0.755 1.000 0.800 CA 1.210 6 residues pruned to eliminate duplicates Z: 8 8.818 1.725 0.757 0.833 0.714 0.429 CA 1.155 8 residues pruned to eliminate duplicates Z: 6 9.082 1.656 0.357 0.769 1.000 0.600 CA 1.425 6 residues pruned to eliminate duplicates Z: 7 4.346 1.725 -0.297 0.618 1.000 0.667 CB 1.308 Z: 66 72.918 2.458 1.063 0.565 0.923 0.662 CB 1.813 66 residues pruned to eliminate duplicates Z: 33 30.539 1.973 0.594 0.658 0.969 0.719 CB 1.530 33 residues pruned to eliminate duplicates Z: 38 52.362 2.461 0.997 0.607 0.946 0.676 CB 1.673 38 residues pruned to eliminate duplicates Z: 49 51.274 2.212 0.753 0.717 0.938 0.708 CB 1.673 49 residues pruned to eliminate duplicates Z: 19 19.567 1.824 0.890 0.561 0.944 0.667 CB 1.335 18 residues pruned to eliminate duplicates Z: 150 86.413 2.269 0.926 0.590 0.933 0.698 CB 1.593 150 residues pruned to eliminate duplicates Z: 52 44.236 2.301 0.972 0.470 0.882 0.667 CB 1.595 52 residues pruned to eliminate duplicates Z: 23 37.154 2.164 0.604 0.879 0.955 0.955 CA 1.734 23 residues pruned to eliminate duplicates Z: 30 44.086 2.259 1.128 0.604 0.931 0.793 CB 1.657 30 residues pruned to eliminate duplicates Z: 8 8.320 1.782 0.864 0.449 0.857 0.571 CB 1.163 Z: 22 23.332 2.205 0.789 0.435 0.857 0.619 CB 1.611 22 residues pruned to eliminate duplicates Z: 15 11.698 1.578 0.556 0.885 0.929 0.357 CB 0.990 15 residues pruned to eliminate duplicates Z: 44 37.017 2.117 0.672 0.652 0.884 0.767 CB 1.566 44 residues pruned to eliminate duplicates Z: 8 4.120 1.756 0.303 0.433 0.571 0.286 CB 1.277 8 residues pruned to eliminate duplicates Z: 6 3.291 1.633 0.135 0.552 1.000 0.600 CB 0.754 4 residues pruned to eliminate duplicates Z: 12 21.576 2.198 0.640 0.589 1.000 0.818 CA 1.657 12 residues pruned to eliminate duplicates Z: 84 76.196 2.365 0.957 0.632 0.952 0.723 CB 1.678 84 residues pruned to eliminate duplicates Z: 22 34.044 2.048 0.755 0.902 0.952 0.810 CB 1.548 22 residues pruned to eliminate duplicates Z: 28 24.633 2.080 0.955 0.446 0.926 0.593 CB 1.331 28 residues pruned to eliminate duplicates Z: 8 5.972 1.756 0.035 0.553 0.857 0.714 N 1.377 Z: 19 66.244 2.674 1.357 0.961 1.000 0.722 CB 1.696 19 residues pruned to eliminate duplicates Z: 150 84.565 2.260 0.892 0.583 0.946 0.671 CB 1.581 150 residues pruned to eliminate duplicates Z: 22 54.815 2.311 1.289 0.947 1.000 0.810 CB 1.563 22 residues pruned to eliminate duplicates Z: 24 27.936 2.118 0.915 0.644 0.913 0.696 CB 1.375 24 residues pruned to eliminate duplicates Z: 15 14.217 1.630 0.469 0.898 1.000 0.857 CB 1.136 15 residues pruned to eliminate duplicates Z: 6 5.984 1.830 0.216 0.485 1.000 0.800 CB 1.221 Z: 22 59.715 2.634 0.865 0.960 1.000 0.905 CB 1.817 22 residues pruned to eliminate duplicates Z: 63 42.193 2.141 0.865 0.536 0.919 0.661 CB 1.409 63 residues pruned to eliminate duplicates Z: 9 6.639 1.817 0.567 0.499 0.875 0.625 CB 0.943 7 residues pruned to eliminate duplicates Z: 20 59.895 2.525 1.131 0.939 1.000 0.895 CB 1.774 20 residues pruned to eliminate duplicates Z: 44 63.632 2.503 1.070 0.634 0.953 0.721 CB 1.732 44 residues pruned to eliminate duplicates Z: 43 38.510 2.107 0.650 0.605 0.976 0.643 CB 1.585 43 residues pruned to eliminate duplicates Z: 47 47.190 2.221 0.928 0.623 0.957 0.674 CB 1.512 47 residues pruned to eliminate duplicates Z: 63 44.720 2.148 1.006 0.556 0.903 0.710 CB 1.382 63 residues pruned to eliminate duplicates Z: 17 17.069 1.920 0.634 0.548 0.875 0.625 CB 1.484 17 residues pruned to eliminate duplicates Z: 7 3.807 1.513 0.408 0.379 0.833 0.333 N 0.996 7 residues pruned to eliminate duplicates Z: 41 39.222 2.107 0.755 0.626 0.950 0.725 CB 1.567 41 residues pruned to eliminate duplicates Z: 7 9.244 1.716 0.640 0.494 1.000 0.833 CB 1.350 7 residues pruned to eliminate duplicates Z: 35 36.723 2.126 0.616 0.738 0.912 0.765 CB 1.624 35 residues pruned to eliminate duplicates Z: 6 3.963 1.725 -0.255 0.817 1.000 1.000 CB 1.047 6 residues pruned to eliminate duplicates Z: 20 24.003 2.136 0.754 0.525 0.947 0.684 CB 1.514 20 residues pruned to eliminate duplicates Z: 69 78.350 2.503 1.028 0.604 0.941 0.691 CB 1.801 69 residues pruned to eliminate duplicates Z: 15 13.526 1.631 0.409 0.878 1.000 0.786 CB 1.141 15 residues pruned to eliminate duplicates Z: 21 42.818 2.208 0.870 0.924 1.000 0.950 CB 1.628 21 residues pruned to eliminate duplicates Z: 152 107.831 2.426 0.973 0.612 0.960 0.722 CB 1.716 152 residues pruned to eliminate duplicates Z: 25 31.599 2.181 0.947 0.527 0.917 0.458 CB 1.613 25 residues pruned to eliminate duplicates Z: 41 30.501 2.059 0.759 0.618 0.875 0.725 CB 1.361 41 residues pruned to eliminate duplicates Z: 25 19.181 1.915 0.694 0.504 0.833 0.625 CB 1.443 25 residues pruned to eliminate duplicates Z: 10 23.359 2.313 0.883 0.547 1.000 0.444 CA 1.707 10 residues pruned to eliminate duplicates Z: 24 28.695 2.225 0.865 0.516 0.957 0.609 CB 1.483 24 residues pruned to eliminate duplicates Z: 46 59.294 2.464 1.016 0.633 0.911 0.733 CB 1.723 46 residues pruned to eliminate duplicates Z: 45 41.626 2.187 0.941 0.589 0.955 0.614 CB 1.422 45 residues pruned to eliminate duplicates Z: 6 2.272 1.642 0.096 0.290 0.600 0.600 CB 1.191 Z: 27 39.462 2.154 0.744 0.758 1.000 0.731 CB 1.638 27 residues pruned to eliminate duplicates Z: 19 39.870 2.330 1.010 0.795 0.944 0.889 CB 1.640 19 residues pruned to eliminate duplicates Z: 10 17.319 1.989 0.739 0.594 1.000 0.556 CA 1.526 10 residues pruned to eliminate duplicates Z: 22 34.792 2.286 0.453 0.936 1.000 0.905 CB 1.592 22 residues pruned to eliminate duplicates Z: 76 64.764 2.241 0.965 0.610 0.960 0.733 CB 1.594 76 residues pruned to eliminate duplicates Z: 48 54.227 2.294 1.061 0.556 0.915 0.745 CB 1.732 48 residues pruned to eliminate duplicates Z: 6 3.828 1.583 0.165 0.749 1.000 0.800 CB 0.744 Z: 35 28.035 2.245 0.748 0.449 0.882 0.588 CB 1.463 35 residues pruned to eliminate duplicates Z: 48 36.201 2.074 0.921 0.534 0.872 0.574 CB 1.470 48 residues pruned to eliminate duplicates Z: 17 21.747 2.088 0.742 0.471 1.000 0.625 CB 1.539 17 residues pruned to eliminate duplicates Z: 57 65.001 2.424 0.947 0.603 0.946 0.661 CB 1.762 57 residues pruned to eliminate duplicates Z: 8 2.816 1.618 0.264 0.418 0.714 0.429 CB 0.794 6 residues pruned to eliminate duplicates Z: 21 36.710 2.317 0.953 0.593 0.950 0.800 CB 1.747 21 residues pruned to eliminate duplicates Z: 13 12.497 1.865 0.628 0.581 1.000 0.667 CB 1.099 13 residues pruned to eliminate duplicates Z: 23 16.767 1.796 0.877 0.616 0.864 0.636 CB 1.101 23 residues pruned to eliminate duplicates Z: 20 27.278 2.305 0.715 0.597 0.895 0.684 CB 1.613 20 residues pruned to eliminate duplicates Z: 52 40.495 2.201 0.909 0.494 0.882 0.706 CB 1.538 52 residues pruned to eliminate duplicates Z: 54 56.051 2.314 0.912 0.649 0.962 0.717 CB 1.573 54 residues pruned to eliminate duplicates Z: 40 44.092 2.168 1.002 0.685 0.949 0.769 CB 1.447 40 residues pruned to eliminate duplicates Z: 22 29.946 2.193 1.091 0.484 0.952 0.619 CB 1.521 22 residues pruned to eliminate duplicates Z: 63 43.553 2.150 0.889 0.555 0.919 0.710 CB 1.404 63 residues pruned to eliminate duplicates Z: 82 59.951 2.240 0.866 0.568 0.926 0.667 CB 1.612 82 residues pruned to eliminate duplicates Z: 42 40.238 2.196 0.898 0.619 0.878 0.585 CB 1.534 42 residues pruned to eliminate duplicates Z: 35 36.187 2.219 0.884 0.453 0.941 0.618 CB 1.656 35 residues pruned to eliminate duplicates Z: 20 67.096 2.555 1.286 0.939 1.000 0.947 CB 1.830 20 residues pruned to eliminate duplicates Z: 43 40.020 2.079 0.826 0.659 0.952 0.738 CB 1.474 43 residues pruned to eliminate duplicates Z: 23 18.449 2.086 0.825 0.493 0.818 0.682 CB 1.271 23 residues pruned to eliminate duplicates Z: 10 30.151 2.346 1.201 0.874 1.000 0.889 CB 1.417 10 residues pruned to eliminate duplicates Z: 31 43.378 2.249 0.725 0.739 0.967 0.767 CB 1.704 31 residues pruned to eliminate duplicates Z: 21 17.726 2.068 0.947 0.312 0.900 0.500 CB 1.346 32 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 108 91.819 2.491 1.012 0.569 0.944 0.682 CB 1.754 108 residues pruned to eliminate duplicates Z: 153 109.667 2.433 0.983 0.614 0.941 0.671 CB 1.759 153 residues pruned to eliminate duplicates Z: 10 18.127 2.040 1.000 0.576 0.889 0.444 CA 1.548 10 residues pruned to eliminate duplicates Z: 69 75.988 2.504 0.966 0.607 0.941 0.721 CB 1.797 69 residues pruned to eliminate duplicates Z: 152 109.513 2.445 0.961 0.610 0.954 0.748 CB 1.757 152 residues pruned to eliminate duplicates Z: 82 84.836 2.520 0.956 0.613 0.963 0.741 CB 1.785 82 residues pruned to eliminate duplicates Z: 152 112.657 2.447 0.977 0.626 0.947 0.728 CB 1.777 152 residues pruned to eliminate duplicates Z: 71 72.929 2.478 0.873 0.619 0.929 0.686 CB 1.807 71 residues pruned to eliminate duplicates Z: 108 94.411 2.501 1.023 0.577 0.944 0.636 CB 1.774 108 residues pruned to eliminate duplicates Z: 100 78.127 2.402 0.905 0.582 0.899 0.636 CB 1.765 100 residues pruned to eliminate duplicates Z: 111 98.379 2.487 1.059 0.592 0.945 0.700 CB 1.774 111 residues pruned to eliminate duplicates Z: 69 78.401 2.515 0.929 0.609 0.971 0.647 CB 1.820 69 residues pruned to eliminate duplicates Z: 50 71.793 2.495 1.003 0.669 0.959 0.714 CB 1.830 50 residues pruned to eliminate duplicates Z: 155 105.997 2.404 0.938 0.617 0.942 0.701 CB 1.743 155 residues pruned to eliminate duplicates Z: 153 106.951 2.428 0.938 0.611 0.954 0.678 CB 1.739 153 residues pruned to eliminate duplicates Z: 152 104.053 2.446 0.950 0.590 0.927 0.649 CB 1.757 152 residues pruned to eliminate duplicates Z: 154 103.990 2.411 0.919 0.598 0.941 0.680 CB 1.759 154 residues pruned to eliminate duplicates Z: 100 88.772 2.481 0.978 0.582 0.960 0.687 CB 1.752 100 residues pruned to eliminate duplicates Z: 152 107.107 2.433 0.964 0.613 0.940 0.722 CB 1.742 152 residues pruned to eliminate duplicates Z: 58 74.121 2.532 0.941 0.635 0.965 0.772 CB 1.823 58 residues pruned to eliminate duplicates Z: 86 78.255 2.453 0.923 0.587 0.941 0.718 CB 1.759 86 residues pruned to eliminate duplicates Z: 153 103.289 2.432 0.919 0.598 0.941 0.717 CB 1.738 153 residues pruned to eliminate duplicates Z: 85 78.567 2.473 1.004 0.575 0.917 0.714 CB 1.755 85 residues pruned to eliminate duplicates Z: 152 106.658 2.439 0.947 0.613 0.940 0.722 CB 1.746 152 residues pruned to eliminate duplicates Z: 152 109.221 2.442 0.958 0.626 0.940 0.735 CB 1.755 152 residues pruned to eliminate duplicates Z: 83 76.384 2.490 0.941 0.579 0.927 0.634 CB 1.746 83 residues pruned to eliminate duplicates Z: 82 84.130 2.509 0.980 0.601 0.963 0.667 CB 1.775 82 residues pruned to eliminate duplicates Z: 71 67.924 2.460 0.901 0.592 0.900 0.686 CB 1.766 71 residues pruned to eliminate duplicates Z: 152 108.905 2.435 0.977 0.622 0.940 0.735 CB 1.745 152 residues pruned to eliminate duplicates Z: 83 78.674 2.487 0.906 0.598 0.951 0.695 CB 1.756 83 residues pruned to eliminate duplicates Z: 77 85.223 2.528 1.076 0.623 0.934 0.711 CB 1.775 77 residues pruned to eliminate duplicates Z: 68 74.417 2.517 0.989 0.595 0.910 0.657 CB 1.821 68 residues pruned to eliminate duplicates Z: 153 108.110 2.427 0.982 0.606 0.947 0.704 CB 1.740 153 residues pruned to eliminate duplicates Z: 99 93.391 2.512 1.071 0.601 0.929 0.643 CB 1.774 99 residues pruned to eliminate duplicates Z: 131 92.299 2.429 0.916 0.596 0.915 0.700 CB 1.733 131 residues pruned to eliminate duplicates Z: 60 74.481 2.521 1.117 0.609 0.932 0.712 CB 1.757 60 residues pruned to eliminate duplicates Z: 79 69.945 2.378 1.014 0.561 0.923 0.615 CB 1.689 70 residues pruned to eliminate duplicates Z: 22 65.385 2.622 1.103 0.947 1.000 0.905 CB 1.789 22 residues pruned to eliminate duplicates Z: 106 88.297 2.452 1.058 0.571 0.914 0.705 CB 1.744 106 residues pruned to eliminate duplicates Z: 69 79.928 2.509 1.045 0.631 0.926 0.735 CB 1.803 78 residues pruned to eliminate duplicates Z: 21 71.601 2.676 1.132 0.951 1.000 0.950 CB 1.934 21 residues pruned to eliminate duplicates Z: 101 86.852 2.459 1.083 0.593 0.900 0.680 CB 1.723 101 residues pruned to eliminate duplicates Z: 77 82.893 2.509 1.114 0.603 0.921 0.632 CB 1.765 77 residues pruned to eliminate duplicates Z: 76 87.869 2.515 1.162 0.617 0.947 0.680 CB 1.765 76 residues pruned to eliminate duplicates Z: 56 63.423 2.457 0.911 0.581 0.964 0.691 CB 1.748 56 residues pruned to eliminate duplicates Z: 71 73.112 2.459 0.985 0.595 0.929 0.657 CB 1.760 71 residues pruned to eliminate duplicates Z: 22 65.711 2.645 1.135 0.928 1.000 0.810 CB 1.779 22 residues pruned to eliminate duplicates Z: 152 110.947 2.446 1.017 0.620 0.934 0.728 CB 1.750 152 residues pruned to eliminate duplicates Z: 36 59.218 2.535 0.986 0.689 0.943 0.686 CB 1.774 36 residues pruned to eliminate duplicates Z: 61 72.246 2.510 0.985 0.603 0.950 0.667 CB 1.786 61 residues pruned to eliminate duplicates Z: 153 107.043 2.424 0.970 0.616 0.941 0.717 CB 1.733 153 residues pruned to eliminate duplicates Z: 100 90.730 2.469 1.086 0.593 0.929 0.747 CB 1.743 100 residues pruned to eliminate duplicates Z: 100 88.423 2.489 1.008 0.586 0.939 0.697 CB 1.742 100 residues pruned to eliminate duplicates Z: 152 107.904 2.435 0.988 0.611 0.940 0.702 CB 1.736 152 residues pruned to eliminate duplicates Z: 101 94.042 2.489 1.083 0.600 0.940 0.640 CB 1.754 101 residues pruned to eliminate duplicates Z: 18 30.670 2.481 1.053 0.420 0.882 0.647 CB 1.799 18 residues pruned to eliminate duplicates Z: 109 102.005 2.498 1.137 0.588 0.954 0.676 CB 1.772 109 residues pruned to eliminate duplicates Z: 6 6.903 1.859 0.923 0.384 0.800 0.200 N 1.221 6 residues pruned to eliminate duplicates Z: 100 93.608 2.487 1.099 0.595 0.949 0.687 CB 1.734 100 residues pruned to eliminate duplicates Z: 68 81.667 2.512 1.106 0.603 0.955 0.657 CB 1.790 68 residues pruned to eliminate duplicates Z: 24 23.586 2.245 0.921 0.353 0.826 0.478 CB 1.618 24 residues pruned to eliminate duplicates Z: 129 97.768 2.419 1.012 0.628 0.906 0.734 CB 1.737 129 residues pruned to eliminate duplicates Z: 69 75.380 2.508 1.047 0.596 0.897 0.662 CB 1.811 69 residues pruned to eliminate duplicates Z: 70 81.401 2.486 1.112 0.600 0.957 0.696 CB 1.774 70 residues pruned to eliminate duplicates Z: 112 88.805 2.464 1.065 0.571 0.901 0.658 CB 1.716 112 residues pruned to eliminate duplicates Z: 47 65.437 2.531 1.039 0.631 0.935 0.674 CB 1.768 47 residues pruned to eliminate duplicates Z: 85 75.891 2.457 1.051 0.582 0.893 0.643 CB 1.700 85 residues pruned to eliminate duplicates Z: 83 83.041 2.497 1.068 0.584 0.939 0.634 CB 1.745 83 residues pruned to eliminate duplicates Z: 152 107.934 2.439 1.009 0.612 0.927 0.695 CB 1.739 152 residues pruned to eliminate duplicates Z: 149 99.105 2.406 0.967 0.586 0.939 0.716 CB 1.688 149 residues pruned to eliminate duplicates Z: 61 69.469 2.479 1.085 0.579 0.917 0.683 CB 1.754 61 residues pruned to eliminate duplicates Z: 53 55.658 2.392 1.187 0.493 0.865 0.577 CB 1.716 53 residues pruned to eliminate duplicates Z: 16 27.779 2.331 0.996 0.524 0.933 0.533 CB 1.613 16 residues pruned to eliminate duplicates Z: 84 73.080 2.347 0.984 0.600 0.904 0.723 CB 1.733 84 residues pruned to eliminate duplicates Z: 83 81.452 2.506 1.058 0.606 0.915 0.695 CB 1.725 83 residues pruned to eliminate duplicates Z: 42 55.648 2.405 1.163 0.550 0.927 0.610 CB 1.717 42 residues pruned to eliminate duplicates Z: 15 29.417 2.340 1.198 0.546 1.000 0.714 CB 1.462 15 residues pruned to eliminate duplicates Z: 97 84.742 2.459 1.096 0.585 0.896 0.646 CB 1.726 97 residues pruned to eliminate duplicates Z: 32 53.918 2.436 1.255 0.573 0.968 0.677 CB 1.698 32 residues pruned to eliminate duplicates Z: 47 57.963 2.397 1.195 0.555 0.913 0.652 CB 1.686 47 residues pruned to eliminate duplicates Z: 105 84.606 2.357 1.086 0.599 0.913 0.712 CB 1.681 105 residues pruned to eliminate duplicates Z: 153 109.030 2.421 1.026 0.615 0.941 0.704 CB 1.720 153 residues pruned to eliminate duplicates Z: 102 91.292 2.470 1.115 0.595 0.921 0.683 CB 1.726 102 residues pruned to eliminate duplicates Z: 85 75.482 2.368 0.958 0.618 0.929 0.786 CB 1.712 85 residues pruned to eliminate duplicates Z: 84 70.816 2.332 0.848 0.629 0.940 0.747 CB 1.699 84 residues pruned to eliminate duplicates Z: 33 45.965 2.369 1.080 0.572 0.938 0.625 CB 1.641 33 residues pruned to eliminate duplicates Z: 104 80.015 2.375 0.958 0.586 0.932 0.699 CB 1.675 104 residues pruned to eliminate duplicates Z: 45 49.797 2.373 1.207 0.509 0.864 0.636 CB 1.645 45 residues pruned to eliminate duplicates Z: 41 56.405 2.465 1.278 0.563 0.925 0.775 CB 1.615 41 residues pruned to eliminate duplicates Z: 100 94.055 2.466 1.160 0.583 0.939 0.677 CB 1.744 100 residues pruned to eliminate duplicates Z: 152 113.919 2.442 1.042 0.622 0.947 0.748 CB 1.750 152 residues pruned to eliminate duplicates Z: 155 109.384 2.407 0.982 0.625 0.955 0.760 CB 1.720 155 residues pruned to eliminate duplicates Z: 105 72.551 2.358 0.872 0.531 0.923 0.663 CB 1.693 105 residues pruned to eliminate duplicates Z: 110 93.766 2.489 1.114 0.582 0.927 0.670 CB 1.703 110 residues pruned to eliminate duplicates Z: 84 70.021 2.380 0.861 0.586 0.940 0.759 CB 1.700 84 residues pruned to eliminate duplicates Z: 71 69.866 2.371 0.959 0.610 0.929 0.771 CB 1.745 71 residues pruned to eliminate duplicates Z: 109 100.239 2.504 1.120 0.587 0.954 0.676 CB 1.753 109 residues pruned to eliminate duplicates Z: 152 106.557 2.431 0.969 0.610 0.954 0.715 CB 1.712 152 residues pruned to eliminate duplicates Z: 112 83.077 2.358 1.033 0.599 0.937 0.757 CB 1.598 112 residues pruned to eliminate duplicates Z: 54 59.683 2.411 1.263 0.509 0.906 0.679 CB 1.644 54 residues pruned to eliminate duplicates Z: 152 100.872 2.414 0.955 0.593 0.940 0.702 CB 1.692 152 residues pruned to eliminate duplicates Z: 85 75.528 2.364 0.993 0.618 0.917 0.738 CB 1.708 85 residues pruned to eliminate duplicates Z: 29 47.959 2.462 1.234 0.546 0.929 0.643 CB 1.697 29 residues pruned to eliminate duplicates Z: 23 31.744 2.363 1.176 0.481 0.818 0.682 CB 1.639 23 residues pruned to eliminate duplicates Z: 152 110.801 2.444 1.031 0.610 0.940 0.735 CB 1.740 152 residues pruned to eliminate duplicates Z: 83 73.865 2.373 0.944 0.611 0.939 0.732 CB 1.695 83 residues pruned to eliminate duplicates Z: 85 76.543 2.350 0.944 0.611 0.976 0.738 CB 1.686 85 residues pruned to eliminate duplicates Z: 54 47.705 2.247 0.692 0.601 0.925 0.736 CB 1.693 54 residues pruned to eliminate duplicates Z: 85 72.180 2.340 0.979 0.583 0.929 0.702 CB 1.690 85 residues pruned to eliminate duplicates Z: 85 71.663 2.311 0.924 0.594 0.940 0.702 CB 1.709 85 residues pruned to eliminate duplicates Z: 47 46.647 2.233 0.693 0.661 0.935 0.761 CB 1.676 47 residues pruned to eliminate duplicates Z: 49 49.034 2.222 0.766 0.707 0.917 0.792 CB 1.630 49 residues pruned to eliminate duplicates Z: 84 69.513 2.336 0.909 0.591 0.940 0.795 CB 1.668 84 residues pruned to eliminate duplicates Z: 45 48.261 2.286 0.707 0.669 0.909 0.818 CB 1.754 45 residues pruned to eliminate duplicates Z: 85 75.290 2.381 0.991 0.597 0.929 0.726 CB 1.701 85 residues pruned to eliminate duplicates Z: 49 51.029 2.216 0.794 0.654 0.958 0.812 CB 1.675 49 residues pruned to eliminate duplicates Z: 73 68.933 2.337 0.931 0.627 0.944 0.778 CB 1.692 73 residues pruned to eliminate duplicates Z: 152 111.998 2.436 1.059 0.621 0.947 0.728 CB 1.711 152 residues pruned to eliminate duplicates Z: 46 50.265 2.237 0.773 0.689 0.933 0.800 CB 1.702 46 residues pruned to eliminate duplicates Z: 51 45.060 2.186 0.729 0.634 0.920 0.720 CB 1.617 51 residues pruned to eliminate duplicates Z: 48 48.647 2.243 0.745 0.681 0.894 0.766 CB 1.718 48 residues pruned to eliminate duplicates Z: 84 73.304 2.344 0.941 0.634 0.928 0.759 CB 1.680 84 residues pruned to eliminate duplicates Z: 155 108.190 2.401 1.039 0.613 0.942 0.714 CB 1.699 155 residues pruned to eliminate duplicates Z: 59 52.647 2.284 0.827 0.602 0.897 0.741 CB 1.677 59 residues pruned to eliminate duplicates Z: 152 113.119 2.435 1.056 0.617 0.947 0.695 CB 1.738 152 residues pruned to eliminate duplicates Z: 49 45.134 2.207 0.674 0.659 0.917 0.729 CB 1.659 49 residues pruned to eliminate duplicates Z: 153 106.162 2.429 1.014 0.603 0.928 0.691 CB 1.721 153 residues pruned to eliminate duplicates Z: 48 51.056 2.213 0.841 0.684 0.957 0.702 CB 1.612 48 residues pruned to eliminate duplicates Z: 106 84.941 2.355 1.068 0.590 0.933 0.686 CB 1.673 106 residues pruned to eliminate duplicates Z: 49 49.153 2.212 0.721 0.696 0.938 0.792 CB 1.662 49 residues pruned to eliminate duplicates Z: 104 78.212 2.385 0.909 0.562 0.932 0.689 CB 1.711 104 residues pruned to eliminate duplicates Z: 46 55.876 2.287 0.786 0.722 0.978 0.844 CB 1.706 46 residues pruned to eliminate duplicates Z: 137 97.829 2.396 0.985 0.616 0.912 0.765 CB 1.733 137 residues pruned to eliminate duplicates Z: 47 52.194 2.250 0.802 0.692 0.935 0.848 CB 1.702 47 residues pruned to eliminate duplicates Z: 128 107.483 2.449 1.085 0.626 0.961 0.732 CB 1.727 128 residues pruned to eliminate duplicates Z: 48 55.427 2.257 0.863 0.697 0.936 0.809 CB 1.717 48 residues pruned to eliminate duplicates Z: 84 78.741 2.373 1.022 0.620 0.964 0.735 CB 1.668 84 residues pruned to eliminate duplicates Z: 47 54.365 2.270 0.821 0.687 0.957 0.804 CB 1.708 47 residues pruned to eliminate duplicates Z: 97 84.477 2.376 1.041 0.605 0.948 0.729 CB 1.698 97 residues pruned to eliminate duplicates Z: 34 44.607 2.186 0.730 0.727 1.000 0.848 CB 1.673 34 residues pruned to eliminate duplicates Z: 46 51.548 2.251 0.811 0.694 0.933 0.800 CB 1.691 46 residues pruned to eliminate duplicates Z: 48 49.660 2.222 0.755 0.686 0.936 0.723 CB 1.672 48 residues pruned to eliminate duplicates Z: 47 49.922 2.239 0.833 0.678 0.891 0.804 CB 1.709 47 residues pruned to eliminate duplicates Z: 98 82.449 2.354 1.013 0.590 0.959 0.753 CB 1.691 98 residues pruned to eliminate duplicates Z: 47 50.507 2.244 0.746 0.675 0.957 0.804 CB 1.692 47 residues pruned to eliminate duplicates Z: 152 111.085 2.433 1.039 0.612 0.947 0.735 CB 1.731 152 residues pruned to eliminate duplicates Z: 153 110.172 2.426 1.035 0.617 0.947 0.724 CB 1.711 153 residues pruned to eliminate duplicates Z: 86 81.868 2.402 0.974 0.662 0.941 0.718 CB 1.712 86 residues pruned to eliminate duplicates Z: 48 47.070 2.210 0.758 0.676 0.915 0.787 CB 1.643 48 residues pruned to eliminate duplicates Z: 47 57.302 2.259 0.867 0.717 0.978 0.783 CB 1.684 47 residues pruned to eliminate duplicates Z: 104 81.945 2.362 0.980 0.571 0.961 0.709 CB 1.678 104 residues pruned to eliminate duplicates Z: 85 70.453 2.349 0.916 0.591 0.940 0.714 CB 1.665 85 residues pruned to eliminate duplicates Z: 22 25.887 2.221 0.757 0.537 0.857 0.571 CB 1.629 22 residues pruned to eliminate duplicates Z: 22 31.201 2.310 0.901 0.542 0.905 0.524 CB 1.644 22 residues pruned to eliminate duplicates Z: 25 31.948 2.230 0.864 0.521 0.958 0.542 CB 1.603 25 residues pruned to eliminate duplicates Z: 31 26.793 2.036 0.828 0.467 0.900 0.467 CB 1.510 31 residues pruned to eliminate duplicates Z: 87 63.854 2.310 0.866 0.562 0.930 0.616 CB 1.617 87 residues pruned to eliminate duplicates Z: 27 27.709 2.167 0.711 0.490 0.885 0.615 CB 1.674 27 residues pruned to eliminate duplicates Z: 111 77.592 2.324 0.926 0.585 0.945 0.718 CB 1.612 111 residues pruned to eliminate duplicates Z: 23 33.219 2.294 0.832 0.581 0.909 0.682 CB 1.715 23 residues pruned to eliminate duplicates Z: 26 31.253 2.196 0.862 0.536 0.920 0.600 CB 1.603 26 residues pruned to eliminate duplicates Z: 84 62.465 2.273 0.883 0.587 0.940 0.651 CB 1.569 84 residues pruned to eliminate duplicates Z: 72 58.427 2.279 0.926 0.586 0.915 0.620 CB 1.588 72 residues pruned to eliminate duplicates Z: 25 30.556 2.167 0.814 0.528 0.958 0.625 CB 1.611 25 residues pruned to eliminate duplicates Z: 71 58.369 2.301 0.835 0.600 0.929 0.643 CB 1.618 71 residues pruned to eliminate duplicates Z: 23 30.649 2.283 0.771 0.494 0.955 0.591 CB 1.703 23 residues pruned to eliminate duplicates Z: 25 29.973 2.199 0.853 0.524 0.917 0.625 CB 1.600 25 residues pruned to eliminate duplicates Z: 87 58.749 2.266 0.783 0.540 0.953 0.605 CB 1.582 87 residues pruned to eliminate duplicates Z: 111 76.193 2.322 0.914 0.577 0.936 0.691 CB 1.621 111 residues pruned to eliminate duplicates Z: 120 77.000 2.289 0.919 0.564 0.941 0.697 CB 1.605 120 residues pruned to eliminate duplicates Z: 27 35.873 2.201 0.970 0.551 0.923 0.692 CB 1.672 27 residues pruned to eliminate duplicates Z: 24 35.703 2.254 0.847 0.558 1.000 0.739 CB 1.690 24 residues pruned to eliminate duplicates Z: 112 73.254 2.296 0.927 0.562 0.928 0.658 CB 1.595 112 residues pruned to eliminate duplicates Z: 149 84.426 2.282 0.862 0.585 0.926 0.689 CB 1.627 149 residues pruned to eliminate duplicates Z: 114 70.695 2.283 0.902 0.540 0.920 0.646 CB 1.600 114 residues pruned to eliminate duplicates Z: 149 83.343 2.271 0.865 0.564 0.932 0.669 CB 1.631 149 residues pruned to eliminate duplicates Z: 110 77.047 2.331 0.876 0.566 0.963 0.633 CB 1.643 110 residues pruned to eliminate duplicates Z: 127 72.179 2.243 0.796 0.571 0.921 0.675 CB 1.618 127 residues pruned to eliminate duplicates Z: 121 79.346 2.311 0.961 0.556 0.933 0.658 CB 1.623 121 residues pruned to eliminate duplicates Z: 122 77.334 2.293 0.911 0.572 0.934 0.694 CB 1.603 122 residues pruned to eliminate duplicates Z: 88 62.645 2.298 0.832 0.566 0.943 0.713 CB 1.589 88 residues pruned to eliminate duplicates Z: 89 62.990 2.279 0.880 0.550 0.932 0.682 CB 1.601 89 residues pruned to eliminate duplicates Z: 113 76.709 2.297 0.910 0.581 0.955 0.696 CB 1.599 113 residues pruned to eliminate duplicates Z: 111 79.712 2.319 0.991 0.580 0.945 0.664 CB 1.613 111 residues pruned to