null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:38:36 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./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 = 0.290, Contrast = 0.199, Connect. = 0.635 for dens.mod. cycle 1 = 0.300, Contrast = 0.439, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.681, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 0.754, Connect. = 0.812 for dens.mod. cycle 4 = 0.300, Contrast = 0.782, Connect. = 0.821 for dens.mod. cycle 5 = 0.300, Contrast = 0.796, Connect. = 0.825 for dens.mod. cycle 6 = 0.300, Contrast = 0.804, Connect. = 0.828 for dens.mod. cycle 7 = 0.300, Contrast = 0.809, Connect. = 0.830 for dens.mod. cycle 8 = 0.300, Contrast = 0.812, Connect. = 0.832 for dens.mod. cycle 9 = 0.300, Contrast = 0.813, Connect. = 0.833 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2222 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 520 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 49.189 2.516 0.930 0.947 0.909 0.909 CB 1.643 B: 22 40.629 2.530 0.776 0.886 0.905 0.810 CB 1.573 22 residues pruned to eliminate duplicates C: 22 49.830 2.544 0.881 0.943 1.000 0.857 CB 1.575 22 residues pruned to eliminate duplicates D: 22 34.620 2.010 0.838 0.900 1.000 0.905 CB 1.460 E: 101 82.367 2.371 1.168 0.581 0.930 0.690 CB 1.593 23 residues pruned to eliminate duplicates F: 22 52.297 2.548 0.933 0.946 1.000 0.952 CB 1.602 22 residues pruned to eliminate duplicates G: 61 45.803 2.097 1.017 0.559 0.933 0.633 CB 1.415 H: 84 75.660 2.286 1.109 0.631 0.940 0.723 CB 1.620 55 residues pruned to eliminate duplicates I: 23 56.813 2.518 1.188 0.901 0.955 0.909 CB 1.643 23 residues pruned to eliminate duplicates J: 22 45.931 2.293 1.066 0.932 1.000 0.905 CB 1.477 K: 22 39.952 2.530 0.653 0.908 0.952 0.952 CB 1.554 22 residues pruned to eliminate duplicates L: 23 43.462 2.417 0.940 0.910 0.955 0.818 CB 1.469 23 residues pruned to eliminate duplicates M: 22 46.738 2.547 0.738 0.955 1.000 0.857 CB 1.584 22 residues pruned to eliminate duplicates N: 22 56.767 2.553 1.124 0.929 1.000 0.905 CB 1.599 22 residues pruned to eliminate duplicates O: 23 58.690 2.514 1.067 0.952 1.000 0.909 CB 1.658 23 residues pruned to eliminate duplicates P: 21 41.370 2.332 0.744 0.959 1.000 0.900 CB 1.559 21 residues pruned to eliminate duplicates Q: 22 39.056 2.284 0.760 0.935 1.000 0.905 CB 1.477 22 residues pruned to eliminate duplicates R: 22 48.269 2.546 0.805 0.950 1.000 0.952 CB 1.581 22 residues pruned to eliminate duplicates S: 67 64.062 2.413 0.981 0.594 0.924 0.742 CB 1.631 67 residues pruned to eliminate duplicates T: 21 34.415 2.106 0.739 0.910 0.950 0.850 CB 1.568 21 residues pruned to eliminate duplicates U: 21 43.281 2.418 0.697 0.949 1.000 1.000 CB 1.627 V: 84 71.968 2.287 1.056 0.621 0.940 0.771 CB 1.594 84 residues pruned to eliminate duplicates W: 22 47.925 2.523 0.809 0.951 1.000 1.000 CB 1.579 22 residues pruned to eliminate duplicates X: 22 50.789 2.407 1.213 0.938 0.952 0.905 CB 1.519 21 residues pruned to eliminate duplicates Y: 68 68.529 2.400 1.056 0.591 0.940 0.672 CB 1.654 68 residues pruned to eliminate duplicates Z: 85 75.131 2.397 1.137 0.597 0.929 0.738 CB 1.571 85 residues pruned to eliminate duplicates Z: 22 43.458 2.304 0.950 0.941 1.000 0.952 CB 1.464 22 residues pruned to eliminate duplicates Z: 21 55.594 2.446 1.208 0.949 1.000 1.000 CB 1.588 22 residues pruned to eliminate duplicates Z: 66 63.102 2.296 1.235 0.546 0.923 0.662 CB 1.579 Z: 22 36.895 2.282 0.705 0.944 1.000 1.000 CB 1.433 22 residues pruned to eliminate duplicates Z: 24 47.766 2.412 0.771 0.928 1.000 0.913 CB 1.633 24 residues pruned to eliminate duplicates Z: 22 60.608 2.544 1.226 0.946 1.000 0.762 CB 1.615 22 residues pruned to eliminate duplicates Z: 22 60.847 2.550 1.232 0.946 1.000 0.619 CB 1.613 22 residues pruned to eliminate duplicates Z: 22 46.049 2.287 1.046 0.942 1.000 0.952 CB 1.488 22 residues pruned to eliminate duplicates Z: 22 39.662 2.295 0.812 0.934 1.000 0.952 CB 1.451 22 residues pruned to eliminate duplicates Z: 21 65.417 2.621 1.337 0.956 1.000 0.750 CB 1.639 21 residues pruned to eliminate duplicates Z: 21 51.192 2.410 1.176 0.955 1.000 0.900 CB 1.500 21 residues pruned to eliminate duplicates Z: 40 41.224 2.168 1.213 0.580 0.872 0.744 CB 1.461 40 residues pruned to eliminate duplicates Z: 35 49.827 2.254 1.322 0.581 0.941 0.676 CB 1.604 35 residues pruned to eliminate duplicates Z: 21 59.762 2.431 1.419 0.953 1.000 0.850 CB 1.564 21 residues pruned to eliminate duplicates Z: 28 37.973 2.115 0.879 0.702 1.000 0.778 CB 1.530 Z: 20 45.655 2.326 0.824 0.932 1.000 0.947 CB 1.723 20 residues pruned to eliminate duplicates Z: 21 52.640 2.407 1.271 0.937 1.000 0.800 CB 1.499 21 residues pruned to eliminate duplicates Z: 23 22.757 1.921 0.798 0.514 0.955 0.636 CB 1.451 23 residues pruned to eliminate duplicates Z: 21 58.656 2.414 1.423 0.937 1.000 0.800 CB 1.561 21 residues pruned to eliminate duplicates Z: 59 50.763 2.251 1.147 0.510 0.897 0.655 CB 1.523 59 residues pruned to eliminate duplicates Z: 21 44.800 2.417 0.891 0.918 1.000 0.950 CB 1.546 21 residues pruned to eliminate duplicates Z: 84 72.626 2.288 1.094 0.609 0.928 0.759 CB 1.617 84 residues pruned to eliminate duplicates Z: 28 32.623 2.118 0.755 0.635 0.963 0.778 CB 1.546 29 residues pruned to eliminate duplicates Z: 83 71.347 2.294 1.045 0.622 0.927 0.756 CB 1.614 83 residues pruned to eliminate duplicates Z: 22 36.336 2.501 0.501 0.922 0.952 0.905 CB 1.559 22 residues pruned to eliminate duplicates Z: 22 48.035 2.289 1.174 0.925 1.000 0.905 CB 1.478 22 residues pruned to eliminate duplicates Z: 21 26.815 2.218 0.894 0.504 0.900 0.650 CB 1.578 21 residues pruned to eliminate duplicates Z: 22 60.310 2.554 1.238 0.953 1.000 0.762 CB 1.584 22 residues pruned to eliminate duplicates Z: 28 27.759 2.066 0.917 0.480 0.926 0.444 CB 1.487 Z: 86 65.007 2.260 1.127 0.591 0.941 0.659 CB 1.428 81 residues pruned to eliminate duplicates Z: 65 41.815 2.051 0.932 0.545 0.922 0.641 CB 1.369 65 residues pruned to eliminate duplicates Z: 121 79.703 2.230 1.163 0.564 0.933 0.700 CB 1.519 122 residues pruned to eliminate duplicates Z: 22 56.143 2.556 1.242 0.937 0.952 0.857 CB 1.562 22 residues pruned to eliminate duplicates Z: 21 44.513 2.401 0.840 0.942 1.000 0.850 CB 1.562 21 residues pruned to eliminate duplicates Z: 18 22.491 2.205 1.130 0.471 0.824 0.588 CB 1.453 18 residues pruned to eliminate duplicates Z: 21 55.290 2.438 1.258 0.941 1.000 1.000 CB 1.558 21 residues pruned to eliminate duplicates Z: 50 38.731 2.048 0.966 0.533 0.959 0.633 CB 1.387 50 residues pruned to eliminate duplicates Z: 24 36.709 2.195 1.024 0.556 1.000 0.609 CB 1.631 24 residues pruned to eliminate duplicates Z: 22 36.237 2.248 0.676 0.936 1.000 0.905 CB 1.461 22 residues pruned to eliminate duplicates Z: 79 49.324 2.099 0.919 0.528 0.949 0.641 CB 1.422 61 residues pruned to eliminate duplicates Z: 46 50.572 2.180 0.890 0.671 0.933 0.800 CB 1.674 46 residues pruned to eliminate duplicates Z: 18 19.784 2.140 1.080 0.462 0.882 0.588 CB 1.270 18 residues pruned to eliminate duplicates Z: 48 39.208 2.075 1.014 0.546 0.915 0.702 CB 1.430 48 residues pruned to eliminate duplicates Z: 22 52.067 2.296 1.322 0.943 1.000 0.857 CB 1.476 22 residues pruned to eliminate duplicates Z: 25 28.659 2.049 0.930 0.588 0.917 0.667 CB 1.483 25 residues pruned to eliminate duplicates Z: 29 31.177 2.005 0.861 0.621 0.929 0.714 CB 1.517 28 residues pruned to eliminate duplicates Z: 85 71.808 2.281 1.120 0.606 0.917 0.750 CB 1.598 85 residues pruned to eliminate duplicates Z: 32 52.567 2.341 1.455 0.625 0.935 0.677 CB 1.561 32 residues pruned to eliminate duplicates Z: 22 16.398 1.856 0.939 0.436 0.857 0.571 CB 1.240 22 residues pruned to eliminate duplicates Z: 23 33.649 1.972 0.864 0.882 1.000 0.773 CB 1.411 23 residues pruned to eliminate duplicates Z: 23 29.598 1.932 0.773 0.883 0.955 0.636 CB 1.395 23 residues pruned to eliminate duplicates Z: 43 37.615 2.182 1.063 0.505 0.905 0.667 CB 1.418 43 residues pruned to eliminate duplicates Z: 21 37.924 2.118 0.815 0.907 1.000 0.900 CB 1.568 21 residues pruned to eliminate duplicates Z: 50 57.792 2.400 1.197 0.512 0.959 0.612 CB 1.613 50 residues pruned to eliminate duplicates Z: 33 39.166 2.197 1.080 0.571 0.906 0.719 CB 1.562 33 residues pruned to eliminate duplicates Z: 22 50.150 2.289 1.276 0.934 1.000 0.857 CB 1.465 22 residues pruned to eliminate duplicates Z: 20 42.911 2.445 0.558 0.948 1.000 1.000 CB 1.784 20 residues pruned to eliminate duplicates Z: 24 32.629 2.199 0.829 0.564 1.000 0.565 CB 1.591 24 residues pruned to eliminate duplicates Z: 152 103.294 2.352 1.133 0.606 0.934 0.695 CB 1.623 152 residues pruned to eliminate duplicates Z: 15 14.495 2.034 0.854 0.468 0.786 0.429 CB 1.351 15 residues pruned to eliminate duplicates Z: 99 89.606 2.413 1.207 0.598 0.929 0.714 CB 1.667 100 residues pruned to eliminate duplicates Z: 68 67.928 2.391 0.972 0.597 0.970 0.701 CB 1.653 68 residues pruned to eliminate duplicates Z: 83 74.602 2.284 1.120 0.622 0.939 0.732 CB 1.615 83 residues pruned to eliminate duplicates Z: 21 27.610 2.065 1.022 0.525 0.950 0.700 CB 1.518 21 residues pruned to eliminate duplicates Z: 21 43.864 2.419 0.862 0.924 1.000 0.950 CB 1.529 21 residues pruned to eliminate duplicates Z: 15 22.710 1.967 0.916 0.624 0.929 0.714 CA 1.543 15 residues pruned to eliminate duplicates Z: 21 51.621 2.415 1.260 0.943 0.950 0.900 CB 1.542 21 residues pruned to eliminate duplicates Z: 47 53.591 2.279 1.220 0.561 0.913 0.696 CB 1.612 47 residues pruned to eliminate duplicates Z: 12 35.690 2.233 1.368 0.865 0.909 0.727 CB 1.640 12 residues pruned to eliminate duplicates Z: 35 37.432 2.228 0.943 0.525 0.912 0.647 CB 1.587 35 residues pruned to eliminate duplicates Z: 42 34.955 2.081 1.132 0.542 0.902 0.732 CB 1.308 42 residues pruned to eliminate duplicates Z: 17 29.579 2.176 1.179 0.559 0.875 0.812 CB 1.683 16 residues pruned to eliminate duplicates Z: 47 43.012 2.158 0.735 0.670 0.913 0.826 CB 1.585 47 residues pruned to eliminate duplicates Z: 63 47.341 2.114 1.042 0.586 0.871 0.677 CB 1.473 63 residues pruned to eliminate duplicates Z: 22 48.039 2.302 1.065 0.961 1.000 0.905 CB 1.509 22 residues pruned to eliminate duplicates Z: 23 33.108 1.978 0.713 0.915 1.000 0.864 CB 1.472 23 residues pruned to eliminate duplicates Z: 24 29.707 1.940 0.673 0.920 1.000 0.783 CB 1.344 24 residues pruned to eliminate duplicates Z: 61 55.174 2.275 1.150 0.583 0.917 0.617 CB 1.467 61 residues pruned to eliminate duplicates Z: 16 16.978 2.092 1.048 0.506 0.867 0.667 CB 1.173 16 residues pruned to eliminate duplicates Z: 22 46.788 2.301 1.100 0.944 1.000 0.905 CB 1.464 22 residues pruned to eliminate duplicates Z: 107 74.834 2.284 0.966 0.605 0.925 0.689 CB 1.584 107 residues pruned to eliminate duplicates Z: 22 63.323 2.520 1.529 0.949 0.952 0.667 CB 1.572 22 residues pruned to eliminate duplicates Z: 9 15.760 1.623 0.986 0.830 1.000 0.625 CA 1.300 9 residues pruned to eliminate duplicates Z: 7 9.852 2.092 0.379 0.726 0.833 0.667 CA 1.365 7 residues pruned to eliminate duplicates Z: 48 40.406 2.072 0.989 0.592 0.936 0.745 CB 1.399 48 residues pruned to eliminate duplicates Z: 50 36.671 2.041 0.980 0.534 0.918 0.673 CB 1.365 50 residues pruned to eliminate duplicates Z: 83 74.524 2.311 1.111 0.615 0.927 0.707 CB 1.632 83 residues pruned to eliminate duplicates Z: 50 36.587 2.058 0.910 0.569 0.898 0.735 CB 1.386 50 residues pruned to eliminate duplicates Z: 69 65.427 2.380 1.051 0.604 0.926 0.691 CB 1.589 69 residues pruned to eliminate duplicates Z: 15 27.792 2.056 0.835 0.897 1.000 0.786 CB 1.409 15 residues pruned to eliminate duplicates Z: 129 83.915 2.269 1.053 0.559 0.945 0.617 CB 1.591 129 residues pruned to eliminate duplicates Z: 28 29.181 2.071 0.704 0.641 0.926 0.741 CB 1.507 28 residues pruned to eliminate duplicates Z: 40 44.735 2.275 1.119 0.550 0.923 0.744 CB 1.534 40 residues pruned to eliminate duplicates Z: 17 18.913 2.211 1.050 0.395 0.750 0.562 CB 1.554 17 residues pruned to eliminate duplicates Z: 33 26.762 2.105 0.920 0.447 0.906 0.625 CB 1.364 33 residues pruned to eliminate duplicates Z: 42 47.450 2.348 1.159 0.511 0.927 0.756 CB 1.560 42 residues pruned to eliminate duplicates Z: 64 42.329 2.072 0.983 0.539 0.905 0.714 CB 1.380 64 residues pruned to eliminate duplicates Z: 84 69.910 2.275 1.085 0.576 0.940 0.699 CB 1.599 84 residues pruned to eliminate duplicates Z: 153 101.528 2.328 1.133 0.610 0.921 0.717 CB 1.622 153 residues pruned to eliminate duplicates Z: 16 25.955 1.996 0.610 0.872 1.000 0.800 CB 1.520 17 residues pruned to eliminate duplicates Z: 25 35.682 2.309 1.029 0.474 0.958 0.625 CB 1.665 25 residues pruned to eliminate duplicates Z: 22 43.130 2.502 0.899 0.885 0.952 0.762 CB 1.502 22 residues pruned to eliminate duplicates Z: 177 102.861 2.302 1.073 0.596 0.926 0.722 CB 1.600 177 residues pruned to eliminate duplicates Z: 22 51.971 2.506 1.105 0.933 1.000 0.619 CB 1.500 22 residues pruned to eliminate duplicates Z: 22 36.700 2.268 0.941 0.599 1.000 0.619 CB 1.656 22 residues pruned to eliminate duplicates Z: 15 29.363 2.078 0.881 0.841 1.000 0.786 CB 1.497 16 residues pruned to eliminate duplicates Z: 129 101.063 2.342 1.171 0.638 0.961 0.758 CB 1.607 129 residues pruned to eliminate duplicates Z: 21 33.961 2.103 0.637 0.918 1.000 0.900 CB 1.555 21 residues pruned to eliminate duplicates Z: 152 98.503 2.337 1.102 0.595 0.927 0.689 CB 1.608 152 residues pruned to eliminate duplicates Z: 23 38.961 2.281 1.084 0.574 1.000 0.682 CB 1.627 23 residues pruned to eliminate duplicates Z: 58 61.853 2.417 1.046 0.621 0.912 0.702 CB 1.620 58 residues pruned to eliminate duplicates Z: 55 51.725 2.188 1.032 0.671 0.944 0.778 CB 1.432 54 residues pruned to eliminate duplicates Z: 24 31.740 2.183 1.035 0.557 0.870 0.652 CB 1.621 24 residues pruned to eliminate duplicates Z: 40 30.399 2.006 0.931 0.578 0.872 0.718 CB 1.338 40 residues pruned to eliminate duplicates Z: 18 23.875 2.074 0.980 0.483 0.882 0.765 CB 1.626 18 residues pruned to eliminate duplicates Z: 100 83.295 2.397 1.073 0.589 0.939 0.697 CB 1.647 100 residues pruned to eliminate duplicates Z: 86 71.803 2.235 1.103 0.633 0.941 0.718 CB 1.553 86 residues pruned to eliminate duplicates Z: 16 26.539 1.999 0.772 0.855 0.933 0.867 CA 1.530 16 residues pruned to eliminate duplicates Z: 128 96.461 2.344 1.132 0.624 0.945 0.724 CB 1.613 128 residues pruned to eliminate duplicates Z: 14 26.985 2.181 0.618 0.892 1.000 0.923 CB 1.524 14 residues pruned to eliminate duplicates Z: 17 19.679 2.122 1.054 0.431 0.875 0.500 CB 1.386 17 residues pruned to eliminate duplicates Z: 36 35.305 2.190 1.028 0.471 0.914 0.571 CB 