eliminate duplicates Z: 100 72.950 2.334 0.964 0.582 0.919 0.707 CB 1.609 100 residues pruned to eliminate duplicates Z: 88 60.978 2.277 0.818 0.558 0.931 0.644 CB 1.603 88 residues pruned to eliminate duplicates Z: 56 57.844 2.306 0.895 0.629 0.982 0.636 CB 1.609 56 residues pruned to eliminate duplicates Z: 111 76.108 2.304 0.950 0.573 0.936 0.664 CB 1.607 111 residues pruned to eliminate duplicates Z: 60 54.656 2.348 0.937 0.578 0.932 0.729 CB 1.557 60 residues pruned to eliminate duplicates Z: 110 80.555 2.334 1.036 0.576 0.945 0.615 CB 1.598 110 residues pruned to eliminate duplicates Z: 86 67.783 2.339 0.982 0.559 0.929 0.671 CB 1.611 86 residues pruned to eliminate duplicates Z: 123 81.086 2.295 0.956 0.606 0.926 0.672 CB 1.597 123 residues pruned to eliminate duplicates Z: 122 74.121 2.267 0.955 0.550 0.917 0.620 CB 1.578 122 residues pruned to eliminate duplicates Z: 74 70.537 2.392 1.001 0.596 0.959 0.589 CB 1.640 74 residues pruned to eliminate duplicates Z: 120 81.605 2.299 0.965 0.563 0.966 0.655 CB 1.613 120 residues pruned to eliminate duplicates Z: 85 61.483 2.306 0.969 0.555 0.905 0.595 CB 1.547 85 residues pruned to eliminate duplicates Z: 61 58.713 2.342 1.007 0.585 0.950 0.667 CB 1.564 61 residues pruned to eliminate duplicates Z: 46 52.691 2.308 1.051 0.624 0.978 0.622 CB 1.510 46 residues pruned to eliminate duplicates Z: 72 60.555 2.282 0.978 0.584 0.930 0.634 CB 1.580 72 residues pruned to eliminate duplicates Z: 150 85.712 2.278 0.903 0.565 0.940 0.651 CB 1.619 150 residues pruned to eliminate duplicates Z: 113 75.898 2.290 0.980 0.547 0.946 0.661 CB 1.596 113 residues pruned to eliminate duplicates Z: 113 78.660 2.280 0.983 0.570 0.955 0.661 CB 1.609 113 residues pruned to eliminate duplicates Z: 88 65.950 2.266 1.032 0.549 0.931 0.609 CB 1.573 88 residues pruned to eliminate duplicates Z: 84 72.533 2.372 1.090 0.575 0.928 0.663 CB 1.610 84 residues pruned to eliminate duplicates Z: 102 77.907 2.323 1.071 0.581 0.921 0.634 CB 1.619 102 residues pruned to eliminate duplicates Z: 85 64.577 2.321 0.967 0.563 0.917 0.643 CB 1.584 85 residues pruned to eliminate duplicates Z: 68 49.090 2.174 0.954 0.525 0.940 0.567 CB 1.465 68 residues pruned to eliminate duplicates Z: 113 77.043 2.298 1.002 0.561 0.938 0.616 CB 1.591 113 residues pruned to eliminate duplicates Z: 71 62.148 2.299 1.024 0.589 0.914 0.571 CB 1.604 71 residues pruned to eliminate duplicates Z: 111 69.385 2.247 0.912 0.572 0.927 0.645 CB 1.550 111 residues pruned to eliminate duplicates Z: 70 54.554 2.263 0.993 0.491 0.928 0.623 CB 1.584 70 residues pruned to eliminate duplicates Z: 133 76.803 2.233 0.935 0.584 0.932 0.727 CB 1.532 133 residues pruned to eliminate duplicates Z: 150 88.081 2.277 0.902 0.585 0.960 0.671 CB 1.600 150 residues pruned to eliminate duplicates Z: 108 71.078 2.268 1.010 0.531 0.935 0.636 CB 1.564 108 residues pruned to eliminate duplicates Z: 65 49.247 2.258 0.966 0.480 0.922 0.656 CB 1.534 65 residues pruned to eliminate duplicates Z: 31 28.616 2.285 0.876 0.454 0.833 0.500 CB 1.533 31 residues pruned to eliminate duplicates Z: 150 84.331 2.275 0.911 0.574 0.919 0.691 CB 1.609 150 residues pruned to eliminate duplicates Z: 120 81.262 2.317 0.998 0.566 0.933 0.622 CB 1.619 120 residues pruned to eliminate duplicates Z: 113 81.251 2.301 1.047 0.583 0.946 0.705 CB 1.590 113 residues pruned to eliminate duplicates Z: 98 65.743 2.263 0.887 0.559 0.928 0.691 CB 1.591 98 residues pruned to eliminate duplicates Z: 97 61.900 2.257 0.979 0.534 0.906 0.708 CB 1.510 97 residues pruned to eliminate duplicates Z: 98 65.101 2.257 0.859 0.554 0.938 0.680 CB 1.593 98 residues pruned to eliminate duplicates Z: 150 87.831 2.267 0.921 0.585 0.946 0.732 CB 1.609 150 residues pruned to eliminate duplicates Z: 112 75.797 2.308 0.991 0.555 0.937 0.640 CB 1.584 112 residues pruned to eliminate duplicates Z: 88 65.314 2.287 0.958 0.573 0.943 0.713 CB 1.546 88 residues pruned to eliminate duplicates Z: 114 72.558 2.282 0.983 0.547 0.929 0.699 CB 1.550 114 residues pruned to eliminate duplicates Z: 80 55.783 2.254 0.964 0.532 0.924 0.696 CB 1.486 80 residues pruned to eliminate duplicates Z: 40 29.281 2.160 0.804 0.425 0.897 0.641 CB 1.449 40 residues pruned to eliminate duplicates Z: 121 85.738 2.309 1.068 0.570 0.950 0.675 CB 1.612 121 residues pruned to eliminate duplicates Z: 91 71.220 2.260 0.979 0.591 0.944 0.744 CB 1.629 88 residues pruned to eliminate duplicates Z: 6 9.929 1.777 1.487 0.313 1.000 1.000 C 1.236 6 residues pruned to eliminate duplicates Z: 36 30.377 2.252 0.858 0.442 0.886 0.686 CB 1.471 36 residues pruned to eliminate duplicates Z: 98 62.640 2.253 0.849 0.522 0.938 0.701 CB 1.592 98 residues pruned to eliminate duplicates Z: 48 51.767 2.357 1.027 0.554 0.894 0.702 CB 1.678 48 residues pruned to eliminate duplicates Z: 89 72.229 2.312 1.089 0.585 0.943 0.693 CB 1.558 89 residues pruned to eliminate duplicates Z: 93 63.631 2.221 0.906 0.562 0.946 0.609 CB 1.559 93 residues pruned to eliminate duplicates Z: 43 44.571 2.242 1.063 0.528 0.905 0.619 CB 1.598 43 residues pruned to eliminate duplicates Z: 113 76.087 2.299 0.958 0.570 0.946 0.661 CB 1.577 113 residues pruned to eliminate duplicates Z: 60 49.831 2.307 0.999 0.501 0.915 0.678 CB 1.536 60 residues pruned to eliminate duplicates Z: 58 52.975 2.336 1.025 0.526 0.895 0.684 CB 1.617 58 residues pruned to eliminate duplicates Z: 150 87.770 2.278 0.928 0.589 0.940 0.698 CB 1.599 150 residues pruned to eliminate duplicates Z: 60 48.917 2.312 0.903 0.500 0.915 0.627 CB 1.581 60 residues pruned to eliminate duplicates Z: 25 35.704 2.257 0.984 0.574 0.917 0.750 CB 1.653 25 residues pruned to eliminate duplicates Z: 30 34.835 2.245 1.031 0.495 0.897 0.724 CB 1.590 30 residues pruned to eliminate duplicates Z: 151 85.657 2.265 0.897 0.580 0.940 0.687 CB 1.603 151 residues pruned to eliminate duplicates Z: 86 70.206 2.343 1.085 0.587 0.906 0.706 CB 1.583 86 residues pruned to eliminate duplicates Z: 19 23.833 2.097 0.925 0.467 0.944 0.722 CB 1.525 19 residues pruned to eliminate duplicates Z: 151 85.238 2.269 0.896 0.575 0.940 0.667 CB 1.601 151 residues pruned to eliminate duplicates Z: 104 67.150 2.276 0.985 0.534 0.932 0.650 CB 1.519 104 residues pruned to eliminate duplicates Z: 114 71.659 2.271 0.977 0.544 0.938 0.628 CB 1.534 114 residues pruned to eliminate duplicates Z: 143 74.586 2.248 0.878 0.553 0.908 0.676 CB 1.550 143 residues pruned to eliminate duplicates Z: 85 74.331 2.346 1.093 0.599 0.952 0.690 CB 1.578 85 residues pruned to eliminate duplicates Z: 110 76.359 2.332 0.973 0.565 0.936 0.661 CB 1.596 110 residues pruned to eliminate duplicates Z: 59 48.901 2.336 0.943 0.494 0.897 0.690 CB 1.588 59 residues pruned to eliminate duplicates Z: 18 29.365 2.167 1.171 0.518 0.882 0.647 CA 1.686 18 residues pruned to eliminate duplicates Z: 10 10.822 2.044 0.671 0.312 0.778 0.556 CB 1.672 10 residues pruned to eliminate duplicates Z: 9 17.071 2.175 0.797 0.426 1.000 0.750 CB 1.668 9 residues pruned to eliminate duplicates Z: 11 10.920 2.056 0.587 0.338 0.900 0.400 CB 1.404 11 residues pruned to eliminate duplicates Z: 23 16.678 2.020 0.647 0.417 0.909 0.545 CB 1.282 23 residues pruned to eliminate duplicates Z: 63 55.575 2.253 0.885 0.563 0.935 0.694 CB 1.671 62 residues pruned to eliminate duplicates Z: 6 4.926 1.570 0.512 0.358 1.000 0.800 C 1.081 6 residues pruned to eliminate duplicates Z: 42 44.188 2.102 0.804 0.648 0.976 0.756 CB 1.625 42 residues pruned to eliminate duplicates Z: 7 4.322 1.490 1.504 0.281 0.667 0.167 C 0.909 7 residues pruned to eliminate duplicates Z: 78 61.998 2.269 0.867 0.586 0.935 0.727 CB 1.643 78 residues pruned to eliminate duplicates Z: 115 70.459 2.272 0.888 0.560 0.930 0.754 CB 1.562 115 residues pruned to eliminate duplicates Z: 10 18.412 2.205 0.845 0.610 0.889 0.889 CA 1.530 10 residues pruned to eliminate duplicates Z: 151 84.314 2.253 0.925 0.566 0.960 0.693 CB 1.551 151 residues pruned to eliminate duplicates Z: 55 43.992 2.122 0.737 0.570 0.963 0.667 CB 1.576 55 residues pruned to eliminate duplicates Z: 47 44.391 2.162 0.761 0.604 0.957 0.717 CB 1.628 47 residues pruned to eliminate duplicates Z: 41 44.061 2.146 0.843 0.624 0.975 0.675 CB 1.607 41 residues pruned to eliminate duplicates Z: 7 5.852 1.468 0.492 0.454 1.000 0.500 CA 1.144 7 residues pruned to eliminate duplicates Z: 150 85.291 2.274 0.931 0.572 0.933 0.664 CB 1.591 150 residues pruned to eliminate duplicates Z: 150 87.387 2.271 0.946 0.586 0.946 0.705 CB 1.576 150 residues pruned to eliminate duplicates Z: 54 40.316 2.143 0.727 0.548 0.887 0.679 CB 1.610 54 residues pruned to eliminate duplicates Z: 29 37.101 2.140 0.766 0.687 0.964 0.679 CB 1.621 29 residues pruned to eliminate duplicates Z: 43 40.121 2.121 0.737 0.630 0.929 0.714 CB 1.602 43 residues pruned to eliminate duplicates Z: 47 42.808 2.167 0.740 0.610 0.913 0.761 CB 1.652 47 residues pruned to eliminate duplicates Z: 29 34.276 2.136 0.641 0.678 0.964 0.714 CB 1.627 29 residues pruned to eliminate duplicates Z: 29 35.273 2.116 0.656 0.696 1.000 0.750 CB 1.591 29 residues pruned to eliminate duplicates Z: 49 46.813 2.139 0.860 0.599 0.958 0.812 CB 1.613 49 residues pruned to eliminate duplicates Z: 29 32.371 2.146 0.664 0.643 0.929 0.786 CB 1.615 29 residues pruned to eliminate duplicates Z: 43 39.671 2.126 0.726 0.609 0.976 0.738 CB 1.542 43 residues pruned to eliminate duplicates Z: 41 37.822 2.112 0.807 0.592 0.900 0.750 CB 1.594 41 residues pruned to eliminate duplicates Z: 41 40.209 2.145 0.735 0.629 0.975 0.725 CB 1.552 41 residues pruned to eliminate duplicates Z: 42 40.572 2.123 0.783 0.585 0.951 0.756 CB 1.622 42 residues pruned to eliminate duplicates Z: 40 41.236 2.162 0.781 0.609 0.949 0.769 CB 1.630 40 residues pruned to eliminate duplicates Z: 40 38.493 2.171 0.684 0.623 0.949 0.744 CB 1.583 40 residues pruned to eliminate duplicates Z: 94 64.501 2.245 0.839 0.579 0.935 0.753 CB 1.606 94 residues pruned to eliminate duplicates Z: 123 79.664 2.299 0.945 0.593 0.934 0.705 CB 1.579 123 residues pruned to eliminate duplicates Z: 29 36.489 2.133 0.650 0.719 1.000 0.821 CB 1.608 29 residues pruned to eliminate duplicates Z: 41 40.697 2.155 0.732 0.644 0.950 0.800 CB 1.586 41 residues pruned to eliminate duplicates Z: 98 62.600 2.260 0.801 0.528 0.948 0.701 CB 1.602 98 residues pruned to eliminate duplicates Z: 18 19.770 1.904 0.657 0.602 1.000 0.765 CB 1.379 18 residues pruned to eliminate duplicates Z: 18 18.437 1.869 0.698 0.517 0.941 0.647 CB 1.472 18 residues pruned to eliminate duplicates Z: 18 16.649 1.966 0.496 0.518 0.882 0.647 CB 1.527 18 residues pruned to eliminate duplicates Z: 17 19.535 1.961 0.631 0.564 0.938 0.562 CB 1.532 17 residues pruned to eliminate duplicates Z: 7 8.126 1.713 0.417 0.634 1.000 0.667 CA 1.205 7 residues pruned to eliminate duplicates Z: 17 18.307 1.953 0.612 0.531 0.938 0.688 CB 1.504 17 residues pruned to eliminate duplicates Z: 18 18.752 1.883 0.687 0.530 0.941 0.529 CB 1.476 17 residues pruned to eliminate duplicates Z: 9 8.896 1.813 0.481 0.482 0.875 0.625 CA 1.364 9 residues pruned to eliminate duplicates Z: 17 17.284 1.944 0.535 0.553 0.938 0.625 CB 1.467 17 residues pruned to eliminate duplicates Z: 18 17.382 1.870 0.600 0.525 0.941 0.588 CB 1.460 18 residues pruned to eliminate duplicates Z: 17 17.105 1.940 0.590 0.555 0.875 0.625 CB 1.502 18 residues pruned to eliminate duplicates Z: 24 43.906 2.333 0.702 0.900 1.000 0.957 CB 1.648 24 residues pruned to eliminate duplicates Z: 39 50.101 2.360 0.786 0.657 0.974 0.737 CB 1.712 39 residues pruned to eliminate duplicates Z: 75 63.741 2.265 0.896 0.623 0.959 0.649 CB 1.602 75 residues pruned to eliminate duplicates Z: 107 65.684 2.196 0.887 0.607 0.925 0.689 CB 1.505 107 residues pruned to eliminate duplicates Z: 22 44.319 2.343 0.738 0.940 1.000 0.905 CB 1.650 22 residues pruned to eliminate duplicates Z: 107 69.731 2.204 0.920 0.602 0.953 0.708 CB 1.524 107 residues pruned to eliminate duplicates Z: 27 43.025 2.287 0.827 0.783 0.962 0.808 CB 1.638 27 residues pruned to eliminate duplicates Z: 39 55.630 2.371 0.937 0.669 0.974 0.789 CB 1.726 39 residues pruned to eliminate duplicates Z: 106 69.283 2.210 0.926 0.599 0.933 0.705 CB 1.548 106 residues pruned to eliminate duplicates Z: 75 65.061 2.237 0.968 0.625 0.959 0.716 CB 1.592 75 residues pruned to eliminate duplicates Z: 106 68.946 2.207 0.943 0.594 0.943 0.676 CB 1.522 106 residues pruned to eliminate duplicates Z: 24 51.887 2.378 0.978 0.876 0.957 0.957 CB 1.747 24 residues pruned to eliminate duplicates Z: 44 50.194 2.232 0.887 0.666 0.953 0.628 CB 1.635 44 residues pruned to eliminate duplicates Z: 21 58.584 2.368 1.227 0.930 1.000 0.850 CB 1.737 25 residues pruned to eliminate duplicates Z: 22 54.113 2.349 1.123 0.936 1.000 0.952 CB 1.648 22 residues pruned to eliminate duplicates Z: 105 69.985 2.205 0.899 0.605 0.971 0.712 CB 1.527 105 residues pruned to eliminate duplicates Z: 74 65.098 2.275 0.956 0.620 0.945 0.658 CB 1.617 74 residues pruned to eliminate duplicates Z: 107 70.848 2.201 0.975 0.594 0.953 0.717 CB 1.519 103 residues pruned to eliminate duplicates Z: 22 50.934 2.347 1.015 0.951 1.000 0.952 CB 1.619 22 residues pruned to eliminate duplicates Z: 44 54.763 2.251 0.997 0.656 0.977 0.744 CB 1.645 44 residues pruned to eliminate duplicates Z: 42 53.922 2.280 0.976 0.654 0.976 0.707 CB 1.660 42 residues pruned to eliminate duplicates Z: 107 66.107 2.187 0.939 0.584 0.925 0.708 CB 1.511 107 residues pruned to eliminate duplicates Z: 74 66.542 2.277 0.970 0.632 0.959 0.712 CB 1.600 74 residues pruned to eliminate duplicates Z: 43 51.562 2.300 0.904 0.661 0.952 0.738 CB 1.642 43 residues pruned to eliminate duplicates Z: 74 65.551 2.268 0.987 0.628 0.959 0.658 CB 1.574 74 residues pruned to eliminate duplicates Z: 57 51.762 2.267 0.839 0.644 0.929 0.732 CB 1.562 57 residues pruned to eliminate duplicates Z: 82 51.499 2.158 0.878 0.519 0.926 0.654 CB 1.497 82 residues pruned to eliminate duplicates Z: 44 48.828 2.205 1.001 0.601 0.977 0.628 CB 1.569 44 residues pruned to eliminate duplicates Z: 48 50.669 2.273 1.004 0.539 0.957 0.638 CB 1.632 48 residues pruned to eliminate duplicates Z: 80 51.323 2.178 0.913 0.527 0.911 0.633 CB 1.481 80 residues pruned to eliminate duplicates Z: 6 5.305 1.735 0.811 0.286 0.800 0.200 CB 1.201 6 residues pruned to eliminate duplicates Z: 105 68.896 2.216 0.944 0.608 0.933 0.692 CB 1.518 105 residues pruned to eliminate duplicates Z: 106 66.509 2.197 0.908 0.598 0.924 0.676 CB 1.526 106 residues pruned to eliminate duplicates Z: 18 21.051 2.232 0.717 0.422 0.941 0.471 CB 1.535 18 residues pruned to eliminate duplicates Z: 43 53.182 2.241 1.009 0.665 0.976 0.762 CB 1.602 43 residues pruned to eliminate duplicates Z: 104 66.832 2.189 0.961 0.592 0.942 0.660 CB 1.491 104 residues pruned to eliminate duplicates Z: 50 42.848 2.206 0.913 0.526 0.918 0.571 CB 1.539 50 residues pruned to eliminate duplicates Z: 82 60.090 2.198 0.907 0.610 0.926 0.654 CB 1.550 82 residues pruned to eliminate duplicates Z: 59 51.690 2.219 0.931 0.636 0.931 0.638 CB 1.498 59 residues pruned to eliminate duplicates Z: 52 43.154 2.183 0.975 0.524 0.922 0.627 CB 1.486 52 residues pruned to eliminate duplicates Z: 64 48.640 2.145 0.997 0.574 0.937 0.651 CB 1.423 64 residues pruned to eliminate duplicates Z: 73 64.318 2.278 0.979 0.635 0.944 0.708 CB 1.569 73 residues pruned to eliminate duplicates Z: 58 53.910 2.243 0.999 0.627 0.930 0.614 CB 1.520 58 residues pruned to eliminate duplicates Z: 82 56.068 2.167 1.010 0.536 0.926 0.667 CB 1.491 82 residues pruned to eliminate duplicates Z: 6 2.891 1.360 0.259 0.455 1.000 0.800 CA 0.791 6 residues pruned to eliminate duplicates Z: 65 43.969 2.141 0.895 0.538 0.906 0.625 CB 1.440 65 residues pruned to eliminate duplicates Z: 64 52.024 2.149 1.070 0.578 0.937 0.714 CB 1.459 64 residues pruned to eliminate duplicates Z: 62 47.461 2.149 0.984 0.564 0.934 0.721 CB 1.434 62 residues pruned to eliminate duplicates Z: 40 40.031 2.142 0.951 0.549 0.949 0.667 CB 1.542 40 residues pruned to eliminate duplicates Z: 30 43.755 2.298 1.109 0.595 0.966 0.724 CB 1.586 30 residues pruned to eliminate duplicates Z: 42 38.338 2.097 1.007 0.548 0.927 0.683 CB 1.465 42 residues pruned to eliminate duplicates Z: 63 45.680 2.166 0.922 0.533 0.919 0.629 CB 1.467 63 residues pruned to eliminate duplicates Z: 62 48.422 2.165 0.951 0.587 0.951 0.656 CB 1.421 62 residues pruned to eliminate duplicates Z: 6 3.545 1.609 0.316 0.344 0.800 0.400 CA 1.109 6 residues pruned to eliminate duplicates Z: 31 42.287 2.271 1.131 0.581 0.967 0.600 CB 1.526 31 residues pruned to eliminate duplicates Z: 64 45.763 2.152 0.889 0.544 0.937 0.683 CB 1.450 64 residues pruned to eliminate duplicates Z: 64 49.630 2.167 0.993 0.564 0.937 0.746 CB 1.454 64 residues pruned to eliminate duplicates Z: 32 39.700 2.268 1.080 0.567 0.935 0.645 CB 1.514 32 residues pruned to eliminate duplicates Z: 50 41.198 2.109 0.898 0.545 0.959 0.653 CB 1.466 50 residues pruned to eliminate duplicates Z: 32 40.132 2.245 1.151 0.551 0.935 0.613 CB 1.518 32 residues pruned to eliminate duplicates Z: 65 40.596 2.105 0.901 0.506 0.953 0.625 CB 1.322 65 residues pruned to eliminate duplicates Z: 62 44.324 2.171 0.913 0.530 0.902 0.607 CB 1.472 62 residues pruned to eliminate duplicates Z: 33 37.459 2.227 1.037 0.562 0.906 0.625 CB 1.518 33 residues pruned to eliminate duplicates Z: 13 23.645 2.168 0.754 0.583 1.000 0.500 CB 1.657 13 residues pruned to eliminate duplicates Z: 64 39.573 2.122 0.948 0.503 0.889 0.651 CB 1.353 64 residues pruned to eliminate duplicates Z: 64 44.361 2.137 0.909 0.554 0.921 0.714 CB 1.412 64 residues pruned to eliminate duplicates Z: 38 30.708 2.150 0.864 0.477 0.919 0.649 CB 1.403 38 residues pruned to eliminate duplicates Z: 51 40.368 2.130 0.926 0.505 0.960 0.680 CB 1.442 51 residues pruned to eliminate duplicates Z: 64 43.887 2.143 0.943 0.503 0.952 0.683 CB 1.390 64 residues pruned to eliminate duplicates Z: 49 41.956 2.138 0.931 0.543 0.938 0.667 CB 1.500 49 residues pruned to eliminate duplicates Z: 38 40.795 2.166 0.973 0.522 0.973 0.649 CB 1.577 38 residues pruned to eliminate duplicates Z: 65 44.279 2.137 0.882 0.515 0.938 0.688 CB 1.445 65 residues pruned to eliminate duplicates Z: 33 26.800 2.025 0.814 0.505 0.969 0.688 CB 1.324 33 residues pruned to eliminate duplicates Z: 32 24.028 2.017 0.719 0.493 0.935 0.548 CB 1.339 32 residues pruned to eliminate duplicates Z: 63 48.880 2.156 1.008 0.574 0.935 0.710 CB 1.427 63 residues pruned to eliminate duplicates Z: 62 45.199 2.163 0.925 0.533 0.951 0.672 CB 1.415 62 residues pruned to eliminate duplicates Z: 64 47.201 2.142 1.019 0.548 0.921 0.698 CB 1.425 63 residues pruned to eliminate duplicates Z: 6 4.843 1.673 0.936 0.401 1.000 0.600 CA 0.742 6 residues pruned to eliminate duplicates Z: 63 49.341 2.172 0.981 0.582 0.935 0.742 CB 1.439 63 residues pruned to eliminate duplicates Z: 27 26.348 2.007 0.918 0.601 0.923 0.654 CB 1.321 27 residues pruned to eliminate duplicates Z: 6 4.017 1.624 0.664 0.312 0.800 0.800 CA 1.024 6 residues pruned to eliminate duplicates Z: 63 49.885 2.134 0.993 0.580 0.952 0.742 CB 1.449 63 residues pruned to eliminate duplicates Z: 38 24.427 1.968 0.796 0.524 0.892 0.676 CB 1.244 38 residues pruned to eliminate duplicates Z: 65 39.292 2.118 0.823 0.536 0.875 0.688 CB 1.404 65 residues pruned to eliminate duplicates Z: 55 41.201 2.168 0.945 0.482 0.926 0.630 CB 1.462 55 residues pruned to eliminate duplicates Z: 28 25.970 2.035 0.909 0.550 0.963 0.704 CB 1.273 28 residues pruned to eliminate duplicates Z: 35 25.832 1.986 0.818 0.522 0.912 0.647 CB 1.316 35 residues pruned to eliminate duplicates Z: 83 48.391 2.153 0.836 0.497 0.951 0.634 CB 1.425 83 residues pruned to eliminate duplicates Z: 64 45.187 2.139 0.942 0.534 0.921 0.651 CB 1.439 63 residues pruned to eliminate duplicates Z: 13 10.900 1.719 0.227 0.872 1.000 0.833 CB 1.087 13 residues pruned to eliminate duplicates Z: 15 12.245 1.634 0.357 0.861 1.000 0.714 CB 1.085 15 residues pruned to eliminate duplicates Z: 14 13.731 1.714 0.382 0.880 1.000 0.692 CB 1.165 14 residues pruned to eliminate duplicates Z: 14 11.826 1.687 0.259 0.867 1.000 0.769 CB 1.130 14 residues pruned to eliminate duplicates Z: 14 12.423 1.687 0.342 0.850 1.000 0.692 CB 1.128 14 residues pruned to eliminate duplicates Z: 13 14.464 1.755 0.465 0.893 1.000 0.583 CB 1.166 14 residues pruned to eliminate duplicates Z: 15 13.124 1.638 0.422 0.880 1.000 0.643 CB 1.091 14 residues pruned to eliminate duplicates Z: 16 11.934 1.541 0.443 0.872 1.000 0.733 CB 1.011 16 residues pruned to eliminate duplicates Z: 13 13.586 1.750 0.420 0.871 1.000 0.917 CB 1.150 13 residues pruned to eliminate duplicates Z: 14 14.935 1.706 0.522 0.883 1.000 0.769 CB 1.153 15 residues pruned to eliminate duplicates Z: 15 15.337 1.639 0.585 0.887 1.000 0.857 CB 1.138 14 residues pruned to eliminate duplicates Z: 14 14.687 1.672 0.520 0.877 1.000 0.615 CB 1.164 14 residues pruned to eliminate duplicates Z: 15 14.058 1.604 0.534 0.883 1.000 0.857 CB 1.104 15 residues pruned to eliminate duplicates 443 residues left after pruning, divided into chains as follows: A: 302 B: 18 C: 107 D: 16 CC for partial structure against native data = 47.09 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.791 for dens.mod. cycle 1 = 0.300, Contrast = 0.631, Connect. = 0.812 for dens.mod. cycle 2 = 0.300, Contrast = 0.754, Connect. = 0.831 for dens.mod. cycle 3 = 0.300, Contrast = 0.767, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.781, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.787, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.794, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.797, Connect. = 0.836 for dens.mod. cycle 8 = 0.300, Contrast = 0.799, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.801, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2341 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 531 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 53.581 2.636 0.768 0.944 1.000 0.905 CB 1.738 B: 22 50.980 2.647 0.705 0.935 0.952 0.857 CB 1.803 22 residues pruned to eliminate duplicates C: 22 43.188 2.623 0.457 0.921 0.952 0.952 CB 1.823 22 residues pruned to eliminate duplicates D: 22 53.562 2.629 0.896 0.906 0.952 0.810 CB 1.751 22 residues pruned to eliminate duplicates E: 23 45.501 2.513 0.666 0.905 1.000 0.864 CB 1.650 23 residues pruned to eliminate duplicates F: 21 64.791 2.713 1.073 0.946 0.950 0.850 CB 1.875 22 residues pruned to eliminate duplicates G: 21 38.397 2.175 0.739 0.923 1.000 0.900 CB 1.596 H: 22 60.062 2.599 0.996 0.943 1.000 0.905 CB 1.751 22 residues pruned to eliminate duplicates I: 22 66.716 2.625 1.232 0.948 1.000 0.857 CB 1.716 21 residues pruned to eliminate duplicates J: 22 68.150 2.654 1.151 0.940 1.000 0.857 CB 1.810 22 residues pruned to eliminate duplicates K: 23 56.416 2.549 1.063 0.920 0.955 0.864 CB 1.687 23 residues pruned to eliminate duplicates L: 22 46.422 2.344 0.850 0.948 1.000 0.952 CB 1.614 M: 21 55.828 2.699 0.706 0.953 1.000 0.900 CB 1.865 21 residues pruned to eliminate duplicates N: 21 58.818 2.512 1.108 0.940 1.000 0.900 CB 1.725 O: 22 56.890 2.605 0.963 0.923 0.952 0.857 CB 1.791 22 residues pruned to eliminate duplicates P: 22 65.292 2.640 1.139 0.940 1.000 0.857 CB 1.753 22 residues pruned to eliminate duplicates Q: 22 52.600 2.637 0.689 0.942 1.000 0.905 CB 1.787 22 residues pruned to eliminate duplicates R: 20 30.671 2.214 0.593 0.868 0.895 0.842 CB 1.630 20 residues pruned to eliminate duplicates S: 22 41.710 2.150 0.850 0.911 1.000 0.810 CB 1.623 21 residues pruned to eliminate duplicates T: 22 48.480 2.327 1.025 0.949 1.000 0.952 CB 1.550 22 residues pruned to eliminate duplicates U: 22 55.558 2.635 0.772 0.956 1.000 1.000 CB 1.782 22 residues pruned to eliminate duplicates V: 22 65.365 2.631 1.099 0.939 1.000 0.952 CB 1.795 22 residues pruned to eliminate duplicates W: 22 59.023 2.624 1.082 0.902 0.952 0.762 CB 1.765 22 residues pruned to eliminate duplicates X: 22 69.695 2.643 1.223 0.954 1.000 0.952 CB 1.781 22 residues pruned to eliminate duplicates Y: 22 39.064 2.319 0.615 0.955 1.000 0.952 CB 1.564 22 residues pruned to eliminate duplicates Z: 22 37.519 2.150 0.686 0.929 1.000 0.905 CB 1.581 22 residues pruned to eliminate duplicates Z: 105 82.231 2.386 0.966 0.593 0.923 0.712 CB 1.704 22 residues pruned to eliminate duplicates Z: 22 48.799 2.338 0.962 0.939 1.000 0.762 CB 1.613 22 residues pruned to eliminate duplicates Z: 21 59.505 2.506 1.167 0.939 1.000 0.750 CB 1.702 21 residues pruned to eliminate duplicates Z: 32 52.312 2.405 1.249 0.595 0.935 0.806 CB 1.695 32 residues pruned to eliminate duplicates Z: 21 64.217 2.519 1.288 0.952 1.000 0.900 CB 1.716 21 residues pruned to eliminate duplicates Z: 22 51.070 2.345 1.074 0.931 1.000 0.905 CB 1.601 22 residues pruned to eliminate duplicates Z: 21 48.607 2.507 0.759 0.930 1.000 0.900 CB 1.722 21 residues pruned to eliminate duplicates Z: 22 40.458 2.337 0.649 0.933 1.000 0.857 CB 1.599 22 residues pruned to eliminate duplicates Z: 22 70.172 2.632 1.250 0.955 1.000 0.857 CB 1.777 22 residues pruned to eliminate duplicates Z: 28 34.486 2.198 0.645 0.664 0.963 0.815 CB 1.637 Z: 153 104.092 2.425 0.987 0.591 0.934 0.704 CB 1.719 127 residues pruned to eliminate duplicates Z: 21 50.253 2.377 0.870 0.944 1.000 1.000 CB 1.750 21 residues pruned to eliminate duplicates Z: 22 46.730 2.326 0.952 0.931 1.000 0.714 CB 1.570 22 residues pruned to eliminate duplicates Z: 39 39.778 2.154 1.021 0.566 0.921 0.711 CB 1.510 Z: 25 33.154 2.232 0.790 0.542 0.958 0.625 CB 1.697 Z: 21 59.395 2.486 1.186 0.899 