1.514 36 residues pruned to eliminate duplicates Z: 23 27.948 2.217 0.865 0.526 0.864 0.591 CB 1.626 22 residues pruned to eliminate duplicates Z: 22 51.390 2.296 1.286 0.933 1.000 0.905 CB 1.491 22 residues pruned to eliminate duplicates Z: 45 45.840 2.127 0.889 0.606 1.000 0.727 CB 1.555 43 residues pruned to eliminate duplicates Z: 40 38.298 2.114 1.100 0.560 0.923 0.718 CB 1.412 40 residues pruned to eliminate duplicates Z: 16 27.880 2.015 0.663 0.893 1.000 0.800 CB 1.542 16 residues pruned to eliminate duplicates Z: 31 40.745 2.178 1.292 0.634 0.933 0.767 CB 1.408 31 residues pruned to eliminate duplicates Z: 152 104.860 2.356 1.075 0.628 0.940 0.728 CB 1.645 152 residues pruned to eliminate duplicates Z: 108 58.986 2.091 0.967 0.583 0.925 0.673 CB 1.383 104 residues pruned to eliminate duplicates Z: 71 72.061 2.264 1.141 0.638 0.929 0.743 CB 1.680 71 residues pruned to eliminate duplicates Z: 62 42.895 2.188 0.954 0.454 0.934 0.574 CB 1.440 62 residues pruned to eliminate duplicates Z: 58 52.902 2.281 1.194 0.512 0.930 0.754 CB 1.488 58 residues pruned to eliminate duplicates Z: 22 24.925 1.949 0.873 0.607 1.000 0.714 CB 1.345 22 residues pruned to eliminate duplicates Z: 54 61.949 2.385 0.999 0.642 0.962 0.717 CB 1.625 54 residues pruned to eliminate duplicates Z: 15 27.662 2.080 0.749 0.845 1.000 0.786 CB 1.511 15 residues pruned to eliminate duplicates Z: 8 16.335 1.786 1.284 0.787 0.857 0.714 CA 1.372 8 residues pruned to eliminate duplicates Z: 25 31.501 2.193 0.815 0.526 1.000 0.625 CB 1.574 25 residues pruned to eliminate duplicates Z: 6 7.888 1.864 0.032 0.816 1.000 0.800 CB 1.394 6 residues pruned to eliminate duplicates Z: 6 6.194 1.895 -0.113 0.784 1.000 0.800 CB 1.284 6 residues pruned to eliminate duplicates Z: 24 21.152 1.933 0.847 0.524 0.913 0.565 CB 1.321 24 residues pruned to eliminate duplicates Z: 102 79.822 2.405 1.049 0.574 0.921 0.673 CB 1.630 102 residues pruned to eliminate duplicates Z: 22 50.759 2.284 1.296 0.938 1.000 0.810 CB 1.469 22 residues pruned to eliminate duplicates Z: 17 27.612 1.917 0.854 0.872 1.000 0.750 CB 1.416 15 residues pruned to eliminate duplicates Z: 23 30.740 2.185 1.005 0.527 0.909 0.636 CB 1.602 23 residues pruned to eliminate duplicates Z: 63 42.232 2.086 1.024 0.510 0.919 0.597 CB 1.369 63 residues pruned to eliminate duplicates Z: 51 34.939 2.083 0.798 0.515 0.920 0.580 CB 1.414 51 residues pruned to eliminate duplicates Z: 13 9.853 1.856 0.404 0.603 0.833 0.667 CB 1.187 12 residues pruned to eliminate duplicates Z: 25 30.374 2.143 1.036 0.534 0.875 0.583 CB 1.570 25 residues pruned to eliminate duplicates Z: 13 27.644 2.166 1.307 0.816 0.917 0.667 CB 1.325 13 residues pruned to eliminate duplicates Z: 152 98.964 2.341 1.121 0.608 0.907 0.689 CB 1.613 152 residues pruned to eliminate duplicates Z: 128 80.477 2.247 1.014 0.559 0.929 0.661 CB 1.604 128 residues pruned to eliminate duplicates Z: 18 19.666 1.882 0.678 0.614 0.941 0.647 CB 1.440 Z: 63 46.321 2.096 1.054 0.566 0.919 0.774 CB 1.395 64 residues pruned to eliminate duplicates Z: 16 22.674 1.976 0.614 0.882 1.000 0.867 CB 1.328 16 residues pruned to eliminate duplicates Z: 36 28.356 2.136 0.969 0.411 0.886 0.600 CB 1.412 36 residues pruned to eliminate duplicates Z: 8 3.381 1.675 0.353 0.442 0.714 0.571 CB 0.839 Z: 22 43.761 2.271 1.051 0.943 1.000 0.952 CB 1.420 22 residues pruned to eliminate duplicates Z: 110 88.162 2.394 1.081 0.581 0.945 0.716 CB 1.660 110 residues pruned to eliminate duplicates Z: 23 25.882 2.049 0.912 0.604 0.955 0.773 CB 1.337 23 residues pruned to eliminate duplicates Z: 22 33.124 2.062 0.629 0.886 1.000 0.810 CB 1.552 22 residues pruned to eliminate duplicates Z: 20 64.652 2.468 1.493 0.963 1.000 0.947 CB 1.648 20 residues pruned to eliminate duplicates Z: 46 44.625 2.168 1.159 0.537 0.911 0.644 CB 1.505 46 residues pruned to eliminate duplicates Z: 21 32.381 2.078 0.569 0.914 1.000 0.850 CB 1.570 21 residues pruned to eliminate duplicates Z: 87 69.044 2.231 1.064 0.604 0.953 0.744 CB 1.536 87 residues pruned to eliminate duplicates Z: 22 50.901 2.289 1.321 0.929 1.000 0.810 CB 1.462 22 residues pruned to eliminate duplicates Z: 9 9.824 1.708 0.489 0.859 0.875 0.625 CB 1.148 9 residues pruned to eliminate duplicates Z: 152 104.444 2.347 1.120 0.613 0.940 0.702 CB 1.632 152 residues pruned to eliminate duplicates Z: 100 85.433 2.392 1.129 0.594 0.939 0.657 CB 1.641 100 residues pruned to eliminate duplicates Z: 109 70.924 2.244 1.103 0.549 0.944 0.583 CB 1.459 109 residues pruned to eliminate duplicates Z: 21 54.326 2.401 1.306 0.948 1.000 0.950 CB 1.516 21 residues pruned to eliminate duplicates Z: 40 38.560 2.084 0.888 0.626 0.974 0.744 CB 1.431 40 residues pruned to eliminate duplicates Z: 56 61.565 2.428 1.014 0.647 0.909 0.745 CB 1.628 56 residues pruned to eliminate duplicates Z: 54 34.968 2.033 0.856 0.500 0.887 0.679 CB 1.436 72 residues pruned to eliminate duplicates Z: 22 32.408 2.044 0.609 0.897 1.000 0.952 CB 1.541 22 residues pruned to eliminate duplicates Z: 113 73.167 2.229 1.094 0.566 0.946 0.732 CB 1.468 113 residues pruned to eliminate duplicates Z: 151 97.070 2.339 1.027 0.616 0.920 0.713 CB 1.629 151 residues pruned to eliminate duplicates Z: 12 15.176 1.646 0.692 0.678 1.000 0.636 CA 1.395 Z: 7 4.823 1.725 -0.067 0.839 1.000 0.833 CB 0.914 7 residues pruned to eliminate duplicates Z: 24 32.723 2.184 1.095 0.578 0.870 0.522 CB 1.591 24 residues pruned to eliminate duplicates Z: 18 16.494 1.786 0.643 0.492 0.941 0.588 CB 1.461 12 residues pruned to eliminate duplicates Z: 14 30.561 2.099 1.256 0.927 0.923 0.846 CB 1.359 14 residues pruned to eliminate duplicates Z: 23 27.647 2.217 0.830 0.526 0.909 0.545 CB 1.557 23 residues pruned to eliminate duplicates Z: 27 37.192 2.125 0.725 0.744 1.000 0.808 CB 1.599 27 residues pruned to eliminate duplicates Z: 30 44.817 2.232 0.995 0.743 1.000 0.862 CB 1.504 31 residues pruned to eliminate duplicates Z: 10 8.061 1.886 1.252 0.675 1.000 0.778 CB 0.538 Z: 51 44.839 2.256 1.068 0.506 0.900 0.640 CB 1.502 51 residues pruned to eliminate duplicates Z: 13 22.248 2.030 0.960 0.645 0.917 0.833 CB 1.538 13 residues pruned to eliminate duplicates Z: 22 36.221 2.020 0.945 0.918 1.000 0.810 CB 1.418 22 residues pruned to eliminate duplicates Z: 22 33.830 2.070 0.727 0.922 1.000 0.952 CB 1.453 22 residues pruned to eliminate duplicates Z: 19 21.315 2.102 0.924 0.396 0.833 0.556 CB 1.664 19 residues pruned to eliminate duplicates Z: 13 24.554 1.983 0.894 0.885 0.917 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 112 73.004 2.266 1.050 0.565 0.928 0.685 CB 1.510 112 residues pruned to eliminate duplicates Z: 94 71.088 2.274 1.113 0.596 0.914 0.731 CB 1.531 94 residues pruned to eliminate duplicates Z: 40 32.536 2.072 0.993 0.499 0.897 0.769 CB 1.408 40 residues pruned to eliminate duplicates Z: 152 100.043 2.338 1.050 0.610 0.940 0.669 CB 1.628 152 residues pruned to eliminate duplicates Z: 106 64.191 2.136 1.028 0.581 0.933 0.657 CB 1.434 106 residues pruned to eliminate duplicates Z: 22 36.799 2.247 1.044 0.553 0.952 0.524 CB 1.743 22 residues pruned to eliminate duplicates Z: 78 65.263 2.286 1.181 0.599 0.909 0.740 CB 1.493 78 residues pruned to eliminate duplicates Z: 16 15.217 1.612 0.512 0.916 1.000 0.667 CB 1.138 Z: 110 85.259 2.370 1.210 0.572 0.927 0.651 CB 1.570 110 residues pruned to eliminate duplicates Z: 122 81.580 2.229 1.111 0.607 0.950 0.736 CB 1.498 123 residues pruned to eliminate duplicates Z: 31 27.070 1.979 0.811 0.546 0.933 0.667 CB 1.411 30 residues pruned to eliminate duplicates Z: 42 44.718 2.213 0.927 0.643 0.951 0.634 CB 1.505 42 residues pruned to eliminate duplicates Z: 11 16.059 1.950 0.490 0.771 1.000 0.700 CB 1.376 12 residues pruned to eliminate duplicates Z: 18 17.909 1.853 0.577 0.584 0.941 0.647 CB 1.458 18 residues pruned to eliminate duplicates Z: 23 31.549 2.192 1.076 0.560 0.909 0.591 CB 1.534 23 residues pruned to eliminate duplicates Z: 12 28.044 2.075 0.957 0.871 1.000 0.818 CA 1.519 12 residues pruned to eliminate duplicates Z: 33 32.036 2.109 0.930 0.592 0.938 0.719 CB 1.359 33 residues pruned to eliminate duplicates Z: 26 27.429 2.120 0.730 0.550 0.960 0.520 CB 1.484 26 residues pruned to eliminate duplicates Z: 16 15.443 1.589 0.582 0.918 1.000 0.800 CB 1.118 16 residues pruned to eliminate duplicates Z: 16 14.446 1.605 0.575 0.878 1.000 0.667 CB 1.071 16 residues pruned to eliminate duplicates Z: 64 45.450 2.177 1.036 0.500 0.841 0.635 CB 1.535 64 residues pruned to eliminate duplicates Z: 86 66.270 2.272 1.079 0.579 0.953 0.624 CB 1.480 86 residues pruned to eliminate duplicates Z: 48 39.341 2.142 0.918 0.507 0.936 0.596 CB 1.482 48 residues pruned to eliminate duplicates Z: 67 65.223 2.391 0.978 0.594 0.970 0.712 CB 1.600 67 residues pruned to eliminate duplicates Z: 65 63.078 2.376 1.015 0.606 0.938 0.703 CB 1.589 65 residues pruned to eliminate duplicates Z: 20 31.205 2.235 1.035 0.535 0.895 0.579 CB 1.700 20 residues pruned to eliminate duplicates Z: 8 7.749 1.716 0.292 0.651 0.857 0.286 CB 1.340 8 residues pruned to eliminate duplicates Z: 8 18.988 1.854 1.026 0.814 1.000 0.571 CA 1.454 8 residues pruned to eliminate duplicates Z: 16 25.762 1.983 0.821 0.874 0.933 0.800 CB 1.436 15 residues pruned to eliminate duplicates Z: 7 13.149 1.949 0.824 0.701 0.833 0.500 CA 1.508 7 residues pruned to eliminate duplicates Z: 41 39.257 2.187 0.970 0.585 0.900 0.725 CB 1.475 41 residues pruned to eliminate duplicates Z: 11 10.533 1.426 0.786 0.925 1.000 0.800 CB 0.918 10 residues pruned to eliminate duplicates Z: 81 42.809 2.081 0.840 0.506 0.913 0.613 CB 1.362 81 residues pruned to eliminate duplicates Z: 14 16.193 1.845 0.948 0.505 0.846 0.615 CA 1.470 14 residues pruned to eliminate duplicates Z: 73 63.233 2.236 1.020 0.614 0.931 0.694 CB 1.591 73 residues pruned to eliminate duplicates Z: 64 71.362 2.428 1.152 0.631 0.921 0.698 CB 1.652 64 residues pruned to eliminate duplicates Z: 69 70.976 2.401 1.189 0.604 0.912 0.706 CB 1.626 69 residues pruned to eliminate duplicates Z: 57 49.677 2.235 1.069 0.595 0.893 0.661 CB 1.468 57 residues pruned to eliminate duplicates Z: 43 51.929 2.299 1.299 0.552 0.952 0.738 CB 1.514 43 residues pruned to eliminate duplicates Z: 12 15.506 2.075 0.729 0.569 0.818 0.727 CB 1.489 12 residues pruned to eliminate duplicates Z: 6 6.892 1.712 0.085 0.707 1.000 0.800 CA 1.375 6 residues pruned to eliminate duplicates Z: 13 15.915 2.005 0.556 0.626 0.917 0.667 CB 1.426 13 residues pruned to eliminate duplicates Z: 67 63.979 2.392 0.954 0.578 0.939 0.682 CB 1.663 67 residues pruned to eliminate duplicates Z: 16 16.456 2.127 0.988 0.421 0.800 0.400 CB 1.363 16 residues pruned to eliminate duplicates Z: 19 34.710 2.227 1.035 0.637 0.944 0.722 CB 1.681 19 residues pruned to eliminate duplicates Z: 6 9.255 1.968 0.564 0.656 1.000 0.800 CB 1.163 Z: 19 22.554 2.069 0.787 0.428 1.000 0.611 CB 1.549 19 residues pruned to eliminate duplicates Z: 11 8.709 1.839 0.089 0.621 0.900 0.700 CB 1.364 11 residues pruned to eliminate duplicates Z: 12 38.164 2.237 1.158 0.915 1.000 0.909 CB 1.685 12 residues pruned to eliminate duplicates Z: 25 42.282 2.229 0.922 0.734 1.000 0.875 CB 1.632 27 residues pruned to eliminate duplicates Z: 84 80.853 2.378 1.183 0.572 0.928 0.675 CB 1.719 84 residues pruned to eliminate duplicates Z: 17 25.306 1.905 0.674 0.880 1.000 0.812 CB 1.437 17 residues pruned to eliminate duplicates Z: 12 9.278 1.794 0.333 0.538 0.909 0.545 CB 1.240 12 residues pruned to eliminate duplicates Z: 6 2.398 1.662 -0.413 0.681 0.800 0.800 CB 1.163 Z: 95 70.335 2.275 1.038 0.602 0.926 0.734 CB 1.534 95 residues pruned to eliminate duplicates Z: 100 69.762 2.219 1.164 0.578 0.909 0.727 CB 1.489 100 residues pruned to eliminate duplicates Z: 21 35.692 2.101 0.874 0.909 0.950 0.900 CB 1.515 21 residues pruned to eliminate duplicates Z: 29 36.230 2.136 1.008 0.667 0.964 0.679 CB 1.418 29 residues pruned to eliminate duplicates Z: 6 11.928 1.690 1.090 0.794 1.000 0.800 C 1.168 6 residues pruned to eliminate duplicates Z: 47 50.912 2.177 0.855 0.715 0.957 0.848 CB 1.600 47 residues pruned to eliminate duplicates Z: 68 71.976 2.388 1.045 0.610 0.955 0.657 CB 1.698 68 residues pruned to eliminate duplicates Z: 7 4.379 1.867 0.255 0.284 0.833 0.500 CB 1.168 7 residues pruned to eliminate duplicates Z: 63 40.094 2.072 0.943 0.531 0.887 0.677 CB 1.382 63 residues pruned to eliminate duplicates Z: 64 68.673 2.393 1.056 0.618 0.921 0.762 CB 1.709 64 residues pruned to eliminate duplicates Z: 8 5.528 1.232 1.113 0.758 0.857 0.714 N 0.744 8 residues pruned to eliminate duplicates Z: 85 68.271 2.269 1.150 0.592 0.929 0.714 CB 1.505 85 residues pruned to eliminate duplicates Z: 18 20.771 1.883 0.718 0.605 1.000 0.647 CB 1.409 17 residues pruned to eliminate duplicates Z: 66 73.027 2.434 1.121 0.614 0.969 0.754 CB 1.625 67 residues pruned to eliminate duplicates Z: 17 14.015 1.550 0.483 0.910 1.000 1.000 CB 1.081 17 residues pruned to eliminate duplicates Z: 15 27.265 2.078 0.655 0.872 1.000 0.857 CB 1.544 15 residues pruned to eliminate duplicates Z: 11 16.076 2.305 0.984 0.634 1.000 1.000 CB 0.981 11 residues pruned to eliminate duplicates Z: 17 14.798 1.565 0.584 0.864 1.000 0.750 CB 1.094 17 residues pruned to eliminate duplicates Z: 18 27.959 1.942 0.875 0.830 0.941 0.647 CB 1.488 16 residues pruned to eliminate duplicates Z: 37 26.832 2.065 0.900 0.484 0.917 0.667 CB 1.263 37 residues pruned to eliminate duplicates Z: 7 6.440 1.537 0.421 0.822 1.000 0.667 CA 0.911 7 residues pruned to eliminate duplicates Z: 7 5.254 1.729 -0.180 0.742 1.000 0.833 CB 1.218 Z: 16 25.110 1.983 0.644 0.856 1.000 0.800 CB 1.467 16 residues pruned to eliminate duplicates Z: 69 76.259 2.269 1.154 0.696 0.956 0.853 CB 1.656 69 residues pruned to eliminate duplicates Z: 24 32.079 2.208 0.820 0.595 0.957 0.696 CB 1.589 24 residues pruned to eliminate duplicates Z: 7 4.534 1.694 0.166 0.483 0.667 0.500 N 1.431 Z: 53 23.796 1.862 0.707 0.465 0.885 0.596 CB 1.217 53 residues pruned to eliminate duplicates Z: 10 10.336 1.837 0.465 0.626 0.889 0.778 CB 1.279 10 residues pruned to eliminate duplicates Z: 25 28.891 2.061 1.078 0.539 0.958 0.583 CB 1.383 25 residues pruned to eliminate duplicates Z: 34 39.693 2.310 1.070 0.461 0.970 0.545 CB 1.550 34 residues pruned to eliminate duplicates Z: 38 55.072 2.369 1.496 0.591 0.919 0.757 CB 1.527 38 residues pruned to eliminate duplicates Z: 11 4.328 1.669 0.136 0.293 0.700 0.400 CB 1.300 Z: 20 18.004 1.768 0.807 0.592 0.895 0.526 CB 1.324 20 residues pruned to eliminate duplicates Z: 47 53.243 2.173 0.907 0.703 0.978 0.783 CB 1.609 47 residues pruned to eliminate duplicates Z: 18 17.829 1.849 0.744 0.556 0.882 0.529 CB 1.439 18 residues pruned to eliminate duplicates Z: 9 9.412 1.521 0.939 0.834 0.875 0.375 N 0.967 9 residues pruned to eliminate duplicates Z: 27 27.521 1.961 0.815 0.732 0.923 0.731 CB 1.334 27 residues pruned to eliminate duplicates Z: 44 41.421 2.118 0.764 0.669 0.977 0.651 CB 1.480 44 residues pruned to eliminate duplicates Z: 16 24.551 2.114 0.946 0.606 0.867 0.600 CB 1.608 16 residues pruned to eliminate duplicates Z: 22 61.767 2.537 1.272 0.944 1.000 0.714 CB 1.620 22 residues pruned to eliminate duplicates Z: 7 4.675 1.550 0.360 0.459 0.833 0.333 CB 1.132 7 residues pruned to eliminate duplicates Z: 20 28.456 2.295 1.037 0.440 0.895 0.632 CB 1.660 20 residues pruned to eliminate duplicates Z: 8 3.551 1.617 0.477 0.314 0.571 0.429 CB 1.208 Z: 21 16.225 2.091 0.783 0.378 0.850 0.400 CB 1.303 21 residues pruned to eliminate duplicates Z: 152 98.422 2.336 1.009 0.619 0.934 0.675 CB 1.633 152 residues pruned to eliminate duplicates Z: 12 10.548 1.923 0.951 0.464 0.727 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 11 22.437 2.064 0.898 0.729 1.000 0.800 CB 1.474 11 residues pruned to eliminate duplicates Z: 24 20.450 2.071 0.936 0.367 0.826 0.565 CB 1.484 24 residues pruned to eliminate duplicates Z: 27 39.742 2.122 0.893 0.747 1.000 0.808 CB 1.556 27 residues pruned to eliminate duplicates Z: 25 23.996 2.183 0.831 0.471 0.833 0.500 CB 1.514 25 residues pruned to eliminate duplicates Z: 21 41.959 2.131 0.928 0.926 1.000 0.950 CB 1.602 21 residues pruned to eliminate duplicates Z: 12 17.562 1.981 1.117 0.486 0.909 0.636 CB 1.408 12 residues pruned to eliminate duplicates Z: 22 47.735 2.467 1.161 0.902 0.952 0.667 CB 1.464 22 residues pruned to eliminate duplicates 6 1.720 1.242 0.661 0.768 0.800 0.800 N 0.367 ? Z: 101 88.211 2.392 1.204 0.589 0.940 0.680 CB 1.634 101 residues pruned to eliminate duplicates Z: 64 37.664 2.028 0.929 0.537 0.889 0.635 CB 1.315 63 residues pruned to eliminate duplicates Z: 35 34.686 2.241 1.173 0.497 0.882 0.676 CB 1.388 35 residues pruned to eliminate duplicates Z: 32 29.736 2.202 1.033 0.454 0.839 0.677 CB 1.490 32 residues pruned to eliminate duplicates Z: 21 20.546 2.074 0.951 0.484 0.850 0.550 CB 1.358 21 residues pruned to eliminate duplicates Z: 128 100.129 2.349 1.163 0.615 0.961 0.717 CB 1.633 128 residues pruned to eliminate duplicates Z: 23 32.905 2.228 0.984 0.568 0.909 0.591 CB 1.635 23 residues pruned to eliminate duplicates Z: 23 38.123 2.050 0.842 0.884 0.955 0.909 CB 1.630 23 residues pruned to eliminate duplicates Z: 21 42.271 2.218 1.301 0.810 1.000 0.950 CB 1.414 21 residues pruned to eliminate duplicates Z: 46 43.381 2.262 1.066 0.479 0.911 0.711 CB 1.550 46 residues pruned to eliminate duplicates Z: 27 37.196 2.162 0.822 0.717 0.962 0.846 CB 1.582 27 residues pruned to eliminate duplicates Z: 12 9.214 1.766 0.772 0.438 0.818 0.545 CB 1.157 Z: 11 12.092 1.951 0.375 0.595 1.000 0.800 CB 1.302 11 residues pruned to eliminate duplicates Z: 6 2.872 1.747 0.463 0.442 0.800 0.600 CB 0.667 8 residues pruned to eliminate duplicates Z: 106 90.438 2.411 1.203 0.611 0.933 0.686 CB 1.602 106 residues pruned to eliminate duplicates Z: 32 39.818 2.139 0.723 0.731 0.968 0.774 CB 1.629 32 residues pruned to eliminate duplicates Z: 64 60.685 2.303 1.209 0.547 0.921 0.730 CB 1.559 64 residues pruned to eliminate duplicates Z: 21 27.497 2.079 1.005 0.561 0.950 0.550 CB 1.464 21 residues pruned to eliminate duplicates Z: 7 14.860 1.790 1.150 0.848 1.000 0.500 CB 1.169 7 residues pruned to eliminate duplicates Z: 19 19.832 1.802 0.749 0.603 1.000 0.722 CB 1.345 19 residues pruned to eliminate duplicates Z: 15 22.416 2.050 0.602 0.857 0.929 0.714 CB 1.448 15 residues pruned to eliminate duplicates Z: 88 63.193 2.213 1.085 0.584 0.920 0.690 CB 1.472 88 residues pruned to eliminate duplicates Z: 21 35.192 2.113 0.710 0.926 1.000 0.850 CB 1.527 21 residues pruned to eliminate duplicates Z: 57 67.933 2.382 1.094 0.656 0.964 0.732 CB 1.633 57 residues pruned to eliminate duplicates Z: 7 12.798 2.077 1.155 0.428 0.833 0.500 CB 1.509 7 residues pruned to eliminate duplicates Z: 17 13.352 1.569 0.414 0.900 1.000 0.938 CB 1.075 17 residues pruned to eliminate duplicates Z: 25 46.142 2.394 1.273 0.609 0.958 0.833 CB 1.629 25 residues pruned to eliminate duplicates Z: 7 5.474 1.734 0.061 0.720 1.000 0.833 CB 0.996 Z: 15 29.302 2.265 1.060 0.744 0.929 0.786 CB 1.454 15 residues pruned to eliminate duplicates Z: 6 4.066 1.359 0.814 0.431 0.800 0.600 CB 0.990 Z: 63 62.893 2.328 1.273 0.520 0.903 0.661 CB 1.639 63 residues pruned to eliminate duplicates Z: 152 96.055 2.337 1.065 0.593 0.921 0.682 CB 1.610 152 residues pruned to eliminate duplicates Z: 12 10.717 2.026 0.718 0.291 0.818 0.727 CB 1.434 12 residues pruned to eliminate duplicates Z: 35 36.782 2.229 1.087 0.492 0.912 0.618 CB 1.499 35 residues pruned to eliminate duplicates Z: 84 69.282 2.249 1.004 0.610 0.928 0.735 CB 1.638 84 residues pruned to eliminate duplicates Z: 19 24.465 2.142 0.830 0.483 0.944 0.556 CB 1.585 19 residues pruned to eliminate duplicates Z: 8 4.653 1.512 0.042 0.403 1.000 0.286 C 1.237 8 residues pruned to eliminate duplicates Z: 20 16.675 1.985 0.717 0.518 0.895 0.579 CB 1.233 20 residues pruned to eliminate duplicates Z: 32 24.538 1.943 0.803 0.552 0.935 0.645 CB 1.277 32 residues pruned to eliminate duplicates Z: 25 19.421 1.901 0.750 0.460 0.875 0.458 CB 1.419 25 residues pruned to eliminate duplicates Z: 85 70.197 2.358 1.109 0.587 0.905 0.655 CB 1.566 85 residues pruned to eliminate duplicates Z: 84 73.972 2.362 1.154 0.590 0.928 0.651 CB 1.578 84 residues pruned to eliminate duplicates Z: 25 19.746 1.844 0.718 0.623 0.917 0.667 CB 1.236 42 residues pruned to eliminate duplicates Z: 26 18.731 1.915 0.735 0.546 0.880 0.720 CB 1.225 26 residues pruned to eliminate duplicates Z: 16 15.995 1.883 0.595 0.557 0.867 0.733 CB 1.501 16 residues pruned to eliminate duplicates Z: 6 10.178 1.804 1.308 0.833 1.000 1.000 CB 0.820 Z: 19 17.408 1.799 0.683 0.571 0.944 0.778 CB 1.340 19 residues pruned to eliminate duplicates Z: 21 34.205 2.084 0.750 0.928 1.000 0.900 CB 1.469 21 residues pruned to eliminate duplicates Z: 57 46.460 2.243 1.017 0.490 0.929 0.732 CB 1.492 57 residues pruned to eliminate duplicates Z: 11 4.062 1.525 0.416 0.424 0.800 0.500 CB 0.804 Z: 11 15.209 2.125 0.975 0.496 0.900 0.500 CB 1.279 11 residues pruned to eliminate duplicates Z: 6 9.233 1.585 0.677 0.834 1.000 0.600 CA 1.165 6 residues pruned to eliminate duplicates Z: 12 21.207 2.128 1.187 0.648 0.909 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 81 47.936 2.092 0.966 0.508 0.938 0.663 CB 1.379 81 residues pruned to eliminate duplicates Z: 8 3.639 1.466 0.287 0.239 0.857 0.429 CA 1.151 Z: 17 26.394 1.895 0.823 0.873 1.000 0.875 CB 1.391 17 residues pruned to eliminate duplicates Z: 62 54.566 2.255 1.064 0.601 0.934 0.754 CB 1.459 62 residues pruned to eliminate duplicates Z: 15 9.078 1.741 0.504 0.533 0.857 0.571 CB 1.046 15 residues pruned to eliminate duplicates Z: 40 40.969 2.084 1.147 0.591 0.923 0.744 CB 1.456 40 residues pruned to eliminate duplicates Z: 41 40.989 2.042 0.870 0.659 0.975 0.675 CB 1.501 41 residues pruned to eliminate duplicates Z: 17 13.106 1.550 0.488 0.894 1.000 0.812 CB 1.019 Z: 6 7.171 1.554 0.330 0.775 1.000 1.000 CB 1.216 6 residues pruned to eliminate duplicates Z: 102 75.968 2.234 1.104 0.623 0.921 0.733 CB 1.555 102 residues pruned to eliminate duplicates Z: 15 13.076 1.674 0.335 0.911 1.000 0.929 CB 1.108 15 residues pruned to eliminate duplicates Z: 6 5.928 1.792 0.198 0.697 1.000 0.800 CB 1.032 6 residues pruned to eliminate duplicates Z: 24 21.021 1.947 0.772 0.613 0.913 0.826 CB 1.251 24 residues pruned to eliminate duplicates Z: 70 64.000 2.319 1.101 0.526 0.942 0.696 CB 1.636 70 residues pruned to eliminate duplicates Z: 11 5.174 1.774 0.094 0.499 0.900 0.600 CB 0.937 11 residues pruned to eliminate duplicates Z: 18 23.255 1.838 0.668 0.838 0.941 0.824 CB 1.461 18 residues pruned to eliminate duplicates Z: 81 64.211 2.280 1.081 0.592 0.925 0.700 CB 1.499 81 residues pruned to eliminate duplicates Z: 13 13.395 1.816 0.631 0.497 0.917 0.667 CA 1.427 13 residues pruned to eliminate duplicates Z: 82 66.727 2.292 0.986 0.569 0.926 0.704 CB 1.646 82 residues pruned to eliminate duplicates Z: 79 52.812 2.108 1.072 0.558 0.923 0.667 CB 1.402 79 residues pruned to eliminate duplicates Z: 22 36.321 2.024 0.931 0.912 1.000 0.762 CB 1.436 22 residues pruned to eliminate duplicates Z: 6 6.267 2.072 0.266 0.429 0.800 0.400 CB 1.438 6 residues pruned to eliminate duplicates 442 residues left after pruning, divided into chains as follows: A: 106 B: 18 C: 301 D: 17 CC for partial structure against native data = 46.40 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.551, Connect. = 0.790 for dens.mod. cycle 1 = 0.300, Contrast = 0.630, Connect. = 0.812 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) 2298 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 536 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 49.244 2.603 0.777 0.914 0.952 0.952 CB 1.725 B: 22 56.403 2.652 0.800 0.937 1.000 0.905 CB 1.793 22 residues pruned to eliminate duplicates C: 22 55.667 2.620 0.917 0.944 0.952 0.810 CB 1.759 22 residues pruned to eliminate duplicates D: 22 58.112 2.630 0.954 0.930 1.000 0.810 CB 1.726 22 residues pruned to eliminate duplicates E: 22 66.337 2.628 1.141 0.935 1.000 0.857 CB 1.793 22 residues pruned to eliminate duplicates F: 22 63.929 2.605 1.101 0.938 1.000 0.810 CB 1.773 22 residues pruned to eliminate duplicates G: 23 29.859 2.054 0.431 0.910 1.000 0.955 CB 1.536 H: 22 34.683 2.130 0.551 0.921 1.000 0.905 CB 1.612 23 residues pruned to eliminate duplicates I: 22 54.736 2.632 0.991 0.911 0.905 0.857 CB 1.785 22 residues pruned to eliminate duplicates J: 22 62.738 2.633 1.054 0.928 1.000 0.905 CB 1.773 22 residues pruned to eliminate duplicates K: 20 58.843 2.569 0.998 0.945 1.000 0.737 CB 1.820 L: 22 60.035 2.642 0.998 0.923 0.952 0.762 CB 1.830 22 residues pruned to eliminate duplicates M: 22 52.496 2.623 0.776 0.916 0.952 0.905 CB 1.823 22 residues pruned to eliminate duplicates N: 22 46.219 2.623 0.668 0.889 0.952 0.810 CB 1.743 22 residues pruned to eliminate duplicates O: 22 52.496 2.612 0.722 0.944 1.000 0.952 CB 1.764 22 residues pruned to eliminate duplicates P: 22 44.399 2.344 0.767 0.950 1.000 0.905 CB 1.613 Q: 21 30.339 2.181 0.470 0.888 1.000 0.850 CB 1.524 22 residues pruned to eliminate duplicates R: 22 61.703 2.611 1.231 0.899 0.952 0.667 CB 1.735 22 residues pruned to eliminate duplicates S: 22 41.839 2.340 0.680 0.948 1.000 0.857 CB 1.603 22 residues pruned to eliminate duplicates T: 22 48.475 2.333 0.944 0.944 1.000 0.905 CB 1.616 22 residues pruned to eliminate duplicates U: 22 63.659 2.630 1.176 0.901 0.952 0.857 CB 1.820 22 residues pruned to eliminate duplicates V: 69 58.452 2.299 1.036 0.509 0.926 0.588 CB 1.620 W: 22 39.753 2.306 0.617 0.937 1.000 0.952 CB 1.619 22 residues pruned to eliminate duplicates X: 22 60.418 2.634 1.008 0.917 0.952 0.810 CB 1.847 22 residues pruned to eliminate duplicates Y: 22 70.850 2.626 1.291 0.939 1.000 0.810 CB 1.786 22 residues pruned to eliminate duplicates Z: 142 92.184 2.338 0.937 0.611 0.929 0.702 CB 1.660 43 residues pruned to eliminate duplicates Z: 22 67.448 2.628 1.192 0.947 1.000 0.905 CB 1.766 22 residues pruned to eliminate duplicates Z: 21 58.867 2.450 1.147 0.934 1.000 0.700 CB 1.745 20 residues pruned to eliminate duplicates Z: 21 42.418 2.361 0.628 0.931 1.000 0.950 CB 1.725 21 residues pruned to eliminate duplicates Z: 23 29.434 2.092 0.373 0.888 1.000 0.864 CB 1.574 23 residues pruned to eliminate duplicates Z: 22 46.349 2.316 0.949 0.937 1.000 0.857 CB 1.559 22 residues pruned to eliminate duplicates Z: 23 35.565 2.279 0.881 0.565 1.000 0.591 CB 1.662 Z: 22 45.727 2.334 0.861 0.935 1.000 0.905 CB 1.601 22 residues pruned to eliminate duplicates Z: 52 78.258 2.562 1.148 0.660 0.941 0.647 CB 1.823 52 residues pruned to eliminate duplicates Z: 20 64.185 2.568 1.204 0.939 1.000 0.947 CB 1.807 21 residues pruned to eliminate duplicates Z: 63 48.900 2.139 0.952 0.564 0.952 0.677 CB 1.469 Z: 31 50.543 2.410 1.200 0.614 0.900 0.767 CB 1.736 31 residues pruned to eliminate duplicates Z: 21 67.578 2.533 1.365 0.934 1.000 0.800 CB 1.760 20 residues pruned to eliminate duplicates Z: 69 72.100 2.495 0.917 0.611 0.926 0.735 CB 1.776 69 residues pruned to eliminate duplicates Z: 22 50.263 2.325 1.029 0.939 1.000 0.857 CB 1.616 22 residues pruned to eliminate duplicates Z: 22 49.522 2.325 1.017 0.940 1.000 0.905 CB 1.600 22 residues pruned to eliminate duplicates Z: 22 68.910 2.630 1.196 0.950 1.000 0.762 CB 1.795 22 residues pruned to eliminate duplicates Z: 22 45.329 2.332 0.814 0.947 1.000 0.905 CB 1.616 22 residues pruned to eliminate duplicates Z: 21 61.942 2.532 1.218 0.935 1.000 1.000 CB 1.718 21 residues pruned to eliminate duplicates Z: 47 52.427 2.247 0.770 0.659 0.957 0.783 CB 1.754 47 residues pruned to eliminate duplicates Z: 20 67.615 2.592 1.248 0.939 1.000 0.947 CB 1.850 20 residues pruned to eliminate duplicates Z: 97 75.394 2.329 0.991 0.597 0.917 0.719 CB 1.650 97 residues pruned to eliminate duplicates Z: 113 76.421 2.290 0.997 0.548 0.955 0.652 CB 1.577 105 residues pruned to eliminate duplicates Z: 84 71.064 2.361 0.930 0.600 0.916 0.651 CB 1.698 89 residues pruned to eliminate duplicates Z: 21 64.873 2.491 1.387 0.949 1.000 0.850 CB 1.684 21 residues pruned to eliminate duplicates Z: 22 35.460 2.121 0.614 0.913 1.000 0.905 CB 1.599 22 residues pruned to eliminate duplicates Z: 28 36.877 2.175 0.672 0.697 1.000 0.778 CB 1.630 Z: 20 46.337 2.560 0.554 0.952 1.000 0.947 CB 1.840 20 residues pruned to eliminate duplicates Z: 20 50.423 2.564 0.683 0.958 1.000 1.000 CB 1.838 20 residues pruned to eliminate duplicates Z: 20 59.684 2.548 1.063 0.959 1.000 0.895 CB 1.786 20 residues pruned to eliminate duplicates Z: 109 99.794 2.503 1.102 0.604 0.963 0.704 CB 1.717 109 residues pruned to eliminate duplicates Z: 60 51.608 2.320 1.033 0.506 0.898 0.678 CB 1.577 60 residues pruned to eliminate duplicates Z: 32 36.877 2.228 1.045 0.561 0.935 0.613 CB 1.464 32 residues pruned to eliminate duplicates Z: 64 40.553 2.127 0.874 0.511 0.889 0.667 CB 1.427 64 residues pruned to eliminate duplicates Z: 22 46.298 2.593 0.550 0.940 1.000 0.810 CB 1.746 22 residues pruned to eliminate duplicates Z: 48 52.480 2.350 1.051 0.552 0.894 0.681 CB 1.688 48 residues pruned to eliminate duplicates Z: 64 44.762 2.150 0.924 0.537 0.937 0.667 CB 1.403 64 residues pruned to eliminate duplicates Z: 20 43.362 2.357 0.613 0.940 1.000 1.000 CB 1.816 20 residues pruned to eliminate duplicates