0.950 0.750 CB 1.839 21 residues pruned to eliminate duplicates Z: 71 73.350 2.376 1.020 0.624 0.943 0.757 CB 1.723 71 residues pruned to eliminate duplicates Z: 14 32.709 2.449 1.058 0.540 1.000 0.538 CB 1.732 14 residues pruned to eliminate duplicates Z: 33 34.543 2.205 0.958 0.546 0.906 0.562 CB 1.492 33 residues pruned to eliminate duplicates Z: 58 69.322 2.524 0.843 0.623 0.965 0.789 CB 1.822 58 residues pruned to eliminate duplicates Z: 20 69.406 2.567 1.358 0.955 1.000 0.789 CB 1.808 21 residues pruned to eliminate duplicates Z: 21 61.953 2.521 1.237 0.932 1.000 0.900 CB 1.715 21 residues pruned to eliminate duplicates Z: 58 66.205 2.500 0.929 0.628 0.930 0.702 CB 1.734 58 residues pruned to eliminate duplicates Z: 21 45.272 2.501 0.633 0.949 1.000 0.950 CB 1.710 21 residues pruned to eliminate duplicates Z: 47 47.639 2.261 0.623 0.690 0.935 0.783 CB 1.721 47 residues pruned to eliminate duplicates Z: 60 48.174 2.284 0.911 0.480 0.932 0.644 CB 1.573 Z: 28 36.791 2.210 0.962 0.572 0.889 0.667 CB 1.712 28 residues pruned to eliminate duplicates Z: 29 31.049 2.128 0.560 0.661 0.964 0.714 CB 1.579 28 residues pruned to eliminate duplicates Z: 21 53.680 2.509 0.898 0.951 1.000 0.900 CB 1.738 21 residues pruned to eliminate duplicates Z: 20 55.989 2.565 0.899 0.951 1.000 0.895 CB 1.816 20 residues pruned to eliminate duplicates Z: 112 73.272 2.290 0.926 0.565 0.937 0.667 CB 1.579 105 residues pruned to eliminate duplicates Z: 30 38.812 2.260 0.993 0.580 1.000 0.690 CB 1.482 30 residues pruned to eliminate duplicates Z: 152 105.890 2.436 0.895 0.620 0.947 0.728 CB 1.760 153 residues pruned to eliminate duplicates Z: 13 21.502 2.012 1.187 0.664 0.833 0.750 CA 1.454 Z: 20 59.450 2.577 0.961 0.962 1.000 1.000 CB 1.847 20 residues pruned to eliminate duplicates Z: 20 50.790 2.413 0.845 0.949 1.000 0.842 CB 1.806 21 residues pruned to eliminate duplicates Z: 62 52.860 2.296 1.016 0.499 0.918 0.672 CB 1.595 63 residues pruned to eliminate duplicates Z: 63 42.580 2.143 0.921 0.525 0.919 0.613 CB 1.393 39 residues pruned to eliminate duplicates Z: 63 45.280 2.160 0.945 0.545 0.919 0.645 CB 1.424 63 residues pruned to eliminate duplicates Z: 21 48.261 2.339 0.943 0.913 1.000 0.800 CB 1.681 21 residues pruned to eliminate duplicates Z: 20 48.745 2.423 0.714 0.948 1.000 0.947 CB 1.860 20 residues pruned to eliminate duplicates Z: 64 44.178 2.140 0.968 0.549 0.889 0.683 CB 1.417 64 residues pruned to eliminate duplicates Z: 153 104.441 2.421 1.002 0.599 0.928 0.691 CB 1.715 153 residues pruned to eliminate duplicates Z: 23 25.396 2.073 0.224 0.908 1.000 0.773 CB 1.516 23 residues pruned to eliminate duplicates Z: 152 111.874 2.447 1.026 0.613 0.947 0.742 CB 1.743 152 residues pruned to eliminate duplicates Z: 152 110.809 2.447 0.989 0.617 0.954 0.715 CB 1.739 152 residues pruned to eliminate duplicates Z: 24 35.896 2.261 0.923 0.571 0.957 0.478 CB 1.680 24 residues pruned to eliminate duplicates Z: 22 47.675 2.335 0.953 0.955 1.000 0.810 CB 1.568 22 residues pruned to eliminate duplicates Z: 154 106.152 2.423 0.964 0.616 0.935 0.719 CB 1.729 154 residues pruned to eliminate duplicates Z: 14 15.717 1.923 0.878 0.475 0.846 0.615 CB 1.464 13 residues pruned to eliminate duplicates Z: 20 17.971 2.115 0.492 0.379 0.947 0.421 CB 1.568 Z: 112 81.771 2.326 0.992 0.573 0.955 0.775 CB 1.635 113 residues pruned to eliminate duplicates Z: 21 55.481 2.373 1.136 0.947 1.000 0.750 CB 1.691 22 residues pruned to eliminate duplicates Z: 77 54.744 2.206 0.860 0.552 0.934 0.605 CB 1.557 83 residues pruned to eliminate duplicates Z: 29 32.341 2.132 0.573 0.670 0.964 0.821 CB 1.615 29 residues pruned to eliminate duplicates Z: 62 45.613 2.150 0.913 0.584 0.934 0.689 CB 1.402 62 residues pruned to eliminate duplicates Z: 63 41.648 2.131 0.902 0.505 0.919 0.581 CB 1.412 63 residues pruned to eliminate duplicates Z: 63 43.802 2.152 0.940 0.538 0.903 0.661 CB 1.422 63 residues pruned to eliminate duplicates Z: 102 95.206 2.465 1.141 0.593 0.950 0.713 CB 1.729 102 residues pruned to eliminate duplicates Z: 31 52.075 2.494 1.283 0.561 0.900 0.667 CB 1.748 31 residues pruned to eliminate duplicates Z: 50 37.119 2.105 0.767 0.552 0.939 0.673 CB 1.443 50 residues pruned to eliminate duplicates Z: 26 31.870 2.165 0.759 0.536 0.960 0.600 CB 1.683 25 residues pruned to eliminate duplicates Z: 64 43.999 2.140 0.940 0.558 0.889 0.714 CB 1.420 64 residues pruned to eliminate duplicates Z: 21 56.769 2.508 1.086 0.945 1.000 0.800 CB 1.679 21 residues pruned to eliminate duplicates Z: 31 42.668 2.224 1.120 0.618 0.967 0.733 CB 1.528 32 residues pruned to eliminate duplicates Z: 19 43.578 2.716 0.500 0.931 1.000 0.889 CB 1.762 19 residues pruned to eliminate duplicates Z: 44 31.844 2.061 0.592 0.590 0.907 0.744 CB 1.496 44 residues pruned to eliminate duplicates Z: 87 74.337 2.348 0.943 0.608 0.942 0.733 CB 1.683 87 residues pruned to eliminate duplicates Z: 152 113.258 2.433 1.075 0.614 0.947 0.728 CB 1.730 152 residues pruned to eliminate duplicates Z: 18 16.208 1.948 0.660 0.466 0.882 0.529 CB 1.427 18 residues pruned to eliminate duplicates Z: 20 45.125 2.522 0.503 0.942 1.000 1.000 CB 1.894 20 residues pruned to eliminate duplicates Z: 29 32.612 2.119 0.546 0.699 1.000 0.750 CB 1.570 29 residues pruned to eliminate duplicates Z: 22 36.579 2.046 0.837 0.931 0.952 0.857 CB 1.559 22 residues pruned to eliminate duplicates Z: 54 51.559 2.243 0.743 0.644 0.943 0.811 CB 1.678 54 residues pruned to eliminate duplicates Z: 19 39.893 2.395 0.453 0.944 1.000 1.000 CB 1.871 19 residues pruned to eliminate duplicates Z: 21 58.736 2.359 1.246 0.932 1.000 0.900 CB 1.731 21 residues pruned to eliminate duplicates Z: 17 26.022 2.039 0.529 0.910 1.000 0.938 CB 1.479 17 residues pruned to eliminate duplicates Z: 22 70.077 2.627 1.350 0.923 0.952 0.857 CB 1.828 22 residues pruned to eliminate duplicates Z: 17 19.967 1.995 0.453 0.863 0.875 0.750 CB 1.444 17 residues pruned to eliminate duplicates Z: 97 70.604 2.312 0.833 0.587 0.917 0.688 CB 1.706 97 residues pruned to eliminate duplicates Z: 103 85.876 2.404 0.964 0.596 0.951 0.725 CB 1.727 103 residues pruned to eliminate duplicates Z: 150 84.093 2.258 0.890 0.578 0.933 0.644 CB 1.606 149 residues pruned to eliminate duplicates Z: 21 36.917 2.180 0.661 0.904 1.000 0.800 CB 1.623 21 residues pruned to eliminate duplicates Z: 26 28.438 2.176 0.758 0.501 0.920 0.600 CB 1.615 26 residues pruned to eliminate duplicates Z: 28 28.505 2.135 0.505 0.694 0.889 0.778 CB 1.609 28 residues pruned to eliminate duplicates Z: 36 30.292 2.203 0.837 0.441 0.886 0.543 CB 1.519 36 residues pruned to eliminate duplicates Z: 22 37.404 2.316 0.526 0.934 1.000 0.952 CB 1.611 21 residues pruned to eliminate duplicates Z: 20 47.742 2.508 0.648 0.933 1.000 1.000 CB 1.849 20 residues pruned to eliminate duplicates Z: 64 45.924 2.153 0.855 0.576 0.937 0.714 CB 1.438 63 residues pruned to eliminate duplicates Z: 22 49.482 2.310 1.096 0.935 1.000 0.714 CB 1.554 22 residues pruned to eliminate duplicates Z: 105 62.805 2.178 0.874 0.584 0.923 0.731 CB 1.508 108 residues pruned to eliminate duplicates Z: 83 79.173 2.386 0.987 0.641 0.939 0.768 CB 1.720 83 residues pruned to eliminate duplicates Z: 21 45.096 2.497 0.650 0.893 0.950 0.900 CB 1.849 21 residues pruned to eliminate duplicates Z: 25 24.481 2.074 0.792 0.632 0.917 0.792 CB 1.296 25 residues pruned to eliminate duplicates Z: 21 27.628 2.186 0.958 0.481 0.850 0.650 CB 1.731 21 residues pruned to eliminate duplicates Z: 7 10.112 2.131 0.502 0.794 0.667 0.667 CA 1.495 7 residues pruned to eliminate duplicates Z: 153 106.790 2.423 1.002 0.611 0.934 0.757 CB 1.721 153 residues pruned to eliminate duplicates Z: 16 27.542 2.076 0.680 0.910 1.000 0.800 CB 1.446 15 residues pruned to eliminate duplicates Z: 25 18.473 2.126 0.486 0.531 0.833 0.583 CB 1.389 25 residues pruned to eliminate duplicates Z: 59 48.416 2.287 0.995 0.510 0.897 0.621 CB 1.540 59 residues pruned to eliminate duplicates Z: 23 24.211 2.121 0.647 0.533 0.909 0.591 CB 1.573 23 residues pruned to eliminate duplicates Z: 19 16.676 1.866 0.615 0.546 0.944 0.667 CB 1.320 Z: 17 18.791 1.917 0.746 0.580 0.875 0.562 CB 1.484 18 residues pruned to eliminate duplicates Z: 122 81.098 2.302 0.962 0.578 0.942 0.678 CB 1.607 122 residues pruned to eliminate duplicates Z: 42 42.297 2.314 0.875 0.479 0.976 0.610 CB 1.594 42 residues pruned to eliminate duplicates Z: 152 106.496 2.442 0.958 0.606 0.940 0.689 CB 1.742 152 residues pruned to eliminate duplicates Z: 153 100.084 2.428 0.887 0.600 0.928 0.684 CB 1.736 153 residues pruned to eliminate duplicates Z: 58 63.384 2.459 0.956 0.579 0.912 0.649 CB 1.773 58 residues pruned to eliminate duplicates Z: 20 35.392 2.323 0.745 0.897 0.895 0.684 CB 1.603 20 residues pruned to eliminate duplicates Z: 49 48.072 2.220 0.675 0.687 0.938 0.729 CB 1.678 49 residues pruned to eliminate duplicates Z: 7 12.197 2.174 0.232 0.726 1.000 0.833 CA 1.517 7 residues pruned to eliminate duplicates Z: 56 75.835 2.523 1.018 0.667 0.964 0.727 CB 1.787 56 residues pruned to eliminate duplicates Z: 106 78.816 2.348 0.937 0.562 0.943 0.619 CB 1.689 106 residues pruned to eliminate duplicates Z: 22 27.254 2.247 0.808 0.482 0.905 0.524 CB 1.648 22 residues pruned to eliminate duplicates Z: 17 25.470 2.018 0.479 0.875 1.000 0.750 CB 1.551 17 residues pruned to eliminate duplicates Z: 26 30.424 2.158 0.704 0.583 0.960 0.680 CB 1.592 26 residues pruned to eliminate duplicates Z: 153 108.783 2.428 1.019 0.608 0.941 0.684 CB 1.728 153 residues pruned to eliminate duplicates Z: 152 105.459 2.437 0.924 0.619 0.940 0.702 CB 1.740 152 residues pruned to eliminate duplicates Z: 20 30.654 2.195 0.361 0.916 1.000 0.947 CB 1.663 20 residues pruned to eliminate duplicates Z: 152 104.564 2.433 0.946 0.601 0.934 0.689 CB 1.748 152 residues pruned to eliminate duplicates Z: 152 105.764 2.432 0.982 0.597 0.934 0.689 CB 1.744 152 residues pruned to eliminate duplicates Z: 12 41.446 2.261 1.046 0.931 1.000 1.000 CB 1.887 12 residues pruned to eliminate duplicates Z: 98 66.487 2.253 0.883 0.560 0.948 0.732 CB 1.583 98 residues pruned to eliminate duplicates Z: 48 51.691 2.252 0.804 0.684 0.936 0.809 CB 1.674 48 residues pruned to eliminate duplicates Z: 106 60.106 2.152 0.851 0.579 0.933 0.676 CB 1.463 106 residues pruned to eliminate duplicates Z: 56 72.247 2.503 1.075 0.643 0.927 0.709 CB 1.769 56 residues pruned to eliminate duplicates Z: 111 76.418 2.327 0.962 0.566 0.927 0.700 CB 1.615 111 residues pruned to eliminate duplicates Z: 71 68.354 2.449 0.925 0.592 0.929 0.671 CB 1.709 71 residues pruned to eliminate duplicates Z: 62 55.554 2.368 1.144 0.477 0.902 0.574 CB 1.591 62 residues pruned to eliminate duplicates Z: 86 73.629 2.438 0.956 0.572 0.918 0.659 CB 1.702 86 residues pruned to eliminate duplicates Z: 6 6.210 1.805 -0.058 0.747 1.000 0.800 CB 1.309 6 residues pruned to eliminate duplicates Z: 55 60.795 2.387 1.259 0.559 0.889 0.722 CB 1.630 55 residues pruned to eliminate duplicates Z: 61 47.603 2.151 0.932 0.578 0.950 0.700 CB 1.445 61 residues pruned to eliminate duplicates Z: 62 43.847 2.167 0.881 0.563 0.918 0.672 CB 1.412 62 residues pruned to eliminate duplicates Z: 69 72.216 2.499 0.902 0.606 0.926 0.632 CB 1.798 69 residues pruned to eliminate duplicates Z: 152 104.502 2.447 0.902 0.611 0.934 0.748 CB 1.761 152 residues pruned to eliminate duplicates Z: 21 66.949 2.499 1.451 0.962 1.000 0.900 CB 1.672 21 residues pruned to eliminate duplicates Z: 16 25.962 2.069 0.535 0.915 1.000 0.933 CB 1.491 16 residues pruned to eliminate duplicates Z: 31 27.698 2.031 0.740 0.614 0.933 0.667 CB 1.376 31 residues pruned to eliminate duplicates Z: 112 75.533 2.317 0.885 0.577 0.937 0.712 CB 1.627 112 residues pruned to eliminate duplicates Z: 21 33.905 2.185 0.498 0.917 1.000 0.900 CB 1.635 21 residues pruned to eliminate duplicates Z: 68 55.923 2.316 0.932 0.506 0.925 0.672 CB 1.640 68 residues pruned to eliminate duplicates Z: 19 31.754 2.152 0.495 0.926 1.000 0.889 CB 1.631 19 residues pruned to eliminate duplicates Z: 63 43.512 2.146 0.852 0.534 0.935 0.710 CB 1.438 63 residues pruned to eliminate duplicates Z: 21 34.929 2.164 0.629 0.926 1.000 0.850 CB 1.554 21 residues pruned to eliminate duplicates Z: 33 24.348 1.982 0.813 0.589 0.844 0.656 CB 1.304 33 residues pruned to eliminate duplicates Z: 101 84.136 2.471 0.952 0.580 0.930 0.670 CB 1.737 101 residues pruned to eliminate duplicates Z: 8 4.345 1.970 0.335 0.249 0.714 0.429 CB 1.167 8 residues pruned to eliminate duplicates Z: 143 76.932 2.244 0.922 0.557 0.908 0.648 CB 1.558 143 residues pruned to eliminate duplicates Z: 16 25.348 2.043 0.652 0.896 0.933 0.600 CB 1.489 16 residues pruned to eliminate duplicates Z: 8 19.745 1.902 0.936 0.832 1.000 0.714 CA 1.523 8 residues pruned to eliminate duplicates Z: 12 13.071 2.120 0.386 0.490 0.818 0.455 CB 1.655 12 residues pruned to eliminate duplicates Z: 55 60.700 2.436 0.846 0.639 0.907 0.741 CB 1.779 55 residues pruned to eliminate duplicates Z: 121 86.444 2.313 1.053 0.579 0.958 0.725 CB 1.608 121 residues pruned to eliminate duplicates Z: 97 66.932 2.263 0.932 0.559 0.927 0.708 CB 1.592 97 residues pruned to eliminate duplicates Z: 8 16.856 2.007 0.691 0.817 1.000 0.571 CB 1.425 8 residues pruned to eliminate duplicates Z: 21 56.427 2.398 1.112 0.955 1.000 0.850 CB 1.713 21 residues pruned to eliminate duplicates Z: 17 24.583 2.030 0.465 0.904 1.000 0.938 CB 1.471 17 residues pruned to eliminate duplicates Z: 21 47.143 2.445 0.933 0.918 1.000 0.900 CB 1.572 21 residues pruned to eliminate duplicates Z: 7 10.678 2.040 0.918 0.718 0.667 0.500 CA 1.372 7 residues pruned to eliminate duplicates Z: 152 99.200 2.426 0.920 0.606 0.901 0.728 CB 1.740 152 residues pruned to eliminate duplicates Z: 39 40.637 2.111 0.784 0.688 0.947 0.711 CB 1.555 38 residues pruned to eliminate duplicates Z: 18 14.826 1.808 0.587 0.513 0.882 0.412 CB 1.402 18 residues pruned to eliminate duplicates Z: 14 17.871 2.129 0.808 0.483 0.923 0.692 CB 1.418 14 residues pruned to eliminate duplicates Z: 21 36.096 2.154 0.679 0.915 1.000 0.800 CB 1.578 21 residues pruned to eliminate duplicates Z: 30 35.484 2.262 1.020 0.554 0.931 0.690 CB 1.470 30 residues pruned to eliminate duplicates Z: 18 21.520 1.936 0.436 0.886 1.000 0.765 CB 1.354 18 residues pruned to eliminate duplicates Z: 22 50.258 2.547 0.914 0.923 0.952 0.714 CB 1.660 22 residues pruned to eliminate duplicates Z: 101 84.640 2.432 1.125 0.592 0.910 0.720 CB 1.648 101 residues pruned to eliminate duplicates Z: 71 60.179 2.297 0.892 0.587 0.943 0.686 CB 1.615 71 residues pruned to eliminate duplicates Z: 10 16.914 2.176 1.173 0.472 0.778 0.556 CA 1.577 10 residues pruned to eliminate duplicates Z: 31 39.277 2.211 0.838 0.708 0.900 0.667 CB 1.624 27 residues pruned to eliminate duplicates Z: 22 27.558 2.216 0.695 0.507 0.952 0.714 CB 1.669 22 residues pruned to eliminate duplicates Z: 86 67.958 2.341 0.872 0.586 0.941 0.718 CB 1.645 86 residues pruned to eliminate duplicates Z: 25 32.383 2.158 0.940 0.579 0.917 0.667 CB 1.597 27 residues pruned to eliminate duplicates Z: 12 32.654 2.268 1.159 0.911 0.909 0.818 CB 1.568 12 residues pruned to eliminate duplicates Z: 29 33.016 2.243 0.474 0.744 0.929 0.821 CB 1.634 29 residues pruned to eliminate duplicates Z: 9 9.585 1.766 0.484 0.844 0.750 0.500 CB 1.283 Z: 57 48.441 2.331 0.916 0.502 0.911 0.696 CB 1.587 57 residues pruned to eliminate duplicates Z: 12 15.182 1.762 0.698 0.664 1.000 0.545 CB 1.315 12 residues pruned to eliminate duplicates Z: 29 34.187 2.121 0.603 0.721 0.964 0.714 CB 1.614 29 residues pruned to eliminate duplicates Z: 75 79.032 2.511 0.942 0.615 0.959 0.676 CB 1.761 75 residues pruned to eliminate duplicates Z: 18 16.873 1.848 0.595 0.544 0.941 0.647 CB 1.413 18 residues pruned to eliminate duplicates Z: 17 25.327 2.005 0.461 0.903 1.000 0.875 CB 1.539 17 residues pruned to eliminate duplicates Z: 26 41.191 2.222 0.802 0.725 0.960 0.800 CB 1.749 28 residues pruned to eliminate duplicates Z: 6 9.795 2.074 0.657 0.580 0.800 0.600 CB 1.476 6 residues pruned to eliminate duplicates Z: 41 50.663 2.436 1.158 0.536 0.900 0.650 CB 1.634 41 residues pruned to eliminate duplicates Z: 54 67.547 2.457 1.039 0.664 0.906 0.755 CB 1.757 54 residues pruned to eliminate duplicates Z: 41 28.153 2.074 0.708 0.546 0.875 0.625 CB 1.373 41 residues pruned to eliminate duplicates Z: 68 72.997 2.383 0.931 0.647 0.955 0.791 CB 1.768 68 residues pruned to eliminate duplicates Z: 21 36.106 2.195 0.625 0.925 1.000 0.900 CB 1.589 21 residues pruned to eliminate duplicates Z: 43 49.882 2.388 1.226 0.515 0.905 0.643 CB 1.577 43 residues pruned to eliminate duplicates Z: 6 8.429 1.880 0.719 0.726 0.800 0.800 CB 1.188 6 residues pruned to eliminate duplicates Z: 12 39.164 2.313 1.040 0.935 1.000 0.909 CB 1.744 12 residues pruned to eliminate duplicates Z: 62 44.255 2.153 0.897 0.562 0.918 0.623 CB 1.424 62 residues pruned to eliminate duplicates Z: 17 36.628 2.268 1.215 0.634 0.875 0.812 CB 1.837 17 residues pruned to eliminate duplicates Z: 21 36.669 2.071 0.769 0.888 1.000 0.850 CB 1.613 21 residues pruned to eliminate duplicates Z: 52 46.845 2.193 0.818 0.624 0.941 0.647 CB 1.555 52 residues pruned to eliminate duplicates Z: 54 68.490 2.476 0.917 0.655 0.962 0.717 CB 1.783 54 residues pruned to eliminate duplicates Z: 95 62.148 2.194 0.856 0.604 0.957 0.713 CB 1.489 94 residues pruned to eliminate duplicates Z: 78 59.873 2.282 0.843 0.581 0.935 0.662 CB 1.605 78 residues pruned to eliminate duplicates Z: 13 12.679 1.866 0.568 0.584 0.833 0.750 CB 1.385 13 residues pruned to eliminate duplicates Z: 63 43.745 2.161 0.952 0.535 0.903 0.677 CB 1.408 63 residues pruned to eliminate duplicates Z: 108 62.196 2.163 0.826 0.574 0.944 0.654 CB 1.502 109 residues pruned to eliminate duplicates Z: 75 65.175 2.251 0.925 0.628 0.959 0.622 CB 1.615 75 residues pruned to eliminate duplicates Z: 9 13.695 1.678 0.562 0.927 1.000 0.750 CB 1.294 9 residues pruned to eliminate duplicates Z: 37 40.771 2.202 0.604 0.717 0.944 0.778 CB 1.674 37 residues pruned to eliminate duplicates Z: 8 10.034 1.924 0.537 0.874 0.714 0.571 CA 1.306 8 residues pruned to eliminate duplicates Z: 11 11.695 1.873 0.923 0.507 0.700 0.600 CB 1.457 11 residues pruned to eliminate duplicates Z: 31 46.164 2.275 0.991 0.780 0.933 0.833 CB 1.557 31 residues pruned to eliminate duplicates Z: 33 36.037 2.205 0.872 0.607 0.906 0.719 CB 1.538 33 residues pruned to eliminate duplicates Z: 6 3.284 1.624 0.438 0.625 0.800 0.800 CB 0.699 Z: 6 7.559 1.611 0.623 0.781 1.000 0.800 CB 1.009 6 residues pruned to eliminate duplicates Z: 28 32.971 2.147 0.618 0.718 0.963 0.815 CB 1.558 28 residues pruned to eliminate duplicates Z: 34 51.107 2.310 1.091 0.600 0.939 0.758 CB 1.783 34 residues pruned to eliminate duplicates Z: 58 62.609 2.318 0.981 0.640 0.982 0.684 CB 1.612 58 residues pruned to eliminate duplicates Z: 18 29.600 2.157 1.120 0.559 0.882 0.824 CA 1.680 18 residues pruned to eliminate duplicates Z: 70 71.661 2.373 0.930 0.632 0.971 0.783 CB 1.713 70 residues pruned to eliminate duplicates Z: 109 77.832 2.321 0.975 0.576 0.935 0.694 CB 1.624 109 residues pruned to eliminate duplicates Z: 62 55.287 2.295 0.922 0.529 0.934 0.672 CB 1.668 62 residues pruned to eliminate duplicates Z: 64 44.319 2.135 0.856 0.546 0.952 0.714 CB 1.415 64 residues pruned to eliminate duplicates Z: 17 17.393 1.901 0.577 0.574 0.938 0.688 CB 1.441 17 residues pruned to eliminate duplicates Z: 25 31.702 2.234 0.872 0.492 0.917 0.667 CB 1.701 25 residues pruned to eliminate duplicates Z: 69 79.897 2.502 1.053 0.609 0.956 0.750 CB 1.780 69 residues pruned to eliminate duplicates Z: 67 58.297 2.262 0.911 0.602 0.939 0.652 CB 1.604 67 residues pruned to eliminate duplicates Z: 65 72.868 2.491 1.132 0.606 0.875 0.688 CB 1.773 65 residues pruned to eliminate duplicates Z: 50 39.257 2.140 0.854 0.543 0.939 0.653 CB 1.444 50 residues pruned to eliminate duplicates Z: 63 56.876 2.260 0.934 0.592 0.919 0.629 CB 1.646 63 residues pruned to eliminate duplicates Z: 14 29.952 2.246 1.084 0.666 0.923 0.692 CB 1.649 14 residues pruned to eliminate duplicates Z: 31 29.101 2.280 0.761 0.464 0.900 0.467 CB 1.524 31 residues pruned to eliminate duplicates Z: 6 2.243 1.700 0.052 0.509 0.800 0.600 CB 0.695 Z: 61 71.470 2.498 1.071 0.606 0.950 0.650 CB 1.697 61 residues pruned to eliminate duplicates 7 1.714 1.720 -0.145 0.465 0.833 0.500 CB 0.592 ? Z: 22 28.201 2.063 0.336 0.919 1.000 1.000 CB 1.574 22 residues pruned to eliminate duplicates Z: 35 41.681 2.247 1.054 0.551 0.912 0.676 CB 1.617 35 residues pruned to eliminate duplicates Z: 21 57.110 2.374 1.232 0.943 1.000 0.800 CB 1.671 21 residues pruned to eliminate duplicates Z: 76 79.656 2.463 1.073 0.607 0.920 0.707 CB 1.768 76 residues pruned to eliminate duplicates Z: 42 35.319 2.155 0.878 0.511 0.878 0.561 CB 1.535 42 residues pruned to eliminate duplicates Z: 28 34.920 2.157 0.603 0.739 0.963 0.704 CB 1.628 28 residues pruned to eliminate duplicates Z: 31 33.307 2.255 0.823 0.496 0.933 0.667 CB 1.592 31 residues pruned to eliminate duplicates Z: 6 2.560 1.781 -0.309 0.601 1.000 0.800 CB 0.845 Z: 57 64.387 2.517 0.824 0.615 0.929 0.679 CB 1.811 57 residues pruned to eliminate duplicates Z: 34 29.373 2.112 0.809 0.517 0.909 0.636 CB 1.448 34 residues pruned to eliminate duplicates Z: 15 12.754 1.632 0.661 0.876 0.857 0.357 CB 1.066 8 residues pruned to eliminate duplicates Z: 63 40.267 2.150 0.844 0.516 0.903 0.694 CB 1.405 63 residues pruned to eliminate duplicates Z: 70 70.871 2.303 0.902 0.656 0.971 0.754 CB 1.736 70 residues pruned to eliminate duplicates Z: 152 110.719 2.445 1.009 0.621 0.947 0.702 CB 1.728 152 residues pruned to eliminate duplicates Z: 16 25.616 2.056 0.595 0.905 1.000 0.867 CB 1.436 16 residues pruned to eliminate duplicates Z: 106 67.524 2.202 0.918 0.613 0.924 0.714 CB 1.518 106 residues pruned to eliminate duplicates Z: 7 5.017 1.456 1.194 0.733 0.667 0.500 N 0.780 7 residues pruned to eliminate duplicates Z: 14 14.837 1.743 0.444 0.893 1.000 0.923 CB 1.174 15 residues pruned to eliminate duplicates Z: 61 43.207 2.135 0.908 0.566 0.917 0.717 CB 1.401 61 residues pruned to eliminate duplicates Z: 25 37.142 2.194 0.932 0.642 0.958 0.708 CB 1.636 25 residues pruned to eliminate duplicates Z: 21 53.574 2.521 0.912 0.944 1.000 0.900 CB 1.722 21 residues pruned to eliminate duplicates Z: 68 61.107 2.286 1.026 0.612 0.910 0.701 CB 1.593 68 residues pruned to eliminate duplicates Z: 8 11.892 2.045 0.856 0.603 1.000 0.857 CB 1.073 8 residues pruned to eliminate duplicates Z: 7 6.221 1.925 0.473 0.424 0.667 0.500 CA 1.454 7 residues pruned to eliminate duplicates Z: 14 27.206 2.141 1.098 0.638 1.000 0.769 CB 1.476 14 residues pruned to eliminate duplicates Z: 62 42.920 2.098 0.943 0.551 0.934 0.672 CB 1.373 62 residues pruned to eliminate duplicates Z: 21 38.878 2.193 0.717 0.920 1.000 0.900 CB 1.626 21 residues pruned to eliminate duplicates Z: 22 34.793 2.161 0.540 0.921 1.000 0.857 CB 1.606 22 residues pruned to eliminate duplicates Z: 106 70.044 2.197 0.923 0.615 0.952 0.676 CB 1.523 105 residues pruned to eliminate duplicates Z: 13 21.720 2.141 0.994 0.629 0.917 0.833 CB 1.419 13 residues pruned to eliminate duplicates Z: 15 17.435 2.087 0.658 0.564 0.929 0.714 CB 1.363 15 residues pruned to eliminate duplicates Z: 150 87.353 2.278 0.896 0.586 0.940 0.705 CB 1.624 150 residues pruned to eliminate duplicates Z: 17 30.313 2.055 0.667 0.847 1.000 0.750 CB 1.641 17 residues pruned to eliminate duplicates Z: 13 18.099 2.096 0.981 0.625 0.833 0.833 CB 1.342 13 residues pruned to eliminate duplicates Z: 39 46.576 2.385 0.997 0.580 0.921 0.711 CB 1.595 39 residues pruned to eliminate duplicates Z: 7 7.630 1.906 0.556 0.599 0.833 0.667 CB 1.147 Z: 44 50.535 2.388 1.058 0.541 0.907 0.605 CB 1.660 44 residues pruned to eliminate duplicates Z: 64 55.076 2.239 0.913 0.601 0.937 0.619 CB 1.571 64 residues pruned to eliminate duplicates Z: 11 25.764 2.136 1.046 0.713 1.000 0.900 CA 1.538 11 residues pruned to eliminate duplicates Z: 25 23.984 2.002 0.934 0.581 0.917 0.667 CB 1.276 25 residues pruned to eliminate duplicates Z: 64 40.882 2.110 0.824 0.554 0.937 0.698 CB 1.356 64 residues pruned to eliminate duplicates Z: 58 50.088 2.232 0.824 0.613 0.947 0.719 CB 1.546 58 residues pruned to eliminate duplicates Z: 27 34.573 2.247 0.942 0.584 0.885 0.692 CB 1.620 27 residues pruned to eliminate duplicates Z: 9 12.099 1.767 0.921 0.769 0.875 0.375 CB 1.135 9 residues pruned to eliminate duplicates Z: 50 53.209 2.335 1.267 0.529 0.918 0.633 CB 1.519 50 residues pruned to eliminate duplicates Z: 28 33.582 2.157 0.586 0.676 0.963 0.778 CB 1.669 28 residues pruned to eliminate duplicates Z: 11 11.091 2.074 0.237 0.623 0.900 0.800 CB 1.352 11 residues pruned to eliminate duplicates Z: 12 22.138 2.041 0.967 0.890 0.909 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 47 54.816 2.221 0.815 0.716 0.957 0.804 CB 1.723 47 residues pruned to eliminate duplicates Z: 121 77.566 2.308 0.910 0.559 0.925 0.658 CB 1.640 121 residues pruned to eliminate duplicates Z: 19 14.700 1.767 0.585 0.565 0.944 0.611 CB 1.230 19 residues pruned to eliminate duplicates Z: 19 16.738 1.816 0.717 0.521 0.944 0.500 CB 1.312 19 residues pruned to eliminate duplicates Z: 9 18.047 2.143 1.114 0.440 0.875 0.500 CA 1.711 9 residues pruned to eliminate duplicates Z: 6 6.361 1.726 0.286 0.577 0.800 0.600 C 1.488 Z: 45 44.581 2.326 0.661 0.627 0.955 0.727 CB 1.618 45 residues pruned to eliminate duplicates Z: 26 29.783 2.320 0.859 0.514 0.920 0.680 CB 1.481 26 residues pruned to eliminate duplicates Z: 6 2.651 1.754 0.543 0.548 1.000 0.600 