Z: 41 34.726 2.132 0.943 0.532 0.875 0.725 CB 1.468 41 residues pruned to eliminate duplicates Z: 39 51.961 2.244 1.140 0.740 0.947 0.632 CB 1.493 39 residues pruned to eliminate duplicates Z: 112 77.333 2.324 0.916 0.574 0.928 0.658 CB 1.654 112 residues pruned to eliminate duplicates Z: 21 33.045 2.170 0.530 0.901 1.000 0.850 CB 1.589 21 residues pruned to eliminate duplicates Z: 81 73.140 2.468 1.013 0.562 0.900 0.663 CB 1.722 81 residues pruned to eliminate duplicates Z: 21 54.923 2.484 1.015 0.922 1.000 0.800 CB 1.725 21 residues pruned to eliminate duplicates Z: 75 67.364 2.412 0.859 0.581 0.946 0.649 CB 1.707 75 residues pruned to eliminate duplicates Z: 70 51.247 2.273 0.944 0.486 0.899 0.594 CB 1.575 69 residues pruned to eliminate duplicates Z: 104 74.791 2.356 0.972 0.561 0.903 0.631 CB 1.656 104 residues pruned to eliminate duplicates Z: 15 14.115 2.070 0.539 0.480 0.857 0.643 CB 1.410 14 residues pruned to eliminate duplicates Z: 121 84.793 2.309 1.031 0.583 0.942 0.717 CB 1.619 121 residues pruned to eliminate duplicates Z: 24 28.583 2.185 0.869 0.525 0.870 0.696 CB 1.637 25 residues pruned to eliminate duplicates Z: 84 76.076 2.366 0.983 0.614 0.952 0.747 CB 1.679 84 residues pruned to eliminate duplicates Z: 121 82.655 2.314 1.005 0.576 0.933 0.700 CB 1.619 121 residues pruned to eliminate duplicates Z: 107 67.559 2.190 0.925 0.592 0.943 0.708 CB 1.511 85 residues pruned to eliminate duplicates Z: 51 36.840 2.091 0.806 0.539 0.900 0.660 CB 1.475 52 residues pruned to eliminate duplicates Z: 111 76.439 2.332 1.003 0.561 0.936 0.655 CB 1.571 111 residues pruned to eliminate duplicates Z: 66 43.589 2.114 0.892 0.537 0.923 0.662 CB 1.412 66 residues pruned to eliminate duplicates Z: 21 57.320 2.375 1.197 0.952 1.000 0.800 CB 1.692 21 residues pruned to eliminate duplicates Z: 33 35.674 2.186 0.968 0.560 0.906 0.656 CB 1.526 33 residues pruned to eliminate duplicates Z: 23 30.504 2.062 0.431 0.905 1.000 0.909 CB 1.569 23 residues pruned to eliminate duplicates Z: 21 50.029 2.523 0.789 0.948 1.000 1.000 CB 1.711 21 residues pruned to eliminate duplicates Z: 14 20.579 2.066 0.684 0.667 0.923 0.615 CB 1.524 14 residues pruned to eliminate duplicates Z: 89 66.815 2.329 0.917 0.580 0.909 0.693 CB 1.625 89 residues pruned to eliminate duplicates Z: 20 39.099 2.354 0.434 0.946 1.000 1.000 CB 1.838 20 residues pruned to eliminate duplicates Z: 75 61.935 2.255 0.900 0.615 0.959 0.676 CB 1.572 75 residues pruned to eliminate duplicates Z: 23 35.984 2.054 0.674 0.936 1.000 0.909 CB 1.554 22 residues pruned to eliminate duplicates Z: 109 95.699 2.486 1.170 0.592 0.935 0.685 CB 1.671 109 residues pruned to eliminate duplicates Z: 11 27.157 2.208 0.967 0.681 1.000 0.800 CA 1.674 12 residues pruned to eliminate duplicates Z: 86 65.863 2.306 0.978 0.558 0.941 0.682 CB 1.573 86 residues pruned to eliminate duplicates Z: 21 25.673 2.376 0.767 0.428 0.900 0.500 CB 1.637 21 residues pruned to eliminate duplicates Z: 64 45.854 2.143 0.933 0.539 0.937 0.730 CB 1.433 64 residues pruned to eliminate duplicates Z: 21 52.779 2.504 0.955 0.937 1.000 0.800 CB 1.678 21 residues pruned to eliminate duplicates Z: 62 40.275 2.096 0.811 0.537 0.918 0.607 CB 1.427 62 residues pruned to eliminate duplicates Z: 22 51.201 2.326 1.134 0.935 1.000 0.810 CB 1.568 22 residues pruned to eliminate duplicates Z: 128 106.651 2.432 1.054 0.629 0.969 0.740 CB 1.732 114 residues pruned to eliminate duplicates Z: 69 69.776 2.462 1.077 0.584 0.897 0.676 CB 1.701 69 residues pruned to eliminate duplicates Z: 153 101.980 2.413 0.943 0.606 0.941 0.704 CB 1.696 153 residues pruned to eliminate duplicates Z: 32 46.792 2.458 1.245 0.524 0.903 0.710 CB 1.647 32 residues pruned to eliminate duplicates Z: 103 82.970 2.420 0.981 0.575 0.931 0.686 CB 1.711 103 residues pruned to eliminate duplicates Z: 100 96.541 2.493 1.151 0.609 0.939 0.697 CB 1.737 100 residues pruned to eliminate duplicates Z: 29 30.214 2.121 0.575 0.660 0.929 0.714 CB 1.587 29 residues pruned to eliminate duplicates Z: 122 86.633 2.306 1.077 0.594 0.942 0.686 CB 1.596 121 residues pruned to eliminate duplicates Z: 23 33.698 1.984 0.866 0.874 0.955 0.773 CB 1.480 22 residues pruned to eliminate duplicates Z: 105 81.820 2.375 0.947 0.588 0.952 0.683 CB 1.676 105 residues pruned to eliminate duplicates Z: 109 87.117 2.411 0.937 0.627 0.926 0.731 CB 1.721 109 residues pruned to eliminate duplicates Z: 63 45.065 2.135 0.857 0.562 0.952 0.661 CB 1.428 63 residues pruned to eliminate duplicates Z: 18 35.935 2.220 1.160 0.576 0.941 0.765 CB 1.795 17 residues pruned to eliminate duplicates Z: 22 52.245 2.331 1.140 0.933 1.000 0.810 CB 1.595 22 residues pruned to eliminate duplicates Z: 109 62.934 2.154 0.880 0.567 0.935 0.639 CB 1.498 109 residues pruned to eliminate duplicates Z: 17 25.211 2.007 0.452 0.889 1.000 0.812 CB 1.557 17 residues pruned to eliminate duplicates Z: 22 63.487 2.633 1.302 0.910 0.905 0.857 CB 1.792 22 residues pruned to eliminate duplicates Z: 24 32.475 2.246 0.656 0.574 1.000 0.696 CB 1.695 25 residues pruned to eliminate duplicates Z: 85 73.029 2.321 0.930 0.604 0.952 0.726 CB 1.692 85 residues pruned to eliminate duplicates Z: 28 30.405 2.122 0.543 0.673 0.963 0.704 CB 1.583 28 residues pruned to eliminate duplicates Z: 16 28.356 2.080 0.587 0.874 1.000 0.733 CB 1.615 16 residues pruned to eliminate duplicates Z: 22 48.912 2.331 0.962 0.949 1.000 0.952 CB 1.610 22 residues pruned to eliminate duplicates Z: 106 65.435 2.191 0.889 0.586 0.933 0.667 CB 1.522 106 residues pruned to eliminate duplicates Z: 33 64.610 2.517 1.165 0.714 0.969 0.719 CB 1.782 33 residues pruned to eliminate duplicates Z: 152 107.094 2.414 0.961 0.630 0.954 0.735 CB 1.708 152 residues pruned to eliminate duplicates Z: 17 31.011 1.990 0.911 0.911 1.000 0.812 CB 1.445 17 residues pruned to eliminate duplicates Z: 68 75.920 2.519 0.896 0.618 0.955 0.657 CB 1.819 68 residues pruned to eliminate duplicates Z: 8 14.517 1.847 0.745 0.835 1.000 0.857 CA 1.275 8 residues pruned to eliminate duplicates Z: 118 80.200 2.308 0.962 0.573 0.940 0.607 CB 1.623 118 residues pruned to eliminate duplicates Z: 6 13.213 2.149 0.304 0.803 1.000 0.800 CA 1.618 6 residues pruned to eliminate duplicates Z: 34 28.049 1.972 0.904 0.535 0.909 0.758 CB 1.382 34 residues pruned to eliminate duplicates Z: 64 44.597 2.147 0.925 0.530 0.921 0.746 CB 1.434 64 residues pruned to eliminate duplicates Z: 107 63.074 2.171 0.793 0.586 0.953 0.689 CB 1.521 107 residues pruned to eliminate duplicates Z: 57 67.181 2.444 0.983 0.624 0.929 0.661 CB 1.774 57 residues pruned to eliminate duplicates Z: 18 20.045 1.937 0.593 0.605 1.000 0.647 CB 1.426 Z: 41 26.614 2.055 0.855 0.458 0.850 0.600 CB 1.357 41 residues pruned to eliminate duplicates Z: 23 34.212 2.293 0.869 0.593 0.909 0.682 CB 1.713 23 residues pruned to eliminate duplicates Z: 151 106.008 2.442 1.007 0.583 0.940 0.680 CB 1.735 151 residues pruned to eliminate duplicates Z: 98 65.024 2.259 0.876 0.543 0.938 0.649 CB 1.592 98 residues pruned to eliminate duplicates Z: 62 47.749 2.169 0.900 0.563 0.934 0.672 CB 1.493 62 residues pruned to eliminate duplicates Z: 112 76.343 2.326 0.989 0.568 0.919 0.658 CB 1.596 112 residues pruned to eliminate duplicates Z: 25 28.917 2.162 0.725 0.485 0.958 0.667 CA 1.677 25 residues pruned to eliminate duplicates Z: 35 30.340 2.267 0.842 0.430 0.882 0.618 CB 1.519 35 residues pruned to eliminate duplicates Z: 129 101.246 2.433 1.004 0.625 0.953 0.711 CB 1.711 129 residues pruned to eliminate duplicates Z: 69 72.783 2.497 0.962 0.593 0.926 0.662 CB 1.779 69 residues pruned to eliminate duplicates Z: 14 15.217 1.875 0.125 0.901 1.000 0.923 CB 1.428 14 residues pruned to eliminate duplicates Z: 153 103.624 2.424 0.957 0.614 0.928 0.704 CB 1.714 153 residues pruned to eliminate duplicates Z: 143 76.102 2.243 0.880 0.547 0.930 0.697 CB 1.557 143 residues pruned to eliminate duplicates Z: 47 46.981 2.249 0.674 0.653 0.935 0.804 CB 1.707 47 residues pruned to eliminate duplicates Z: 16 29.667 2.048 0.870 0.893 1.000 0.867 CB 1.436 16 residues pruned to eliminate duplicates Z: 86 66.698 2.317 0.900 0.583 0.918 0.718 CB 1.653 86 residues pruned to eliminate duplicates Z: 50 39.725 2.131 0.937 0.525 0.918 0.694 CB 1.460 50 residues pruned to eliminate duplicates Z: 100 92.825 2.486 1.094 0.601 0.949 0.717 CB 1.714 100 residues pruned to eliminate duplicates Z: 21 47.820 2.491 0.830 0.908 1.000 0.850 CB 1.665 21 residues pruned to eliminate duplicates Z: 64 45.090 2.144 0.840 0.541 0.937 0.698 CB 1.477 64 residues pruned to eliminate duplicates Z: 109 90.742 2.486 1.089 0.578 0.935 0.704 CB 1.668 109 residues pruned to eliminate duplicates Z: 154 104.172 2.396 1.018 0.607 0.935 0.706 CB 1.684 154 residues pruned to eliminate duplicates Z: 22 54.548 2.336 1.158 0.958 1.000 0.905 CB 1.620 22 residues pruned to eliminate duplicates Z: 22 45.525 2.342 0.827 0.945 1.000 0.905 CB 1.607 22 residues pruned to eliminate duplicates Z: 84 72.323 2.365 0.907 0.622 0.940 0.759 CB 1.669 84 residues pruned to eliminate duplicates Z: 18 26.264 1.911 0.648 0.879 1.000 0.706 CB 1.467 18 residues pruned to eliminate duplicates Z: 26 30.286 2.188 0.813 0.505 0.920 0.520 CB 1.652 26 residues pruned to eliminate duplicates Z: 17 26.559 1.986 0.787 0.914 0.938 0.750 CB 1.411 17 residues pruned to eliminate duplicates Z: 17 26.278 1.965 0.774 0.853 0.938 0.625 CB 1.486 17 residues pruned to eliminate duplicates Z: 26 26.783 2.132 0.731 0.529 0.920 0.640 CB 1.533 26 residues pruned to eliminate duplicates Z: 21 66.470 2.485 1.492 0.960 1.000 0.950 CB 1.644 21 residues pruned to eliminate duplicates Z: 23 36.890 2.056 0.770 0.913 1.000 0.909 CB 1.529 23 residues pruned to eliminate duplicates Z: 16 27.618 2.073 0.612 0.901 1.000 0.933 CB 1.523 16 residues pruned to eliminate duplicates Z: 49 46.275 2.333 0.949 0.489 0.917 0.646 CB 1.620 49 residues pruned to eliminate duplicates Z: 153 111.312 2.424 1.040 0.614 0.961 0.697 CB 1.707 153 residues pruned to eliminate duplicates Z: 24 26.877 2.222 0.780 0.513 0.870 0.609 CB 1.609 24 residues pruned to eliminate duplicates Z: 22 35.681 2.146 0.598 0.920 1.000 0.857 CB 1.598 22 residues pruned to eliminate duplicates Z: 64 44.245 2.129 0.854 0.540 0.937 0.683 CB 1.451 64 residues pruned to eliminate duplicates Z: 69 61.795 2.294 1.075 0.536 0.941 0.691 CB 1.615 69 residues pruned to eliminate duplicates Z: 131 92.362 2.402 0.982 0.584 0.923 0.731 CB 1.701 131 residues pruned to eliminate duplicates Z: 153 108.737 2.438 0.970 0.626 0.947 0.704 CB 1.722 153 residues pruned to eliminate duplicates Z: 71 60.202 2.278 0.950 0.578 0.957 0.643 CB 1.569 71 residues pruned to eliminate duplicates Z: 7 10.893 2.174 0.327 0.795 0.833 0.667 CA 1.428 7 residues pruned to eliminate duplicates Z: 24 32.995 2.252 0.824 0.568 0.957 0.696 CB 1.640 24 residues pruned to eliminate duplicates Z: 108 81.308 2.423 1.048 0.549 0.925 0.664 CB 1.632 108 residues pruned to eliminate duplicates Z: 26 21.810 1.948 0.783 0.578 0.880 0.680 CB 1.325 26 residues pruned to eliminate duplicates Z: 6 13.945 2.176 0.521 0.842 1.000 0.800 CA 1.404 6 residues pruned to eliminate duplicates Z: 75 57.921 2.239 0.782 0.608 0.959 0.689 CB 1.588 75 residues pruned to eliminate duplicates Z: 8 8.593 2.149 0.916 0.496 0.714 0.571 CB 1.109 8 residues pruned to eliminate duplicates Z: 7 3.379 1.908 0.168 0.522 0.833 0.833 CB 0.727 Z: 68 71.619 2.488 0.878 0.603 0.955 0.672 CB 1.776 68 residues pruned to eliminate duplicates Z: 14 17.548 2.070 0.790 0.622 0.846 0.615 CB 1.384 14 residues pruned to eliminate duplicates Z: 6 4.507 1.588 -0.099 0.732 1.000 0.800 CB 1.143 6 residues pruned to eliminate duplicates Z: 8 16.929 1.795 0.853 0.819 1.000 0.571 CA 1.458 8 residues pruned to eliminate duplicates Z: 47 44.352 2.124 0.726 0.647 0.957 0.783 CB 1.625 47 residues pruned to eliminate duplicates Z: 7 4.314 1.615 0.413 0.577 0.833 0.333 CB 0.860 7 residues pruned to eliminate duplicates Z: 68 55.871 2.322 0.945 0.483 0.940 0.582 CB 1.635 68 residues pruned to eliminate duplicates Z: 84 73.390 2.377 0.930 0.607 0.928 0.771 CB 1.710 84 residues pruned to eliminate duplicates Z: 21 47.293 2.439 0.865 0.922 1.000 0.900 CB 1.636 21 residues pruned to eliminate duplicates Z: 69 66.869 2.472 0.825 0.605 0.912 0.676 CB 1.783 69 residues pruned to eliminate duplicates Z: 63 43.968 2.155 0.878 0.513 0.935 0.645 CB 1.456 63 residues pruned to eliminate duplicates Z: 12 13.719 2.054 0.443 0.502 0.909 0.636 CB 1.532 12 residues pruned to eliminate duplicates Z: 63 54.098 2.274 1.059 0.521 0.919 0.645 CB 1.563 63 residues pruned to eliminate duplicates Z: 68 76.545 2.522 0.928 0.620 0.955 0.672 CB 1.798 68 residues pruned to eliminate duplicates Z: 17 23.639 2.035 0.350 0.886 1.000 0.875 CB 1.553 17 residues pruned to eliminate duplicates Z: 16 22.426 2.045 0.348 0.886 1.000 0.867 CB 1.516 16 residues pruned to eliminate duplicates Z: 52 35.729 2.079 0.800 0.496 0.922 0.647 CB 1.457 52 residues pruned to eliminate duplicates Z: 11 26.164 2.214 1.066 0.696 0.900 0.800 CA 1.680 11 residues pruned to eliminate duplicates Z: 17 26.162 1.970 0.762 0.887 0.938 0.500 CB 1.449 17 residues pruned to eliminate duplicates Z: 120 95.001 2.465 1.111 0.582 0.924 0.689 CB 1.674 120 residues pruned to eliminate duplicates Z: 29 38.269 2.107 0.726 0.726 1.000 0.786 CB 1.623 29 residues pruned to eliminate duplicates Z: 24 36.423 2.054 0.719 0.927 1.000 0.957 CB 1.508 24 residues pruned to eliminate duplicates Z: 12 43.430 2.399 1.124 0.918 1.000 0.818 CB 1.813 12 residues pruned to eliminate duplicates Z: 101 59.597 2.225 0.860 0.503 0.920 0.630 CB 1.561 101 residues pruned to eliminate duplicates Z: 12 25.694 2.140 0.909 0.695 1.000 0.818 CA 1.587 12 residues pruned to eliminate duplicates Z: 13 35.839 2.159 1.070 0.939 1.000 0.667 CB 1.608 13 residues pruned to eliminate duplicates Z: 21 50.470 2.460 1.012 0.934 1.000 0.800 CB 1.590 21 residues pruned to eliminate duplicates Z: 19 16.074 1.848 0.555 0.557 0.944 0.611 CB 1.321 19 residues pruned to eliminate duplicates Z: 112 78.564 2.323 0.932 0.575 0.946 0.712 CB 1.633 112 residues pruned to eliminate duplicates Z: 21 28.948 2.146 0.395 0.889 0.950 0.900 CB 1.639 22 residues pruned to eliminate duplicates Z: 7 7.644 1.540 0.383 0.843 1.000 0.833 CA 1.091 7 residues pruned to eliminate duplicates Z: 52 41.999 2.176 0.927 0.531 0.922 0.725 CB 1.475 52 residues pruned to eliminate duplicates Z: 32 38.153 2.250 0.964 0.531 0.935 0.613 CB 1.607 32 residues pruned to eliminate duplicates Z: 19 19.266 1.854 0.681 0.572 1.000 0.667 CB 1.359 19 residues pruned to eliminate duplicates Z: 18 14.079 1.512 0.627 0.901 1.000 0.588 CB 0.991 Z: 17 22.288 1.987 0.455 0.863 0.938 0.875 CB 1.508 17 residues pruned to eliminate duplicates Z: 152 106.499 2.433 0.956 0.623 0.940 0.715 CB 1.725 152 residues pruned to eliminate duplicates Z: 22 31.306 2.103 0.482 0.927 1.000 1.000 CB 1.536 22 residues pruned to eliminate duplicates Z: 9 9.869 1.895 0.808 0.475 0.750 0.750 CB 1.393 9 residues pruned to eliminate duplicates Z: 16 10.172 1.565 0.237 0.897 1.000 0.533 CB 0.971 16 residues pruned to eliminate duplicates Z: 30 34.467 2.056 0.729 0.699 0.966 0.690 CB 1.555 30 residues pruned to eliminate duplicates Z: 6 4.098 1.951 -0.096 0.429 0.800 0.400 N 1.399 Z: 70 72.448 2.332 0.990 0.674 0.942 0.797 CB 1.699 70 residues pruned to eliminate duplicates Z: 127 90.308 2.453 0.912 0.582 0.929 0.643 CB 1.708 127 residues pruned to eliminate duplicates Z: 18 17.740 1.911 0.625 0.577 1.000 0.706 CB 1.287 18 residues pruned to eliminate duplicates Z: 34 44.444 2.309 0.973 0.567 0.909 0.727 CB 1.752 34 residues pruned to eliminate duplicates Z: 14 13.426 1.696 0.424 0.897 0.923 0.538 CB 1.195 14 residues pruned to eliminate duplicates Z: 121 76.053 2.302 0.838 0.581 0.933 0.667 CB 1.626 121 residues pruned to eliminate duplicates Z: 16 13.583 1.635 0.314 0.925 1.000 1.000 CB 1.146 16 residues pruned to eliminate duplicates Z: 122 97.787 2.464 1.095 0.579 0.934 0.694 CB 1.710 122 residues pruned to eliminate duplicates Z: 54 40.410 2.164 1.002 0.483 0.906 0.623 CB 1.439 54 residues pruned to eliminate duplicates Z: 8 8.743 1.624 0.397 0.838 1.000 0.857 C 1.089 8 residues pruned to eliminate duplicates Z: 42 34.934 2.198 0.831 0.493 0.927 0.683 CB 1.474 42 residues pruned to eliminate duplicates Z: 26 25.254 2.049 0.936 0.495 0.840 0.600 CB 1.523 26 residues pruned to eliminate duplicates Z: 65 38.719 2.112 0.808 0.509 0.875 0.688 CB 1.436 65 residues pruned to eliminate duplicates Z: 29 33.263 2.085 0.698 0.724 0.929 0.786 CB 1.562 29 residues pruned to eliminate duplicates Z: 64 47.438 2.150 0.906 0.560 0.937 0.667 CB 1.469 64 residues pruned to eliminate duplicates Z: 40 47.337 2.342 1.061 0.553 0.923 0.692 CB 1.615 40 residues pruned to eliminate duplicates Z: 17 17.070 1.902 0.543 0.571 0.938 0.750 CB 1.448 17 residues pruned to eliminate duplicates Z: 8 6.917 1.697 0.945 0.533 0.714 0.571 CA 1.073 8 residues pruned to eliminate duplicates Z: 7 9.298 2.044 0.718 0.355 0.833 0.333 CB 1.518 7 residues pruned to eliminate duplicates Z: 7 9.952 1.671 0.966 0.781 1.000 0.833 CB 0.966 7 residues pruned to eliminate duplicates Z: 21 55.711 2.363 1.227 0.937 1.000 0.850 CB 1.648 21 residues pruned to eliminate duplicates Z: 41 35.189 2.150 0.854 0.558 0.925 0.675 CB 1.426 41 residues pruned to eliminate duplicates Z: 32 26.311 2.226 0.862 0.366 0.839 0.484 CB 1.570 32 residues pruned to eliminate duplicates Z: 35 30.638 2.101 0.921 0.540 0.912 0.676 CB 1.373 35 residues pruned to eliminate duplicates Z: 26 18.085 2.014 0.786 0.552 0.760 0.680 CB 1.258 26 residues pruned to eliminate duplicates Z: 12 24.378 2.167 1.025 0.602 0.909 0.727 CA 1.672 12 residues pruned to eliminate duplicates Z: 11 16.696 2.193 0.807 0.671 0.900 0.800 CB 1.264 11 residues pruned to eliminate duplicates Z: 106 68.605 2.183 0.931 0.598 0.943 0.724 CB 1.534 106 residues pruned to eliminate duplicates Z: 6 8.018 1.743 0.655 0.848 0.800 0.800 CB 1.153 6 residues pruned to eliminate duplicates Z: 56 40.235 2.183 0.848 0.482 0.927 0.673 CB 1.477 56 residues pruned to eliminate duplicates Z: 16 24.942 2.062 0.483 0.906 1.000 1.000 CB 1.498 16 residues pruned to eliminate duplicates Z: 15 26.103 2.131 0.921 0.626 0.929 0.857 CB 1.629 15 residues pruned to eliminate duplicates Z: 108 78.781 2.329 1.010 0.573 0.944 0.692 CB 1.606 108 residues pruned to eliminate duplicates Z: 26 21.397 2.000 0.803 0.550 0.880 0.720 CB 1.284 26 residues pruned to eliminate duplicates Z: 60 55.766 2.260 0.877 0.627 0.949 0.644 CB 1.600 60 residues pruned to eliminate duplicates Z: 46 41.986 2.191 0.850 0.560 0.933 0.644 CB 1.562 46 residues pruned to eliminate duplicates Z: 10 3.299 1.500 -0.138 0.515 0.778 0.444 CB 1.077 7 residues pruned to eliminate duplicates Z: 19 37.732 2.396 0.580 0.901 0.944 0.944 CB 1.775 19 residues pruned to eliminate duplicates Z: 77 69.263 2.325 0.906 0.615 0.934 0.776 CB 1.720 77 residues pruned to eliminate duplicates Z: 29 35.176 2.121 0.752 0.722 0.929 0.857 CB 1.577 29 residues pruned to eliminate duplicates Z: 6 7.376 1.569 0.453 0.869 1.000 1.000 CA 1.057 6 residues pruned to eliminate duplicates Z: 12 31.089 2.127 1.003 0.931 1.000 0.909 CB 1.538 12 residues pruned to eliminate duplicates Z: 65 44.770 2.133 0.913 0.526 0.938 0.719 CB 1.426 65 residues pruned to eliminate duplicates Z: 51 37.892 2.086 0.805 0.542 0.960 0.680 CB 1.423 51 residues pruned to eliminate duplicates Z: 49 43.802 2.261 0.949 0.528 0.917 0.625 CB 1.523 49 residues pruned to eliminate duplicates Z: 67 52.855 2.331 0.944 0.488 0.894 0.621 CB 1.625 67 residues pruned to eliminate duplicates Z: 6 4.379 1.922 -0.416 0.764 1.000 0.800 CB 1.380 Z: 27 28.905 2.084 0.677 0.724 0.923 0.808 CB 1.436 27 residues pruned to eliminate duplicates Z: 52 40.439 2.111 0.907 0.511 0.961 0.667 CB 1.449 52 residues pruned to eliminate duplicates Z: 26 42.634 2.487 1.130 0.493 0.960 0.640 CB 1.688 26 residues pruned to eliminate duplicates Z: 13 16.157 2.064 0.751 0.685 0.833 0.750 CB 1.307 13 residues pruned to eliminate duplicates Z: 6 6.699 1.798 0.074 0.816 1.000 0.800 CB 1.179 Z: 16 25.465 2.025 0.523 0.913 1.000 1.000 CB 1.509 16 residues pruned to eliminate duplicates Z: 16 13.857 1.632 0.464 0.879 1.000 0.867 CB 1.086 16 residues pruned to eliminate duplicates Z: 89 64.775 2.283 0.971 0.551 0.943 0.659 CB 1.548 89 residues pruned to eliminate duplicates Z: 18 19.217 1.941 0.631 0.628 0.941 0.706 CB 1.387 18 residues pruned to eliminate duplicates Z: 32 24.282 2.028 0.841 0.495 0.871 0.710 CB 1.348 32 residues pruned to eliminate duplicates Z: 6 10.956 1.692 0.866 0.739 1.000 0.600 CB 1.253 6 residues pruned to eliminate duplicates Z: 10 12.863 1.885 1.198 0.710 1.000 0.889 CB 0.855 Z: 22 38.833 2.228 0.852 0.915 1.000 0.857 CB 1.452 22 residues pruned to eliminate duplicates Z: 6 5.355 1.907 0.831 0.583 0.800 0.600 CB 0.792 Z: 110 79.497 2.336 1.022 0.570 0.936 0.651 CB 1.610 110 residues pruned to eliminate duplicates Z: 19 16.891 2.108 0.665 0.433 0.833 0.556 CB 1.458 19 residues pruned to eliminate duplicates Z: 7 4.947 1.643 -0.102 0.625 1.000 0.500 CB 1.217 Z: 7 6.741 1.683 0.351 0.652 1.000 0.667 CA 1.051 7 residues pruned to eliminate duplicates Z: 11 13.627 1.853 0.527 0.634 1.000 0.600 CB 1.342 11 residues pruned to eliminate duplicates Z: 10 6.195 1.706 0.055 0.548 0.889 0.556 CB 1.231 7 residues pruned to eliminate duplicates Z: 16 15.306 1.626 0.593 0.874 1.000 0.800 CB 1.110 17 residues pruned to eliminate duplicates Z: 101 92.716 2.485 1.084 0.598 0.930 0.650 CB 1.753 101 residues pruned to eliminate duplicates Z: 30 43.183 2.266 0.907 0.750 0.931 0.724 CB 1.594 30 residues pruned to eliminate duplicates Z: 36 33.559 2.323 0.780 0.515 0.886 0.657 CB 1.527 36 residues pruned to eliminate duplicates Z: 24 24.683 2.103 0.692 0.634 0.957 0.696 CB 1.333 24 residues pruned to eliminate duplicates Z: 26 37.068 2.217 0.673 0.713 0.960 0.880 CB 1.717 26 residues pruned to eliminate duplicates Z: 68 75.327 2.378 0.992 0.663 0.955 0.806 CB 1.748 68 residues pruned to eliminate duplicates Z: 6 4.082 1.469 0.610 0.490 1.000 0.600 N 0.779 Z: 69 72.071 2.488 1.006 0.591 0.912 0.735 CB 1.760 69 residues pruned to eliminate duplicates Z: 17 11.695 1.581 0.354 0.877 1.000 0.562 CB 0.992 17 residues pruned to eliminate duplicates Z: 18 29.690 2.002 0.682 0.832 1.000 0.706 CB 1.606 18 residues pruned to eliminate duplicates Z: 16 19.161 1.952 0.633 0.571 1.000 0.667 CB 1.449 18 residues pruned to eliminate duplicates Z: 22 35.395 2.133 0.613 0.910 1.000 0.857 CB 1.592 22 residues pruned to eliminate duplicates Z: 133 95.789 2.369 1.005 0.600 0.947 0.727 CB 1.685 133 residues pruned to eliminate duplicates Z: 14 22.132 2.229 0.946 0.449 1.000 0.538 CB 1.492 14 residues pruned to eliminate duplicates Z: 43 33.685 2.096 0.843 0.598 0.929 0.667 CB 1.319 43 residues pruned to eliminate duplicates Z: 6 9.001 1.722 0.468 0.726 1.000 0.800 CA 1.299 6 residues pruned to eliminate duplicates Z: 6 4.969 1.673 0.129 0.814 1.000 1.000 CB 0.895 6 residues pruned to eliminate duplicates Z: 25 33.630 2.269 1.037 0.520 0.917 0.708 CB 1.589 25 residues pruned to eliminate duplicates Z: 13 15.251 2.009 0.471 0.563 0.917 0.750 CB 1.528 13 residues pruned to eliminate duplicates Z: 7 3.068 1.660 -0.231 0.497 0.833 0.500 CB 1.181 Z: 12 22.479 2.152 1.187 0.700 0.909 0.818 CB 1.320 12 residues pruned to eliminate duplicates Z: 16 16.052 2.155 0.838 0.394 0.800 0.400 CB 1.463 16 residues pruned to eliminate duplicates Z: 62 69.425 2.489 1.021 0.606 0.918 0.721 CB 1.740 62 residues pruned to eliminate duplicates Z: 69 56.204 2.306 1.021 0.504 0.912 0.647 CB 1.597 69 residues pruned to eliminate duplicates Z: 19 26.533 1.889 0.704 0.797 1.000 0.778 CB 1.498 19 residues pruned to eliminate duplicates Z: 16 15.289 1.904 0.775 0.575 0.800 0.667 CB 1.359 16 residues pruned to eliminate duplicates Z: 22 70.446 2.635 1.179 0.940 1.000 0.857 CB 1.860 22 residues pruned to eliminate duplicates Z: 28 34.784 2.152 0.688 0.691 0.963 0.741 CB 1.606 28 residues pruned to eliminate duplicates Z: 32 75.950 2.589 1.253 0.787 0.968 0.839 CB 1.878 32 residues pruned to eliminate duplicates Z: 76 60.918 2.269 0.940 0.577 0.947 0.680 CB 1.567 76 residues pruned to eliminate duplicates Z: 65 45.928 2.259 0.716 0.532 0.906 0.656 CB 1.584 65 residues pruned to eliminate duplicates Z: 6 12.188 2.330 0.179 0.683 1.000 0.800 CA 1.678 6 residues pruned to eliminate duplicates Z: 18 16.253 1.920 0.452 0.577 0.941 0.647 CB 1.395 18 residues pruned to eliminate duplicates Z: 64 47.608 2.137 0.947 0.565 0.937 0.730 CB 1.445 64 residues pruned to eliminate duplicates Z: 78 79.036 2.463 1.068 0.608 0.948 0.688 CB 1.684 78 residues pruned to eliminate duplicates Z: 52 40.420 2.084 0.899 0.528 0.961 0.686 CB 1.448 52 residues pruned to eliminate duplicates Z: 23 35.901 2.051 0.759 0.921 1.000 0.864 CB 1.493 23 residues pruned to eliminate duplicates 9 1.861 1.268 0.174 0.386 0.750 0.500 CB 0.666 ? Z: 108 92.315 2.461 1.069 0.594 0.935 0.738 CB 1.715 108 residues pruned to eliminate duplicates Z: 56 53.333 2.321 1.102 0.520 0.909 0.600 CB 1.590 56 residues pruned to eliminate duplicates Z: 61 51.312 2.298 1.029 0.509 0.917 0.633 CB 1.536 61 residues pruned to eliminate duplicates Z: 32 50.623 2.495 1.004 0.561 0.903 0.677 CB 1.897 32 residues pruned to eliminate duplicates Z: 23 38.964 2.148 0.636 0.862 1.000 0.864 CB 1.734 23 residues pruned to eliminate duplicates Z: 34 32.920 2.176 0.996 0.509 0.909 0.606 CB 1.439 34 residues pruned to eliminate duplicates Z: 64 35.388 2.099 0.799 0.502 0.857 0.667 CB 1.375 64 residues pruned to eliminate duplicates Z: 78 61.495 2.298 1.028 0.570 0.935 0.701 CB 1.503 78 residues pruned to eliminate duplicates Z: 64 74.340 2.491 0.913 0.626 0.952 0.698 CB 1.832 64 residues pruned to eliminate duplicates Z: 51 42.642 2.174 0.653 0.616 0.900 0.720 CB 1.671 51 residues pruned to eliminate duplicates Z: 26 19.301 2.014 0.798 0.585 0.800 0.720 CB 1.228 26 residues pruned to eliminate duplicates Z: 11 29.652 2.159 0.995 0.895 1.000 0.400 CB 1.560 11 residues pruned to eliminate duplicates Z: 6 8.932 1.674 0.786 0.711 0.800 0.800 CA 1.379 7 residues pruned to eliminate duplicates Z: 15 14.692 1.720 0.373 0.906 1.000 0.929 CB 1.182 15 residues pruned to eliminate duplicates Z: 7 2.315 1.582 0.036 0.385 0.667 0.500 CB 0.978 4 residues pruned to eliminate duplicates Z: 83 75.679 2.376 0.956 0.622 0.939 0.732 CB 1.706 83 residues pruned to eliminate duplicates Z: 8 13.022 1.800 0.773 0.791 1.000 0.571 N 1.195 8 residues pruned to eliminate duplicates Z: 22 24.501 2.043 0.316 0.900 1.000 0.810 CB 1.421 22 residues pruned to eliminate duplicates Z: 38 32.845 2.104 0.862 0.544 0.946 0.622 CB 1.396 38 residues pruned to eliminate duplicates Z: 24 14.555 1.803 0.485 0.500 0.957 0.478 CB 1.184 15 residues pruned to eliminate duplicates Z: 152 92.367 2.366 0.989 0.541 0.934 0.669 CB 1.642 250 residues pruned to eliminate duplicates Z: 8 8.284 1.937 0.809 0.651 0.571 0.571 CB 1.358 8 residues pruned to eliminate duplicates Z: 6 4.444 1.911 1.077 0.664 0.800 0.800 CB 0.538 Z: 8 10.884 1.811 0.486 0.766 1.000 0.857 CB 1.207 Z: 6 14.091 2.072 1.140 0.827 0.800 0.600 CB 1.339 6 residues pruned to eliminate duplicates Z: 9 4.342 1.645 0.320 0.470 0.875 0.750 CB 0.833 8 residues pruned to eliminate duplicates Z: 28 34.932 2.130 0.682 0.703 0.963 0.704 CB 1.620 Z: 49 51.222 2.210 0.973 0.622 0.958 0.750 CB 1.577 49 residues pruned to eliminate duplicates Z: 24 32.741 2.245 0.778 0.541 0.957 0.696 CB 1.717 24 residues pruned to eliminate duplicates Z: 44 72.785 2.571 1.123 0.670 0.953 0.744 CB 1.822 44 residues pruned to eliminate duplicates Z: 21 24.395 2.082 0.961 0.541 0.800 0.550 CB 1.603 21 residues pruned to eliminate duplicates Z: 23 25.738 2.196 0.836 0.512 0.818 0.636 CB 1.644 23 residues pruned to eliminate duplicates Z: 23 27.841 2.210 0.717 0.521 0.909 0.636 CB 1.685 23 residues pruned to eliminate duplicates Z: 23 36.386 2.037 0.781 0.913 1.000 1.000 CB 1.513 22 residues pruned to eliminate duplicates Z: 6 4.454 1.836 -0.351 0.751 1.000 0.600 N 1.335 Z: 6 6.320 1.773 -0.039 0.851 1.000 0.800 CA 1.227 6 residues pruned to eliminate duplicates Z: 7 4.762 1.641 -0.053 0.568 1.000 0.667 CB 1.170 Z: 24 22.006 1.987 0.683 0.613 0.913 0.739 CB 1.351 24 residues pruned to eliminate duplicates Z: 91 52.742 2.203 0.810 0.532 0.878 0.644 CB 1.539 101 residues pruned to eliminate duplicates Z: 43 34.108 2.050 0.954 0.514 0.905 0.714 CB 1.431 43 residues pruned to eliminate duplicates Z: 23 26.256 2.025 0.689 0.557 1.000 0.727 CB 1.549 23 residues pruned to eliminate duplicates Z: 113 73.914 2.293 0.952 0.550 0.929 0.634 CB 1.600 113 residues pruned to eliminate duplicates Z: 21 10.950 1.884 0.512 0.304 0.750 0.600 CB 1.425 21 residues pruned to eliminate duplicates Z: 6 9.695 1.658 0.627 0.759 1.000 1.000 CA 1.276 6 residues pruned to eliminate duplicates Z: 18 19.225 1.876 0.651 0.628 0.941 0.765 CB 1.417 24 residues pruned to eliminate duplicates Z: 22 36.470 2.061 0.763 0.929 1.000 0.762 CB 1.533 22 residues pruned to eliminate duplicates Z: 15 32.450 2.280 1.086 0.738 0.929 0.643 CB 1.586 15 residues pruned to eliminate duplicates Z: 26 26.364 2.160 0.695 0.490 0.920 0.520 CB 1.581 26 residues pruned to eliminate duplicates Z: 69 