CB 0.418 Z: 152 106.651 2.444 0.931 0.623 0.934 0.715 CB 1.753 152 residues pruned to eliminate duplicates Z: 13 18.226 2.100 0.792 0.494 0.917 0.667 CA 1.535 13 residues pruned to eliminate duplicates Z: 8 4.671 1.694 -0.127 0.474 1.000 0.857 CA 1.226 8 residues pruned to eliminate duplicates Z: 12 28.108 2.056 1.090 0.724 1.000 0.818 CA 1.611 12 residues pruned to eliminate duplicates Z: 10 4.171 1.397 0.862 0.515 1.000 0.778 N 0.527 Z: 21 28.730 2.427 0.840 0.432 0.900 0.500 CB 1.715 21 residues pruned to eliminate duplicates Z: 57 74.749 2.492 1.031 0.642 0.964 0.750 CB 1.792 57 residues pruned to eliminate duplicates Z: 47 50.417 2.251 1.009 0.610 0.935 0.652 CB 1.583 47 residues pruned to eliminate duplicates Z: 17 25.660 2.267 1.057 0.545 0.875 0.688 CB 1.504 17 residues pruned to eliminate duplicates Z: 22 38.375 2.494 0.809 0.635 0.905 0.714 CB 1.807 22 residues pruned to eliminate duplicates Z: 23 36.421 2.141 0.618 0.887 0.955 0.909 CA 1.693 23 residues pruned to eliminate duplicates Z: 10 6.813 1.757 0.234 0.473 0.778 0.556 CB 1.384 10 residues pruned to eliminate duplicates Z: 68 55.069 2.277 0.998 0.511 0.925 0.657 CB 1.581 68 residues pruned to eliminate duplicates Z: 14 5.163 1.718 0.085 0.433 0.846 0.462 CB 0.973 Z: 26 35.421 2.204 0.802 0.595 0.960 0.680 CB 1.697 26 residues pruned to eliminate duplicates Z: 26 20.968 2.045 0.532 0.473 0.920 0.600 CB 1.496 26 residues pruned to eliminate duplicates Z: 63 42.193 2.153 0.846 0.526 0.935 0.645 CB 1.405 63 residues pruned to eliminate duplicates Z: 49 35.174 2.108 0.871 0.541 0.896 0.625 CB 1.380 49 residues pruned to eliminate duplicates Z: 63 42.218 2.143 0.826 0.543 0.935 0.677 CB 1.405 63 residues pruned to eliminate duplicates Z: 56 58.005 2.304 0.852 0.655 0.945 0.745 CB 1.678 56 residues pruned to eliminate duplicates Z: 40 34.697 2.115 0.846 0.526 0.923 0.744 CB 1.502 40 residues pruned to eliminate duplicates Z: 16 13.711 1.630 0.433 0.890 1.000 0.800 CB 1.090 15 residues pruned to eliminate duplicates Z: 28 37.987 2.251 1.185 0.519 0.926 0.593 CB 1.575 28 residues pruned to eliminate duplicates Z: 9 3.524 1.603 0.121 0.514 1.000 0.625 CB 0.684 Z: 6 3.762 1.610 -0.017 0.685 0.800 0.800 CB 1.121 6 residues pruned to eliminate duplicates Z: 9 11.196 1.985 0.840 0.447 0.750 0.750 CA 1.526 9 residues pruned to eliminate duplicates Z: 34 42.848 2.303 0.802 0.579 0.939 0.697 CB 1.773 34 residues pruned to eliminate duplicates Z: 37 42.198 2.280 0.899 0.568 0.944 0.778 CB 1.610 37 residues pruned to eliminate duplicates Z: 47 46.267 2.227 0.904 0.613 0.957 0.652 CB 1.510 47 residues pruned to eliminate duplicates Z: 15 14.014 1.673 0.386 0.909 1.000 0.571 CB 1.147 15 residues pruned to eliminate duplicates Z: 44 51.327 2.475 0.849 0.583 0.907 0.698 CB 1.742 44 residues pruned to eliminate duplicates Z: 6 14.171 1.990 0.922 0.768 1.000 0.800 N 1.306 Z: 29 32.033 2.317 0.953 0.513 0.821 0.571 CB 1.607 29 residues pruned to eliminate duplicates Z: 17 13.578 1.579 0.415 0.892 1.000 0.938 CB 1.091 16 residues pruned to eliminate duplicates Z: 103 81.082 2.383 0.914 0.598 0.941 0.725 CB 1.703 103 residues pruned to eliminate duplicates Z: 7 4.059 1.414 0.575 0.523 0.667 0.667 N 1.091 7 residues pruned to eliminate duplicates Z: 8 13.005 1.824 0.659 0.817 1.000 0.714 CA 1.234 8 residues pruned to eliminate duplicates Z: 7 2.347 1.646 -0.349 0.496 0.833 0.667 O 1.076 7 residues pruned to eliminate duplicates Z: 21 37.314 2.118 0.740 0.907 1.000 0.900 CB 1.609 21 residues pruned to eliminate duplicates Z: 15 5.803 1.723 0.318 0.453 0.786 0.571 CB 0.913 15 residues pruned to eliminate duplicates Z: 27 28.016 2.185 0.816 0.483 0.923 0.808 CB 1.527 27 residues pruned to eliminate duplicates Z: 6 4.726 1.627 -0.042 0.758 1.000 0.800 CB 1.077 6 residues pruned to eliminate duplicates Z: 24 34.451 2.055 0.649 0.867 0.957 0.913 CA 1.620 24 residues pruned to eliminate duplicates Z: 17 14.334 1.589 0.520 0.885 1.000 0.688 CB 1.072 17 residues pruned to eliminate duplicates Z: 60 55.811 2.326 1.029 0.543 0.915 0.661 CB 1.613 60 residues pruned to eliminate duplicates Z: 22 65.512 2.621 1.118 0.942 1.000 0.810 CB 1.786 22 residues pruned to eliminate duplicates Z: 44 63.343 2.480 1.088 0.634 0.953 0.698 CB 1.725 44 residues pruned to eliminate duplicates Z: 52 46.291 2.190 0.665 0.646 0.922 0.725 CB 1.682 52 residues pruned to eliminate duplicates Z: 6 8.588 1.498 0.620 0.824 1.000 1.000 CA 1.195 6 residues pruned to eliminate duplicates Z: 47 40.772 2.126 0.876 0.611 0.935 0.696 CB 1.451 48 residues pruned to eliminate duplicates Z: 16 13.371 1.641 0.496 0.896 0.933 0.600 CB 1.079 16 residues pruned to eliminate duplicates Z: 17 11.310 1.963 0.553 0.480 0.938 0.625 CB 1.010 17 residues pruned to eliminate duplicates Z: 11 35.762 2.525 1.101 0.885 1.000 0.600 CB 1.539 11 residues pruned to eliminate duplicates Z: 126 104.410 2.446 0.934 0.655 0.960 0.776 CB 1.780 126 residues pruned to eliminate duplicates Z: 7 2.321 1.566 0.365 0.186 0.667 0.333 C 0.969 Z: 31 25.719 2.048 0.817 0.551 0.900 0.700 CB 1.334 31 residues pruned to eliminate duplicates Z: 82 57.265 2.224 0.870 0.573 0.926 0.617 CB 1.540 82 residues pruned to eliminate duplicates Z: 51 37.456 2.085 0.828 0.545 0.940 0.740 CB 1.415 51 residues pruned to eliminate duplicates Z: 13 13.006 1.739 0.373 0.850 0.917 0.667 CB 1.271 13 residues pruned to eliminate duplicates Z: 152 101.216 2.417 0.949 0.602 0.927 0.695 CB 1.712 152 residues pruned to eliminate duplicates Z: 56 52.952 2.301 0.787 0.630 0.909 0.782 CB 1.691 56 residues pruned to eliminate duplicates Z: 154 104.135 2.415 0.977 0.617 0.928 0.712 CB 1.701 154 residues pruned to eliminate duplicates Z: 13 12.202 1.769 0.207 0.858 1.000 0.833 CB 1.216 13 residues pruned to eliminate duplicates Z: 29 38.223 2.282 1.021 0.575 0.929 0.714 CB 1.569 29 residues pruned to eliminate duplicates Z: 20 35.466 2.433 0.802 0.554 0.947 0.632 CB 1.859 20 residues pruned to eliminate duplicates Z: 10 3.504 1.424 0.352 0.372 0.667 0.556 N 1.044 Z: 52 36.006 2.101 0.758 0.551 0.941 0.667 CB 1.379 52 residues pruned to eliminate duplicates Z: 46 41.877 2.170 0.877 0.599 0.956 0.667 CB 1.460 46 residues pruned to eliminate duplicates Z: 63 39.135 2.109 0.806 0.512 0.903 0.629 CB 1.427 63 residues pruned to eliminate duplicates Z: 9 13.312 2.167 0.668 0.437 0.875 0.500 CB 1.588 9 residues pruned to eliminate duplicates Z: 23 50.790 2.567 0.652 0.920 1.000 0.818 CB 1.798 23 residues pruned to eliminate duplicates Z: 97 62.130 2.221 0.858 0.556 0.906 0.635 CB 1.605 97 residues pruned to eliminate duplicates Z: 16 11.967 1.546 0.521 0.888 0.933 0.533 CB 1.014 16 residues pruned to eliminate duplicates Z: 23 29.670 2.326 1.064 0.454 0.909 0.682 CB 1.520 23 residues pruned to eliminate duplicates Z: 22 52.686 2.297 1.212 0.935 1.000 0.857 CB 1.577 22 residues pruned to eliminate duplicates Z: 6 5.264 1.607 0.561 0.664 1.000 0.800 CB 0.807 6 residues pruned to eliminate duplicates Z: 19 21.782 2.046 0.747 0.560 0.889 0.556 CA 1.524 19 residues pruned to eliminate duplicates Z: 56 58.749 2.302 0.914 0.651 0.964 0.709 CB 1.621 56 residues pruned to eliminate duplicates Z: 74 56.695 2.245 0.775 0.624 0.945 0.685 CB 1.567 74 residues pruned to eliminate duplicates Z: 95 78.621 2.360 0.963 0.634 0.915 0.681 CB 1.687 95 residues pruned to eliminate duplicates Z: 26 18.538 2.015 0.808 0.333 0.800 0.600 CB 1.528 26 residues pruned to eliminate duplicates Z: 19 17.664 2.056 0.522 0.580 0.944 0.667 CB 1.304 19 residues pruned to eliminate duplicates Z: 22 37.118 2.296 0.820 0.585 1.000 0.619 CB 1.787 22 residues pruned to eliminate duplicates Z: 7 2.687 1.770 0.311 0.083 0.667 0.167 CB 1.215 5 residues pruned to eliminate duplicates Z: 26 25.836 2.149 0.802 0.472 0.920 0.600 CB 1.493 26 residues pruned to eliminate duplicates Z: 20 36.723 2.426 0.800 0.577 1.000 0.737 CB 1.791 21 residues pruned to eliminate duplicates Z: 18 44.004 2.382 1.031 0.839 1.000 0.824 CB 1.647 18 residues pruned to eliminate duplicates Z: 7 5.540 1.789 0.431 0.598 0.833 0.667 CB 0.965 Z: 21 35.523 2.177 0.621 0.929 1.000 0.950 CB 1.576 21 residues pruned to eliminate duplicates Z: 8 11.878 2.220 0.771 0.375 1.000 0.571 CB 1.306 8 residues pruned to eliminate duplicates Z: 7 6.448 1.695 0.809 0.753 1.000 1.000 CB 0.685 Z: 58 57.116 2.281 0.933 0.623 0.947 0.684 CB 1.613 58 residues pruned to eliminate duplicates Z: 99 90.753 2.534 1.008 0.594 0.929 0.673 CB 1.774 99 residues pruned to eliminate duplicates Z: 22 21.420 2.117 0.823 0.449 0.905 0.619 CB 1.410 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 17.241 2.104 0.766 0.552 1.000 0.714 CA 1.667 8 residues pruned to eliminate duplicates Z: 151 105.951 2.449 0.918 0.609 0.940 0.680 CB 1.767 151 residues pruned to eliminate duplicates Z: 152 108.274 2.450 0.964 0.614 0.947 0.709 CB 1.736 152 residues pruned to eliminate duplicates Z: 53 71.127 2.521 0.885 0.682 0.981 0.712 CB 1.790 53 residues pruned to eliminate duplicates Z: 152 106.142 2.449 0.920 0.621 0.927 0.682 CB 1.767 152 residues pruned to eliminate duplicates Z: 85 80.247 2.493 0.906 0.599 0.940 0.631 CB 1.783 85 residues pruned to eliminate duplicates Z: 58 58.746 2.342 0.876 0.632 0.947 0.702 CB 1.652 58 residues pruned to eliminate duplicates Z: 152 112.272 2.459 0.990 0.615 0.947 0.689 CB 1.768 152 residues pruned to eliminate duplicates Z: 20 33.772 2.292 1.004 0.572 0.947 0.632 CB 1.661 20 residues pruned to eliminate duplicates Z: 152 106.949 2.445 0.917 0.616 0.947 0.695 CB 1.757 152 residues pruned to eliminate duplicates Z: 70 67.777 2.462 0.826 0.594 0.942 0.652 CB 1.761 70 residues pruned to eliminate duplicates Z: 83 83.204 2.516 0.980 0.616 0.939 0.671 CB 1.761 83 residues pruned to eliminate duplicates Z: 67 74.646 2.515 0.908 0.602 0.955 0.667 CB 1.821 67 residues pruned to eliminate duplicates Z: 55 60.725 2.511 0.805 0.569 0.963 0.685 CB 1.772 55 residues pruned to eliminate duplicates Z: 50 70.201 2.492 0.996 0.688 0.959 0.776 CB 1.771 50 residues pruned to eliminate duplicates Z: 70 73.043 2.489 0.900 0.605 0.957 0.681 CB 1.759 70 residues pruned to eliminate duplicates Z: 6 3.436 1.606 0.047 0.600 0.800 0.400 CA 1.038 6 residues pruned to eliminate duplicates Z: 152 105.386 2.448 0.878 0.619 0.954 0.722 CB 1.749 152 residues pruned to eliminate duplicates Z: 109 93.903 2.521 0.990 0.586 0.935 0.685 CB 1.774 109 residues pruned to eliminate duplicates Z: 8 4.718 1.854 0.674 0.325 0.857 0.286 CB 0.812 8 residues pruned to eliminate duplicates Z: 85 77.860 2.479 0.924 0.581 0.929 0.679 CB 1.774 85 residues pruned to eliminate duplicates Z: 101 89.569 2.484 0.991 0.592 0.940 0.710 CB 1.764 101 residues pruned to eliminate duplicates Z: 27 55.333 2.580 0.836 0.786 0.923 0.923 CB 1.930 27 residues pruned to eliminate duplicates Z: 100 86.544 2.490 0.977 0.581 0.939 0.707 CB 1.740 100 residues pruned to eliminate duplicates Z: 83 76.765 2.517 0.901 0.596 0.927 0.744 CB 1.745 83 residues pruned to eliminate duplicates Z: 22 49.961 2.617 0.908 0.890 0.905 0.714 CB 1.736 22 residues pruned to eliminate duplicates Z: 60 69.908 2.531 0.982 0.609 0.932 0.678 CB 1.754 60 residues pruned to eliminate duplicates Z: 76 82.328 2.529 1.019 0.609 0.947 0.720 CB 1.773 76 residues pruned to eliminate duplicates Z: 152 110.177 2.455 0.966 0.621 0.947 0.702 CB 1.750 152 residues pruned to eliminate duplicates Z: 111 92.046 2.489 1.034 0.564 0.936 0.655 CB 1.739 111 residues pruned to eliminate duplicates Z: 68 75.352 2.518 0.979 0.606 0.940 0.716 CB 1.777 68 residues pruned to eliminate duplicates Z: 110 92.811 2.493 1.054 0.582 0.927 0.697 CB 1.732 110 residues pruned to eliminate duplicates Z: 154 105.361 2.420 0.946 0.613 0.935 0.712 CB 1.739 154 residues pruned to eliminate duplicates Z: 56 58.444 2.465 0.902 0.558 0.909 0.600 CB 1.747 56 residues pruned to eliminate duplicates Z: 102 91.576 2.471 1.058 0.597 0.921 0.634 CB 1.775 102 residues pruned to eliminate duplicates Z: 83 80.813 2.504 1.028 0.578 0.927 0.659 CB 1.758 83 residues pruned to eliminate duplicates Z: 100 96.125 2.505 1.086 0.604 0.949 0.737 CB 1.764 100 residues pruned to eliminate duplicates Z: 22 66.412 2.641 1.123 0.950 1.000 0.905 CB 1.782 22 residues pruned to eliminate duplicates Z: 153 114.195 2.440 1.018 0.625 0.954 0.711 CB 1.752 153 residues pruned to eliminate duplicates Z: 20 70.185 2.713 1.214 0.946 1.000 0.842 CB 1.853 20 residues pruned to eliminate duplicates Z: 153 100.809 2.431 0.918 0.591 0.921 0.691 CB 1.745 153 residues pruned to eliminate duplicates Z: 87 84.529 2.512 1.074 0.588 0.907 0.698 CB 1.773 87 residues pruned to eliminate duplicates Z: 101 88.564 2.465 1.037 0.587 0.920 0.630 CB 1.764 101 residues pruned to eliminate duplicates Z: 84 81.633 2.473 1.018 0.598 0.940 0.699 CB 1.740 84 residues pruned to eliminate duplicates Z: 151 109.915 2.446 1.013 0.609 0.933 0.740 CB 1.760 151 residues pruned to eliminate duplicates Z: 100 94.266 2.506 1.087 0.605 0.929 0.687 CB 1.764 100 residues pruned to eliminate duplicates Z: 110 93.339 2.496 1.014 0.573 0.945 0.688 CB 1.753 110 residues pruned to eliminate duplicates Z: 102 84.489 2.447 1.040 0.573 0.911 0.663 CB 1.723 102 residues pruned to eliminate duplicates Z: 61 72.425 2.522 1.045 0.614 0.933 0.683 CB 1.744 61 residues pruned to eliminate duplicates Z: 83 75.811 2.463 0.962 0.577 0.927 0.671 CB 1.735 83 residues pruned to eliminate duplicates Z: 70 72.159 2.485 0.986 0.599 0.913 0.710 CB 1.754 70 residues pruned to eliminate duplicates Z: 87 81.868 2.473 1.014 0.598 0.930 0.663 CB 1.736 87 residues pruned to eliminate duplicates Z: 153 106.401 2.403 1.003 0.606 0.947 0.697 CB 1.711 153 residues pruned to eliminate duplicates Z: 60 73.069 2.524 1.088 0.609 0.932 0.678 CB 1.746 60 residues pruned to eliminate duplicates Z: 153 109.490 2.441 0.978 0.622 0.947 0.704 CB 1.730 153 residues pruned to eliminate duplicates Z: 103 76.470 2.381 0.918 0.573 0.912 0.716 CB 1.694 103 residues pruned to eliminate duplicates Z: 45 67.817 2.554 0.974 0.644 0.977 0.727 CB 1.815 45 residues pruned to eliminate duplicates Z: 45 63.163 2.537 1.070 0.635 0.864 0.750 CB 1.849 45 residues pruned to eliminate duplicates Z: 36 39.713 2.400 1.019 0.448 0.943 0.600 CB 1.550 36 residues pruned to eliminate duplicates Z: 47 63.863 2.519 1.011 0.639 0.913 0.739 CB 1.788 47 residues pruned to eliminate duplicates Z: 75 85.456 2.540 1.080 0.617 0.946 0.649 CB 1.780 75 residues pruned to eliminate duplicates Z: 152 110.846 2.444 0.999 0.616 0.947 0.675 CB 1.747 152 residues pruned to eliminate duplicates Z: 100 94.367 2.494 1.031 0.608 0.939 0.697 CB 1.798 100 residues pruned to eliminate duplicates Z: 84 83.415 2.493 1.097 0.588 0.940 0.639 CB 1.713 84 residues pruned to eliminate duplicates Z: 85 79.238 2.470 1.065 0.559 0.929 0.655 CB 1.724 85 residues pruned to eliminate duplicates Z: 152 107.181 2.434 1.026 0.614 0.914 0.702 CB 1.737 152 residues pruned to eliminate duplicates Z: 152 111.469 2.442 0.992 0.623 0.954 0.709 CB 1.741 152 residues pruned to eliminate duplicates Z: 84 74.171 2.380 0.895 0.622 0.940 0.771 CB 1.712 84 residues pruned to eliminate duplicates Z: 84 78.843 2.387 0.991 0.619 0.952 0.723 CB 1.709 84 residues pruned to eliminate duplicates Z: 152 107.892 2.442 0.973 0.611 0.947 0.682 CB 1.732 152 residues pruned to eliminate duplicates Z: 85 72.868 2.370 0.922 0.584 0.940 0.702 CB 1.712 85 residues pruned to eliminate duplicates Z: 153 112.847 2.444 1.003 0.627 0.947 0.704 CB 1.751 153 residues pruned to eliminate duplicates Z: 35 43.767 2.347 1.112 0.505 0.941 0.618 CB 1.601 35 residues pruned to eliminate duplicates Z: 152 108.473 2.445 0.942 0.617 0.954 0.695 CB 1.745 152 residues pruned to eliminate duplicates Z: 16 28.030 2.322 1.338 0.582 0.800 0.600 CB 1.540 16 residues pruned to eliminate duplicates Z: 101 91.983 2.503 1.045 0.599 0.920 0.720 CB 1.778 101 residues pruned to eliminate duplicates Z: 39 62.332 2.516 1.328 0.584 0.921 0.632 CB 1.729 39 residues pruned to eliminate duplicates Z: 49 42.936 2.270 1.085 0.529 0.854 0.646 CB 1.490 49 residues pruned to eliminate duplicates Z: 32 54.418 2.452 1.275 0.569 0.968 0.710 CB 1.693 32 residues pruned to eliminate duplicates Z: 152 112.984 2.443 1.063 0.619 0.940 0.742 CB 1.734 152 residues pruned to eliminate duplicates Z: 151 106.118 2.446 0.958 0.624 0.927 0.687 CB 1.737 151 residues pruned to eliminate duplicates Z: 84 74.522 2.380 0.930 0.613 0.940 0.747 CB 1.702 84 residues pruned to eliminate duplicates Z: 152 108.198 2.448 0.992 0.621 0.927 0.682 CB 1.737 152 residues pruned to eliminate duplicates Z: 129 100.793 2.433 1.014 0.631 0.930 0.750 CB 1.729 129 residues pruned to eliminate duplicates Z: 84 77.117 2.381 0.956 0.630 0.940 0.735 CB 1.712 84 residues pruned to eliminate duplicates Z: 153 108.223 2.431 1.032 0.609 0.928 0.750 CB 1.727 153 residues pruned to eliminate duplicates Z: 33 45.687 2.426 1.200 0.521 0.938 0.688 CB 1.580 33 residues pruned to eliminate duplicates Z: 84 68.819 2.370 0.857 0.592 0.928 0.687 CB 1.695 84 residues pruned to eliminate duplicates Z: 72 67.643 2.372 0.881 0.616 0.944 0.746 CB 1.709 72 residues pruned to eliminate duplicates Z: 84 93.395 2.549 1.175 0.608 0.964 0.747 CB 1.733 84 residues pruned to eliminate duplicates Z: 28 45.739 2.482 1.324 0.508 0.889 0.741 CB 1.704 28 residues pruned to eliminate duplicates Z: 69 69.210 2.327 1.038 0.633 0.926 0.794 CB 1.686 69 residues pruned to eliminate duplicates Z: 85 85.179 2.504 1.141 0.571 0.940 0.655 CB 1.722 85 residues pruned to eliminate duplicates Z: 96 97.980 2.521 1.176 0.590 0.947 0.695 CB 1.774 96 residues pruned to eliminate duplicates Z: 128 102.377 2.440 1.058 0.615 0.945 0.740 CB 1.717 128 residues pruned to eliminate duplicates Z: 153 110.144 2.434 1.024 0.608 0.947 0.717 CB 1.727 153 residues pruned to eliminate duplicates Z: 153 109.316 2.442 1.028 0.603 0.934 0.684 CB 1.738 153 residues pruned to eliminate duplicates Z: 152 111.147 2.440 1.036 0.613 0.940 0.715 CB 1.739 152 residues pruned to eliminate duplicates Z: 153 108.816 2.426 1.045 0.608 0.934 0.704 CB 1.718 153 residues pruned to eliminate duplicates Z: 74 62.438 2.432 1.043 0.483 0.890 0.644 CB 1.680 74 residues pruned to eliminate duplicates Z: 70 72.699 2.381 0.962 0.636 0.942 0.768 CB 1.750 70 residues pruned to eliminate duplicates Z: 84 78.921 2.393 0.992 0.616 0.952 0.711 CB 1.711 84 residues pruned to eliminate duplicates Z: 87 73.767 2.357 0.971 0.603 0.930 0.709 CB 1.668 87 residues pruned to eliminate duplicates Z: 58 51.809 2.285 0.785 0.612 0.912 0.789 CB 1.659 58 residues pruned to eliminate duplicates Z: 48 45.929 2.218 0.660 0.681 0.894 0.787 CB 1.724 48 residues pruned to eliminate duplicates Z: 105 68.439 2.348 0.817 0.546 0.913 0.635 CB 1.646 105 residues pruned to eliminate duplicates Z: 52 56.879 2.324 0.773 0.648 0.961 0.765 CB 1.753 52 residues pruned to eliminate duplicates Z: 67 66.058 2.358 0.875 0.627 0.939 0.773 CB 1.737 67 residues pruned to eliminate duplicates Z: 59 48.881 2.289 0.707 0.580 0.897 0.741 CB 1.697 59 residues pruned to eliminate duplicates Z: 70 68.976 2.363 0.881 0.630 0.957 0.754 CB 1.730 70 residues pruned to eliminate duplicates Z: 153 100.744 2.406 0.965 0.615 0.921 0.711 CB 1.684 153 residues pruned to eliminate duplicates Z: 69 69.426 2.362 0.950 0.631 0.926 0.824 CB 1.744 69 residues pruned to eliminate duplicates Z: 97 81.149 2.400 0.901 0.635 0.938 0.708 CB 1.706 97 residues pruned to eliminate duplicates Z: 46 51.211 2.252 0.685 0.698 0.956 0.800 CB 1.758 46 residues pruned to eliminate duplicates Z: 49 49.243 2.198 0.837 0.627 0.938 0.750 CB 1.667 49 residues pruned to eliminate duplicates Z: 57 53.426 2.306 0.783 0.634 0.911 0.714 CB 1.682 57 residues pruned to eliminate duplicates Z: 48 51.843 2.251 0.717 0.694 0.957 0.809 CB 1.711 48 residues pruned to eliminate duplicates Z: 47 49.100 2.266 0.700 0.692 0.913 0.804 CB 1.727 47 residues pruned to eliminate duplicates Z: 84 77.906 2.395 1.014 0.605 0.940 0.795 CB 1.707 84 residues pruned to eliminate duplicates Z: 85 76.611 2.329 0.996 0.624 0.940 0.738 CB 1.700 85 residues pruned to eliminate duplicates Z: 109 85.294 2.401 0.912 0.628 0.926 0.750 CB 1.711 109 residues pruned to eliminate duplicates Z: 84 75.237 2.372 1.038 0.609 0.916 0.699 CB 1.682 84 residues pruned to eliminate duplicates Z: 36 36.693 2.085 0.580 0.683 1.000 0.771 CB 1.591 36 residues pruned to eliminate duplicates Z: 85 76.710 2.352 0.989 0.624 0.940 0.702 CB 1.692 85 residues pruned to eliminate duplicates Z: 73 70.075 2.354 0.920 0.625 0.958 0.792 CB 1.695 73 residues pruned to eliminate duplicates Z: 48 53.464 2.219 0.786 0.712 0.957 0.787 CB 1.696 48 residues pruned to eliminate duplicates Z: 61 43.198 2.145 0.649 0.590 0.917 0.717 CB 1.579 51 residues pruned to eliminate duplicates Z: 21 35.390 2.185 0.608 0.929 1.000 0.900 CB 1.577 21 residues pruned to eliminate duplicates Z: 60 56.014 2.301 0.825 0.594 0.932 0.678 CB 1.703 60 residues pruned to eliminate duplicates Z: 152 113.683 2.452 1.048 0.619 0.940 0.715 CB 1.750 162 residues pruned to eliminate duplicates Z: 21 35.436 2.197 0.536 0.914 1.000 0.900 CB 1.662 21 residues pruned to eliminate duplicates Z: 35 37.640 2.155 0.567 0.659 0.971 0.765 CB 1.699 35 residues pruned to eliminate duplicates Z: 49 49.890 2.257 0.730 0.649 0.938 0.812 CB 1.713 49 residues pruned to eliminate duplicates Z: 152 104.103 2.425 0.978 0.604 0.934 0.709 CB 1.714 152 residues pruned to eliminate duplicates Z: 47 52.567 2.287 0.782 0.705 0.935 0.804 CB 1.689 47 residues pruned to eliminate duplicates Z: 83 75.407 2.382 0.995 0.600 0.939 0.732 CB 1.695 84 residues pruned to eliminate duplicates Z: 23 36.734 2.114 0.638 0.938 1.000 0.955 CB 1.573 23 residues pruned to eliminate duplicates Z: 54 52.789 2.284 0.777 0.638 0.925 0.792 CB 1.698 54 residues pruned to eliminate duplicates Z: 83 83.256 2.393 1.079 0.630 0.951 0.720 CB 1.719 82 residues pruned to eliminate duplicates Z: 22 34.062 2.119 0.569 0.907 1.000 0.905 CB 1.589 22 residues pruned to eliminate duplicates Z: 33 49.005 2.253 0.716 0.782 1.000 0.844 CB 1.747 33 residues pruned to eliminate duplicates Z: 47 53.184 2.249 0.897 0.671 0.935 0.804 CB 1.680 47 residues pruned to eliminate duplicates Z: 21 43.051 2.194 0.880 0.929 1.000 0.750 CB 1.633 21 residues pruned to eliminate duplicates Z: 153 114.614 2.423 1.097 0.628 0.947 0.711 CB 1.712 153 residues pruned to eliminate duplicates Z: 108 82.836 2.343 1.023 0.575 0.935 0.654 CB 1.682 107 residues pruned to eliminate duplicates Z: 21 42.437 2.175 1.051 0.875 0.950 0.800 CB 1.628 21 residues pruned to eliminate duplicates Z: 138 81.159 2.280 0.867 0.552 0.949 0.613 CB 1.632 138 residues pruned to eliminate duplicates Z: 28 26.238 2.075 0.867 0.492 0.926 0.630 CB 1.419 28 residues pruned to eliminate duplicates Z: 26 28.581 2.161 0.788 0.494 1.000 0.600 CB 1.489 26 residues pruned to eliminate duplicates Z: 26 34.182 2.206 0.917 0.544 0.960 0.560 CB 1.613 26 residues pruned to eliminate duplicates Z: 27 32.335 2.186 0.790 0.524 0.962 0.462 CB 1.646 27 residues pruned to eliminate duplicates Z: 26 33.460 2.190 0.900 0.521 0.960 0.600 CB 1.640 26 residues pruned to eliminate duplicates Z: 104 67.448 2.282 0.803 0.556 0.961 0.670 CB 1.592 104 residues pruned to eliminate duplicates Z: 24 32.585 2.272 0.791 0.545 0.957 0.652 CB 1.670 24 residues pruned to eliminate duplicates Z: 29 29.369 2.144 0.815 0.496 0.893 0.607 CB 1.604 29 residues pruned to eliminate duplicates Z: 25 33.236 2.250 0.847 0.537 0.917 0.375 CB 1.718 25 residues pruned to eliminate duplicates Z: 32 35.560 2.148 0.924 0.518 0.968 0.484 CB 1.569 32 residues pruned to eliminate duplicates Z: 112 77.712 2.310 0.939 0.583 0.937 0.658 CB 1.623 112 residues pruned to eliminate duplicates Z: 24 33.394 2.288 0.927 0.520 0.913 0.565 CB 1.696 24 residues pruned to eliminate duplicates Z: 25 33.375 2.234 0.884 0.533 0.958 0.542 CB 1.636 25 residues pruned to eliminate duplicates Z: 121 80.641 2.313 0.942 0.573 0.925 0.675 CB 1.652 121 residues pruned to eliminate duplicates Z: 26 29.710 2.190 0.805 0.530 0.920 0.680 CB 1.585 26 residues pruned to eliminate duplicates Z: 27 32.151 2.183 0.787 0.520 0.962 0.538 CB 1.648 27 residues pruned to eliminate duplicates Z: 120 79.499 2.307 0.895 0.568 0.941 0.697 CB 1.659 120 residues pruned to eliminate duplicates Z: 111 72.013 2.325 0.851 0.579 0.909 0.655 CB 1.626 111 residues pruned to eliminate duplicates Z: 24 31.912 2.259 0.789 0.518 0.957 0.652 CB 1.691 24 residues pruned to eliminate duplicates Z: 25 34.736 2.244 0.914 0.525 0.958 0.542 CB 1.680 25 residues pruned to eliminate duplicates Z: 122 73.180 2.293 0.868 0.558 0.909 0.669 CB 1.616 122 residues pruned to eliminate duplicates Z: 111 77.431 2.324 0.938 0.573 0.936 0.645 CB 1.631 111 residues pruned to eliminate duplicates Z: 32 36.902 2.167 0.898 0.552 0.968 0.677 CB 1.583 32 residues pruned to eliminate duplicates Z: 72 61.161 2.292 0.893 0.600 0.944 0.676 CB 1.612 72 residues pruned to eliminate duplicates Z: 111 75.256 2.341 0.881 0.548 0.955 0.627 CB 1.629 111 residues pruned to eliminate duplicates Z: 72 56.244 2.292 0.761 0.582 0.944 0.634 CB 1.619 72 residues pruned to eliminate duplicates Z: 72 55.642 2.285 0.818 0.584 0.930 0.662 CB 1.577 72 residues pruned to eliminate duplicates Z: 112 74.190 2.318 0.901 0.558 0.928 0.676 CB 1.628 112 residues pruned to eliminate duplicates Z: 114 74.440 2.286 0.905 0.560 0.947 0.708 CB 1.601 114 residues pruned to eliminate duplicates Z: 138 79.653 2.254 0.903 0.581 0.912 0.620 CB 1.609 138 residues pruned to eliminate duplicates Z: 151 88.726 2.273 0.866 0.602 0.953 0.713 CB 1.626 151 residues