72.914 2.498 0.935 0.613 0.926 0.676 CB 1.774 77 residues pruned to eliminate duplicates Z: 16 27.483 2.026 0.670 0.925 1.000 0.933 CB 1.471 16 residues pruned to eliminate duplicates Z: 6 3.037 1.714 0.495 0.616 0.800 0.600 CB 0.594 Z: 14 24.277 2.109 0.961 0.672 0.923 0.923 CA 1.504 14 residues pruned to eliminate duplicates Z: 48 43.194 2.098 0.906 0.599 0.957 0.702 CB 1.498 48 residues pruned to eliminate duplicates Z: 16 14.427 1.629 0.476 0.874 1.000 0.800 CB 1.128 16 residues pruned to eliminate duplicates Z: 36 34.262 2.272 0.972 0.475 0.886 0.629 CB 1.498 36 residues pruned to eliminate duplicates Z: 36 37.625 2.240 0.987 0.496 0.914 0.714 CB 1.568 36 residues pruned to eliminate duplicates Z: 12 5.405 1.791 0.179 0.637 0.818 0.636 CB 0.829 6 residues pruned to eliminate duplicates Z: 44 61.582 2.479 0.969 0.661 0.977 0.721 CB 1.697 Z: 54 68.432 2.465 0.868 0.676 0.981 0.774 CB 1.768 98 residues pruned to eliminate duplicates Z: 49 60.881 2.416 1.072 0.623 0.917 0.708 CB 1.705 Z: 17 53.697 2.493 1.343 0.955 1.000 0.812 CB 1.579 17 residues pruned to eliminate duplicates Z: 74 57.020 2.249 0.781 0.626 0.945 0.685 CB 1.567 74 residues pruned to eliminate duplicates Z: 18 20.624 2.218 0.517 0.455 0.941 0.765 CB 1.653 18 residues pruned to eliminate duplicates Z: 17 22.421 1.995 0.420 0.911 1.000 0.938 CB 1.403 17 residues pruned to eliminate duplicates Z: 44 43.217 2.209 0.610 0.628 0.953 0.744 CB 1.722 44 residues pruned to eliminate duplicates Z: 45 62.809 2.496 1.061 0.637 0.932 0.727 CB 1.737 49 residues pruned to eliminate duplicates Z: 15 30.597 2.195 0.635 0.895 1.000 0.857 CB 1.633 15 residues pruned to eliminate duplicates Z: 8 10.851 1.742 0.784 0.705 1.000 0.571 CB 1.095 12 residues pruned to eliminate duplicates Z: 25 24.868 2.049 0.916 0.597 0.917 0.708 CB 1.286 25 residues pruned to eliminate duplicates Z: 6 4.422 1.267 0.328 0.781 1.000 0.400 CB 0.917 6 residues pruned to eliminate duplicates Z: 17 21.128 1.992 0.653 0.571 1.000 0.438 CB 1.498 17 residues pruned to eliminate duplicates Z: 16 12.657 1.619 0.530 0.883 0.933 0.733 CB 1.022 16 residues pruned to eliminate duplicates Z: 89 66.813 2.282 0.958 0.574 0.955 0.648 CB 1.555 89 residues pruned to eliminate duplicates Z: 12 3.697 1.657 0.062 0.459 0.727 0.727 CB 0.908 12 residues pruned to eliminate duplicates Z: 9 2.339 1.480 0.148 0.253 0.750 0.250 CB 0.862 Z: 63 47.386 2.164 0.963 0.551 0.935 0.694 CB 1.441 63 residues pruned to eliminate duplicates Z: 12 23.040 2.028 1.130 0.730 1.000 0.818 CB 1.307 12 residues pruned to eliminate duplicates Z: 16 14.389 1.628 0.512 0.864 1.000 0.800 CB 1.106 16 residues pruned to eliminate duplicates Z: 9 17.541 2.192 0.654 0.553 1.000 0.750 CB 1.624 9 residues pruned to eliminate duplicates Z: 84 73.793 2.331 0.933 0.639 0.928 0.747 CB 1.702 84 residues pruned to eliminate duplicates Z: 41 42.099 2.242 0.920 0.559 0.900 0.700 CB 1.623 41 residues pruned to eliminate duplicates Z: 16 16.382 2.115 0.598 0.421 0.867 0.600 CB 1.567 16 residues pruned to eliminate duplicates Z: 14 21.399 2.058 1.232 0.618 0.923 0.769 CB 1.253 14 residues pruned to eliminate duplicates Z: 16 14.043 1.657 0.474 0.867 1.000 0.600 CB 1.086 16 residues pruned to eliminate duplicates Z: 21 70.371 2.662 1.245 0.958 1.000 0.800 CB 1.805 17 residues pruned to eliminate duplicates Z: 25 32.140 1.972 0.809 0.765 1.000 1.000 CB 1.453 25 residues pruned to eliminate duplicates Z: 63 46.679 2.260 0.870 0.468 0.935 0.597 CB 1.549 63 residues pruned to eliminate duplicates Z: 6 3.923 1.694 -0.444 0.793 1.000 0.800 N 1.442 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 107 61.716 2.182 0.799 0.574 0.934 0.717 CB 1.522 107 residues pruned to eliminate duplicates Z: 29 38.153 2.217 0.662 0.759 0.964 0.893 CB 1.613 29 residues pruned to eliminate duplicates Z: 59 55.345 2.244 0.870 0.629 0.966 0.776 CB 1.589 59 residues pruned to eliminate duplicates Z: 106 67.738 2.195 0.886 0.598 0.952 0.714 CB 1.527 106 residues pruned to eliminate duplicates Z: 81 61.416 2.218 0.854 0.607 0.963 0.700 CB 1.566 81 residues pruned to eliminate duplicates Z: 45 48.317 2.223 0.762 0.639 1.000 0.705 CB 1.632 44 residues pruned to eliminate duplicates Z: 22 42.460 2.322 0.698 0.959 1.000 0.905 CB 1.611 22 residues pruned to eliminate duplicates Z: 76 61.718 2.234 0.886 0.617 0.960 0.720 CB 1.578 76 residues pruned to eliminate duplicates Z: 60 53.143 2.232 0.868 0.619 0.966 0.712 CB 1.535 60 residues pruned to eliminate duplicates Z: 108 61.571 2.167 0.843 0.555 0.935 0.720 CB 1.511 108 residues pruned to eliminate duplicates Z: 107 65.317 2.190 0.904 0.568 0.943 0.689 CB 1.511 107 residues pruned to eliminate duplicates Z: 75 64.860 2.243 0.993 0.615 0.946 0.689 CB 1.599 75 residues pruned to eliminate duplicates Z: 22 52.079 2.340 1.058 0.940 1.000 0.857 CB 1.639 22 residues pruned to eliminate duplicates Z: 108 70.878 2.185 0.928 0.591 0.963 0.664 CB 1.549 107 residues pruned to eliminate duplicates Z: 22 49.083 2.332 1.040 0.924 1.000 0.857 CB 1.582 22 residues pruned to eliminate duplicates Z: 74 66.344 2.269 0.979 0.627 0.959 0.699 CB 1.600 74 residues pruned to eliminate duplicates Z: 42 54.300 2.271 0.957 0.681 0.976 0.732 CB 1.657 42 residues pruned to eliminate duplicates Z: 43 49.743 2.228 0.932 0.649 0.976 0.619 CB 1.590 43 residues pruned to eliminate duplicates Z: 30 43.775 2.181 0.989 0.760 0.931 0.759 CB 1.598 30 residues pruned to eliminate duplicates Z: 57 52.963 2.207 0.874 0.664 0.964 0.625 CB 1.525 58 residues pruned to eliminate duplicates Z: 20 55.953 2.419 1.120 0.959 1.000 0.947 CB 1.715 20 residues pruned to eliminate duplicates Z: 75 66.759 2.237 1.031 0.622 0.959 0.689 CB 1.586 75 residues pruned to eliminate duplicates Z: 107 68.393 2.190 0.930 0.591 0.934 0.660 CB 1.543 107 residues pruned to eliminate duplicates Z: 22 53.248 2.376 1.038 0.904 1.000 0.857 CB 1.709 22 residues pruned to eliminate duplicates Z: 106 69.522 2.205 0.948 0.593 0.943 0.686 CB 1.533 106 residues pruned to eliminate duplicates Z: 7 9.142 1.559 1.013 0.478 1.000 0.667 O 1.216 7 residues pruned to eliminate duplicates Z: 43 46.539 2.233 0.910 0.634 0.952 0.690 CB 1.559 43 residues pruned to eliminate duplicates Z: 83 48.646 2.155 0.866 0.510 0.902 0.634 CB 1.465 83 residues pruned to eliminate duplicates Z: 84 63.181 2.218 0.946 0.600 0.928 0.699 CB 1.575 84 residues pruned to eliminate duplicates Z: 106 65.379 2.198 0.889 0.577 0.943 0.667 CB 1.513 106 residues pruned to eliminate duplicates Z: 42 54.921 2.279 1.008 0.674 0.976 0.707 CB 1.636 42 residues pruned to eliminate duplicates Z: 6 4.526 1.737 0.739 0.472 0.600 0.400 CA 1.149 6 residues pruned to eliminate duplicates Z: 45 37.721 2.103 0.840 0.565 0.932 0.727 CB 1.481 45 residues pruned to eliminate duplicates Z: 31 35.166 2.241 0.841 0.530 0.967 0.667 CB 1.563 31 residues pruned to eliminate duplicates Z: 45 48.217 2.223 0.896 0.643 0.977 0.682 CB 1.544 45 residues pruned to eliminate duplicates Z: 82 46.297 2.132 0.790 0.509 0.926 0.593 CB 1.443 82 residues pruned to eliminate duplicates Z: 64 44.217 2.154 0.866 0.538 0.921 0.603 CB 1.450 64 residues pruned to eliminate duplicates Z: 34 34.660 2.182 0.903 0.566 0.939 0.636 CB 1.451 34 residues pruned to eliminate duplicates Z: 15 21.088 2.221 0.795 0.518 0.929 0.714 CB 1.495 15 residues pruned to eliminate duplicates Z: 75 64.358 2.247 0.981 0.627 0.946 0.703 CB 1.576 75 residues pruned to eliminate duplicates Z: 32 42.238 2.273 1.019 0.603 0.935 0.710 CB 1.602 32 residues pruned to eliminate duplicates Z: 106 67.167 2.186 0.922 0.601 0.952 0.695 CB 1.488 106 residues pruned to eliminate duplicates Z: 64 43.034 2.131 0.820 0.522 0.937 0.651 CB 1.461 64 residues pruned to eliminate duplicates Z: 33 34.563 2.222 0.878 0.554 0.906 0.562 CB 1.533 33 residues pruned to eliminate duplicates Z: 33 34.520 2.197 0.903 0.539 0.938 0.656 CB 1.498 33 residues pruned to eliminate duplicates Z: 16 20.047 2.109 0.967 0.508 0.933 0.667 CB 1.327 16 residues pruned to eliminate duplicates Z: 64 46.965 2.154 0.911 0.553 0.921 0.651 CB 1.483 64 residues pruned to eliminate duplicates Z: 33 40.426 2.230 1.054 0.616 0.906 0.656 CB 1.543 33 residues pruned to eliminate duplicates Z: 64 44.182 2.132 0.849 0.539 0.937 0.683 CB 1.451 64 residues pruned to eliminate duplicates Z: 64 46.412 2.139 0.947 0.544 0.921 0.683 CB 1.461 64 residues pruned to eliminate duplicates Z: 33 41.290 2.247 1.110 0.564 0.938 0.750 CB 1.543 33 residues pruned to eliminate duplicates Z: 106 71.040 2.204 0.993 0.592 0.952 0.705 CB 1.517 106 residues pruned to eliminate duplicates Z: 82 44.180 2.004 0.797 0.583 0.938 0.642 CB 1.342 82 residues pruned to eliminate duplicates Z: 6 11.192 2.183 0.598 0.398 1.000 0.800 CA 1.597 6 residues pruned to eliminate duplicates Z: 64 43.495 2.148 0.890 0.524 0.905 0.635 CB 1.457 64 residues pruned to eliminate duplicates Z: 81 53.202 2.164 0.907 0.534 0.938 0.637 CB 1.487 81 residues pruned to eliminate duplicates Z: 65 40.522 2.124 0.853 0.511 0.891 0.609 CB 1.429 65 residues pruned to eliminate duplicates Z: 33 35.394 2.211 0.987 0.538 0.906 0.688 CB 1.513 33 residues pruned to eliminate duplicates Z: 34 36.355 2.215 1.022 0.534 0.909 0.606 CB 1.504 34 residues pruned to eliminate duplicates Z: 51 38.680 2.122 0.853 0.517 0.940 0.640 CB 1.455 51 residues pruned to eliminate duplicates Z: 51 41.626 2.145 0.894 0.567 0.920 0.660 CB 1.476 51 residues pruned to eliminate duplicates Z: 32 38.199 2.267 0.978 0.558 0.935 0.677 CB 1.547 32 residues pruned to eliminate duplicates Z: 53 33.892 2.074 0.761 0.478 0.904 0.635 CB 1.456 53 residues pruned to eliminate duplicates Z: 33 36.979 2.241 1.023 0.520 0.938 0.625 CB 1.509 33 residues pruned to eliminate duplicates Z: 106 65.522 2.200 0.876 0.598 0.943 0.714 CB 1.497 106 residues pruned to eliminate duplicates Z: 43 36.206 2.198 0.866 0.511 0.905 0.667 CB 1.488 43 residues pruned to eliminate duplicates Z: 53 39.327 2.089 0.949 0.532 0.904 0.673 CB 1.436 53 residues pruned to eliminate duplicates Z: 28 28.000 2.145 0.817 0.467 0.926 0.667 CB 1.544 28 residues pruned to eliminate duplicates Z: 40 36.154 2.148 0.942 0.542 0.949 0.692 CB 1.405 40 residues pruned to eliminate duplicates Z: 33 20.116 1.969 0.656 0.458 0.844 0.594 CB 1.349 33 residues pruned to eliminate duplicates Z: 10 13.222 2.065 0.674 0.384 1.000 0.556 CB 1.443 10 residues pruned to eliminate duplicates Z: 64 46.305 2.155 0.950 0.542 0.921 0.714 CB 1.447 64 residues pruned to eliminate duplicates Z: 51 40.194 2.140 0.903 0.510 0.940 0.720 CB 1.471 51 residues pruned to eliminate duplicates Z: 64 44.292 2.146 0.868 0.534 0.921 0.683 CB 1.462 64 residues pruned to eliminate duplicates Z: 37 26.730 1.967 0.815 0.493 0.944 0.611 CB 1.331 37 residues pruned to eliminate duplicates Z: 51 41.014 2.123 0.885 0.507 0.960 0.680 CB 1.499 51 residues pruned to eliminate duplicates Z: 64 40.852 2.135 0.826 0.498 0.921 0.619 CB 1.436 64 residues pruned to eliminate duplicates Z: 64 43.217 2.148 0.895 0.503 0.937 0.603 CB 1.424 64 residues pruned to eliminate duplicates Z: 51 40.403 2.138 0.840 0.545 0.940 0.720 CB 1.479 51 residues pruned to eliminate duplicates Z: 53 36.903 2.051 0.814 0.519 0.962 0.673 CB 1.404 53 residues pruned to eliminate duplicates Z: 44 25.501 1.815 0.667 0.677 0.930 0.721 CB 1.174 44 residues pruned to eliminate duplicates Z: 64 48.013 2.137 1.005 0.566 0.937 0.730 CB 1.414 64 residues pruned to eliminate duplicates Z: 52 38.331 2.102 0.927 0.535 0.902 0.706 CB 1.419 52 residues pruned to eliminate duplicates Z: 26 26.747 2.090 0.852 0.591 0.960 0.680 CB 1.320 26 residues pruned to eliminate duplicates Z: 64 43.379 2.134 0.909 0.537 0.921 0.683 CB 1.406 64 residues pruned to eliminate duplicates Z: 20 26.610 2.047 0.897 0.529 1.000 0.789 CB 1.527 20 residues pruned to eliminate duplicates Z: 64 47.691 2.140 0.972 0.537 0.952 0.714 CB 1.441 64 residues pruned to eliminate duplicates Z: 64 44.413 2.124 0.918 0.541 0.937 0.635 CB 1.410 64 residues pruned to eliminate duplicates Z: 39 27.004 2.009 0.837 0.513 0.921 0.632 CB 1.272 39 residues pruned to eliminate duplicates Z: 27 22.159 2.030 0.752 0.577 0.885 0.654 CB 1.283 27 residues pruned to eliminate duplicates Z: 81 55.199 2.166 0.969 0.536 0.950 0.675 CB 1.470 81 residues pruned to eliminate duplicates Z: 62 45.891 2.175 0.938 0.559 0.902 0.721 CB 1.460 62 residues pruned to eliminate duplicates Z: 51 39.070 2.122 0.833 0.535 0.960 0.700 CB 1.429 51 residues pruned to eliminate duplicates Z: 63 45.286 2.165 0.867 0.538 0.935 0.774 CB 1.465 63 residues pruned to eliminate duplicates Z: 32 26.110 1.999 0.843 0.563 0.871 0.613 CB 1.376 32 residues pruned to eliminate duplicates Z: 63 43.911 2.163 0.888 0.521 0.952 0.694 CB 1.406 63 residues pruned to eliminate duplicates Z: 25 23.997 2.075 0.829 0.567 0.917 0.750 CB 1.320 25 residues pruned to eliminate duplicates Z: 13 10.925 1.856 0.410 0.549 0.917 0.667 CB 1.253 13 residues pruned to eliminate duplicates Z: 23 14.667 1.809 0.542 0.484 0.909 0.636 CB 1.253 18 residues pruned to eliminate duplicates Z: 10 6.524 1.483 0.317 0.536 0.889 0.222 CB 1.209 10 residues pruned to eliminate duplicates Z: 18 17.684 1.930 0.687 0.565 0.882 0.706 CB 1.402 18 residues pruned to eliminate duplicates Z: 18 16.769 1.936 0.626 0.561 0.882 0.706 CB 1.379 18 residues pruned to eliminate duplicates Z: 23 15.550 1.812 0.647 0.492 0.909 0.591 CB 1.232 23 residues pruned to eliminate duplicates Z: 19 17.442 1.839 0.562 0.539 1.000 0.611 CB 1.377 19 residues pruned to eliminate duplicates Z: 20 13.647 1.809 0.461 0.519 0.895 0.684 CB 1.299 20 residues pruned to eliminate duplicates Z: 18 17.485 1.914 0.487 0.562 1.000 0.706 CB 1.404 18 residues pruned to eliminate duplicates Z: 18 17.561 1.851 0.669 0.517 0.941 0.588 CB 1.441 18 residues pruned to eliminate duplicates Z: 18 20.626 1.947 0.724 0.602 0.941 0.647 CB 1.437 18 residues pruned to eliminate duplicates Z: 6 5.246 1.563 0.297 0.647 1.000 0.600 CB 1.009 6 residues pruned to eliminate duplicates Z: 19 19.479 1.878 0.687 0.594 0.944 0.667 CB 1.403 23 residues pruned to eliminate duplicates Z: 10 14.011 2.039 0.807 0.553 0.889 0.667 CA 1.354 10 residues pruned to eliminate duplicates Z: 25 37.739 2.299 0.839 0.577 0.958 0.667 CB 1.765 25 residues pruned to eliminate duplicates Z: 8 14.517 1.925 0.874 0.743 1.000 0.429 CA 1.224 8 residues pruned to eliminate duplicates Z: 126 84.054 2.365 0.845 0.603 0.928 0.680 CB 1.683 175 residues pruned to eliminate duplicates Z: 82 80.163 2.511 0.957 0.604 0.938 0.691 CB 1.751 82 residues pruned to eliminate duplicates Z: 152 107.673 2.438 0.961 0.624 0.940 0.722 CB 1.734 152 residues pruned to eliminate duplicates Z: 