pruned to eliminate duplicates Z: 55 44.004 2.227 0.841 0.559 0.944 0.630 CB 1.460 55 residues pruned to eliminate duplicates Z: 149 88.616 2.289 0.881 0.589 0.939 0.696 CB 1.654 149 residues pruned to eliminate duplicates Z: 120 77.474 2.310 0.872 0.559 0.958 0.630 CB 1.619 120 residues pruned to eliminate duplicates Z: 80 54.909 2.256 0.876 0.554 0.886 0.633 CB 1.563 80 residues pruned to eliminate duplicates Z: 87 64.585 2.299 0.879 0.568 0.953 0.651 CB 1.583 87 residues pruned to eliminate duplicates Z: 121 78.258 2.304 0.901 0.572 0.942 0.650 CB 1.615 121 residues pruned to eliminate duplicates Z: 150 87.797 2.286 0.910 0.579 0.940 0.691 CB 1.625 150 residues pruned to eliminate duplicates Z: 111 78.607 2.325 0.950 0.577 0.936 0.682 CB 1.640 111 residues pruned to eliminate duplicates Z: 150 90.328 2.282 0.902 0.583 0.953 0.658 CB 1.651 150 residues pruned to eliminate duplicates Z: 20 66.171 2.565 1.220 0.946 1.000 0.737 CB 1.844 20 residues pruned to eliminate duplicates Z: 120 88.305 2.334 1.058 0.593 0.933 0.714 CB 1.653 120 residues pruned to eliminate duplicates Z: 67 64.329 2.321 0.983 0.610 0.955 0.682 CB 1.624 67 residues pruned to eliminate duplicates Z: 150 90.696 2.279 0.920 0.594 0.953 0.691 CB 1.629 149 residues pruned to eliminate duplicates Z: 21 61.018 2.528 1.187 0.941 1.000 0.950 CB 1.712 21 residues pruned to eliminate duplicates Z: 112 79.545 2.305 0.993 0.578 0.946 0.667 CB 1.612 112 residues pruned to eliminate duplicates Z: 56 53.742 2.243 1.003 0.617 0.909 0.673 CB 1.588 56 residues pruned to eliminate duplicates Z: 112 72.925 2.300 0.908 0.558 0.919 0.622 CB 1.622 112 residues pruned to eliminate duplicates Z: 88 66.386 2.301 0.951 0.580 0.920 0.690 CB 1.596 88 residues pruned to eliminate duplicates Z: 111 74.627 2.310 0.912 0.553 0.945 0.682 CB 1.617 111 residues pruned to eliminate duplicates Z: 118 83.326 2.347 0.983 0.561 0.940 0.675 CB 1.660 118 residues pruned to eliminate duplicates Z: 112 76.453 2.308 0.921 0.566 0.937 0.631 CB 1.639 112 residues pruned to eliminate duplicates Z: 111 77.128 2.324 0.988 0.543 0.936 0.655 CB 1.630 111 residues pruned to eliminate duplicates Z: 123 82.529 2.304 0.914 0.607 0.943 0.689 CB 1.624 123 residues pruned to eliminate duplicates Z: 52 45.987 2.233 1.002 0.584 0.902 0.647 CB 1.474 52 residues pruned to eliminate duplicates Z: 112 76.149 2.314 0.936 0.556 0.946 0.667 CB 1.614 112 residues pruned to eliminate duplicates Z: 128 81.528 2.267 0.924 0.589 0.953 0.677 CB 1.599 128 residues pruned to eliminate duplicates Z: 61 45.831 2.243 0.972 0.507 0.900 0.633 CB 1.476 61 residues pruned to eliminate duplicates Z: 112 81.277 2.316 1.018 0.572 0.937 0.649 CB 1.643 112 residues pruned to eliminate duplicates Z: 59 48.004 2.262 0.971 0.501 0.897 0.655 CB 1.576 59 residues pruned to eliminate duplicates Z: 112 77.850 2.317 0.943 0.574 0.946 0.676 CB 1.615 112 residues pruned to eliminate duplicates Z: 111 74.888 2.316 0.941 0.566 0.936 0.645 CB 1.591 111 residues pruned to eliminate duplicates Z: 88 67.464 2.286 0.934 0.587 0.954 0.632 CB 1.577 88 residues pruned to eliminate duplicates Z: 112 76.730 2.313 0.973 0.573 0.928 0.667 CB 1.602 112 residues pruned to eliminate duplicates Z: 112 81.067 2.326 0.989 0.572 0.946 0.694 CB 1.640 112 residues pruned to eliminate duplicates Z: 112 78.727 2.302 0.966 0.560 0.955 0.649 CB 1.631 112 residues pruned to eliminate duplicates Z: 113 72.977 2.292 0.951 0.536 0.938 0.616 CB 1.587 113 residues pruned to eliminate duplicates Z: 123 77.156 2.265 0.908 0.583 0.943 0.730 CB 1.583 123 residues pruned to eliminate duplicates Z: 74 60.032 2.244 0.972 0.575 0.945 0.616 CB 1.563 74 residues pruned to eliminate duplicates Z: 37 31.198 2.255 0.821 0.408 0.917 0.583 CB 1.521 37 residues pruned to eliminate duplicates Z: 122 82.003 2.305 0.979 0.568 0.942 0.620 CB 1.623 122 residues pruned to eliminate duplicates Z: 69 57.636 2.306 0.968 0.501 0.926 0.603 CB 1.661 69 residues pruned to eliminate duplicates Z: 112 82.022 2.317 1.034 0.571 0.946 0.667 CB 1.630 112 residues pruned to eliminate duplicates Z: 121 80.470 2.310 0.954 0.565 0.942 0.658 CB 1.622 121 residues pruned to eliminate duplicates Z: 14 28.285 2.340 0.887 0.549 1.000 0.538 CB 1.694 14 residues pruned to eliminate duplicates Z: 58 51.779 2.354 0.888 0.509 0.930 0.649 CB 1.645 58 residues pruned to eliminate duplicates Z: 59 53.815 2.334 0.961 0.513 0.931 0.707 CB 1.637 59 residues pruned to eliminate duplicates Z: 61 52.546 2.311 0.987 0.510 0.933 0.683 CB 1.567 61 residues pruned to eliminate duplicates Z: 62 50.193 2.285 1.012 0.485 0.902 0.672 CB 1.574 62 residues pruned to eliminate duplicates Z: 14 29.419 2.376 0.835 0.594 1.000 0.692 CB 1.711 14 residues pruned to eliminate duplicates Z: 122 77.455 2.277 0.974 0.558 0.926 0.686 CB 1.600 122 residues pruned to eliminate duplicates Z: 55 47.089 2.277 0.927 0.512 0.889 0.685 CB 1.624 55 residues pruned to eliminate duplicates Z: 150 92.565 2.286 0.976 0.591 0.946 0.698 CB 1.626 150 residues pruned to eliminate duplicates Z: 7 7.445 1.980 0.459 0.385 0.833 0.500 CA 1.426 7 residues pruned to eliminate duplicates Z: 113 76.682 2.298 0.975 0.575 0.938 0.705 CB 1.584 113 residues pruned to eliminate duplicates Z: 69 57.315 2.293 0.950 0.520 0.941 0.676 CB 1.620 69 residues pruned to eliminate duplicates Z: 110 83.382 2.345 1.086 0.579 0.936 0.679 CB 1.617 110 residues pruned to eliminate duplicates Z: 93 82.396 2.347 1.096 0.600 0.967 0.652 CB 1.641 93 residues pruned to eliminate duplicates Z: 60 51.277 2.326 0.989 0.507 0.881 0.678 CB 1.626 60 residues pruned to eliminate duplicates Z: 146 89.857 2.270 0.950 0.606 0.945 0.690 CB 1.614 146 residues pruned to eliminate duplicates Z: 62 47.314 2.270 0.954 0.483 0.918 0.656 CB 1.514 62 residues pruned to eliminate duplicates Z: 107 66.346 2.259 0.927 0.531 0.925 0.642 CB 1.553 107 residues pruned to eliminate duplicates Z: 33 43.028 2.310 0.992 0.551 0.969 0.688 CB 1.625 33 residues pruned to eliminate duplicates Z: 29 35.543 2.288 0.955 0.506 0.893 0.714 CB 1.673 29 residues pruned to eliminate duplicates Z: 112 78.559 2.318 0.993 0.568 0.928 0.721 CB 1.629 112 residues pruned to eliminate duplicates Z: 110 81.336 2.338 1.015 0.569 0.945 0.679 CB 1.637 110 residues pruned to eliminate duplicates Z: 50 57.398 2.317 1.174 0.555 0.918 0.653 CB 1.680 50 residues pruned to eliminate duplicates Z: 40 46.856 2.348 0.979 0.523 0.923 0.692 CB 1.711 40 residues pruned to eliminate duplicates Z: 50 57.327 2.323 1.075 0.543 0.959 0.673 CB 1.698 50 residues pruned to eliminate duplicates Z: 150 86.323 2.282 0.876 0.577 0.953 0.671 CB 1.609 150 residues pruned to eliminate duplicates Z: 39 42.440 2.350 0.908 0.512 0.895 0.737 CB 1.697 39 residues pruned to eliminate duplicates Z: 39 39.607 2.279 0.935 0.493 0.895 0.658 CB 1.640 39 residues pruned to eliminate duplicates Z: 42 40.651 2.255 0.885 0.474 0.902 0.634 CB 1.700 42 residues pruned to eliminate duplicates Z: 61 46.494 2.279 0.936 0.469 0.917 0.583 CB 1.531 61 residues pruned to eliminate duplicates Z: 60 46.149 2.307 0.897 0.461 0.915 0.627 CB 1.561 60 residues pruned to eliminate duplicates Z: 79 56.755 2.247 0.820 0.545 0.936 0.705 CB 1.607 79 residues pruned to eliminate duplicates Z: 101 62.710 2.227 0.850 0.532 0.940 0.680 CB 1.568 101 residues pruned to eliminate duplicates Z: 112 78.750 2.334 0.997 0.548 0.937 0.685 CB 1.634 112 residues pruned to eliminate duplicates Z: 42 36.972 2.250 0.957 0.484 0.902 0.610 CB 1.477 42 residues pruned to eliminate duplicates Z: 12 23.260 2.169 1.000 0.591 0.909 0.636 CA 1.630 12 residues pruned to eliminate duplicates Z: 18 34.398 2.213 1.103 0.608 0.941 0.765 CA 1.719 18 residues pruned to eliminate duplicates Z: 12 28.707 2.156 1.160 0.661 1.000 0.818 CA 1.601 12 residues pruned to eliminate duplicates Z: 14 17.399 1.940 1.002 0.574 0.769 0.769 CA 1.504 14 residues pruned to eliminate duplicates Z: 12 24.256 2.173 1.072 0.586 0.909 0.636 CA 1.645 12 residues pruned to eliminate duplicates Z: 12 21.047 2.050 0.915 0.591 1.000 0.636 CA 1.482 12 residues pruned to eliminate duplicates Z: 150 84.636 2.269 0.888 0.578 0.933 0.725 CB 1.609 150 residues pruned to eliminate duplicates Z: 150 84.781 2.274 0.876 0.572 0.940 0.685 CB 1.617 150 residues pruned to eliminate duplicates Z: 150 85.842 2.277 0.871 0.587 0.946 0.711 CB 1.605 150 residues pruned to eliminate duplicates Z: 150 86.033 2.279 0.899 0.587 0.933 0.698 CB 1.607 150 residues pruned to eliminate duplicates Z: 41 37.961 2.148 0.672 0.627 0.925 0.775 CB 1.604 41 residues pruned to eliminate duplicates Z: 80 55.923 2.209 0.863 0.557 0.924 0.709 CB 1.566 80 residues pruned to eliminate duplicates Z: 30 32.121 2.107 0.619 0.655 0.966 0.759 CB 1.569 30 residues pruned to eliminate duplicates Z: 27 34.054 2.218 0.566 0.674 0.962 0.808 CB 1.703 27 residues pruned to eliminate duplicates Z: 29 34.045 2.145 0.704 0.664 0.964 0.750 CB 1.569 29 residues pruned to eliminate duplicates Z: 6 5.691 1.780 0.475 0.492 1.000 1.000 CA 0.977 6 residues pruned to eliminate duplicates Z: 29 36.298 2.129 0.659 0.692 1.000 0.821 CB 1.629 29 residues pruned to eliminate duplicates Z: 15 16.870 2.166 0.696 0.490 0.786 0.714 CB 1.577 15 residues pruned to eliminate duplicates Z: 29 34.236 2.129 0.677 0.671 0.964 0.821 CB 1.604 29 residues pruned to eliminate duplicates Z: 7 5.905 1.643 0.772 0.446 1.000 0.667 CA 0.876 7 residues pruned to eliminate duplicates Z: 42 35.918 2.105 0.717 0.626 0.902 0.756 CB 1.527 42 residues pruned to eliminate duplicates Z: 29 29.697 2.125 0.597 0.652 0.893 0.786 CB 1.607 29 residues pruned to eliminate duplicates Z: 47 39.660 2.139 0.757 0.566 0.891 0.739 CB 1.637 47 residues pruned to eliminate duplicates Z: 28 34.549 2.165 0.643 0.684 0.963 0.741 CB 1.639 29 residues pruned to eliminate duplicates Z: 17 25.589 2.000 0.658 0.876 0.938 0.812 CB 1.495 16 residues pruned to eliminate duplicates Z: 16 26.694 2.072 0.619 0.912 1.000 0.867 CB 1.455 16 residues pruned to eliminate duplicates Z: 29 34.931 2.127 0.752 0.651 0.964 0.643 CB 1.596 29 residues pruned to eliminate duplicates Z: 16 25.738 2.073 0.740 0.896 0.933 0.733 CB 1.414 16 residues pruned to eliminate duplicates Z: 28 36.875 2.189 0.797 0.668 0.963 0.815 CB 1.604 28 residues pruned to eliminate duplicates Z: 17 29.258 2.034 0.763 0.883 1.000 0.688 CB 1.475 17 residues pruned to eliminate duplicates Z: 29 33.950 2.133 0.713 0.648 0.964 0.714 CB 1.585 29 residues pruned to eliminate duplicates Z: 17 26.590 2.015 0.654 0.882 1.000 0.812 CB 1.443 17 residues pruned to eliminate duplicates Z: 29 33.601 2.129 0.676 0.659 0.964 0.750 CB 1.592 29 residues pruned to eliminate duplicates Z: 28 34.861 2.186 0.693 0.664 0.963 0.741 CB 1.618 28 residues pruned to eliminate duplicates Z: 29 32.614 2.130 0.679 0.689 0.929 0.679 CB 1.560 29 residues pruned to eliminate duplicates Z: 27 35.893 2.210 0.725 0.644 0.962 0.692 CB 1.678 27 residues pruned to eliminate duplicates Z: 18 15.567 1.844 0.697 0.586 0.882 0.647 CB 1.259 18 residues pruned to eliminate duplicates Z: 18 16.771 1.873 0.568 0.597 0.941 0.765 CB 1.342 18 residues pruned to eliminate duplicates Z: 14 12.947 1.802 0.760 0.497 0.846 0.615 CB 1.343 14 residues pruned to eliminate duplicates Z: 18 16.370 1.878 0.542 0.553 1.000 0.588 CB 1.302 18 residues pruned to eliminate duplicates Z: 6 7.905 1.802 0.476 0.755 1.000 0.400 CB 1.059 6 residues pruned to eliminate duplicates Z: 17 16.641 1.879 0.755 0.542 0.875 0.688 CB 1.384 17 residues pruned to eliminate duplicates Z: 17 15.777 1.886 0.799 0.527 0.812 0.562 CB 1.393 17 residues pruned to eliminate duplicates Z: 18 14.696 1.782 0.746 0.525 0.824 0.588 CB 1.357 18 residues pruned to eliminate duplicates Z: 18 19.828 1.883 0.848 0.591 0.941 0.588 CB 1.346 18 residues pruned to eliminate duplicates Z: 25 37.938 2.271 0.661 0.869 0.958 0.958 CB 1.565 25 residues pruned to eliminate duplicates Z: 74 55.861 2.235 0.764 0.612 0.945 0.699 CB 1.578 74 residues pruned to eliminate duplicates Z: 59 50.193 2.210 0.752 0.610 0.983 0.759 CB 1.559 59 residues pruned to eliminate duplicates Z: 29 41.636 2.256 0.750 0.748 0.964 0.786 CB 1.656 29 residues pruned to eliminate duplicates Z: 46 48.461 2.205 0.827 0.655 0.978 0.778 CB 1.587 46 residues pruned to eliminate duplicates Z: 28 42.500 2.256 0.798 0.760 0.963 0.852 CB 1.663 28 residues pruned to eliminate duplicates Z: 110 64.807 2.155 0.887 0.604 0.917 0.688 CB 1.506 110 residues pruned to eliminate duplicates Z: 40 54.351 2.335 0.940 0.669 0.949 0.718 CB 1.732 40 residues pruned to eliminate duplicates Z: 105 65.015 2.209 0.843 0.579 0.942 0.663 CB 1.540 105 residues pruned to eliminate duplicates Z: 21 55.688 2.373 1.082 0.951 1.000 0.800 CB 1.738 21 residues pruned to eliminate duplicates Z: 94 67.736 2.225 0.902 0.606 0.957 0.731 CB 1.568 94 residues pruned to eliminate duplicates Z: 105 70.522 2.209 0.940 0.599 0.952 0.663 CB 1.543 105 residues pruned to eliminate duplicates Z: 106 67.501 2.187 0.939 0.586 0.933 0.619 CB 1.532 106 residues pruned to eliminate duplicates Z: 22 48.911 2.326 1.058 0.934 1.000 0.762 CB 1.555 22 residues pruned to eliminate duplicates Z: 105 68.138 2.213 0.888 0.594 0.952 0.673 CB 1.535 105 residues pruned to eliminate duplicates Z: 21 54.893 2.371 1.050 0.947 1.000 0.950 CB 1.744 25 residues pruned to eliminate duplicates Z: 20 55.901 2.433 0.972 0.957 1.000 0.895 CB 1.835 20 residues pruned to eliminate duplicates Z: 106 65.062 2.202 0.879 0.591 0.933 0.676 CB 1.507 106 residues pruned to eliminate duplicates Z: 105 65.334 2.199 0.879 0.580 0.942 0.644 CB 1.524 105 residues pruned to eliminate duplicates Z: 41 54.835 2.311 1.005 0.641 0.975 0.750 CB 1.682 38 residues pruned to eliminate duplicates Z: 19 62.407 2.450 1.080 0.947 1.000 0.833 CB 1.994 19 residues pruned to eliminate duplicates Z: 95 66.639 2.211 0.949 0.580 0.947 0.691 CB 1.560 95 residues pruned to eliminate duplicates Z: 58 52.264 2.233 0.887 0.595 0.965 0.649 CB 1.555 58 residues pruned to eliminate duplicates Z: 76 58.093 2.217 0.909 0.592 0.947 0.640 CB 1.534 76 residues pruned to eliminate duplicates Z: 105 66.936 2.207 0.894 0.602 0.933 0.644 CB 1.528 105 residues pruned to eliminate duplicates Z: 57 57.335 2.260 0.977 0.620 0.964 0.732 CB 1.588 57 residues pruned to eliminate duplicates Z: 16 22.143 2.203 0.668 0.464 0.933 0.733 CB 1.729 16 residues pruned to eliminate duplicates Z: 57 54.824 2.262 0.867 0.628 0.964 0.607 CB 1.595 56 residues pruned to eliminate duplicates Z: 8 7.864 1.708 0.619 0.386 0.857 0.429 N 1.416 8 residues pruned to eliminate duplicates Z: 104 66.220 2.199 0.894 0.594 0.932 0.660 CB 1.537 105 residues pruned to eliminate duplicates Z: 7 5.404 1.571 0.713 0.361 1.000 0.500 N 0.952 7 residues pruned to eliminate duplicates Z: 82 45.746 2.141 0.750 0.506 0.926 0.605 CB 1.456 82 residues pruned to eliminate duplicates Z: 58 52.633 2.247 0.914 0.633 0.930 0.632 CB 1.539 58 residues pruned to eliminate duplicates Z: 58 53.947 2.242 0.906 0.638 0.947 0.719 CB 1.550 58 residues pruned to eliminate duplicates Z: 45 47.791 2.252 0.897 0.630 0.932 0.636 CB 1.602 45 residues pruned to eliminate duplicates Z: 36 27.780 2.138 0.806 0.456 0.886 0.600 CB 1.437 36 residues pruned to eliminate duplicates Z: 73 65.827 2.294 0.975 0.630 0.944 0.694 CB 1.604 73 residues pruned to eliminate duplicates Z: 45 47.989 2.212 0.878 0.639 0.955 0.682 CB 1.601 45 residues pruned to eliminate duplicates Z: 106 65.596 2.191 0.885 0.588 0.943 0.648 CB 1.511 106 residues pruned to eliminate duplicates Z: 81 48.715 2.173 0.812 0.507 0.938 0.600 CB 1.465 81 residues pruned to eliminate duplicates Z: 106 67.110 2.195 0.869 0.603 0.952 0.610 CB 1.520 106 residues pruned to eliminate duplicates Z: 48 43.760 2.202 0.833 0.522 0.957 0.617 CB 1.617 48 residues pruned to eliminate duplicates Z: 15 22.027 2.198 0.896 0.529 0.929 0.714 CB 1.478 15 residues pruned to eliminate duplicates Z: 17 14.848 2.054 0.837 0.484 0.875 0.688 CB 1.143 17 residues pruned to eliminate duplicates Z: 32 40.465 2.250 1.077 0.574 0.935 0.710 CB 1.548 32 residues pruned to eliminate duplicates Z: 53 41.696 2.175 0.870 0.537 0.923 0.635 CB 1.486 53 residues pruned to eliminate duplicates Z: 32 32.771 2.141 1.011 0.594 0.903 0.710 CB 1.383 32 residues pruned to eliminate duplicates Z: 63 46.102 2.168 0.923 0.568 0.903 0.726 CB 1.456 63 residues pruned to eliminate duplicates Z: 63 48.939 2.164 0.979 0.583 0.935 0.694 CB 1.433 63 residues pruned to eliminate duplicates Z: 6 5.349 1.511 0.740 0.318 1.000 1.000 CA 1.112 6 residues pruned to eliminate duplicates Z: 64 45.546 2.123 0.942 0.521 0.952 0.635 CB 1.432 64 residues pruned to eliminate duplicates Z: 53 44.939 2.157 1.032 0.549 0.923 0.635 CB 1.469 53 residues pruned to eliminate duplicates Z: 63 45.466 2.152 0.930 0.547 0.935 0.694 CB 1.420 63 residues pruned to eliminate duplicates Z: 63 47.688 2.160 1.042 0.550 0.919 0.645 CB 1.423 63 residues pruned to eliminate duplicates Z: 34 34.209 2.194 0.957 0.530 0.909 0.667 CB 1.481 34 residues pruned to eliminate duplicates Z: 63 46.225 2.141 0.943 0.544 0.952 0.694 CB 1.420 63 residues pruned to eliminate duplicates Z: 63 46.672 2.173 1.029 0.544 0.887 0.677 CB 1.451 63 residues pruned to eliminate duplicates Z: 52 41.956 2.172 0.965 0.534 0.922 0.647 CB 1.445 52 residues pruned to eliminate duplicates Z: 32 45.414 2.267 1.221 0.594 0.935 0.742 CB 1.583 32 residues pruned to eliminate duplicates Z: 63 45.739 2.167 0.918 0.551 0.919 0.629 CB 1.447 63 residues pruned to eliminate duplicates Z: 17 30.459 2.320 0.988 0.580 0.875 0.750 CB 1.747 17 residues pruned to eliminate duplicates Z: 52 35.624 2.113 0.801 0.522 0.882 0.608 CB 1.453 51 residues pruned to eliminate duplicates Z: 7 3.359 1.629 0.383 0.297 0.833 0.500 CA 0.917 7 residues pruned to eliminate duplicates Z: 51 36.858 2.117 0.900 0.505 0.900 0.640 CB 1.433 51 residues pruned to eliminate duplicates Z: 64 42.377 2.118 0.884 0.537 0.937 0.667 CB 1.378 64 residues pruned to eliminate duplicates Z: 6 4.111 1.488 0.301 0.453 1.000 0.400 CA 0.997 6 residues pruned to eliminate duplicates Z: 63 44.630 2.153 0.909 0.531 0.935 0.661 CB 1.430 63 residues pruned to eliminate duplicates Z: 53 44.111 2.164 1.095 0.545 0.923 0.712 CB 1.399 53 residues pruned to eliminate duplicates Z: 64 39.766 2.136 0.795 0.495 0.937 0.603 CB 1.403 64 residues pruned to eliminate duplicates Z: 64 41.758 2.147 0.870 0.524 0.905 0.698 CB 1.415 64 residues pruned to eliminate duplicates Z: 63 40.734 2.133 0.832 0.520 0.919 0.677 CB 1.412 64 residues pruned to eliminate duplicates Z: 6 5.985 1.413 0.882 0.356 1.000 0.600 O 1.176 6 residues pruned to eliminate duplicates Z: 32 27.054 2.045 0.785 0.526 0.935 0.581 CB 1.387 32 residues pruned to eliminate duplicates Z: 49 36.548 2.159 0.745 0.515 0.938 0.667 CB 1.471 49 residues pruned to eliminate duplicates Z: 38 21.615 1.900 0.773 0.469 0.892 0.622 CB 1.221 38 residues pruned to eliminate duplicates Z: 63 43.632 2.143 0.904 0.539 0.903 0.726 CB 1.448 63 residues pruned to eliminate duplicates Z: 8 7.622 1.858 0.784 0.388 0.714 0.143 CA 1.370 8 residues pruned to eliminate duplicates Z: 62 41.830 2.128 0.821 0.521 0.951 0.689 CB 1.423 62 residues pruned to eliminate duplicates Z: 31 24.278 2.067 0.785 0.522 0.867 0.633 CB 1.357 31 residues pruned to eliminate duplicates Z: 62 43.044 2.149 0.851 0.528 0.934 0.689 CB 1.442 62 residues pruned to eliminate duplicates Z: 52 45.156 2.186 1.037 0.528 0.922 0.706 CB 1.499 52 residues pruned to eliminate duplicates Z: 61 45.647 2.142 0.951 0.574 0.917 0.700 CB 1.433 61 residues pruned to eliminate duplicates Z: 62 47.319 2.151 0.944 0.553 0.967 0.754 CB 1.422 62 residues pruned to eliminate duplicates Z: 51 40.824 2.136 0.990 0.538 0.920 0.660 CB 1.421 51 residues pruned to eliminate duplicates Z: 6 3.762 1.490 0.380 0.412 1.000 0.400 CA 0.897 6 residues pruned to eliminate duplicates Z: 64 42.660 2.142 0.884 0.497 0.937 0.714 CB 1.426 64 residues pruned to eliminate duplicates Z: 61 44.817 2.163 0.922 0.552 0.917 0.767 CB 1.444 61 residues pruned to eliminate duplicates Z: 13 7.685 1.916 0.411 0.467 0.750 0.500 CB 1.132 13 residues pruned to eliminate duplicates Z: 52 32.773 2.107 0.802 0.463 0.902 0.588 CB 1.391 52 residues pruned to eliminate duplicates Z: 14 10.500 1.904 0.540 0.504 0.923 0.538 CB 1.072 12 residues pruned to eliminate duplicates Z: 16 13.377 1.617 0.427 0.889 1.000 0.733 CB 1.078 16 residues pruned to eliminate duplicates Z: 14 14.649 1.727 0.447 0.903 1.000 0.769 CB 1.158 14 residues pruned to eliminate duplicates Z: 16 12.461 1.635 0.325 0.854 1.000 0.533 CB 1.096 16 residues pruned to eliminate duplicates Z: 51 26.758 1.823 0.755 0.619 0.920 0.640 CB 1.149 51 residues pruned to eliminate duplicates Z: 17 14.098 1.596 0.508 0.874 1.000 0.750 CB 1.066 17 residues pruned to eliminate duplicates Z: 16 13.766 1.617 0.483 0.843 1.000 0.667 CB 1.105 16 residues pruned to eliminate duplicates Z: 17 14.268 1.592 0.493 0.884 1.000 0.875 CB 1.084 17 residues pruned to eliminate duplicates Z: 14 13.478 1.751 0.305 0.874 1.000 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 15 13.541 1.693 0.367 0.860 1.000 0.643 CB 1.150 15 residues pruned to eliminate duplicates Z: 16 14.427 1.642 0.505 0.871 1.000 0.667 CB 1.099 16 residues pruned to eliminate duplicates Z: 16 14.838 1.640 0.584 0.894 0.933 0.733 CB 1.133 16 residues pruned to eliminate duplicates Z: 16 14.679 1.612 0.520 0.891 1.000 0.933 CB 1.112 15 residues pruned to eliminate duplicates Z: 15 15.521 1.669 0.544 0.893 1.000 0.929 CB 1.155 15 residues pruned to eliminate duplicates Z: 15 15.528 1.674 0.561 0.880 1.000 0.857 CB 1.151 15 residues pruned to eliminate duplicates 444 residues left after pruning, divided into chains as follows: A: 302 B: 18 C: 124 CC for partial structure against native data = 46.37 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.554, Connect. = 0.791 for dens.mod. cycle 1 = 0.300, Contrast = 0.627, Connect. = 0.812 for dens.mod. cycle 2 = 0.300, Contrast = 0.750, Connect. = 0.831 for dens.mod. cycle 3 = 0.300, Contrast = 0.763, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.777, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.784, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.791, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.794, Connect. = 0.835 for dens.mod. cycle 8 = 0.300, Contrast = 0.797, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.799, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2372 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 533 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 61.514 2.639 0.919 0.953 1.000 0.905 CB 1.824 B: 22 51.380 2.597 0.777 0.907 1.000 0.905 CB 1.726 22 residues pruned to eliminate duplicates C: 22 58.375 2.575 1.110 0.916 0.952 0.810 CB 1.739 22 residues pruned to eliminate duplicates D: 21 61.382 2.714 0.845 0.944 1.000 0.900 CB 1.899 21 residues pruned to eliminate duplicates E: 22 59.994 2.630 1.138 0.897 0.952 0.905 CB 1.750 22 residues pruned to eliminate duplicates F: 21 36.876 2.169 0.684 0.923 1.000 0.850 CB 1.587 G: 84 76.403 2.394 1.009 0.614 0.928 0.747 CB 1.687 21 residues pruned to eliminate duplicates H: 22 68.759 2.637 1.152 0.951 1.000 0.810 CB 1.823 22 residues pruned to eliminate duplicates I: 20 66.561 2.588 1.242 0.935 1.000 0.842 CB 1.834 J: 22 60.147 2.618 1.105 0.913 0.952 0.762 CB 1.770 22 residues pruned to eliminate duplicates K: 22 48.002 2.614 0.655 0.921 0.952 0.762 CB 1.789 22 residues pruned to eliminate duplicates L: 21 52.963 2.530 0.909 0.932 1.000 0.900 CB 1.712 21 residues pruned to eliminate duplicates M: 22 47.420 2.343 0.916 0.942 1.000 0.905 CB 1.598 N: 23 53.054 2.520 0.922 0.871 1.000 0.864 CB 1.703 23 residues pruned to eliminate duplicates O: 22 49.748 2.605 0.751 0.917 0.952 0.810 CB 1.764 22 residues pruned to eliminate duplicates P: 32 45.954 2.372 1.172 0.564 0.903 0.677 CB 1.667 32 residues pruned to eliminate duplicates Q: 22 55.661 2.614 0.930 0.912 0.952 0.905 CB 1.789 22 residues pruned to eliminate duplicates R: 23 38.470 2.081 0.884 0.906 1.000 0.727 CB 1.488 23 residues pruned to eliminate duplicates S: 21 52.222 2.371 0.998 0.939 1.000 0.900 CB 1.714 22 residues pruned to eliminate duplicates T: 22 59.151 2.626 1.071 0.908 0.952 0.905 CB 1.769 22 residues pruned to eliminate duplicates U: 22 47.641 2.607 0.595 0.935 1.000 0.952 CB 1.742 22 residues pruned to eliminate duplicates V: 22 44.929 2.336 0.842 0.946 1.000 0.905 CB 1.576 22 residues pruned to eliminate duplicates W: 21 67.832 2.698 1.167 0.939 0.950 0.750 CB 1.897 22 residues pruned to eliminate duplicates X: 21 35.150 2.167 0.681 0.890 1.000 0.800 CB 1.552 21 residues pruned to eliminate duplicates Y: 21 49.945 2.358 0.987 0.956 1.000 0.900 CB 1.637 21 residues pruned to eliminate duplicates Z: 21 51.143 2.403 0.946 0.942 1.000 0.900 CB 1.696 22 residues pruned to eliminate duplicates Z: 21 41.020 2.368 0.585 0.945 1.000 1.000 CB 1.691 21 residues pruned to eliminate duplicates Z: 26 31.825 2.207 0.750 0.542 1.000 0.680 CB 1.582 Z: 95 68.939 2.289 0.941 0.609 0.926 0.745 CB 1.559 86 residues pruned to eliminate duplicates Z: 23 53.974 2.540 0.866 0.903 1.000 0.818 CB 1.731 23 residues pruned to eliminate duplicates Z: 32 57.179 2.448 1.320 0.619 0.935 0.677 CB 1.727 41 residues pruned to eliminate duplicates Z: 22 69.059 2.644 1.137 0.955 1.000 0.857 CB 1.833 21 residues pruned to eliminate duplicates Z: 22 60.807 2.611 1.089 0.906 0.952 0.810 CB 1.817 22 residues pruned to eliminate duplicates Z: 22 58.087 2.631 1.025 0.907 0.952 0.905 CB 1.776 22 residues pruned to eliminate duplicates Z: 22 