109 92.745 2.498 1.036 0.582 0.944 0.704 CB 1.717 109 residues pruned to eliminate duplicates Z: 109 96.699 2.497 1.076 0.593 0.954 0.731 CB 1.721 109 residues pruned to eliminate duplicates Z: 70 75.436 2.484 0.911 0.616 0.971 0.681 CB 1.766 70 residues pruned to eliminate duplicates Z: 152 106.521 2.450 0.972 0.598 0.940 0.662 CB 1.737 152 residues pruned to eliminate duplicates Z: 67 74.634 2.522 0.921 0.611 0.939 0.712 CB 1.818 67 residues pruned to eliminate duplicates Z: 69 74.618 2.489 0.937 0.619 0.941 0.721 CB 1.782 69 residues pruned to eliminate duplicates Z: 25 39.758 2.345 0.848 0.591 0.958 0.542 CB 1.790 Z: 8 11.661 2.096 0.406 0.486 1.000 0.714 CA 1.516 8 residues pruned to eliminate duplicates Z: 29 28.521 2.248 0.811 0.451 0.893 0.536 CB 1.559 29 residues pruned to eliminate duplicates Z: 153 97.811 2.410 0.918 0.589 0.914 0.671 CB 1.723 178 residues pruned to eliminate duplicates Z: 152 107.198 2.444 0.965 0.612 0.947 0.689 CB 1.726 152 residues pruned to eliminate duplicates Z: 155 106.847 2.417 0.956 0.614 0.948 0.695 CB 1.724 155 residues pruned to eliminate duplicates Z: 152 106.122 2.442 0.927 0.613 0.954 0.748 CB 1.728 153 residues pruned to eliminate duplicates Z: 8 3.331 1.811 0.488 0.319 0.714 0.571 CB 0.798 Z: 25 53.297 2.574 0.814 0.831 0.958 0.833 CB 1.827 Z: 25 49.779 2.463 0.750 0.850 1.000 0.875 CB 1.746 25 residues pruned to eliminate duplicates Z: 68 75.355 2.514 0.975 0.608 0.955 0.701 CB 1.752 101 residues pruned to eliminate duplicates Z: 100 89.164 2.487 1.043 0.593 0.929 0.677 CB 1.736 100 residues pruned to eliminate duplicates Z: 45 68.540 2.521 0.901 0.654 1.000 0.773 CB 1.868 45 residues pruned to eliminate duplicates Z: 86 84.046 2.484 1.095 0.589 0.953 0.635 CB 1.688 86 residues pruned to eliminate duplicates Z: 85 78.335 2.463 0.983 0.579 0.940 0.667 CB 1.724 85 residues pruned to eliminate duplicates Z: 128 95.403 2.431 0.942 0.597 0.937 0.701 CB 1.744 128 residues pruned to eliminate duplicates Z: 152 108.945 2.443 0.981 0.615 0.947 0.728 CB 1.735 152 residues pruned to eliminate duplicates Z: 67 78.184 2.534 1.052 0.620 0.924 0.742 CB 1.789 67 residues pruned to eliminate duplicates Z: 110 91.349 2.467 1.056 0.579 0.954 0.688 CB 1.676 110 residues pruned to eliminate duplicates Z: 85 86.086 2.525 1.128 0.593 0.940 0.714 CB 1.701 85 residues pruned to eliminate duplicates Z: 108 99.042 2.508 1.125 0.581 0.953 0.636 CB 1.743 108 residues pruned to eliminate duplicates Z: 45 69.537 2.574 1.151 0.634 0.909 0.750 CB 1.837 45 residues pruned to eliminate duplicates Z: 53 69.284 2.490 1.041 0.645 0.942 0.692 CB 1.752 53 residues pruned to eliminate duplicates Z: 100 93.982 2.497 1.132 0.596 0.929 0.646 CB 1.742 100 residues pruned to eliminate duplicates Z: 69 80.220 2.505 1.081 0.603 0.941 0.721 CB 1.798 69 residues pruned to eliminate duplicates Z: 67 74.840 2.512 1.048 0.609 0.909 0.727 CB 1.776 67 residues pruned to eliminate duplicates Z: 50 69.537 2.493 1.103 0.665 0.939 0.755 CB 1.733 Z: 22 62.135 2.595 1.240 0.904 0.952 0.762 CB 1.745 22 residues pruned to eliminate duplicates Z: 22 66.568 2.605 1.203 0.946 1.000 0.714 CB 1.751 22 residues pruned to eliminate duplicates Z: 23 70.098 2.668 1.204 0.900 0.955 0.727 CB 1.902 23 residues pruned to eliminate duplicates Z: 24 59.403 2.629 1.108 0.826 0.957 0.826 CB 1.762 24 residues pruned to eliminate duplicates Z: 100 89.572 2.490 1.093 0.598 0.919 0.717 CB 1.712 150 residues pruned to eliminate duplicates Z: 70 73.822 2.486 0.992 0.603 0.942 0.739 CB 1.727 70 residues pruned to eliminate duplicates Z: 152 105.821 2.435 0.957 0.619 0.934 0.709 CB 1.729 152 residues pruned to eliminate duplicates Z: 69 78.217 2.505 1.048 0.613 0.941 0.618 CB 1.765 69 residues pruned to eliminate duplicates Z: 152 108.612 2.440 1.022 0.606 0.940 0.715 CB 1.723 152 residues pruned to eliminate duplicates Z: 6 9.621 2.054 0.482 0.429 1.000 0.600 C 1.521 6 residues pruned to eliminate duplicates Z: 105 81.067 2.384 0.973 0.584 0.923 0.702 CB 1.689 105 residues pruned to eliminate duplicates Z: 108 95.596 2.461 1.106 0.591 0.953 0.729 CB 1.714 108 residues pruned to eliminate duplicates Z: 45 70.582 2.555 1.028 0.646 0.977 0.705 CB 1.833 45 residues pruned to eliminate duplicates Z: 152 109.380 2.449 1.006 0.616 0.934 0.689 CB 1.737 152 residues pruned to eliminate duplicates Z: 103 83.379 2.403 1.018 0.575 0.931 0.735 CB 1.700 103 residues pruned to eliminate duplicates Z: 6 9.782 2.012 0.855 0.319 1.000 0.400 CA 1.432 6 residues pruned to eliminate duplicates Z: 85 75.523 2.452 1.040 0.564 0.917 0.643 CB 1.689 85 residues pruned to eliminate duplicates Z: 155 107.929 2.399 0.999 0.620 0.955 0.714 CB 1.696 155 residues pruned to eliminate duplicates Z: 67 79.054 2.516 1.082 0.616 0.955 0.697 CB 1.744 67 residues pruned to eliminate duplicates Z: 69 80.250 2.509 1.047 0.621 0.956 0.691 CB 1.770 69 residues pruned to eliminate duplicates Z: 70 75.232 2.473 1.042 0.606 0.928 0.681 CB 1.748 70 residues pruned to eliminate duplicates Z: 152 109.653 2.438 1.024 0.615 0.940 0.755 CB 1.725 152 residues pruned to eliminate duplicates 6 1.584 1.212 1.268 0.102 0.600 0.400 CA 0.714 ? Z: 6 3.820 1.769 0.734 0.296 0.800 0.600 CB 0.874 6 residues pruned to eliminate duplicates Z: 84 73.991 2.366 0.973 0.615 0.916 0.711 CB 1.703 84 residues pruned to eliminate duplicates Z: 84 72.755 2.375 0.916 0.606 0.940 0.723 CB 1.689 84 residues pruned to eliminate duplicates Z: 153 103.985 2.412 0.980 0.615 0.928 0.737 CB 1.707 153 residues pruned to eliminate duplicates 6 1.516 1.848 0.887 0.298 0.600 0.400 CB 0.406 ? Z: 6 6.935 1.740 0.642 0.426 1.000 0.400 CB 1.172 6 residues pruned to eliminate duplicates Z: 83 81.286 2.397 1.054 0.637 0.927 0.793 CB 1.730 83 residues pruned to eliminate duplicates Z: 86 76.750 2.461 1.060 0.581 0.894 0.706 CB 1.699 86 residues pruned to eliminate duplicates Z: 154 105.798 2.410 1.007 0.602 0.948 0.699 CB 1.693 154 residues pruned to eliminate duplicates Z: 85 77.034 2.366 0.979 0.624 0.952 0.690 CB 1.677 85 residues pruned to eliminate duplicates Z: 32 54.520 2.442 1.309 0.586 0.935 0.613 CB 1.710 32 residues pruned to eliminate duplicates Z: 83 69.620 2.354 0.855 0.609 0.927 0.707 CB 1.713 83 residues pruned to eliminate duplicates Z: 59 65.130 2.464 1.169 0.514 0.948 0.655 CB 1.664 59 residues pruned to eliminate duplicates Z: 128 96.420 2.438 0.964 0.611 0.945 0.756 CB 1.702 128 residues pruned to eliminate duplicates Z: 153 105.475 2.432 0.992 0.604 0.934 0.697 CB 1.712 153 residues pruned to eliminate duplicates Z: 72 65.705 2.365 0.822 0.637 0.958 0.761 CB 1.662 72 residues pruned to eliminate duplicates Z: 152 105.908 2.415 1.019 0.609 0.934 0.722 CB 1.706 152 residues pruned to eliminate duplicates Z: 102 81.454 2.397 1.002 0.579 0.921 0.743 CB 1.700 102 residues pruned to eliminate duplicates Z: 129 95.402 2.444 0.938 0.619 0.938 0.727 CB 1.696 129 residues pruned to eliminate duplicates Z: 70 69.954 2.370 0.870 0.642 0.971 0.739 CB 1.713 70 residues pruned to eliminate duplicates Z: 12 39.719 2.477 1.387 0.623 1.000 0.909 CB 1.803 12 residues pruned to eliminate duplicates Z: 128 105.330 2.441 1.097 0.633 0.937 0.780 CB 1.720 128 residues pruned to eliminate duplicates Z: 54 57.941 2.400 1.206 0.505 0.887 0.698 CB 1.686 54 residues pruned to eliminate duplicates Z: 85 68.560 2.340 0.907 0.576 0.929 0.690 CB 1.677 85 residues pruned to eliminate duplicates Z: 83 77.057 2.391 0.965 0.597 0.963 0.720 CB 1.714 83 residues pruned to eliminate duplicates Z: 16 15.371 2.240 0.840 0.340 0.867 0.600 CB 1.322 16 residues pruned to eliminate duplicates Z: 41 49.926 2.408 1.173 0.515 0.925 0.600 CB 1.606 41 residues pruned to eliminate duplicates Z: 84 71.041 2.382 0.912 0.592 0.940 0.723 CB 1.669 84 residues pruned to eliminate duplicates Z: 131 95.928 2.407 0.943 0.628 0.946 0.731 CB 1.685 131 residues pruned to eliminate duplicates Z: 83 73.923 2.400 0.890 0.615 0.939 0.744 CB 1.719 83 residues pruned to eliminate duplicates Z: 36 56.040 2.490 1.178 0.561 0.943 0.771 CB 1.746 36 residues pruned to eliminate duplicates Z: 85 71.221 2.355 0.905 0.608 0.940 0.738 CB 1.663 85 residues pruned to eliminate duplicates Z: 84 76.928 2.389 0.976 0.621 0.940 0.735 CB 1.698 84 residues pruned to eliminate duplicates Z: 85 73.553 2.378 0.979 0.608 0.917 0.714 CB 1.679 85 residues pruned to eliminate duplicates Z: 49 48.978 2.216 0.727 0.695 0.938 0.792 CB 1.648 49 residues pruned to eliminate duplicates Z: 96 92.954 2.496 1.175 0.587 0.937 0.726 CB 1.725 96 residues pruned to eliminate duplicates Z: 49 45.152 2.187 0.667 0.671 0.917 0.708 CB 1.665 49 residues pruned to eliminate duplicates Z: 35 62.576 2.501 1.300 0.608 0.941 0.735 CB 1.790 35 residues pruned to eliminate duplicates Z: 128 86.032 2.366 0.922 0.553 0.945 0.654 CB 1.688 25 residues pruned to eliminate duplicates Z: 7 10.051 1.835 0.567 0.457 1.000 0.333 CA 1.491 7 residues pruned to eliminate duplicates Z: 50 43.102 2.174 0.650 0.642 0.939 0.776 CB 1.601 50 residues pruned to eliminate duplicates Z: 48 47.316 2.246 0.800 0.651 0.872 0.787 CB 1.701 48 residues pruned to eliminate duplicates Z: 69 70.405 2.381 0.959 0.622 0.926 0.779 CB 1.761 69 residues pruned to eliminate duplicates Z: 85 72.625 2.349 0.939 0.598 0.940 0.702 CB 1.684 85 residues pruned to eliminate duplicates Z: 48 51.652 2.263 0.752 0.672 0.957 0.723 CB 1.694 48 residues pruned to eliminate duplicates Z: 85 72.393 2.375 0.921 0.606 0.929 0.690 CB 1.686 85 residues pruned to eliminate duplicates Z: 70 69.095 2.372 0.917 0.606 0.957 0.739 CB 1.729 70 residues pruned to eliminate duplicates Z: 47 53.737 2.269 0.729 0.712 0.957 0.826 CB 1.742 47 residues pruned to eliminate duplicates Z: 84 78.722 2.391 1.002 0.618 0.952 0.735 CB 1.696 84 residues pruned to eliminate duplicates Z: 85 75.852 2.369 0.945 0.613 0.952 0.726 CB 1.695 85 residues pruned to eliminate duplicates Z: 50 48.424 2.227 0.668 0.657 0.939 0.776 CB 1.715 50 residues pruned to eliminate duplicates Z: 47 49.930 2.251 0.748 0.676 0.935 0.804 CB 1.702 47 residues pruned to eliminate duplicates Z: 88 70.616 2.317 0.959 0.586 0.931 0.701 CB 1.650 88 residues pruned to eliminate duplicates Z: 153 106.284 2.431 0.957 0.612 0.947 0.664 CB 1.720 104 residues pruned to eliminate duplicates Z: 7 5.632 1.722 0.158 0.452 1.000 0.667 CA 1.211 7 residues pruned to eliminate duplicates Z: 84 75.473 2.377 0.963 0.631 0.928 0.771 CB 1.692 84 residues pruned to eliminate duplicates Z: 86 74.281 2.351 0.949 0.623 0.941 0.729 CB 1.663 86 residues pruned to eliminate duplicates Z: 48 51.568 2.240 0.753 0.669 0.957 0.745 CB 1.712 48 residues pruned to eliminate duplicates Z: 92 76.991 2.303 0.962 0.626 0.956 0.714 CB 1.659 92 residues pruned to eliminate duplicates Z: 72 66.876 2.363 0.914 0.624 0.944 0.831 CB 1.654 72 residues pruned to eliminate duplicates Z: 74 68.451 2.328 0.909 0.630 0.945 0.740 CB 1.688 74 residues pruned to eliminate duplicates Z: 84 73.319 2.363 0.954 0.593 0.952 0.711 CB 1.676 84 residues pruned to eliminate duplicates Z: 50 49.895 2.205 0.823 0.700 0.898 0.755 CB 1.645 50 residues pruned to eliminate duplicates Z: 71 67.008 2.361 0.933 0.626 0.929 0.786 CB 1.679 71 residues pruned to eliminate duplicates Z: 151 111.383 2.438 1.047 0.623 0.947 0.727 CB 1.714 151 residues pruned to eliminate duplicates Z: 54 45.826 2.145 0.722 0.610 0.943 0.717 CB 1.627 54 residues pruned to eliminate duplicates Z: 152 111.661 2.447 1.028 0.615 0.960 0.755 CB 1.711 152 residues pruned to eliminate duplicates Z: 22 36.556 2.138 0.641 0.903 1.000 0.810 CB 1.621 22 residues pruned to eliminate duplicates Z: 47 51.664 2.258 0.785 0.677 0.935 0.783 CB 1.718 47 residues pruned to eliminate duplicates Z: 83 80.518 2.399 1.036 0.618 0.951 0.756 CB 1.712 83 residues pruned to eliminate duplicates Z: 84 78.350 2.369 1.018 0.624 0.952 0.795 CB 1.681 84 residues pruned to eliminate duplicates Z: 84 76.655 2.372 0.962 0.622 0.952 0.771 CB 1.693 84 residues pruned to eliminate duplicates Z: 49 51.710 2.196 0.769 0.690 0.938 0.771 CB 1.722 49 residues pruned to eliminate duplicates Z: 50 45.791 2.149 0.694 0.665 0.959 0.878 CB 1.608 50 residues pruned to eliminate duplicates Z: 47 53.624 2.268 0.807 0.689 0.957 0.826 CB 1.696 47 residues pruned to eliminate duplicates Z: 152 102.015 2.427 0.940 0.591 0.947 0.742 CB 1.707 152 residues pruned to eliminate duplicates Z: 50 50.877 2.214 0.799 0.671 0.939 0.755 CB 1.659 50 residues pruned to eliminate duplicates Z: 71 66.262 2.357 0.908 0.614 0.943 0.700 CB 1.676 71 residues pruned to eliminate duplicates Z: 24 32.618 2.193 0.929 0.547 0.957 0.696 CB 1.605 24 residues pruned to eliminate duplicates Z: 70 52.245 2.211 0.951 0.500 0.928 0.565 CB 1.572 70 residues pruned to eliminate duplicates Z: 24 33.055 2.262 0.810 0.543 1.000 0.565 CB 1.613 24 residues pruned to eliminate duplicates Z: 24 30.923 2.274 0.878 0.489 0.913 0.609 CB 1.673 24 residues pruned to eliminate duplicates Z: 90 61.735 2.284 0.877 0.552 0.921 0.674 CB 1.575 90 residues pruned to eliminate duplicates Z: 24 33.348 2.278 0.756 0.526 1.000 0.609 CB 1.695 24 residues pruned to eliminate duplicates Z: 111 75.295 2.313 0.939 0.557 0.936 0.709 CB 1.618 111 residues pruned to eliminate duplicates Z: 120 80.275 2.321 0.945 0.578 0.924 0.681 CB 1.635 120 residues pruned to eliminate duplicates Z: 150 89.449 2.290 0.890 0.591 0.960 0.718 CB 1.617 150 residues pruned to eliminate duplicates Z: 26 33.801 2.220 0.874 0.551 0.920 0.560 CB 1.680 26 residues pruned to eliminate duplicates Z: 27 30.981 2.179 0.858 0.559 0.923 0.577 CB 1.535 27 residues pruned to eliminate duplicates Z: 26 35.273 2.195 0.791 0.577 1.000 0.560 CB 1.666 26 residues pruned to eliminate duplicates Z: 31 26.383 2.057 0.755 0.454 0.933 0.433 CB 1.499 31 residues pruned to eliminate duplicates Z: 111 77.165 2.326 0.950 0.561 0.945 0.645 CB 1.617 111 residues pruned to eliminate duplicates Z: 25 31.229 2.214 0.844 0.528 0.917 0.500 CB 1.657 25 residues pruned to eliminate duplicates Z: 72 61.163 2.252 0.842 0.615 0.944 0.676 CB 1.663 72 residues pruned to eliminate duplicates Z: 24 29.839 2.214 0.862 0.548 0.870 0.652 CB 1.657 24 residues pruned to eliminate duplicates Z: 26 28.660 2.179 0.678 0.538 0.960 0.640 CB 1.573 26 residues pruned to eliminate duplicates Z: 26 29.577 2.182 0.781 0.512 0.960 0.600 CB 1.567 26 residues pruned to eliminate duplicates Z: 25 31.297 2.213 0.829 0.507 0.917 0.583 CB 1.710 25 residues pruned to eliminate duplicates Z: 28 28.886 2.129 0.832 0.516 0.889 0.556 CB 1.578 28 residues pruned to eliminate duplicates Z: 23 33.974 2.307 0.802 0.532 0.955 0.682 CB 1.768 23 residues pruned to eliminate duplicates Z: 151 80.240 