46.676 2.333 0.923 0.940 1.000 0.905 CB 1.577 22 residues pruned to eliminate duplicates Z: 101 93.295 2.477 1.076 0.599 0.950 0.630 CB 1.737 54 residues pruned to eliminate duplicates Z: 29 32.594 2.124 0.587 0.655 1.000 0.714 CB 1.582 Z: 20 61.538 2.528 1.285 0.944 0.947 0.895 CB 1.787 20 residues pruned to eliminate duplicates Z: 20 62.465 2.564 1.126 0.940 1.000 0.947 CB 1.825 20 residues pruned to eliminate duplicates Z: 152 106.196 2.455 0.973 0.612 0.927 0.709 CB 1.731 153 residues pruned to eliminate duplicates Z: 83 79.841 2.403 0.997 0.640 0.927 0.768 CB 1.739 83 residues pruned to eliminate duplicates Z: 32 35.795 2.181 1.020 0.585 0.871 0.645 CB 1.544 Z: 21 50.779 2.376 0.903 0.944 1.000 0.900 CB 1.739 21 residues pruned to eliminate duplicates Z: 31 37.853 2.243 1.091 0.544 0.933 0.633 CB 1.513 31 residues pruned to eliminate duplicates Z: 20 60.238 2.575 1.076 0.924 1.000 0.895 CB 1.815 20 residues pruned to eliminate duplicates Z: 20 38.490 2.406 0.410 0.944 1.000 0.895 CB 1.803 20 residues pruned to eliminate duplicates Z: 101 90.144 2.460 1.119 0.577 0.930 0.670 CB 1.726 101 residues pruned to eliminate duplicates Z: 20 66.004 2.570 1.242 0.930 1.000 0.579 CB 1.837 20 residues pruned to eliminate duplicates Z: 142 79.040 2.250 0.870 0.563 0.950 0.688 CB 1.566 74 residues pruned to eliminate duplicates Z: 76 83.803 2.527 0.989 0.628 0.960 0.747 CB 1.778 76 residues pruned to eliminate duplicates Z: 20 70.590 2.573 1.358 0.963 1.000 0.947 CB 1.824 20 residues pruned to eliminate duplicates Z: 21 52.718 2.518 0.951 0.931 1.000 0.850 CB 1.678 21 residues pruned to eliminate duplicates Z: 62 49.121 2.263 1.021 0.485 0.918 0.656 CB 1.520 62 residues pruned to eliminate duplicates Z: 15 24.453 2.299 0.902 0.501 0.929 0.714 CB 1.607 15 residues pruned to eliminate duplicates Z: 152 100.928 2.435 0.887 0.605 0.940 0.715 CB 1.721 152 residues pruned to eliminate duplicates Z: 20 60.146 2.527 1.237 0.934 0.947 0.895 CB 1.797 20 residues pruned to eliminate duplicates Z: 21 62.110 2.530 1.231 0.943 1.000 0.850 CB 1.706 21 residues pruned to eliminate duplicates Z: 128 102.693 2.451 0.940 0.648 0.945 0.748 CB 1.766 128 residues pruned to eliminate duplicates Z: 15 16.207 2.134 0.659 0.606 0.857 0.643 CB 1.290 15 residues pruned to eliminate duplicates Z: 47 53.295 2.274 0.783 0.700 0.957 0.783 CB 1.688 47 residues pruned to eliminate duplicates Z: 29 32.940 2.140 0.624 0.671 0.964 0.679 CB 1.586 29 residues pruned to eliminate duplicates Z: 151 107.402 2.454 0.979 0.612 0.947 0.700 CB 1.715 151 residues pruned to eliminate duplicates Z: 20 46.391 2.499 0.748 0.925 0.947 0.789 CB 1.805 20 residues pruned to eliminate duplicates Z: 31 37.828 2.237 0.988 0.591 0.933 0.767 CB 1.525 33 residues pruned to eliminate duplicates Z: 20 47.012 2.372 0.713 0.937 1.000 0.947 CB 1.847 20 residues pruned to eliminate duplicates Z: 26 30.793 2.175 0.814 0.525 0.960 0.560 CB 1.586 26 residues pruned to eliminate duplicates Z: 20 50.727 2.563 0.708 0.944 1.000 0.947 CB 1.841 20 residues pruned to eliminate duplicates Z: 96 66.075 2.275 0.925 0.538 0.926 0.663 CB 1.610 96 residues pruned to eliminate duplicates Z: 39 46.370 2.192 1.149 0.593 0.921 0.711 CB 1.586 19 residues pruned to eliminate duplicates Z: 60 69.393 2.536 0.890 0.621 0.915 0.729 CB 1.836 60 residues pruned to eliminate duplicates Z: 52 56.431 2.315 0.766 0.676 0.961 0.804 CB 1.711 52 residues pruned to eliminate duplicates Z: 23 29.950 2.056 0.580 0.895 0.955 0.773 CB 1.477 23 residues pruned to eliminate duplicates Z: 49 54.337 2.315 1.138 0.570 0.896 0.729 CB 1.654 49 residues pruned to eliminate duplicates Z: 52 52.828 2.154 0.778 0.697 0.980 0.725 CB 1.647 52 residues pruned to eliminate duplicates Z: 21 48.717 2.401 0.833 0.947 1.000 0.800 CB 1.711 21 residues pruned to eliminate duplicates Z: 31 37.433 2.253 0.985 0.536 0.933 0.733 CB 1.580 31 residues pruned to eliminate duplicates Z: 23 35.012 2.019 0.874 0.898 0.955 0.818 CB 1.478 23 residues pruned to eliminate duplicates Z: 21 56.865 2.507 1.138 0.936 1.000 0.600 CB 1.653 21 residues pruned to eliminate duplicates Z: 21 53.494 2.526 0.946 0.941 1.000 0.950 CB 1.688 21 residues pruned to eliminate duplicates Z: 128 101.263 2.460 0.917 0.654 0.945 0.756 CB 1.748 128 residues pruned to eliminate duplicates Z: 111 71.815 2.309 0.850 0.560 0.945 0.700 CB 1.599 105 residues pruned to eliminate duplicates Z: 69 72.443 2.498 0.919 0.612 0.926 0.676 CB 1.779 69 residues pruned to eliminate duplicates Z: 22 14.010 1.819 0.742 0.414 0.857 0.667 CB 1.232 22 residues pruned to eliminate duplicates Z: 50 40.089 2.128 0.838 0.563 0.939 0.673 CB 1.467 38 residues pruned to eliminate duplicates Z: 40 36.676 2.141 0.614 0.595 0.949 0.744 CB 1.636 40 residues pruned to eliminate duplicates Z: 101 95.871 2.499 1.106 0.603 0.950 0.700 CB 1.738 101 residues pruned to eliminate duplicates Z: 38 22.041 1.893 0.781 0.465 0.919 0.622 CB 1.212 36 residues pruned to eliminate duplicates Z: 42 44.409 2.293 0.880 0.514 0.951 0.610 CB 1.668 42 residues pruned to eliminate duplicates Z: 52 44.966 2.162 1.046 0.575 0.922 0.706 CB 1.438 52 residues pruned to eliminate duplicates Z: 64 41.913 2.134 0.878 0.532 0.905 0.698 CB 1.412 64 residues pruned to eliminate duplicates Z: 55 61.357 2.485 0.844 0.574 0.944 0.593 CB 1.797 55 residues pruned to eliminate duplicates Z: 22 52.890 2.329 1.144 0.950 1.000 0.857 CB 1.594 20 residues pruned to eliminate duplicates Z: 49 37.782 2.114 0.819 0.502 0.917 0.604 CB 1.544 35 residues pruned to eliminate duplicates Z: 152 103.855 2.438 0.985 0.604 0.921 0.748 CB 1.720 152 residues pruned to eliminate duplicates Z: 42 39.055 2.102 0.733 0.665 0.951 0.756 CB 1.511 42 residues pruned to eliminate duplicates Z: 26 32.952 2.203 0.760 0.551 0.960 0.720 CB 1.683 26 residues pruned to eliminate duplicates Z: 68 82.717 2.537 1.071 0.620 0.955 0.657 CB 1.797 68 residues pruned to eliminate duplicates Z: 22 36.218 2.120 0.780 0.922 0.905 0.857 CB 1.629 22 residues pruned to eliminate duplicates Z: 17 22.140 1.994 0.410 0.881 1.000 0.688 CB 1.425 17 residues pruned to eliminate duplicates Z: 30 40.515 2.253 0.490 0.790 1.000 0.897 CB 1.737 30 residues pruned to eliminate duplicates Z: 43 54.295 2.449 1.124 0.503 0.976 0.595 CB 1.646 43 residues pruned to eliminate duplicates Z: 31 48.112 2.450 1.145 0.579 0.900 0.767 CB 1.721 31 residues pruned to eliminate duplicates Z: 29 35.835 2.124 0.640 0.723 1.000 0.786 CB 1.590 29 residues pruned to eliminate duplicates Z: 86 85.332 2.505 1.151 0.601 0.941 0.647 CB 1.658 86 residues pruned to eliminate duplicates Z: 63 42.510 2.135 0.836 0.511 0.919 0.645 CB 1.483 63 residues pruned to eliminate duplicates Z: 24 28.125 2.205 0.683 0.562 0.913 0.652 CB 1.629 24 residues pruned to eliminate duplicates Z: 17 22.404 2.024 0.459 0.875 1.000 0.812 CB 1.378 17 residues pruned to eliminate duplicates Z: 28 32.943 2.135 0.679 0.684 0.926 0.778 CB 1.613 28 residues pruned to eliminate duplicates Z: 39 50.828 2.393 1.094 0.563 0.921 0.684 CB 1.682 39 residues pruned to eliminate duplicates Z: 20 42.663 2.483 0.544 0.899 0.947 0.895 CB 1.927 20 residues pruned to eliminate duplicates Z: 69 55.972 2.288 0.948 0.519 0.941 0.691 CB 1.587 69 residues pruned to eliminate duplicates Z: 63 43.521 2.170 0.842 0.531 0.903 0.629 CB 1.485 63 residues pruned to eliminate duplicates Z: 22 74.397 2.623 1.378 0.958 1.000 0.857 CB 1.785 22 residues pruned to eliminate duplicates Z: 101 88.917 2.493 1.046 0.591 0.920 0.680 CB 1.738 101 residues pruned to eliminate duplicates Z: 21 22.738 2.142 0.968 0.475 0.900 0.700 CB 1.375 21 residues pruned to eliminate duplicates Z: 17 22.183 1.988 0.392 0.889 1.000 0.938 CB 1.442 17 residues pruned to eliminate duplicates Z: 30 31.082 2.085 0.611 0.654 0.966 0.724 CB 1.543 30 residues pruned to eliminate duplicates Z: 85 74.532 2.437 0.972 0.576 0.917 0.619 CB 1.716 85 residues pruned to eliminate duplicates Z: 152 105.214 2.445 0.954 0.609 0.934 0.735 CB 1.731 152 residues pruned to eliminate duplicates Z: 34 39.475 2.191 0.600 0.746 0.939 0.818 CB 1.675 34 residues pruned to eliminate duplicates Z: 22 49.832 2.323 1.071 0.946 1.000 0.762 CB 1.563 22 residues pruned to eliminate duplicates Z: 69 73.290 2.505 0.826 0.628 0.956 0.676 CB 1.803 69 residues pruned to eliminate duplicates Z: 112 76.352 2.307 0.985 0.563 0.937 0.685 CB 1.589 111 residues pruned to eliminate duplicates Z: 43 52.080 2.249 0.984 0.656 0.976 0.667 CB 1.597 35 residues pruned to eliminate duplicates Z: 7 13.000 2.226 0.392 0.739 1.000 0.833 CA 1.382 7 residues pruned to eliminate duplicates Z: 18 20.727 1.945 0.664 0.619 1.000 0.706 CB 1.388 Z: 25 26.422 2.095 0.966 0.620 0.917 0.667 CB 1.276 25 residues pruned to eliminate duplicates Z: 56 69.830 2.469 1.115 0.635 0.891 0.618 CB 1.783 56 residues pruned to eliminate duplicates Z: 16 24.662 2.040 0.736 0.877 0.933 0.667 CB 1.400 16 residues pruned to eliminate duplicates Z: 12 25.320 2.191 0.969 0.701 0.909 0.727 CA 1.621 12 residues pruned to eliminate duplicates Z: 21 22.628 2.012 1.028 0.495 0.850 0.650 CB 1.467 21 residues pruned to eliminate duplicates Z: 93 77.651 2.392 0.974 0.582 0.935 0.739 CB 1.695 93 residues pruned to eliminate duplicates Z: 22 46.781 2.322 0.946 0.921 1.000 0.857 CB 1.590 22 residues pruned to eliminate duplicates Z: 18 25.677 1.928 0.648 0.911 1.000 0.824 CB 1.390 17 residues pruned to eliminate duplicates Z: 30 42.969 2.286 1.171 0.593 0.966 0.690 CB 1.524 30 residues pruned to eliminate duplicates Z: 71 68.439 2.341 0.923 0.624 0.943 0.729 CB 1.715 71 residues pruned to eliminate duplicates Z: 29 29.640 2.036 0.726 0.511 0.964 0.750 CA 1.636 29 residues pruned to eliminate duplicates Z: 12 11.052 2.138 0.877 0.311 0.909 0.455 CB 1.126 12 residues pruned to eliminate duplicates Z: 21 49.849 2.528 0.844 0.939 1.000 0.950 CB 1.662 21 residues pruned to eliminate duplicates Z: 109 95.767 2.489 1.057 0.594 0.935 0.713 CB 1.758 109 residues pruned to eliminate duplicates Z: 113 76.349 2.297 1.011 0.579 0.929 0.705 CB 1.559 113 residues pruned to eliminate duplicates Z: 19 13.513 2.096 0.374 0.382 0.778 0.500 CB 1.612 19 residues pruned to eliminate duplicates Z: 62 60.991 2.383 0.905 0.636 0.918 0.738 CB 1.650 62 residues pruned to eliminate duplicates Z: 30 32.669 2.060 0.718 0.665 0.966 0.690 CB 1.524 30 residues pruned to eliminate duplicates Z: 152 105.358 2.426 0.909 0.632 0.954 0.722 CB 1.715 152 residues pruned to eliminate duplicates Z: 119 77.829 2.299 0.901 0.566 0.958 0.653 CB 1.606 119 residues pruned to eliminate duplicates Z: 153 99.650 2.412 0.947 0.601 0.921 0.691 CB 1.697 153 residues pruned to eliminate duplicates Z: 21 36.226 2.184 0.607 0.907 1.000 0.850 CB 1.640 21 residues pruned to eliminate duplicates Z: 7 17.559 1.947 1.180 0.853 1.000 0.333 CA 1.249 7 residues pruned to eliminate duplicates Z: 10 11.700 1.967 0.763 0.398 0.889 0.667 CA 1.408 10 residues pruned to eliminate duplicates Z: 109 88.721 2.482 1.025 0.575 0.917 0.667 CB 1.724 109 residues pruned to eliminate duplicates Z: 152 108.020 2.445 1.000 0.608 0.940 0.682 CB 1.725 152 residues pruned to eliminate duplicates Z: 113 73.907 2.303 0.913 0.575 0.929 0.723 CB 1.587 113 residues pruned to eliminate duplicates Z: 20 63.966 2.529 1.341 0.939 1.000 0.842 CB 1.722 20 residues pruned to eliminate duplicates Z: 82 78.461 2.401 0.983 0.620 0.951 0.778 CB 1.719 82 residues pruned to eliminate duplicates Z: 128 97.780 2.442 0.977 0.615 0.937 0.693 CB 1.720 128 residues pruned to eliminate duplicates Z: 83 76.613 2.391 0.988 0.609 0.939 0.744 CB 1.710 83 residues pruned to eliminate duplicates Z: 76 85.121 2.536 1.111 0.614 0.960 0.693 CB 1.717 76 residues pruned to eliminate duplicates Z: 128 103.389 2.444 1.058 0.619 0.937 0.724 CB 1.739 128 residues pruned to eliminate duplicates Z: 23 32.384 2.083 0.492 0.941 1.000 0.955 CB 1.542 23 residues pruned to eliminate duplicates Z: 21 53.549 2.390 1.093 0.943 1.000 0.750 CB 1.659 21 residues pruned to eliminate duplicates Z: 17 25.062 2.020 0.472 0.897 1.000 0.750 CB 1.507 17 residues pruned to eliminate duplicates Z: 65 41.466 2.097 0.811 0.541 0.938 0.672 CB 1.399 66 residues pruned to eliminate duplicates Z: 42 33.516 2.166 0.796 0.503 0.927 0.659 CB 1.447 42 residues pruned to eliminate duplicates Z: 21 28.350 2.163 0.271 0.911 1.000 0.900 CB 1.635 21 residues pruned to eliminate duplicates Z: 84 72.983 2.503 0.878 0.584 0.904 0.687 CB 1.740 84 residues pruned to eliminate duplicates Z: 100 88.001 2.490 0.961 0.589 0.939 0.717 CB 1.771 100 residues pruned to eliminate duplicates Z: 17 25.860 1.986 0.582 0.913 1.000 0.750 CB 1.457 17 residues pruned to eliminate duplicates Z: 21 32.082 2.163 0.463 0.917 1.000 0.950 CB 1.600 21 residues pruned to eliminate duplicates Z: 20 67.655 2.503 1.451 0.961 1.000 0.632 CB 1.732 20 residues pruned to eliminate duplicates Z: 106 80.943 2.388 0.912 0.595 0.943 0.705 CB 1.675 106 residues pruned to eliminate duplicates Z: 15 22.698 2.168 1.108 0.580 0.929 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 59 49.126 2.235 0.754 0.604 0.931 0.741 CB 1.601 59 residues pruned to eliminate duplicates Z: 37 39.970 2.175 0.792 0.653 0.917 0.694 CB 1.618 37 residues pruned to eliminate duplicates Z: 111 74.233 2.318 0.859 0.557 0.945 0.664 CB 1.643 111 residues pruned to eliminate duplicates Z: 29 34.655 2.109 0.650 0.728 0.964 0.786 CB 1.589 29 residues pruned to eliminate duplicates Z: 26 23.269 2.014 0.811 0.649 0.960 0.600 CB 1.156 28 residues pruned to eliminate duplicates Z: 41 36.889 2.139 0.680 0.621 0.925 0.750 CB 1.565 41 residues pruned to eliminate duplicates Z: 26 33.606 2.202 0.771 0.575 0.960 0.600 CB 1.671 26 residues pruned to eliminate duplicates Z: 11 41.329 2.435 1.034 0.939 1.000 0.900 CB 1.834 11 residues pruned to eliminate duplicates Z: 12 24.508 2.121 1.086 0.636 0.909 0.727 CA 1.617 12 residues pruned to eliminate duplicates Z: 9 14.996 1.620 1.129 0.748 1.000 0.625 N 1.231 9 residues pruned to eliminate duplicates Z: 112 76.801 2.301 1.037 0.574 0.928 0.694 CB 1.561 112 residues pruned to eliminate duplicates Z: 20 53.244 2.545 0.929 0.914 1.000 0.789 CB 1.759 20 residues pruned to eliminate duplicates Z: 16 28.973 2.062 0.732 0.931 1.000 0.867 CB 1.464 16 residues pruned to eliminate duplicates Z: 19 17.411 1.875 0.661 0.542 0.944 0.667 CB 1.339 19 residues pruned to eliminate duplicates Z: 24 31.696 2.243 0.759 0.541 0.957 0.652 CB 1.683 24 residues pruned to eliminate duplicates Z: 36 29.187 2.225 0.746 0.451 0.857 0.714 CB 1.557 36 residues pruned to eliminate duplicates Z: 77 52.438 2.239 0.910 0.555 0.895 0.684 CB 1.491 77 residues pruned to eliminate duplicates Z: 106 86.320 2.471 0.961 0.588 0.933 0.676 CB 1.711 106 residues pruned to eliminate duplicates Z: 14 8.204 1.817 0.311 0.508 0.923 0.538 CB 1.027 14 residues pruned to eliminate duplicates Z: 22 51.719 2.334 1.120 0.958 1.000 0.905 CB 1.564 22 residues pruned to eliminate duplicates Z: 16 25.121 2.069 0.494 0.886 1.000 0.867 CB 1.514 16 residues pruned to eliminate duplicates Z: 21 42.169 2.367 0.658 0.941 1.000 0.800 CB 1.668 21 residues pruned to eliminate duplicates Z: 121 82.234 2.308 0.975 0.563 0.958 0.650 CB 1.617 121 residues pruned to eliminate duplicates Z: 17 24.913 2.019 0.494 0.895 1.000 0.875 CB 1.480 17 residues pruned to eliminate duplicates Z: 16 13.492 1.646 0.386 0.899 0.933 0.600 CB 1.169 Z: 45 45.619 2.203 0.751 0.631 0.955 0.727 CB 1.652 45 residues pruned to eliminate duplicates Z: 19 30.516 2.206 0.973 0.530 1.000 0.556 CB 1.604 19 residues pruned to eliminate duplicates Z: 7 9.438 1.631 0.644 0.798 1.000 1.000 CB 1.107 7 residues pruned to eliminate duplicates Z: 101 91.628 2.484 1.042 0.592 0.950 0.690 CB 1.741 101 residues pruned to eliminate duplicates Z: 16 33.638 2.310 0.975 0.600 1.000 0.800 CA 1.730 16 residues pruned to eliminate duplicates Z: 7 11.739 1.719 0.721 0.852 1.000 0.833 CA 1.198 7 residues pruned to eliminate duplicates Z: 52 51.853 2.193 0.854 0.658 0.941 0.686 CB 1.638 52 residues pruned to eliminate duplicates Z: 7 13.574 1.994 0.721 0.844 0.833 0.500 CB 1.441 7 residues pruned to eliminate duplicates Z: 40 40.308 2.297 0.881 0.512 0.923 0.769 CB 1.599 40 residues pruned to eliminate duplicates Z: 18 25.424 2.252 0.911 0.486 0.882 0.588 CB 1.647 18 residues pruned to eliminate duplicates Z: 31 22.025 2.098 0.770 0.356 0.833 0.367 CB 1.518 31 residues pruned to eliminate duplicates Z: 21 29.532 2.152 0.327 0.910 1.000 0.950 CB 1.641 21 residues pruned to eliminate duplicates Z: 104 79.101 2.387 0.956 0.585 0.922 0.670 CB 1.667 104 residues pruned to eliminate duplicates Z: 6 3.811 1.204 0.548 0.883 1.000 1.000 N 0.661 6 residues pruned to eliminate duplicates Z: 19 14.837 1.849 0.583 0.524 0.889 0.667 CB 1.313 19 residues pruned to eliminate duplicates Z: 6 9.618 1.762 0.637 0.781 1.000 0.800 CB 1.164 6 residues pruned to eliminate duplicates Z: 63 45.641 2.114 0.957 0.560 0.935 0.677 CB 1.414 63 residues pruned to eliminate duplicates Z: 179 101.211 2.352 0.906 0.574 0.933 0.663 CB 1.689 179 residues pruned to eliminate duplicates Z: 69 74.464 2.371 0.977 0.671 0.956 0.809 CB 1.722 69 residues pruned to eliminate duplicates Z: 29 34.860 2.105 0.653 0.714 0.964 0.714 CB 1.616 29 residues pruned to eliminate duplicates Z: 8 11.136 2.177 0.444 0.424 1.000 0.286 CB 1.450 8 residues pruned to eliminate duplicates Z: 93 62.465 2.231 0.867 0.596 0.924 0.696 CB 1.544 93 residues pruned to eliminate duplicates Z: 65 73.647 2.479 0.973 0.617 0.938 0.703 CB 1.797 65 residues pruned to eliminate duplicates Z: 11 16.467 1.887 0.820 0.648 0.900 0.700 CB 1.467 11 residues pruned to eliminate duplicates Z: 42 40.362 2.131 0.636 0.658 1.000 0.732 CB 1.561 42 residues pruned to eliminate duplicates Z: 113 74.763 2.324 0.856 0.577 0.938 0.741 CB 1.622 113 residues pruned to eliminate duplicates Z: 81 57.186 2.254 0.809 0.586 0.950 0.713 CB 1.519 81 residues pruned to eliminate duplicates Z: 24 34.780 2.318 0.809 0.593 0.913 0.739 CB 1.733 24 residues pruned to eliminate duplicates Z: 27 19.762 2.003 0.647 0.537 0.885 0.692 CB 1.281 27 residues pruned to eliminate duplicates Z: 20 17.326 1.985 0.545 0.457 0.842 0.474 CA 1.608 20 residues pruned to eliminate duplicates Z: 6 7.132 1.660 0.421 0.795 1.000 0.800 C 1.045 6 residues pruned to eliminate duplicates Z: 6 7.981 1.879 0.327 0.810 0.800 0.800 CA 1.367 6 residues pruned to eliminate duplicates Z: 6 14.560 2.206 0.852 0.487 1.000 0.400 CB 1.614 6 residues pruned to eliminate duplicates Z: 50 40.510 2.145 0.845 0.545 0.959 0.735 CB 1.459 50 residues pruned to eliminate duplicates Z: 108 91.682 2.507 1.058 0.574 0.925 0.682 CB 1.729 108 residues pruned to eliminate duplicates Z: 33 39.129 2.176 0.981 0.714 0.906 0.719 CB 1.459 33 residues pruned to eliminate duplicates Z: 15 11.695 1.662 0.309 0.883 0.929 0.643 CB 1.118 15 residues pruned to eliminate duplicates Z: 29 39.961 2.188 0.896 0.763 0.964 0.679 CB 1.495 29 residues pruned to eliminate duplicates Z: 17 25.684 2.002 0.535 0.871 1.000 0.812 CB 1.525 17 residues pruned to eliminate duplicates Z: 7 8.986 1.846 0.686 0.534 0.833 0.500 CB 1.367 6 residues pruned to eliminate duplicates Z: 17 10.576 1.939 0.616 0.407 0.812 0.562 CB 1.145 17 residues pruned to eliminate duplicates Z: 33 32.495 2.082 0.879 0.610 0.969 0.719 CB 1.367 33 residues pruned to eliminate duplicates Z: 35 36.719 2.196 0.939 0.515 0.941 0.647 CB 1.548 35 residues pruned to eliminate duplicates Z: 6 10.340 2.151 0.134 0.876 1.000 1.000 CA 1.377 6 residues pruned to eliminate duplicates Z: 8 13.985 1.998 1.203 0.600 1.000 1.000 CB 1.092 Z: 21 38.775 2.181 0.810 0.908 1.000 0.850 CB 1.559 21 residues pruned to eliminate duplicates Z: 106 88.920 2.447 1.007 0.592 0.943 0.724 CB 1.716 106 residues pruned to eliminate duplicates Z: 7 11.332 1.816 0.290 0.883 1.000 0.500 CB 1.428 7 residues pruned to eliminate duplicates Z: 14 4.479 1.675 0.207 0.240 0.769 0.308 CB 1.080 Z: 63 41.496 2.142 0.791 0.547 0.919 0.629 CB 1.427 63 residues pruned to eliminate duplicates Z: 69 72.935 2.433 0.999 0.590 0.941 0.574 CB 1.773 69 residues pruned to eliminate duplicates Z: 18 34.590 2.314 1.182 0.575 0.941 0.765 CB 1.642 18 residues pruned to eliminate duplicates Z: 32 22.108 2.036 0.665 0.472 0.903 0.613 CB 1.335 32 residues pruned to eliminate duplicates Z: 18 27.517 2.255 0.855 0.583 0.941 0.588 CB 1.565 18 residues pruned to eliminate duplicates Z: 26 40.956 2.250 1.076 0.622 0.960 0.720 CB 1.629 26 residues pruned to eliminate duplicates Z: 79 38.908 2.062 0.717 0.496 0.923 0.628 CB 1.353 79 residues pruned to eliminate duplicates Z: 80 81.611 2.499 0.988 0.629 0.937 0.684 CB 1.748 81 residues pruned to eliminate duplicates Z: 83 71.265 2.368 0.994 0.594 0.951 0.768 CB 1.602 83 residues pruned to eliminate duplicates Z: 63 43.997 2.159 0.858 0.545 0.919 0.726 CB 1.450 63 residues pruned to eliminate duplicates Z: 7 8.576 1.912 0.192 0.812 1.000 0.500 CB 1.171 Z: 16 13.579 1.651 0.361 0.885 1.000 0.933 CB 1.127 16 residues pruned to eliminate duplicates Z: 38 44.862 2.309 1.044 0.512 0.919 0.703 CB 1.680 38 residues pruned to eliminate duplicates Z: 151 80.058 2.250 0.876 0.565 0.933 0.720 CB 1.557 151 residues pruned to eliminate duplicates Z: 130 102.561 2.431 0.939 0.648 0.961 0.767 CB 1.736 130 residues pruned to eliminate duplicates Z: 85 73.940 2.359 1.010 0.609 0.929 0.714 CB 1.652 85 residues pruned to eliminate duplicates Z: 83 77.067 2.388 0.996 0.633 0.939 0.768 CB 1.679 83 residues pruned to eliminate duplicates Z: 21 60.428 2.334 1.371 0.935 1.000 0.800 CB 1.702 25 residues pruned to eliminate duplicates Z: 27 38.766 2.159 0.682 0.751 1.000 0.769 CB 1.675 27 residues pruned to eliminate duplicates Z: 16 14.512 1.657 0.379 0.901 1.000 0.933 CB 1.171 16 residues pruned to eliminate duplicates Z: 28 33.244 2.154 0.601 0.704 0.963 0.815 CB 1.600 28 residues pruned to eliminate duplicates Z: 58 58.678 2.314 0.985 0.632 0.930 0.772 CB 1.607 58 residues pruned to eliminate duplicates Z: 28 21.345 2.110 0.585 0.487 0.889 0.593 CB 1.400 28 residues pruned to eliminate duplicates Z: 83 75.233 2.381 1.021 0.620 0.915 0.780 CB 1.686 83 residues pruned to eliminate duplicates Z: 16 19.512 2.021 0.365 0.882 0.933 0.867 CB 1.416 16 residues pruned to eliminate duplicates Z: 13 17.729 2.021 0.787 0.667 0.917 0.833 CB 1.325 13 residues pruned to eliminate duplicates Z: 100 76.554 2.362 0.949 0.597 0.909 0.677 CB 1.677 100 residues pruned to eliminate duplicates Z: 17 17.281 1.887 0.601 0.603 0.938 0.625 CB 1.382 17 residues pruned to eliminate duplicates Z: 54 48.226 2.256 0.712 0.642 0.943 0.698 CB 1.593 54 residues pruned to eliminate duplicates Z: 81 48.928 2.147 0.819 0.534 0.913 0.688 CB 1.484 81 residues pruned to eliminate duplicates Z: 53 35.138 2.128 0.767 0.502 0.885 0.615 CB 1.463 53 residues pruned to eliminate duplicates Z: 22 30.402 2.131 0.381 0.911 1.000 0.905 CB 1.598 22 residues pruned to eliminate duplicates Z: 113 74.800 2.302 0.925 0.577 0.929 0.696 CB 1.595 113 residues pruned to eliminate duplicates Z: 18 26.053 1.984 0.591 0.843 1.000 0.765 CB 1.489 18 residues pruned to eliminate duplicates Z: 152 109.216 2.444 0.995 0.617 0.940 0.695 CB 1.736 152 residues pruned to eliminate duplicates Z: 17 12.607 1.936 0.532 0.529 0.750 0.562 CB 1.377 17 residues pruned to eliminate duplicates Z: 59 49.425 2.283 0.936 0.505 0.914 0.638 CB 1.599 59 residues pruned to eliminate duplicates Z: 18 19.070 1.896 0.637 0.590 1.000 0.765 CB 1.367 18 residues pruned to eliminate duplicates Z: 13 10.290 1.814 0.334 0.595 0.917 0.583 CB 1.223 13 residues pruned to eliminate duplicates Z: 121 87.650 2.370 0.889 0.605 0.933 0.733 CB 1.733 121 residues pruned to eliminate duplicates Z: 7 4.145 1.828 -0.184 0.573 0.833 0.667 CB 1.268 Z: 14 16.752 2.002 0.892 0.592 0.923 0.692 CB 1.217 14 residues pruned to eliminate duplicates Z: 21 35.543 2.179 0.628 0.924 1.000 0.900 CB 1.573 21 residues pruned to eliminate duplicates Z: 64 45.213 2.131 0.976 0.544 0.921 0.746 CB 1.407 64 residues pruned to eliminate duplicates Z: 28 43.408 2.262 0.874 0.781 0.963 0.778 CB 1.598 24 residues pruned to eliminate duplicates Z: 151 103.362 2.436 0.985 0.597 0.913 0.700 CB 1.741 151 residues pruned to eliminate duplicates Z: 6 3.614 1.356 0.443 0.599 1.000 0.600 N 0.751 6 residues pruned to eliminate duplicates Z: 48 42.508 2.258 0.886 0.509 0.915 0.787 CB 1.577 48 residues pruned to eliminate duplicates Z: 152 105.713 2.436 0.981 0.610 0.934 0.715 CB 1.719 152 residues pruned to eliminate duplicates Z: 65 40.609 2.110 0.867 0.539 0.891 0.672 CB 1.392 65 residues pruned to eliminate duplicates Z: 89 62.263 2.271 0.885 0.568 0.932 0.670 CB 1.558 89 residues pruned to eliminate duplicates Z: 12 9.078 1.843 0.510 0.610 0.818 0.545 CB 1.084 12 residues pruned to eliminate duplicates Z: 36 33.185 2.274 0.927 0.454 0.886 0.600 CB 1.514 36 residues pruned to eliminate duplicates Z: 34 37.503 2.321 0.886 0.534 0.909 0.667 CB 1.588 34 residues pruned to eliminate duplicates Z: 128 96.641 2.443 0.899 0.629 0.937 0.772 CB 1.747 128 residues pruned to eliminate duplicates Z: 8 11.461 2.057 0.659 0.614 1.000 0.857 CB 1.139 9 residues pruned to eliminate duplicates Z: 61 44.048 2.150 0.901 0.563 0.933 0.717 CB 1.403 61 residues pruned to eliminate duplicates Z: 13 24.768 2.015 1.089 0.696 0.917 0.833 CA 1.550 13 residues pruned to eliminate duplicates Z: 24 25.093 2.174 0.771 0.431 0.913 0.435 CB 1.600 24 residues pruned to eliminate duplicates Z: 128 100.706 2.438 0.998 0.634 0.945 0.740 CB 1.712 128 residues pruned to eliminate duplicates Z: 29 32.472 2.093 0.613 0.696 0.964 0.714 CB 1.577 29 residues pruned to eliminate duplicates Z: 17 20.394 1.919 0.492 0.911 0.938 0.438 CB 1.346 17 residues pruned to eliminate duplicates Z: 64 69.749 2.462 1.032 0.613 0.921 0.698 CB 1.715 64 residues pruned to eliminate duplicates Z: 57 73.367 2.476 1.015 0.659 0.946 0.750 CB 1.792 57 residues pruned to eliminate duplicates Z: 11 28.739 2.152 0.924 0.927 1.000 0.800 CB 1.538 11 residues pruned to eliminate duplicates Z: 79 57.137 2.236 0.838 0.572 0.936 0.731 CB 1.570 79 residues pruned to eliminate duplicates Z: 25 29.477 2.187 0.765 0.508 0.917 0.542 CB 1.687 25 residues pruned to eliminate duplicates Z: 77 56.828 2.236 0.953 0.572 0.921 0.671 CB 1.512 77 residues pruned to eliminate duplicates Z: 9 6.714 1.701 0.412 0.738 0.625 0.375 CA 1.277 9 residues pruned to eliminate duplicates Z: 49 58.924 2.334 1.108 0.583 0.938 0.771 CB 1.702 49 residues pruned to eliminate duplicates Z: 112 73.112 2.313 0.915 0.550 0.928 0.694 CB 1.607 112 residues pruned to eliminate duplicates Z: 7 6.292 1.703 0.112 0.505 1.000 0.667 CB 1.349 Z: 21 38.379 2.174 0.750 0.919 1.000 0.900 CB 1.589 21 residues pruned to eliminate duplicates Z: 8 8.523 1.921 -0.070 0.619 1.000 0.857 O 1.612 Z: 7 10.191 1.762 0.617 0.587 1.000 0.833 CB 1.343 7 residues pruned to eliminate duplicates Z: 20 14.895 1.756 0.518 0.537 0.947 0.474 CB 1.305 20 residues pruned to eliminate duplicates Z: 30 40.882 2.240 0.930 0.620 0.966 0.690 CB 1.624 30 residues pruned to eliminate duplicates Z: 12 3.541 1.665 0.040 0.397 0.636 0.364 CB 1.080 12 residues pruned to eliminate duplicates Z: 19 14.693 1.827 0.619 0.515 0.889 0.500 CB 1.298 19 residues pruned to eliminate duplicates Z: 38 31.360 2.082 0.834 0.546 0.919 0.703 CB 1.405 38 residues pruned to eliminate duplicates Z: 27 38.113 2.213 0.648 0.707 1.000 0.885 CB 1.698 27 residues pruned to eliminate duplicates Z: 152 97.264 2.398 0.878 0.598 0.927 0.689 CB 1.726 152 residues pruned to eliminate duplicates Z: 15 11.903 1.646 0.214 0.917 1.000 0.786 CB 1.123 15 residues pruned to eliminate duplicates Z: 26 31.075 2.198 0.735 0.542 0.960 0.600 CB 1.629 26 residues pruned to eliminate duplicates Z: 9 7.007 1.714 0.198 0.526 0.875 0.500 CB 1.344 9 residues pruned to eliminate duplicates Z: 14 34.011 2.482 1.070 0.702 0.923 0.692 CB 1.656 14 residues pruned to eliminate duplicates Z: 62 43.190 2.162 0.884 0.559 0.885 0.721 CB 1.448 62 residues pruned to eliminate duplicates Z: 121 77.916 2.296 0.952 0.566 0.933 0.675 CB 1.596 121 residues pruned to eliminate duplicates Z: 47 53.612 2.233 0.779 0.700 1.000 0.783 CB 1.658 47 residues pruned to eliminate duplicates Z: 23 40.500 2.133 0.718 0.876 1.000 0.864 CB 1.712 23 residues pruned to eliminate duplicates Z: 8 3.742 1.754 0.183 0.327 0.714 0.571 N 1.154 8 residues pruned to eliminate duplicates Z: 20 44.709 2.373 1.242 0.788 1.000 0.737 CB 1.497 20 residues pruned to eliminate duplicates Z: 8 7.448 1.864 0.847 0.734 1.000 1.000 CB 0.662 Z: 6 4.438 1.696 0.518 0.124 1.000 0.800 O 1.235 Z: 12 18.095 2.162 0.568 0.560 0.909 0.818 CB 1.670 12 residues pruned to eliminate duplicates Z: 76 53.710 2.240 0.867 0.532 0.893 0.693 CB 1.609 76 residues pruned to eliminate duplicates Z: 9 8.120 1.732 0.687 0.753 0.625 0.500 CB 1.255 9 residues pruned to eliminate duplicates Z: 6 7.067 1.833 -0.134 0.749 1.000 1.000 O 1.594 Z: 42 51.525 2.442 1.187 0.541 0.927 0.585 CB 1.563 42 residues pruned to eliminate duplicates Z: 32 22.850 1.975 0.773 0.541 0.935 0.710 CB 1.204 32 residues pruned to eliminate duplicates Z: 6 4.196 1.711 -0.293 0.748 1.000 0.800 N 1.243 Z: 81 49.533 2.165 0.815 0.518 0.938 0.637 CB 1.477 81 residues pruned to eliminate duplicates Z: 22 33.693 2.121 0.512 0.908 1.000 0.905 CA 1.629 22 residues pruned to eliminate duplicates Z: 6 7.341 1.924 0.878 0.305 1.000 0.200 CB 1.128 6 residues pruned to eliminate duplicates Z: 49 50.933 2.190 1.071 0.598 0.958 0.750 CB 1.540 49 residues pruned to eliminate duplicates Z: 15 13.930 1.688 0.424 0.868 1.000 0.786 CB 1.132 15 residues pruned to eliminate duplicates Z: 14 14.011 1.707 0.411 0.883 1.000 0.846 CB 1.167 14 residues pruned to eliminate duplicates Z: 19 34.154 2.293 0.818 0.631 1.000 0.722 CB 1.708 19 residues pruned to eliminate duplicates Z: 16 12.474 1.631 0.411 0.853 0.933 0.600 CB 1.108 16 residues pruned to eliminate duplicates Z: 60 61.828 2.430 0.780 0.614 0.932 0.661 CB 1.793 60 residues pruned to eliminate duplicates Z: 60 53.102 2.207 0.950 0.617 0.932 0.746 CB 1.542 60 residues pruned to eliminate duplicates Z: 7 12.553 1.814 0.517 0.763 1.000 0.833 CB 1.474 7 residues pruned to eliminate duplicates Z: 76 47.544 2.148 0.869 0.535 0.907 0.640 CB 1.458 76 residues pruned to eliminate duplicates 7 1.719 1.812 -0.322 0.600 0.833 0.500 CB 0.623 ? Z: 17 7.094 1.615 0.430 0.507 0.875 0.625 CB 0.871 17 residues pruned to eliminate duplicates Z: 152 108.451 2.452 0.951 0.626 0.947 0.748 CB 1.731 152 residues pruned to eliminate duplicates Z: 19 24.432 2.199 1.031 0.496 0.889 0.556 CB 1.456 19 residues pruned to eliminate duplicates Z: 17 13.533 1.590 0.375 0.895 1.000 0.812 CB 1.109 17 residues pruned to eliminate duplicates Z: 121 81.516 2.315 0.989 0.570 0.925 0.667 CB 1.633 121 residues pruned to eliminate duplicates Z: 83 76.741 2.488 0.984 0.587 0.927 0.659 CB 1.704 83 residues pruned to eliminate duplicates Z: 6 4.923 1.698 0.558 0.579 0.800 0.800 CB 0.964 Z: 21 23.724 2.069 0.939 0.511 0.900 0.800 CB 1.454 21 residues pruned to eliminate duplicates Z: 84 75.001 2.359 0.955 0.614 0.952 0.699 CB 1.684 84 residues pruned to eliminate duplicates Z: 98 71.293 2.315 0.924 0.576 0.948 0.732 CB 1.592 98 residues pruned to eliminate duplicates Z: 15 16.330 1.999 0.615 0.454 0.857 0.643 CB 1.654 15 residues pruned to eliminate duplicates Z: 45 44.149 2.298 1.100 0.536 0.886 0.659 CB 1.502 45 residues pruned to eliminate duplicates Z: 26 27.725 2.181 0.748 0.549 0.880 0.560 CB 1.576 26 residues pruned to eliminate duplicates Z: 77 62.733 2.330 0.815 0.607 0.934 0.750 CB 1.644 77 residues pruned to eliminate duplicates Z: 25 22.491 2.086 0.626 0.469 0.875 0.583 CB 1.597 25 residues pruned to eliminate duplicates Z: 8 9.342 1.632 1.087 0.700 1.000 0.857 CB 0.864 Z: 21 38.822 2.362 0.965 0.595 0.950 0.650 CB 1.798 21 residues pruned to eliminate duplicates Z: 13 11.347 1.937 0.445 0.539 0.833 0.500 CB 1.351 13 residues pruned to eliminate duplicates Z: 15 8.141 1.634 -0.090 0.876 1.000 0.929 CB 1.063 15 residues pruned to eliminate duplicates Z: 8 5.061 1.749 0.227 0.435 0.857 0.571 CB 1.112 Z: 38 45.496 2.309 1.022 0.538 0.919 0.730 CB 1.680 38 residues pruned to eliminate duplicates Z: 31 24.614 2.016 0.557 0.610 0.900 0.733 CB 1.433 31 residues pruned to eliminate duplicates Z: 22 51.913 2.523 1.033 0.938 0.952 0.714 CB 1.613 22 residues pruned to eliminate duplicates Z: 21 62.903 2.623 1.231 0.801 1.000 0.950 CB 1.847 21 residues pruned to eliminate duplicates Z: 60 53.055 2.283 1.008 0.520 0.932 0.644 CB 1.585 60 residues pruned to eliminate duplicates Z: 11 18.778 2.193 0.241 0.819 0.900 0.800 CB 1.838 11 residues pruned to eliminate duplicates Z: 51 66.038 2.498 0.997 0.605 0.940 0.700 CB 1.802 51 residues pruned to eliminate duplicates Z: 9 5.342 1.791 0.135 0.467 0.750 0.500 CB 1.280 8 residues pruned to eliminate duplicates Z: 14 9.869 2.063 0.551 0.433 0.846 0.615 CB 1.083 14 residues pruned to eliminate duplicates Z: 128 92.678 2.435 0.931 0.601 0.921 0.717 CB 1.724 128 residues pruned to eliminate duplicates Z: 64 55.788 2.369 1.091 0.493 0.889 0.651 CB 1.608 64 residues pruned to eliminate duplicates Z: 18 25.935 2.173 1.018 0.503 0.882 0.706 CB 1.621 18 residues pruned to eliminate duplicates Z: 22 52.295 2.643 0.583 0.921 1.000 0.857 CB 1.919 22 residues pruned to eliminate duplicates Z: 151 100.851 2.410 0.988 0.602 0.913 0.687 CB 1.707 151 residues pruned to eliminate duplicates Z: 47 50.439 2.322 0.927 0.554 0.935 0.717 CB 1.686 47 residues pruned to eliminate duplicates Z: 27 33.710 2.362 0.949 0.454 0.885 0.808 CB 1.701 27 residues pruned to eliminate duplicates Z: 103 81.054 2.401 0.951 0.592 0.941 0.676 CB 1.668 103 residues pruned to eliminate duplicates Z: 16 25.603 2.315 0.915 0.547 0.867 0.867 CB 1.643 16 residues pruned to eliminate duplicates Z: 22 31.311 2.337 0.726 0.530 0.905 0.667 CB 1.817 22 residues pruned to eliminate duplicates Z: 19 40.507 2.322 1.077 0.794 0.944 0.722 CB 1.620 19 residues pruned to eliminate duplicates Z: 8 3.957 1.458 0.016 0.507 0.857 0.429 N 1.170 8 residues pruned to eliminate duplicates Z: 68 51.464 2.106 0.857 0.656 0.955 0.657 CB 1.456 68 residues pruned to eliminate duplicates Z: 54 53.004 2.266 0.824 0.660 0.925 0.792 CB 1.643 54 residues pruned to eliminate duplicates Z: 44 62.616 2.474 1.087 0.657 0.930 0.744 CB 1.717 44 residues pruned to eliminate duplicates Z: 6 7.677 1.531 0.370 0.798 1.000 0.600 CB 1.262 6 residues pruned to eliminate duplicates Z: 73 69.077 2.420 0.992 0.573 0.903 0.667 CB 1.743 73 residues pruned to eliminate duplicates Z: 22 55.279 2.652 0.637 0.937 1.000 0.952 CB 1.933 22 residues pruned to eliminate duplicates Z: 8 6.113 1.612 0.250 0.596 0.857 0.714 N 1.221 6 residues pruned to eliminate duplicates Z: 74 72.368 2.425 1.039 0.550 0.945 0.671 CB 1.725 74 residues pruned to eliminate duplicates Z: 52 38.522 2.088 0.851 0.529 0.961 0.706 CB 1.412 52 residues pruned to eliminate duplicates Z: 18 16.963 1.866 0.535 0.591 1.000 0.765 CB 1.317 18 residues pruned to eliminate duplicates Z: 37 35.137 2.225 0.906 0.469 0.917 0.667 CB 1.555 43 residues pruned to eliminate duplicates Z: 15 16.845 1.858 0.729 0.582 0.929 0.643 CB 1.394 15 residues pruned to eliminate duplicates Z: 7 9.222 1.974 0.312 0.364 1.000 0.500 CB 1.682 7 residues pruned to eliminate duplicates Z: 20 55.766 2.384 1.474 0.900 0.947 0.789 CB 1.636 20 residues pruned to eliminate duplicates Z: 22 34.777 2.164 0.894 0.616 1.000 0.667 CB 1.659 22 residues pruned to eliminate duplicates Z: 38 32.626 2.165 0.770 0.546 0.946 0.622 CB 1.414 38 residues pruned to eliminate duplicates Z: 29 44.557 2.276 1.073 0.628 1.000 0.857 CB 1.583 29 residues pruned to eliminate duplicates Z: 17 42.579 2.428 1.012 0.827 1.000 0.875 CB 1.642 17 residues pruned to eliminate duplicates Z: 27 19.415 1.955 0.787 0.536 0.885 0.577 CB 1.190 27 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 13.608 2.092 1.024 0.499 0.750 0.375 CA 1.516 9 residues pruned to eliminate duplicates Z: 153 104.327 2.434 0.919 0.609 0.941 0.684 CB 1.736 153 residues pruned to eliminate duplicates Z: 71 71.575 2.471 0.936 0.594 0.929 0.671 CB 1.761 71 residues pruned to eliminate duplicates Z: 21 33.647 2.187 0.948 0.586 1.000 0.650 CB 1.626 21 residues pruned to eliminate duplicates Z: 70 71.898 2.498 0.838 0.608 0.942 0.696 CB 1.807 70 residues pruned to eliminate duplicates Z: 8 16.303 2.132 1.219 0.549 0.857 0.286 CA 1.448 8 residues pruned to eliminate duplicates Z: 153 104.846 2.434 0.901 0.624 0.941 0.757 CB 1.738 153 residues pruned to eliminate duplicates Z: 100 90.154 2.504 0.976 0.605 0.929 0.687 CB 1.783 100 residues pruned to eliminate duplicates Z: 101 85.517 2.485 0.937 0.574 0.930 0.680 CB 1.778 101 residues pruned to eliminate duplicates Z: 51 62.650 2.477 0.811 0.683 0.940 0.780 CB 1.776 51 residues pruned to eliminate duplicates Z: 111 89.056 2.464 0.967 0.585 0.927 0.673 CB 1.741 111 residues pruned to eliminate duplicates Z: 107 90.372 2.449 0.975 0.590 0.953 0.670 CB 1.747 107 residues pruned to eliminate duplicates Z: 103 84.103 2.433 0.963 0.595 0.931 0.647 CB 1.709 103 residues pruned to eliminate duplicates Z: 69 73.565 2.506 0.871 0.614 0.941 0.647 CB 1.815 69 residues pruned to eliminate duplicates Z: 56 71.995 2.523 0.863 0.659 0.982 0.764 CB 1.814 56 residues pruned to eliminate duplicates Z: 6 8.254 2.073 0.442 0.388 1.000 0.600 CA 1.390 6 residues pruned to eliminate duplicates Z: 110 94.300 2.522 1.014 0.588 0.936 0.725 CB 1.747 110 residues pruned to eliminate duplicates Z: 153 108.377 2.432 0.935 0.629 0.947 0.743 CB 1.746 153 residues pruned to eliminate duplicates Z: 71 74.255 2.473 0.952 0.593 0.943 0.686 CB 1.785 71 residues pruned to eliminate duplicates Z: 52 63.444 2.519 0.861 0.608 0.922 0.627 CB 1.856 52 residues pruned to eliminate duplicates Z: 154 105.181 2.420 0.943 0.619 0.941 0.712 CB 1.717 154 residues pruned to eliminate duplicates Z: 53 65.883 2.496 0.852 0.659 0.962 0.827 CB 1.773 53 residues pruned to eliminate duplicates Z: 152 106.899 2.436 0.918 0.619 0.954 0.728 CB 1.743 152 residues pruned to eliminate duplicates Z: 92 70.836 2.413 0.957 0.554 0.890 0.626 CB 1.677 92 residues pruned to eliminate duplicates Z: 107 96.046 2.510 1.036 0.597 0.953 0.689 CB 1.745 107 residues pruned to eliminate duplicates Z: 54 65.665 2.482 0.915 0.618 0.962 0.679 CB 1.764 54 residues pruned to eliminate duplicates Z: 46 66.107 2.547 0.891 0.646 0.956 0.733 CB 1.868 46 residues pruned to eliminate duplicates Z: 84 79.022 2.487 0.920 0.599 0.928 0.675 CB 1.781 84 residues pruned to eliminate duplicates Z: 54 65.221 2.491 0.917 0.642 0.925 0.698 CB 1.777 54 residues pruned to eliminate duplicates Z: 101 95.570 2.500 1.065 0.600 0.960 0.680 CB 1.753 101 residues pruned to eliminate duplicates Z: 45 66.799 2.548 0.956 0.643 0.932 0.682 CB 1.897 45 residues pruned to eliminate duplicates Z: 128 99.912 2.446 1.009 0.626 0.921 0.724 CB 1.739 128 residues pruned to eliminate duplicates Z: 129 105.172 2.458 0.984 0.633 0.961 0.766 CB 1.750 129 residues pruned to eliminate duplicates Z: 69 76.846 2.496 0.970 0.601 0.956 0.618 CB 1.801 69 residues pruned to eliminate duplicates Z: 71 71.250 2.432 0.998 0.595 0.914 0.700 CB 1.751 71 residues pruned to eliminate duplicates Z: 58 56.673 2.407 0.929 0.582 0.895 0.684 CB 1.670 58 residues pruned to eliminate duplicates Z: 84 80.694 2.476 1.014 0.596 0.940 0.699 CB 1.725 84 residues pruned to eliminate duplicates Z: 152 105.683 2.442 0.964 0.617 0.927 0.695 CB 1.732 152 residues pruned to eliminate duplicates Z: 84 80.812 2.490 1.009 0.590 0.928 0.687 CB 1.754 84 residues pruned to eliminate duplicates Z: 76 87.684 2.532 1.122 0.632 0.933 0.747 CB 1.783 76 residues pruned to eliminate duplicates Z: 77 80.275 2.507 1.167 0.580 0.908 0.658 CB 1.728 77 residues pruned to eliminate duplicates Z: 45 66.811 2.543 0.991 0.645 0.955 0.727 CB 1.820 45 residues pruned to eliminate duplicates Z: 109 97.117 2.499 1.103 0.585 0.944 0.657 CB 1.736 109 residues pruned to eliminate duplicates Z: 152 111.680 2.450 1.024 0.617 0.947 0.702 CB 1.732 152 residues pruned to eliminate duplicates Z: 153 103.072 2.428 0.936 0.597 0.934 0.651 CB 1.736 153 residues pruned to eliminate duplicates Z: 76 85.876 2.539 1.079 0.609 0.947 0.707 CB 1.789 76 residues pruned to eliminate duplicates Z: 68 58.315 2.383 0.857 0.547 0.925 0.627 CB 1.662 68 residues pruned to eliminate duplicates Z: 101 87.872 2.480 1.044 0.575 0.920 0.660 CB 1.754 101 residues pruned to eliminate duplicates Z: 69 73.887 2.508 1.011 0.610 0.897 0.662 CB 1.783 69 residues pruned to eliminate duplicates Z: 85 71.459 2.447 0.940 0.564 0.905 0.619 CB 1.705 85 residues pruned to eliminate duplicates Z: 22 28.140 2.260 0.873 0.413 1.000 0.429 CB 1.589 22 residues pruned to eliminate duplicates Z: 24 25.912 2.204 0.827 0.369 0.957 0.435 CB 1.614 24 residues pruned to eliminate duplicates Z: 103 78.338 2.391 0.928 0.575 0.922 0.706 CB 1.699 103 residues pruned to eliminate duplicates Z: 72 72.145 2.448 1.044 0.587 0.915 0.690 CB 1.720 72 residues pruned to eliminate duplicates Z: 53 49.038 2.418 0.966 0.467 0.885 0.538 CB 1.672 53 residues pruned to eliminate duplicates Z: 69 76.080 2.481 0.991 0.608 0.941 0.662 CB 1.790 69 residues pruned to eliminate duplicates Z: 102 85.370 2.471 1.023 0.574 0.921 0.693 CB 1.719 102 residues pruned to eliminate duplicates Z: 100 96.383 2.509 1.174 0.597 0.919 0.667 CB 1.761 100 residues pruned to eliminate duplicates Z: 152 103.152 2.435 0.933 0.600 0.934 0.695 CB 1.736 152 residues pruned to eliminate duplicates Z: 128 104.968 2.457 1.031 0.640 0.937 0.732 CB 1.748 128 residues pruned to eliminate duplicates Z: 103 81.273 2.410 0.968 0.576 0.931 0.696 CB 1.693 103 residues pruned to eliminate duplicates Z: 78 88.851 2.530 1.156 0.617 0.948 0.740 CB 1.753 78 residues pruned to eliminate duplicates Z: 91 77.701 2.422 0.854 0.634 0.911 0.689 CB 1.765 91 residues pruned to eliminate duplicates Z: 151 96.678 2.420 0.953 0.599 0.893 0.700 CB 1.702 151 residues pruned to eliminate duplicates Z: 152 107.037 2.448 0.961 0.614 0.940 0.735 CB 1.733 152 residues pruned to eliminate duplicates Z: 111 96.114 2.493 1.089 0.572 0.945 0.664 CB 1.736 111 residues pruned to eliminate duplicates Z: 32 55.751 2.454 1.249 0.590 0.968 0.677 CB 1.721 32 residues pruned to eliminate duplicates Z: 60 74.068 2.522 1.045 0.608 0.966 0.661 CB 1.747 60 residues pruned to eliminate duplicates Z: 32 26.920 2.312 0.811 0.430 0.839 0.516 CB 1.481 32 residues pruned to eliminate duplicates Z: 84 78.368 2.386 1.013 0.624 0.940 0.711 CB 1.696 84 residues pruned to eliminate duplicates Z: 152 106.422 2.436 1.003 0.623 0.921 0.702 CB 1.718 152 residues pruned to eliminate duplicates Z: 153 106.404 2.402 1.001 0.614 0.947 0.697 CB 1.701 153 residues pruned to eliminate duplicates Z: 52 58.188 2.465 1.123 0.527 0.902 0.569 CB 1.681 52 residues pruned to eliminate duplicates Z: 100 92.905 2.486 1.114 0.595 0.919 0.717 CB 1.765 100 residues pruned to eliminate duplicates Z: 151 101.547 2.385 1.009 0.597 0.933 0.667 CB 1.689 151 residues pruned to eliminate duplicates Z: 83 76.904 2.384 0.952 0.634 0.939 0.744 CB 1.714 83 residues pruned to eliminate duplicates Z: 88 74.475 2.342 0.992 0.610 0.931 0.701 CB 1.656 88 residues pruned to eliminate duplicates Z: 76 90.275 2.537 1.251 0.633 0.920 0.587 CB 1.752 76 residues pruned to eliminate duplicates Z: 102 89.192 2.461 1.125 0.594 0.911 0.644 CB 1.703 102 residues pruned to eliminate duplicates Z: 41 52.280 2.423 1.266 0.540 0.925 0.725 CB 1.565 41 residues pruned to eliminate duplicates Z: 84 79.317 2.371 0.972 0.653 0.952 0.711 CB 1.698 84 residues pruned to eliminate duplicates Z: 151 107.262 2.440 1.017 0.622 0.920 0.727 CB 1.724 151 residues pruned to eliminate duplicates Z: 120 94.912 2.469 1.105 0.564 0.933 0.672 CB 1.687 120 residues pruned to eliminate duplicates Z: 100 85.337 2.490 1.031 0.576 0.909 0.667 CB 1.733 100 residues pruned to eliminate duplicates Z: 128 102.817 2.454 0.989 0.630 0.961 0.740 CB 1.722 128 residues pruned to eliminate duplicates Z: 84 76.055 2.398 0.987 0.615 0.940 0.759 CB 1.672 84 residues pruned to eliminate duplicates Z: 41 48.205 2.460 1.103 0.492 0.925 0.625 CB 1.606 41 residues pruned to eliminate duplicates Z: 83 76.991 2.401 0.956 0.618 0.951 0.744 CB 1.702 83 residues pruned to eliminate duplicates Z: 129 100.128 2.442 0.991 0.627 0.938 0.711 CB 1.722 129 residues pruned to eliminate duplicates Z: 84 77.432 2.392 0.987 0.630 0.940 0.759 CB 1.683 84 residues pruned to eliminate duplicates Z: 87 94.401 2.544 1.201 0.608 0.953 0.744 CB 1.721 87 residues pruned to eliminate duplicates Z: 85 78.181 2.381 1.025 0.618 0.952 0.774 CB 1.662 85 residues pruned to eliminate duplicates Z: 83 72.985 2.376 0.945 0.600 0.951 0.707 CB 1.667 83 residues pruned to eliminate duplicates Z: 152 105.733 2.441 1.002 0.598 0.934 0.728 CB 1.718 152 residues pruned to eliminate duplicates Z: 103 80.882 2.407 0.994 0.575 0.922 0.696 CB 1.684 103 residues pruned to eliminate duplicates Z: 68 67.035 2.386 0.848 0.623 0.955 0.821 CB 1.732 68 residues pruned to eliminate duplicates Z: 72 71.644 2.379 0.978 0.621 0.958 0.775 CB 1.682 72 residues pruned to eliminate duplicates Z: 153 103.771 2.410 0.998 0.599 0.921 0.691 CB 1.727 153 residues pruned to eliminate duplicates Z: 52 58.397 2.317 0.888 0.647 0.941 0.765 CB 1.731 52 residues pruned to eliminate duplicates Z: 73 66.229 2.374 0.901 0.607 0.917 0.778 CB 1.705 73 residues pruned to eliminate duplicates Z: 152 108.867 2.445 1.023 0.604 0.940 0.728 CB 1.726 152 residues pruned to eliminate duplicates Z: 57 53.277 2.320 0.816 0.604 0.911 0.679 CB 1.680 57 residues pruned to eliminate duplicates Z: 107 83.168 2.361 0.999 0.604 0.915 0.698 CB 1.694 107 residues pruned to eliminate duplicates Z: 48 51.510 2.257 0.737 0.690 0.936 0.787 CB 1.720 48 residues pruned to eliminate duplicates Z: 67 63.259 2.345 0.892 0.638 0.924 0.803 CB 1.668 67 residues pruned to eliminate duplicates Z: 53 54.224 2.312 0.790 0.631 0.923 0.769 CB 1.741 53 residues pruned to eliminate duplicates Z: 85 73.679 2.361 0.930 0.623 0.952 0.798 CB 1.650 85 residues pruned to eliminate duplicates Z: 105 78.195 2.392 0.978 0.561 0.923 0.692 CB 1.655 105 residues pruned to eliminate duplicates Z: 87 68.836 2.340 0.950 0.577 0.907 0.698 CB 1.665 87 residues pruned to eliminate duplicates Z: 153 105.214 2.431 1.021 0.596 0.921 0.711 CB 1.720 153 residues pruned to eliminate duplicates Z: 84 74.943 2.378 0.955 0.603 0.952 0.723 CB 1.685 84 residues pruned to eliminate duplicates Z: 46 55.412 2.293 0.832 0.701 0.956 0.844 CB 1.714 46 residues pruned to eliminate duplicates Z: 47 52.499 2.271 0.706 0.706 0.957 0.848 CB 1.733 47 residues pruned to eliminate duplicates Z: 46 53.487 2.296 0.805 0.683 0.933 0.778 CB 1.743 46 residues pruned to eliminate duplicates Z: 85 74.626 2.332 0.981 0.627 0.929 0.702 CB 1.684 85 residues pruned to eliminate duplicates Z: 83 80.710 2.403 1.030 0.632 0.939 0.780 CB 1.719 83 residues pruned to eliminate duplicates Z: 71 66.652 2.339 0.909 0.599 0.943 0.700 CB 1.721 71 residues pruned to eliminate duplicates Z: 152 107.674 2.442 0.999 0.612 0.934 0.682 CB 1.729 152 residues pruned to eliminate duplicates Z: 83 79.049 2.408 0.960 0.642 0.951 0.805 CB 1.703 83 residues pruned to eliminate duplicates Z: 58 44.656 2.185 0.703 0.600 0.895 0.667 CB 1.616 58 residues pruned to eliminate duplicates Z: 152 107.766 2.444 1.010 0.606 0.934 0.709 CB 1.730 152 residues pruned to eliminate duplicates Z: 89 65.771 2.260 0.895 0.600 0.920 0.716 CB 1.618 89 residues pruned to eliminate duplicates Z: 128 103.240 2.439 1.050 0.634 0.937 0.740 CB 1.725 128 residues pruned to eliminate duplicates Z: 84 78.702 2.384 1.009 0.640 0.952 0.759 CB 1.663 84 residues pruned to eliminate duplicates Z: 84 81.565 2.390 1.104 0.610 0.952 0.723 CB 1.686 84 residues pruned to eliminate duplicates Z: 129 106.381 2.453 1.039 0.619 0.961 0.758 CB 1.748 129 residues pruned to eliminate duplicates Z: 84 79.971 2.390 1.028 0.617 0.952 0.687 CB 1.703 84 residues pruned to eliminate duplicates Z: 101 76.943 2.342 0.862 0.606 0.940 0.660 CB 1.697 101 residues pruned to eliminate duplicates Z: 136 75.411 2.276 0.828 0.576 0.904 0.667 CB 1.605 136 residues pruned to eliminate duplicates Z: 48 48.784 2.267 0.825 0.669 0.894 0.766 CB 1.647 48 residues pruned to eliminate duplicates Z: 84 77.166 2.382 1.007 0.611 0.940 0.783 CB 1.697 84 residues pruned to eliminate duplicates Z: 84 73.369 2.379 0.974 0.606 0.928 0.747 CB 1.672 84 residues pruned to eliminate duplicates Z: 49 51.320 2.216 0.736 0.684 0.958 0.729 CB 1.697 49 residues pruned to eliminate duplicates Z: 33 46.918 2.254 0.660 0.774 1.000 0.812 CB 1.739 33 residues pruned to eliminate duplicates Z: 153 107.114 2.422 1.037 0.615 0.928 0.724 CB 1.703 153 residues pruned to eliminate duplicates Z: 83 79.451 2.395 1.021 0.623 0.951 0.720 CB 1.697 83 residues pruned to eliminate duplicates Z: 85 66.510 2.325 0.944 0.581 0.917 0.679 CB 1.620 85 residues pruned to eliminate duplicates Z: 151 105.804 2.448 0.961 0.597 0.953 0.687 CB 1.722 151 residues pruned to eliminate duplicates Z: 47 52.119 2.215 0.828 0.673 0.935 0.761 CB 1.731 47 residues pruned to eliminate duplicates Z: 68 72.343 2.336 1.018 0.651 0.940 0.791 CB 1.731 68 residues pruned to eliminate duplicates Z: 152 109.800 2.449 1.019 0.610 0.940 0.722 CB 1.731 152 residues pruned to eliminate duplicates Z: 109 86.887 2.383 0.969 0.637 0.907 0.685 CB 1.727 109 residues pruned to eliminate duplicates Z: 59 59.124 2.257 0.924 0.624 0.948 0.724 CB 1.677 59 residues pruned to eliminate duplicates Z: 152 107.960 2.431 1.060 0.610 0.921 0.695 CB 1.717 152 residues pruned to eliminate duplicates Z: 46 53.626 2.276 0.878 0.687 0.933 0.756 CB 1.689 46 residues pruned to eliminate duplicates Z: 111 77.625 2.326 1.001 0.565 0.909 0.700 CB 1.643 111 residues pruned to eliminate duplicates Z: 239 125.003 2.390 0.987 0.592 0.937 0.702 CB 1.668 239 residues pruned to eliminate duplicates Z: 26 33.502 2.176 0.992 0.527 0.920 0.560 CB 1.636 26 residues pruned to eliminate duplicates Z: 153 107.065 2.400 1.026 0.606 0.947 0.711 CB 1.704 153 residues pruned to eliminate duplicates Z: 178 112.021 2.400 1.075 0.586 0.921 0.650 CB 1.691 178 residues pruned to eliminate duplicates Z: 112 73.312 2.323 0.904 0.550 0.910 0.622 CB 1.646 112 residues pruned to eliminate duplicates Z: 112 77.108 2.326 0.960 0.566 0.919 0.712 CB 1.639 112 residues pruned to eliminate duplicates Z: 28 27.643 2.113 0.819 0.494 0.926 0.593 CB 1.504 28 residues pruned to eliminate duplicates Z: 26 30.992 2.183 0.713 0.538 0.960 0.680 CB 1.663 26 residues pruned to eliminate duplicates Z: 112 73.962 2.326 0.852 0.562 0.946 0.667 CB 1.622 112 residues pruned to eliminate duplicates Z: 24 33.828 2.251 0.755 0.569 1.000 0.696 CB 1.669 24 residues pruned to eliminate duplicates Z: 24 32.795 2.259 0.697 0.548 1.000 0.696 CB 1.702 24 residues pruned to eliminate duplicates Z: 25 31.606 2.238 0.715 0.534 1.000 0.667 CB 1.626 25 residues pruned to eliminate duplicates Z: 68 52.044 2.300 0.714 0.583 0.940 0.627 CB 1.583 68 residues pruned to eliminate duplicates Z: 23 35.751 2.304 0.803 0.576 1.000 0.636 CB 1.705 23 residues pruned to eliminate duplicates Z: 27 30.121 2.115 0.764 0.507 1.000 0.538 CB 1.573 27 residues pruned to eliminate duplicates Z: 27 34.023 2.184 0.826 0.551 0.962 0.577 CB 1.656 27 residues pruned to eliminate duplicates Z: 120 80.772 2.329 0.940 0.572 0.933 0.731 CB 1.638 120 residues pruned to eliminate duplicates Z: 120 81.974 2.332 0.918 0.581 0.933 0.697 CB 1.666 120 residues pruned to eliminate duplicates Z: 112 75.360 2.326 0.865 0.573 0.928 0.676 CB 1.657 112 residues pruned to eliminate duplicates Z: 73 54.987 2.267 0.796 0.595 0.917 0.569 CB 1.586 73 residues pruned to eliminate duplicates Z: 74 59.423 2.268 0.913 0.595 0.932 0.616 CB 1.572 74 residues pruned to eliminate duplicates Z: 25 31.558 2.213 0.726 0.556 0.958 0.625 CB 1.667 25 residues pruned to eliminate duplicates Z: 113 70.544 2.304 0.850 0.558 0.929 0.625 CB 1.591 113 residues pruned to eliminate duplicates Z: 111 75.723 2.332 0.875 0.558 0.945 0.636 CB 1.650 111 residues pruned to eliminate duplicates Z: 102 68.455 2.295 0.893 0.559 0.921 0.683 CB 1.608 102 residues pruned to eliminate duplicates Z: 84 63.311 2.305 0.856 0.575 0.940 0.651 CB 1.608 84 residues pruned to eliminate duplicates Z: 119 83.875 2.332 0.971 0.579 0.932 0.678 CB 1.670 119 residues pruned to eliminate duplicates Z: 150 88.973 2.285 0.861 0.601 0.953 0.698 CB 1.633 150 residues pruned to eliminate duplicates Z: 150 75.489 2.235 0.810 0.554 0.933 0.685 CB 1.554 150 residues pruned to eliminate duplicates Z: 150 84.108 2.278 0.836 0.582 0.946 0.691 CB 1.609 150 residues pruned to eliminate duplicates Z: 63 50.942 2.324 0.818 0.574 0.919 0.710 CB 1.551 63 residues pruned to eliminate duplicates Z: 121 74.950 2.291 0.898 0.550 0.925 0.642 CB 1.620 121 residues pruned to eliminate duplicates Z: 89 61.927 2.290 0.864 0.564 0.920 0.670 CB 1.579 89 residues pruned to eliminate duplicates Z: 62 54.124 2.320 0.877 0.579 0.934 0.656 CB 1.578 62 residues pruned to eliminate duplicates Z: 110 73.219 2.312 0.933 0.573 0.908 0.661 CB 1.610 110 residues pruned to eliminate duplicates Z: 88 60.972 2.291 0.820 0.564 0.931 0.667 CB 1.583 88 residues pruned to eliminate duplicates Z: 113 73.546 2.311 0.890 0.559 0.938 0.616 CB 1.603 113 residues pruned to eliminate duplicates Z: 87 60.477 2.272 0.863 0.549 0.930 0.628 CB 1.579 87 residues pruned to eliminate duplicates Z: 121 81.013 2.313 0.947 0.574 0.942 0.667 CB 1.624 121 residues pruned to eliminate duplicates Z: 150 84.959 2.274 0.854 0.580 0.940 0.718 CB 1.627 150 residues pruned to eliminate duplicates Z: 72 62.636 2.302 0.906 0.589 0.972 0.676 CB 1.600 72 residues pruned to eliminate duplicates Z: 110 76.094 2.315 0.900 0.589 0.927 0.624 CB 1.643 110 residues pruned to eliminate duplicates Z: 121 84.060 2.323 1.005 0.575 0.933 0.675 CB 1.641 121 residues pruned to eliminate duplicates Z: 88 62.804 2.304 0.882 0.559 0.920 0.609 CB 1.595 88 residues pruned to eliminate duplicates Z: 121 86.587 2.328 1.011 0.585 0.950 0.700 CB 1.638 121 residues pruned to eliminate duplicates Z: 110 77.167 2.340 0.951 0.563 0.945 0.706 CB 1.612 110 residues pruned to eliminate duplicates Z: 88 62.996 2.305 0.873 0.562 0.920 0.609 CB 1.602 88 residues pruned to eliminate duplicates Z: 113 72.507 2.293 0.895 0.541 0.938 0.616 CB 1.615 113 residues pruned to eliminate duplicates Z: 29 52.723 2.400 1.051 0.753 1.000 0.786 CB 1.615 29 residues pruned to eliminate duplicates Z: 95 72.731 2.330 1.003 0.571 0.915 0.628 CB 1.640 95 residues pruned to eliminate duplicates Z: 121 81.222 2.308 0.958 0.566 0.950 0.667 CB 1.620 121 residues pruned to eliminate duplicates Z: 111 81.104 2.348 0.969 0.581 0.936 0.727 CB 1.652 111 residues pruned to eliminate duplicates Z: 90 62.289 2.280 0.910 0.555 0.910 0.629 CB 1.578 90 residues pruned to eliminate duplicates Z: 45 49.323 2.356 0.951 0.613 0.909 0.636 CB 1.598 45 residues pruned to eliminate duplicates Z: 60 54.005 2.352 0.901 0.574 0.932 0.644 CB 1.571 60 residues pruned to eliminate duplicates Z: 86 64.786 2.300 0.853 0.582 0.953 0.659 CB 1.600 86 residues pruned to eliminate duplicates Z: 73 57.884 2.286 0.896 0.559 0.931 0.611 CB 1.598 73 residues pruned to eliminate duplicates Z: 99 71.708 2.297 1.005 0.563 0.929 0.663 CB 1.594 99 residues pruned to eliminate duplicates Z: 150 91.900 2.285 0.939 0.589 0.960 0.691 CB 1.626 152 residues pruned to eliminate duplicates Z: 6 8.976 1.990 0.548 0.395 1.000 0.600 CB 1.456 6 residues pruned to eliminate duplicates Z: 105 70.636 2.281 0.972 0.546 0.933 0.721 CB 1.578 105 residues pruned to eliminate duplicates Z: 90 65.240 2.283 0.970 0.561 0.921 0.663 CB 1.573 90 residues pruned to eliminate duplicates Z: 146 86.510 2.285 0.935 0.587 0.931 0.628 CB 1.605 145 residues pruned to eliminate duplicates Z: 6 5.304 1.695 0.457 0.286 1.000 0.400 CB 1.223 6 residues pruned to eliminate duplicates Z: 112 78.437 2.325 1.011 0.568 0.919 0.667 CB 1.623 112 residues pruned to eliminate duplicates Z: 68 47.371 2.176 0.933 0.539 0.925 0.612 CB 1.431 68 residues pruned to eliminate duplicates Z: 150 87.519 2.279 0.901 0.579 0.946 0.691 CB 1.621 150 residues pruned to eliminate duplicates Z: 112 77.274 2.310 0.951 0.566 0.946 0.676 CB 1.613 112 residues pruned to eliminate duplicates Z: 60 46.390 2.295 0.880 0.497 0.898 0.661 CB 1.563 60 residues pruned to eliminate duplicates Z: 98 65.054 2.246 0.869 0.560 0.928 0.680 CB 1.599 98 residues pruned to eliminate duplicates Z: 83 43.591 2.186 0.953 0.458 0.829 0.561 CB 1.420 83 residues pruned to eliminate duplicates Z: 112 74.909 2.308 0.926 0.564 0.937 0.694 CB 1.605 112 residues pruned to eliminate duplicates Z: 120 83.886 2.322 1.019 0.569 0.933 0.681 CB 1.646 120 residues pruned to eliminate duplicates Z: 80 56.161 2.282 0.957 0.534 0.924 0.658 CB 1.481 80 residues pruned to eliminate duplicates Z: 113 79.044 2.314 0.988 0.579 0.938 0.714 CB 1.605 113 residues pruned to eliminate duplicates Z: 85 70.907 2.354 0.941 0.609 0.964 0.702 CB 1.583 85 residues pruned to eliminate duplicates Z: 97 65.774 2.278 0.965 0.554 0.927 0.656 CB 1.535 97 residues pruned to eliminate duplicates Z: 36 33.744 2.261 0.968 0.475 0.886 0.629 CB 1.484 36 residues pruned to eliminate duplicates Z: 87 70.021 2.314 0.980 0.573 0.953 0.651 CB 1.611 87 residues pruned to eliminate duplicates Z: 111 77.200 2.323 0.955 0.567 0.936 0.673 CB 1.623 111 residues pruned to eliminate duplicates Z: 111 78.729 2.342 0.942 0.573 0.945 0.709 CB 1.627 111 residues pruned to eliminate duplicates Z: 111 68.315 2.279 0.933 0.526 0.918 0.655 CB 1.571 111 residues pruned to eliminate duplicates Z: 41 51.237 2.377 1.031 0.568 0.925 0.700 CB 1.699 41 residues pruned to eliminate duplicates Z: 60 52.195 2.304 1.006 0.508 0.915 0.695 CB 1.594 60 residues pruned to eliminate duplicates Z: 97 71.337 2.295 1.010 0.569 0.938 0.667 CB 1.576 97 residues pruned to eliminate duplicates Z: 106 64.963 2.250 0.940 0.537 0.905 0.667 CB 1.548 106 residues pruned to eliminate duplicates Z: 78 59.615 2.308 1.000 0.552 0.922 0.675 CB 1.517 78 residues pruned to eliminate duplicates Z: 111 79.557 2.333 1.004 0.572 0.936 0.727 CB 1.616 111 residues pruned to eliminate duplicates Z: 150 86.279 2.284 0.861 0.582 0.953 0.698 CB 1.613 150 residues pruned to eliminate duplicates Z: 61 49.886 2.306 0.978 0.501 0.900 0.600 CB 1.567 61 residues pruned to eliminate duplicates Z: 121 80.865 2.314 1.011 0.575 0.917 0.692 CB 1.609 121 residues pruned to eliminate duplicates Z: 98 66.318 2.247 0.888 0.558 0.938 0.711 CB 1.600 98 residues pruned to eliminate duplicates Z: 120 76.281 2.262 1.017 0.561 0.924 0.689 CB 1.563 120 residues pruned to eliminate duplicates Z: 104 66.959 2.289 0.962 0.537 0.922 0.699 CB 1.535 104 residues pruned to eliminate duplicates Z: 78 65.514 2.272 0.938 0.589 0.948 0.727 CB 1.641 78 residues pruned to eliminate duplicates Z: 49 57.068 2.339 1.075 0.555 0.938 0.646 CB 1.717 49 residues pruned to eliminate duplicates Z: 50 43.204 2.247 0.981 0.457 0.898 0.633 CB 1.614 50 residues pruned to eliminate duplicates Z: 18 23.756 2.168 0.875 0.451 0.941 0.647 CB 1.584 18 residues pruned to eliminate duplicates Z: 121 80.074 2.301 1.019 0.573 0.917 0.675 CB 1.600 121 residues pruned to eliminate duplicates Z: 23 19.137 2.037 0.784 0.461 0.818 0.591 CB 1.427 23 residues pruned to eliminate duplicates Z: 50 48.188 2.271 0.980 0.544 0.878 0.714 CB 1.672 50 residues pruned to eliminate duplicates Z: 83 70.650 2.370 1.002 0.591 0.939 0.720 CB 1.605 83 residues pruned to eliminate duplicates Z: 28 34.439 2.310 1.076 0.485 0.889 0.741 CB 1.579 28 residues pruned to eliminate duplicates Z: 59 44.462 2.336 0.883 0.444 0.897 0.672 CB 1.568 59 residues pruned to eliminate duplicates Z: 61 44.005 2.272 0.874 0.480 0.900 0.683 CB 1.513 61 residues pruned to eliminate duplicates Z: 10 15.516 2.012 0.970 0.420 1.000 0.667 CA 1.419 10 residues pruned to eliminate duplicates Z: 42 41.487 2.274 1.001 0.496 0.902 0.732 CB 1.584 42 residues pruned to eliminate duplicates Z: 79 59.991 2.251 0.844 0.577 0.936 0.654 CB 1.623 79 residues pruned to eliminate duplicates Z: 61 46.742 2.261 1.004 0.463 0.917 0.717 CB 1.509 61 residues pruned to eliminate duplicates Z: 49 52.944 2.308 1.049 0.559 0.917 0.729 CB 1.665 49 residues pruned to eliminate duplicates Z: 19 31.537 2.123 0.977 0.558 1.000 0.722 CA 1.675 19 residues pruned to eliminate duplicates Z: 52 44.589 2.169 0.740 0.560 0.961 0.686 CB 1.625 53 residues pruned to eliminate duplicates Z: 6 5.051 1.773 1.250 0.225 0.600 0.400 CA 1.302 6 residues pruned to eliminate duplicates Z: 41 37.942 2.122 0.737 0.635 0.900 0.725 CB 1.593 41 residues pruned to eliminate duplicates Z: 68 52.368 2.322 0.959 0.494 0.881 0.687 CB 1.607 68 residues pruned to eliminate duplicates Z: 68 56.214 2.304 0.946 0.519 0.940 0.672 CB 1.599 68 residues pruned to eliminate duplicates Z: 121 80.619 2.316 0.980 0.569 0.925 0.750 CB 1.622 121 residues pruned to eliminate duplicates Z: 126 78.114 2.272 0.948 0.572 0.936 0.712 CB 1.573 126 residues pruned to eliminate duplicates Z: 79 55.750 2.247 0.762 0.543 0.936 0.705 CB 1.633 79 residues pruned to eliminate duplicates Z: 54 41.231 2.105 0.708 0.537 0.925 0.642 CB 1.643 54 residues pruned to eliminate duplicates Z: 32 26.628 2.053 0.546 0.590 0.903 0.710 CB 1.531 32 residues pruned to eliminate duplicates Z: 41 34.570 2.142 0.568 0.581 0.950 0.775 CB 1.585 41 residues pruned to eliminate duplicates Z: 28 33.165 2.190 0.595 0.661 0.963 0.778 CB 1.634 28 residues pruned to eliminate duplicates Z: 28 29.707 2.161 0.532 0.617 0.926 0.815 CB 1.670 28 residues pruned to eliminate duplicates Z: 29 29.168 2.142 0.529 0.635 0.929 0.786 CB 1.598 29 residues pruned to eliminate duplicates Z: 29 29.366 2.132 0.481 0.658 0.964 0.714 CB 1.575 29 residues pruned to eliminate duplicates Z: 29 31.176 2.138 0.581 0.645 0.964 0.821 CB 1.578 29 residues pruned to eliminate duplicates Z: 29 30.535 2.138 0.528 0.651 0.964 0.821 CB 1.592 29 residues pruned to eliminate duplicates Z: 29 30.894 2.131 0.575 0.652 0.964 0.786 CB 1.565 29 residues pruned to eliminate duplicates Z: 29 35.316 2.131 0.764 0.693 0.964 0.786 CB 1.543 29 residues pruned to eliminate duplicates Z: 29 31.349 2.138 0.594 0.675 0.929 0.786 CB 1.593 29 residues pruned to eliminate duplicates Z: 28 34.063 2.158 0.689 0.649 0.963 0.778 CB 1.625 28 residues pruned to eliminate duplicates Z: 28 32.326 2.181 0.568 0.654 0.963 0.815 CB 1.636 28 residues pruned to eliminate duplicates Z: 29 32.842 2.127 0.640 0.646 0.964 0.750 CB 1.609 29 residues pruned to eliminate duplicates Z: 29 33.618 2.124 0.676 0.695 0.964 0.786 CB 1.548 29 residues pruned to eliminate duplicates Z: 28 34.019 2.196 0.618 0.680 0.963 0.815 CB 1.623 28 residues pruned to eliminate duplicates Z: 32 30.827 2.051 0.658 0.615 0.968 0.677 CB 1.509 32 residues pruned to eliminate duplicates Z: 29 30.766 2.124 0.592 0.648 0.964 0.786 CB 1.553 29 residues pruned to eliminate duplicates Z: 121 79.769 2.304 0.899 0.595 0.942 0.725 CB 1.614 121 residues pruned to eliminate duplicates Z: 29 30.648 2.128 0.620 0.631 0.964 0.750 CB 1.539 29 residues pruned to eliminate duplicates Z: 29 33.165 2.129 0.694 0.656 0.964 0.750 CB 1.558 29 residues pruned to eliminate duplicates Z: 29 33.365 2.130 0.680 0.663 0.964 0.786 CB 1.571 29 residues pruned to eliminate duplicates Z: 139 80.987 2.274 0.909 0.580 0.935 0.703 CB 1.573 139 residues pruned to eliminate duplicates Z: 29 33.365 2.127 0.769 0.649 0.964 0.679 CB 1.513 29 residues pruned to eliminate duplicates Z: 29 29.241 2.071 0.569 0.655 0.964 0.679 CB 1.526 28 residues pruned to eliminate duplicates Z: 17 27.259 2.038 0.594 0.899 1.000 0.688 CB 1.499 17 residues pruned to eliminate duplicates Z: 17 26.014 2.041 0.538 0.905 1.000 0.688 CB 1.475 17 residues pruned to eliminate duplicates Z: 29 30.970 2.135 0.567 0.655 0.964 0.857 CB 1.570 29 residues pruned to eliminate duplicates Z: 19 14.328 1.773 0.523 0.541 0.944 0.500 CB 1.273 19 residues pruned to eliminate duplicates Z: 8 5.511 1.561 0.085 0.484 1.000 0.714 CB 1.251 8 residues pruned to eliminate duplicates Z: 19 16.643 1.875 0.539 0.532 1.000 0.722 CB 1.317 19 residues pruned to eliminate duplicates Z: 18 18.975 1.936 0.641 0.603 0.941 0.706 CB 1.395 18 residues pruned to eliminate duplicates Z: 18 17.827 1.900 0.552 0.592 1.000 0.706 CB 1.343 18 residues pruned to eliminate duplicates Z: 18 18.562 1.904 0.741 0.589 0.941 0.647 CB 1.325 18 residues pruned to eliminate duplicates Z: 19 16.160 1.822 0.825 0.556 0.833 0.611 CB 1.302 19 residues pruned to eliminate duplicates Z: 9 7.815 1.735 0.932 0.504 0.750 0.625 CB 1.094 9 residues pruned to eliminate duplicates Z: 19 17.790 1.849 0.686 0.563 0.944 0.611 CB 1.339 19 residues pruned to eliminate duplicates Z: 17 17.914 1.902 0.679 0.559 0.938 0.625 CB 1.413 17 residues pruned to eliminate duplicates Z: 18 19.490 1.913 0.656 0.600 1.000 0.706 CB 1.357 18 residues pruned to eliminate duplicates Z: 6 3.695 1.587 0.318 0.646 1.000 0.400 CA 0.690 6 residues pruned to eliminate duplicates Z: 18 19.534 1.924 0.690 0.601 0.941 0.647 CB 1.407 18 residues pruned to eliminate duplicates Z: 19 16.558 1.828 0.556 0.556 0.944 0.722 CB 1.376 19 residues pruned to eliminate duplicates Z: 17 16.885 1.890 0.590 0.550 0.938 0.625 CB 1.427 17 residues pruned to eliminate duplicates Z: 75 59.677 2.250 0.823 0.613 0.946 0.689 CB 1.606 75 residues pruned to eliminate duplicates Z: 74 58.179 2.247 0.766 0.629 0.959 0.726 CB 1.584 74 residues pruned to eliminate duplicates Z: 43 42.998 2.272 0.652 0.642 0.929 0.690 CB 1.668 43 residues pruned to eliminate duplicates Z: 106 66.224 2.195 0.837 0.588 0.952 0.667 CB 1.547 106 residues pruned to eliminate duplicates Z: 44 49.716 2.239 0.868 0.650 0.953 0.721 CB 1.652 44 residues pruned to eliminate duplicates Z: 57 49.928 2.266 0.811 0.595 0.929 0.625 CB 1.599 57 residues pruned to eliminate duplicates Z: 43 50.029 2.276 0.829 0.644 0.976 0.690 CB 1.661 43 residues pruned to eliminate duplicates Z: 20 56.965 2.432 1.046 0.953 1.000 0.895 CB 1.807 20 residues pruned to eliminate duplicates Z: 43 50.134 2.262 0.910 0.644 0.952 0.690 CB 1.643 43 residues pruned to eliminate duplicates Z: 31 34.892 2.150 0.720 0.702 0.933 0.633 CB 1.535 31 residues pruned to eliminate duplicates Z: 44 51.474 2.233 0.942 0.628 0.977 0.674 CB 1.642 44 residues pruned to eliminate duplicates Z: 74 67.441 2.271 0.947 0.632 0.973 0.685 CB 1.622 74 residues pruned to eliminate duplicates Z: 33 46.243 2.314 0.916 0.661 0.969 0.750 CB 1.640 33 residues pruned to eliminate duplicates Z: 106 64.557 2.203 0.849 0.591 0.924 0.676 CB 1.535 106 residues pruned to eliminate duplicates Z: 105 67.600 2.217 0.931 0.589 0.933 0.702 CB 1.525 105 residues pruned to eliminate duplicates Z: 75 61.485 2.251 0.914 0.619 0.932 0.662 CB 1.590 75 residues pruned to eliminate duplicates Z: 44 50.810 2.252 0.904 0.619 0.977 0.674 CB 1.654 44 residues pruned to eliminate duplicates Z: 93 69.054 2.234 0.972 0.606 0.946 0.685 CB 1.563 93 residues pruned to eliminate duplicates Z: 43 51.340 2.250 0.900 0.667 0.976 0.690 CB 1.627 43 residues pruned to eliminate duplicates Z: 25 48.943 2.294 1.074 0.831 0.958 0.833 CB 1.647 25 residues pruned to eliminate duplicates Z: 72 67.273 2.288 1.034 0.619 0.958 0.690 CB 1.600 72 residues pruned to eliminate duplicates Z: 74 63.542 2.247 0.928 0.611 0.973 0.616 CB 1.589 74 residues pruned to eliminate duplicates Z: 47 46.602 2.178 0.875 0.617 0.935 0.609 CB 1.612 47 residues pruned to eliminate duplicates Z: 106 67.582 2.204 0.905 0.595 0.933 0.648 CB 1.538 106 residues pruned to eliminate duplicates Z: 82 46.840 2.148 0.838 0.489 0.926 0.605 CB 1.438 82 residues pruned to eliminate duplicates Z: 43 49.609 2.265 0.921 0.632 0.952 0.667 CB 1.632 43 residues pruned to eliminate duplicates Z: 42 50.642 2.267 0.931 0.650 0.951 0.683 CB 1.651 41 residues pruned to eliminate duplicates Z: 6 3.701 1.284 0.618 0.469 1.000 0.400 C 0.822 6 residues pruned to eliminate duplicates Z: 59 55.072 2.253 0.931 0.619 0.931 0.707 CB 1.595 59 residues pruned to eliminate duplicates Z: 74 62.924 2.262 0.926 0.620 0.932 0.630 CB 1.621 74 residues pruned to eliminate duplicates Z: 73 66.687 2.283 0.978 0.645 0.944 0.708 CB 1.609 73 residues pruned to eliminate duplicates Z: 43 49.482 2.252 0.905 0.669 0.952 0.714 CB 1.599 43 residues pruned to eliminate duplicates Z: 35 25.383 2.146 0.706 0.439 0.912 0.559 CB 1.389 35 residues pruned to eliminate duplicates Z: 58 53.355 2.230 0.897 0.632 0.947 0.649 CB 1.558 58 residues pruned to eliminate duplicates Z: 44 49.372 2.231 0.916 0.640 0.953 0.605 CB 1.621 44 residues pruned to eliminate duplicates Z: 74 65.892 2.272 0.979 0.643 0.945 0.658 CB 1.588 74 residues pruned to eliminate duplicates Z: 6 4.022 1.557 0.618 0.401 1.000 0.600 CB 0.792 6 residues pruned to eliminate duplicates Z: 55 41.824 2.139 0.904 0.491 0.889 0.593 CB 1.587 55 residues pruned to eliminate duplicates Z: 62 44.134 2.167 0.844 0.548 0.918 0.639 CB 1.470 62 residues pruned to eliminate duplicates Z: 53 40.919 2.148 0.942 0.532 0.904 0.692 CB 1.459 53 residues pruned to eliminate duplicates Z: 62 50.430 2.152 0.975 0.585 0.934 0.689 CB 1.499 62 residues pruned to eliminate duplicates Z: 32 39.417 2.241 1.006 0.588 0.935 0.677 CB 1.547 32 residues pruned to eliminate duplicates Z: 106 69.566 2.210 0.960 0.606 0.933 0.686 CB 1.518 106 residues pruned to eliminate duplicates Z: 6 5.819 1.677 0.804 0.267 1.000 0.600 CA 1.122 6 residues pruned to eliminate duplicates Z: 33 39.824 2.219 1.060 0.593 0.938 0.688 CB 1.503 33 residues pruned to eliminate duplicates Z: 17 21.959 2.199 1.053 0.500 0.875 0.750 CB 1.390 17 residues pruned to eliminate duplicates Z: 61 47.239 2.182 0.913 0.566 0.933 0.683 CB 1.469 61 residues pruned to eliminate duplicates Z: 49 42.192 2.235 0.879 0.485 0.896 0.562 CB 1.643 49 residues pruned to eliminate duplicates Z: 73 60.249 2.270 0.919 0.601 0.944 0.694 CB 1.567 73 residues pruned to eliminate duplicates Z: 6 10.189 2.172 0.840 0.414 1.000 0.600 CA 1.248 6 residues pruned to eliminate duplicates Z: 38 30.688 2.108 0.869 0.509 0.865 0.622 CB 1.467 38 residues pruned to eliminate duplicates Z: 31 35.996 2.241 0.924 0.561 0.900 0.700 CB 1.596 31 residues pruned to eliminate duplicates Z: 49 41.162 2.135 0.937 0.547 0.938 0.667 CB 1.463 49 residues pruned to eliminate duplicates Z: 65 41.044 2.099 0.866 0.529 0.938 0.641 CB 1.357 65 residues pruned to eliminate duplicates Z: 75 61.164 2.237 0.946 0.622 0.946 0.635 CB 1.539 75 residues pruned to eliminate duplicates Z: 40 36.810 2.151 1.011 0.547 0.897 0.667 CB 1.450 40 residues pruned to eliminate duplicates Z: 20 31.626 2.216 1.088 0.553 0.947 0.684 CB 1.573 20 residues pruned to eliminate duplicates Z: 32 36.156 2.210 0.981 0.517 0.968 0.581 CB 1.507 32 residues pruned to eliminate duplicates Z: 63 43.850 2.143 0.937 0.557 0.903 0.661 CB 1.405 63 residues pruned to eliminate duplicates Z: 53 35.083 2.143 0.788 0.476 0.904 0.615 CB 1.439 53 residues pruned to eliminate duplicates Z: 51 38.560 2.129 0.869 0.530 0.920 0.620 CB 1.447 51 residues pruned to eliminate duplicates Z: 19 32.360 2.252 1.014 0.578 0.944 0.722 CB 1.652 19 residues pruned to eliminate duplicates Z: 64 43.913 2.133 0.945 0.525 0.921 0.635 CB 1.413 64 residues pruned to eliminate duplicates Z: 26 29.470 2.101 0.931 0.548 0.920 0.760 CB 1.508 26 residues pruned to eliminate duplicates Z: 64 42.119 2.141 0.879 0.508 0.921 0.635 CB 1.422 64 residues pruned to eliminate duplicates Z: 51 38.004 2.118 0.843 0.522 0.920 0.680 CB 1.464 51 residues pruned to eliminate duplicates Z: 38 25.686 1.995 0.783 0.513 0.946 0.622 CB 1.239 38 residues pruned to eliminate duplicates Z: 32 24.874 2.037 0.851 0.493 0.903 0.613 CB 1.321 32 residues pruned to eliminate duplicates Z: 63 43.204 2.168 0.945 0.515 0.903 0.694 CB 1.419 63 residues pruned to eliminate duplicates Z: 64 39.287 2.089 0.859 0.516 0.905 0.667 CB 1.386 64 residues pruned to eliminate duplicates Z: 28 26.995 2.127 0.798 0.469 0.889 0.704 CB 1.577 28 residues pruned to eliminate duplicates Z: 33 25.505 2.024 0.774 0.525 0.969 0.656 CB 1.265 33 residues pruned to eliminate duplicates Z: 31 23.290 2.047 0.720 0.525 0.933 0.667 CB 1.262 31 residues pruned to eliminate duplicates Z: 31 29.990 2.083 0.914 0.550 0.967 0.700 CB 1.352 31 residues pruned to eliminate duplicates Z: 62 42.630 2.161 0.855 0.511 0.934 0.557 CB 1.442 62 residues pruned to eliminate duplicates Z: 33 24.213 2.004 0.737 0.542 0.906 0.750 CB 1.301 33 residues pruned to eliminate duplicates Z: 22 23.279 1.970 0.974 0.527 0.905 0.714 CB 1.406 22 residues pruned to eliminate duplicates Z: 49 40.949 2.159 0.877 0.551 0.938 0.667 CB 1.480 49 residues pruned to eliminate duplicates Z: 39 37.179 2.152 1.052 0.539 0.895 0.632 CB 1.469 39 residues pruned to eliminate duplicates Z: 52 40.012 2.113 0.908 0.536 0.922 0.686 CB 1.455 52 residues pruned to eliminate duplicates Z: 63 44.769 2.158 0.937 0.537 0.919 0.661 CB 1.426 63 residues pruned to eliminate duplicates Z: 30 27.130 2.088 0.826 0.563 0.931 0.655 CB 1.335 30 residues pruned to eliminate duplicates Z: 25 25.171 2.104 0.895 0.623 0.917 0.667 CB 1.252 25 residues pruned to eliminate duplicates Z: 38 21.164 1.990 0.726 0.459 0.811 0.649 CB 1.303 38 residues pruned to eliminate duplicates Z: 26 20.202 2.070 0.725 0.519 0.880 0.600 CB 1.262 26 residues pruned to eliminate duplicates Z: 34 27.058 2.039 0.855 0.536 0.939 0.727 CB 1.279 34 residues pruned to eliminate duplicates Z: 31 25.772 2.054 0.828 0.518 0.933 0.667 CB 1.319 31 residues pruned to eliminate duplicates Z: 27 21.873 2.024 0.865 0.503 0.885 0.538 CB 1.280 27 residues pruned to eliminate duplicates Z: 64 41.845 2.119 0.894 0.534 0.921 0.714 CB 1.380 64 residues pruned to eliminate duplicates Z: 33 25.731 1.984 0.957 0.512 0.906 0.625 CB 1.277 33 residues pruned to eliminate duplicates Z: 34 24.705 1.984 0.855 0.517 0.909 0.636 CB 1.264 33 residues pruned to eliminate duplicates Z: 17 10.838 1.606 0.206 0.822 1.000 0.625 CB 1.058 14 residues pruned to eliminate duplicates Z: 19 11.037 1.534 0.440 0.819 0.889 0.556 CB 1.004 19 residues pruned to eliminate duplicates Z: 51 29.281 1.849 0.690 0.651 0.960 0.620 CB 1.198 52 residues pruned to eliminate duplicates Z: 16 11.843 1.642 0.215 0.879 1.000 0.667 CB 1.111 16 residues pruned to eliminate duplicates Z: 16 12.757 1.630 0.614 0.858 0.800 0.600 CB 1.153 16 residues pruned to eliminate duplicates Z: 16 12.734 1.646 0.376 0.870 0.933 0.667 CB 1.135 16 residues pruned to eliminate duplicates Z: 16 15.755 1.665 0.578 0.871 1.000 0.600 CB 1.129 17 residues pruned to eliminate duplicates Z: 15 14.145 1.687 0.382 0.876 1.000 0.643 CB 1.179 15 residues pruned to eliminate duplicates Z: 16 14.488 1.649 0.484 0.852 1.000 0.800 CB 1.130 16 residues pruned to eliminate duplicates Z: 51 28.527 1.845 0.707 0.644 0.940 0.760 CB 1.191 51 residues pruned to eliminate duplicates Z: 16 13.549 1.661 0.441 0.883 0.933 0.733 CB 1.132 16 residues pruned to eliminate duplicates Z: 83 42.934 2.008 0.743 0.588 0.951 0.683 CB 1.309 83 residues pruned to eliminate duplicates Z: 45 25.261 1.831 0.626 0.646 0.955 0.705 CB 1.169 45 residues pruned to eliminate duplicates Z: 45 26.011 1.846 0.671 0.678 0.932 0.636 CB 1.158 45 residues pruned to eliminate duplicates Z: 19 14.796 1.564 0.545 0.853 1.000 0.667 CB 1.067 18 residues pruned to eliminate duplicates Z: 16 14.924 1.679 0.447 0.882 1.000 0.867 CB 1.148 16 residues pruned to eliminate duplicates Z: 83 42.215 1.988 0.828 0.569 0.927 0.695 CB 1.295 83 residues pruned to eliminate duplicates Z: 18 16.028 1.578 0.592 0.875 1.000 0.765 CB 1.125 18 residues pruned to eliminate duplicates Z: 15 16.072 1.703 0.559 0.875 1.000 0.643 CB 1.177 15 residues pruned to eliminate duplicates 445 residues left after pruning, divided into chains as follows: A: 302 B: 18 C: 125 CC for partial structure against native data = 46.63 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.557, Connect. = 0.791 for dens.mod. cycle 1 = 0.300, Contrast = 0.628, Connect. = 0.812 for dens.mod. cycle 2 = 0.301, Contrast = 0.755, Connect. = 0.832 for dens.mod. cycle 3 = 0.300, Contrast = 0.767, Connect. = 0.833 for dens.mod. cycle 4 = 0.301, Contrast = 0.783, Connect. = 0.834 for dens.mod. cycle 5 = 0.301, Contrast = 0.789, Connect. = 0.835 for dens.mod. cycle 6 = 0.301, Contrast = 0.797, Connect. = 0.836 for dens.mod. cycle 7 = 0.300, Contrast = 0.801, Connect. = 0.836 for dens.mod. cycle 8 = 0.301, Contrast = 0.805, Connect. = 0.837 for dens.mod. cycle 9 = 0.300, Contrast = 0.807, Connect. = 0.837 for dens.mod. cycle 10 TimeTaking 368.65