2.250 0.828 0.566 0.940 0.673 CB 1.590 151 residues pruned to eliminate duplicates Z: 113 78.677 2.327 0.991 0.567 0.920 0.661 CB 1.636 113 residues pruned to eliminate duplicates Z: 72 58.823 2.293 0.915 0.584 0.930 0.648 CB 1.578 72 residues pruned to eliminate duplicates Z: 86 67.822 2.291 0.933 0.573 0.965 0.600 CB 1.606 86 residues pruned to eliminate duplicates Z: 121 81.344 2.318 0.931 0.579 0.950 0.700 CB 1.619 121 residues pruned to eliminate duplicates Z: 111 76.397 2.338 0.911 0.563 0.945 0.636 CB 1.622 111 residues pruned to eliminate duplicates Z: 150 84.740 2.285 0.868 0.571 0.933 0.678 CB 1.627 150 residues pruned to eliminate duplicates Z: 119 76.967 2.327 0.922 0.556 0.915 0.661 CB 1.639 119 residues pruned to eliminate duplicates Z: 31 36.188 2.176 0.935 0.530 0.967 0.600 CB 1.576 31 residues pruned to eliminate duplicates Z: 84 73.069 2.378 1.012 0.594 0.952 0.723 CB 1.610 84 residues pruned to eliminate duplicates Z: 117 79.270 2.325 0.875 0.589 0.931 0.698 CB 1.666 117 residues pruned to eliminate duplicates Z: 122 81.810 2.301 0.966 0.562 0.950 0.653 CB 1.629 122 residues pruned to eliminate duplicates Z: 151 86.319 2.270 0.885 0.579 0.947 0.640 CB 1.613 151 residues pruned to eliminate duplicates Z: 122 80.318 2.301 0.960 0.568 0.942 0.686 CB 1.608 122 residues pruned to eliminate duplicates Z: 113 75.073 2.296 0.960 0.569 0.929 0.679 CB 1.589 113 residues pruned to eliminate duplicates Z: 111 80.336 2.335 0.982 0.570 0.945 0.645 CB 1.636 111 residues pruned to eliminate duplicates Z: 111 75.469 2.326 0.981 0.566 0.927 0.636 CB 1.580 111 residues pruned to eliminate duplicates Z: 90 63.387 2.271 0.946 0.553 0.933 0.640 CB 1.548 90 residues pruned to eliminate duplicates Z: 89 64.035 2.279 0.992 0.559 0.909 0.602 CB 1.561 89 residues pruned to eliminate duplicates Z: 111 78.297 2.315 0.997 0.568 0.945 0.691 CB 1.600 111 residues pruned to eliminate duplicates Z: 112 76.676 2.299 1.043 0.561 0.919 0.631 CB 1.590 112 residues pruned to eliminate duplicates Z: 112 79.908 2.319 1.064 0.573 0.928 0.694 CB 1.592 112 residues pruned to eliminate duplicates Z: 121 84.668 2.321 1.012 0.585 0.933 0.700 CB 1.633 121 residues pruned to eliminate duplicates Z: 113 76.448 2.303 0.953 0.574 0.920 0.634 CB 1.626 113 residues pruned to eliminate duplicates Z: 62 52.306 2.266 0.902 0.610 0.918 0.705 CB 1.524 62 residues pruned to eliminate duplicates Z: 121 86.186 2.319 1.051 0.580 0.942 0.667 CB 1.628 121 residues pruned to eliminate duplicates Z: 93 78.753 2.355 1.059 0.597 0.935 0.739 CB 1.651 93 residues pruned to eliminate duplicates Z: 119 86.071 2.345 1.061 0.566 0.932 0.636 CB 1.650 119 residues pruned to eliminate duplicates Z: 102 73.864 2.323 0.955 0.559 0.950 0.653 CB 1.609 102 residues pruned to eliminate duplicates Z: 120 86.942 2.331 1.081 0.571 0.941 0.655 CB 1.630 120 residues pruned to eliminate duplicates Z: 72 60.812 2.296 0.959 0.581 0.930 0.662 CB 1.597 72 residues pruned to eliminate duplicates Z: 114 78.573 2.292 1.017 0.565 0.956 0.673 CB 1.571 114 residues pruned to eliminate duplicates Z: 112 78.126 2.310 1.001 0.561 0.946 0.685 CB 1.598 112 residues pruned to eliminate duplicates Z: 70 64.278 2.316 1.024 0.579 0.957 0.739 CB 1.599 70 residues pruned to eliminate duplicates Z: 150 89.215 2.287 0.944 0.579 0.946 0.658 CB 1.610 150 residues pruned to eliminate duplicates Z: 113 77.902 2.312 1.027 0.572 0.929 0.634 CB 1.578 113 residues pruned to eliminate duplicates Z: 121 83.950 2.311 1.054 0.574 0.925 0.683 CB 1.625 121 residues pruned to eliminate duplicates Z: 121 83.537 2.318 1.014 0.570 0.942 0.692 CB 1.622 121 residues pruned to eliminate duplicates Z: 100 74.107 2.310 1.021 0.577 0.919 0.657 CB 1.612 100 residues pruned to eliminate duplicates Z: 121 85.930 2.326 1.047 0.577 0.933 0.683 CB 1.638 121 residues pruned to eliminate duplicates Z: 108 70.050 2.265 1.011 0.547 0.935 0.645 CB 1.520 108 residues pruned to eliminate duplicates Z: 62 62.074 2.311 1.050 0.559 0.951 0.656 CB 1.666 62 residues pruned to eliminate duplicates Z: 68 57.701 2.316 1.083 0.510 0.910 0.642 CB 1.589 68 residues pruned to eliminate duplicates Z: 113 78.408 2.308 0.959 0.576 0.955 0.616 CB 1.595 113 residues pruned to eliminate duplicates Z: 67 55.390 2.334 1.026 0.494 0.894 0.636 CB 1.623 67 residues pruned to eliminate duplicates Z: 39 53.546 2.426 1.126 0.612 0.921 0.737 CB 1.644 39 residues pruned to eliminate duplicates Z: 72 61.943 2.301 0.913 0.596 0.958 0.718 CB 1.590 72 residues pruned to eliminate duplicates Z: 65 45.693 2.208 0.977 0.516 0.891 0.641 CB 1.445 65 residues pruned to eliminate duplicates Z: 68 62.958 2.334 1.101 0.535 0.925 0.701 CB 1.638 68 residues pruned to eliminate duplicates Z: 104 75.182 2.306 1.031 0.566 0.942 0.650 CB 1.575 104 residues pruned to eliminate duplicates Z: 34 30.496 2.290 0.934 0.427 0.879 0.636 CB 1.471 34 residues pruned to eliminate duplicates Z: 112 77.545 2.327 0.987 0.574 0.919 0.631 CB 1.612 112 residues pruned to eliminate duplicates Z: 84 77.413 2.369 1.123 0.592 0.964 0.735 CB 1.606 84 residues pruned to eliminate duplicates Z: 36 31.298 2.285 0.912 0.388 0.886 0.571 CB 1.540 36 residues pruned to eliminate duplicates Z: 151 89.594 2.263 0.996 0.586 0.940 0.673 CB 1.586 151 residues pruned to eliminate duplicates Z: 60 51.998 2.315 0.982 0.509 0.915 0.627 CB 1.598 60 residues pruned to eliminate duplicates Z: 120 88.199 2.339 1.049 0.577 0.950 0.681 CB 1.650 120 residues pruned to eliminate duplicates Z: 33 34.716 2.325 0.937 0.475 0.906 0.531 CB 1.542 33 residues pruned to eliminate duplicates Z: 52 50.073 2.317 1.061 0.513 0.922 0.667 CB 1.573 52 residues pruned to eliminate duplicates Z: 112 78.486 2.315 1.005 0.573 0.937 0.685 CB 1.596 112 residues pruned to eliminate duplicates Z: 110 74.140 2.301 0.971 0.573 0.917 0.706 CB 1.591 110 residues pruned to eliminate duplicates Z: 92 81.748 2.367 1.146 0.598 0.945 0.725 CB 1.626 92 residues pruned to eliminate duplicates Z: 59 53.244 2.341 1.024 0.500 0.931 0.655 CB 1.585 59 residues pruned to eliminate duplicates Z: 68 63.456 2.321 1.163 0.541 0.925 0.657 CB 1.603 68 residues pruned to eliminate duplicates Z: 123 79.859 2.303 0.915 0.594 0.943 0.721 CB 1.589 123 residues pruned to eliminate duplicates Z: 121 87.503 2.312 1.068 0.577 0.958 0.650 CB 1.619 121 residues pruned to eliminate duplicates Z: 111 80.134 2.334 0.996 0.573 0.955 0.682 CB 1.601 111 residues pruned to eliminate duplicates Z: 113 76.269 2.299 1.006 0.578 0.920 0.714 CB 1.575 113 residues pruned to eliminate duplicates Z: 122 83.734 2.303 1.074 0.579 0.926 0.661 CB 1.595 122 residues pruned to eliminate duplicates Z: 113 76.421 2.302 1.001 0.566 0.929 0.688 CB 1.583 113 residues pruned to eliminate duplicates Z: 61 49.935 2.296 1.002 0.493 0.917 0.650 CB 1.541 61 residues pruned to eliminate duplicates Z: 60 51.071 2.330 0.996 0.492 0.915 0.661 CB 1.575 60 residues pruned to eliminate duplicates Z: 121 81.877 2.322 0.994 0.575 0.933 0.708 CB 1.609 121 residues pruned to eliminate duplicates Z: 111 79.792 2.334 1.035 0.563 0.927 0.627 CB 1.625 111 residues pruned to eliminate duplicates Z: 112 77.879 2.321 1.004 0.561 0.937 0.667 CB 1.598 112 residues pruned to eliminate duplicates Z: 149 89.385 2.292 0.950 0.579 0.939 0.682 CB 1.623 149 residues pruned to eliminate duplicates Z: 120 79.438 2.326 0.980 0.553 0.933 0.689 CB 1.609 120 residues pruned to eliminate duplicates Z: 116 72.975 2.262 1.015 0.530 0.939 0.696 CB 1.543 116 residues pruned to eliminate duplicates Z: 111 82.104 2.332 1.066 0.572 0.945 0.664 CB 1.603 111 residues pruned to eliminate duplicates Z: 116 68.784 2.256 0.912 0.569 0.896 0.696 CB 1.552 116 residues pruned to eliminate duplicates Z: 151 85.465 2.270 0.963 0.570 0.920 0.680 CB 1.591 151 residues pruned to eliminate duplicates Z: 145 89.808 2.307 0.975 0.585 0.931 0.667 CB 1.627 145 residues pruned to eliminate duplicates Z: 39 42.384 2.397 0.859 0.506 0.921 0.684 CB 1.665 39 residues pruned to eliminate duplicates Z: 119 82.582 2.330 1.008 0.566 0.932 0.661 CB 1.636 119 residues pruned to eliminate duplicates Z: 122 75.371 2.283 0.989 0.537 0.917 0.595 CB 1.586 122 residues pruned to eliminate duplicates Z: 21 25.170 2.093 0.953 0.472 0.850 0.550 CA 1.666 Z: 6 7.479 1.789 0.523 0.390 1.000 0.600 C 1.379 6 residues pruned to eliminate duplicates Z: 67 57.516 2.335 1.015 0.508 0.909 0.682 CB 1.642 88 residues pruned to eliminate duplicates Z: 11 21.065 2.248 0.857 0.612 0.900 0.800 CB 1.594 Z: 6 5.600 1.463 0.712 0.431 1.000 0.800 C 1.074 6 residues pruned to eliminate duplicates Z: 11 29.328 2.240 1.065 0.743 1.000 0.900 CA 1.612 11 residues pruned to eliminate duplicates Z: 6 3.308 1.484 0.976 0.272 0.600 0.600 CA 1.089 6 residues pruned to eliminate duplicates Z: 98 60.079 2.256 0.826 0.535 0.907 0.711 CB 1.577 109 residues pruned to eliminate duplicates Z: 13 19.741 1.966 0.980 0.630 0.917 0.833 CA 1.414 Z: 6 6.563 1.936 0.700 0.350 0.800 0.400 CA 1.311 6 residues pruned to eliminate duplicates Z: 28 32.493 2.144 0.648 0.672 0.926 0.741 CB 1.631 28 residues pruned to eliminate duplicates Z: 28 36.173 2.161 0.693 0.658 1.000 0.778 CB 1.643 28 residues pruned to eliminate duplicates Z: 18 31.596 1.979 0.882 0.800 1.000 0.824 CB 1.583 17 residues pruned to eliminate duplicates Z: 19 26.988 1.867 0.791 0.815 0.944 0.667 CA 1.533 19 residues pruned to eliminate duplicates Z: 151 82.943 2.233 0.926 0.577 0.933 0.680 CB 1.567 164 residues pruned to eliminate duplicates Z: 28 32.567 2.168 0.619 0.687 0.926 0.815 CB 1.624 28 residues pruned to eliminate duplicates Z: 29 32.972 2.111 0.661 0.650 1.000 0.821 CB 1.546 29 residues pruned to eliminate duplicates Z: 47 46.048 2.150 0.804 0.587 0.978 0.783 CB 1.646 28 residues pruned to eliminate duplicates Z: 17 26.051 1.993 0.555 0.875 1.000 0.750 CB 1.529 17 residues pruned to eliminate duplicates Z: 30 30.889 2.081 0.688 0.645 0.931 0.759 CB 1.532 30 residues pruned to eliminate duplicates Z: 28 37.149 2.165 0.740 0.690 1.000 0.741 CB 1.596 28 residues pruned to eliminate duplicates Z: 30 33.238 2.081 0.701 0.643 0.966 0.759 CB 1.581 30 residues pruned to eliminate duplicates Z: 28 33.917 2.153 0.670 0.677 0.963 0.778 CB 1.602 28 residues pruned to eliminate duplicates Z: 29 33.809 2.121 0.652 0.686 0.964 0.821 CB 1.595 29 residues pruned to eliminate duplicates Z: 29 32.501 2.128 0.602 0.665 0.964 0.714 CB 1.604 29 residues pruned to eliminate duplicates Z: 28 33.501 2.165 0.574 0.658 1.000 0.741 CB 1.634 28 residues pruned to eliminate duplicates Z: 27 32.225 2.190 0.655 0.659 0.923 0.731 CB 1.630 27 residues pruned to eliminate duplicates Z: 29 34.053 2.134 0.698 0.654 0.964 0.786 CB 1.597 29 residues pruned to eliminate duplicates Z: 49 28.795 1.873 0.765 0.613 0.917 0.688 CB 1.232 49 residues pruned to eliminate duplicates Z: 50 30.519 1.857 0.787 0.637 0.959 0.735 CB 1.205 50 residues pruned to eliminate duplicates Z: 16 13.982 1.617 0.439 0.895 1.000 0.800 CB 1.112 16 residues pruned to eliminate duplicates Z: 16 13.284 1.631 0.475 0.902 0.933 0.733 CB 1.089 16 residues pruned to eliminate duplicates Z: 16 14.767 1.652 0.533 0.866 1.000 0.733 CB 1.103 16 residues pruned to eliminate duplicates Z: 18 13.903 1.570 0.621 0.852 0.941 0.588 CB 1.041 18 residues pruned to eliminate duplicates Z: 18 12.590 1.565 0.572 0.861 0.882 0.471 CB 1.034 18 residues pruned to eliminate duplicates Z: 16 15.375 1.655 0.627 0.868 1.000 0.667 CB 1.077 16 residues pruned to eliminate duplicates Z: 16 14.328 1.664 0.476 0.868 1.000 0.733 CB 1.101 16 residues pruned to eliminate duplicates Z: 16 14.762 1.649 0.619 0.877 0.933 0.800 CB 1.111 16 residues pruned to eliminate duplicates Z: 16 14.065 1.649 0.475 0.871 1.000 0.667 CB 1.089 16 residues pruned to eliminate duplicates Z: 17 13.245 1.570 0.552 0.852 0.938 0.750 CB 1.072 17 residues pruned to eliminate duplicates Z: 43 25.979 1.893 0.698 0.648 0.905 0.690 CB 1.200 43 residues pruned to eliminate duplicates Z: 15 15.245 1.708 0.489 0.901 1.000 0.929 CB 1.144 15 residues pruned to eliminate duplicates Z: 83 45.513 2.003 0.797 0.588 0.963 0.720 CB 1.333 83 residues pruned to eliminate duplicates 442 residues left after pruning, divided into chains as follows: A: 19 B: 48 C: 203 D: 48 E: 124 CC for partial structure against native data = 45.85 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.546, Connect. = 0.788 for dens.mod. cycle 1 = 0.300, Contrast = 0.620, Connect. = 0.810 for dens.mod. cycle 2 = 0.300, Contrast = 0.746, Connect. = 0.831 for dens.mod. cycle 3 = 0.300, Contrast = 0.760, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.775, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.781, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.788, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.791, Connect. = 0.836 for dens.mod. cycle 8 = 0.300, Contrast = 0.795, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.796, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2371 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 51.918 2.615 0.656 0.942 1.000 0.905 CB 1.814 B: 22 57.048 2.613 0.939 0.942 0.952 0.857 CB 1.789 22 residues pruned to eliminate duplicates C: 22 58.254 2.628 0.899 0.943 1.000 0.952 CB 1.765 22 residues pruned to eliminate duplicates D: 21 65.332 2.702 0.987 0.954 1.000 0.950 CB 1.871 22 residues pruned to eliminate duplicates E: 22 52.874 2.602 0.871 0.911 0.952 0.905 CB 1.764 22 residues pruned to eliminate duplicates F: 22 59.383 2.621 1.009 0.902 1.000 0.952 CB 1.756 22 residues pruned to eliminate duplicates G: 22 59.534 2.592 1.197 0.913 0.905 0.857 CB 1.784 22 residues pruned to eliminate duplicates H: 22 55.165 2.611 0.858 0.927 1.000 0.952 CB 1.739 22 residues pruned to eliminate duplicates I: 23 32.034 2.061 0.465 0.899 1.000 0.864 CB 1.617 J: 22 57.108 2.623 0.821 0.923 1.000 0.905 CB 1.834 21 residues pruned to eliminate duplicates K: 11 30.217 2.606 0.703 0.924 0.900 0.800 CB 1.680 11 residues pruned to eliminate duplicates L: 22 62.586 2.616 1.102 0.940 0.952 0.905 CB 1.811 22 residues pruned to eliminate duplicates M: 21 50.543 2.689 0.554 0.940 1.000 0.900 CB 1.877 21 residues pruned to eliminate duplicates N: 22 48.442 2.330 0.980 0.936 1.000 0.762 CB 1.596 O: 21 49.986 2.398 0.916 0.957 1.000 0.900 CB 1.670 22 residues pruned to eliminate duplicates P: 22 58.779 2.609 0.978 0.949 0.952 0.714 CB 1.801 22 residues pruned to eliminate duplicates Q: 23 62.907 2.562 1.171 0.899 0.955 0.727 CB 1.805 22 residues pruned to eliminate duplicates R: 21 57.263 2.482 1.206 0.898 0.950 0.750 CB 1.760 S: 22 33.393 2.148 0.515 0.925 1.000 0.952 CB 1.571 22 residues pruned to eliminate duplicates T: 22 62.309 2.599 1.129 0.910 0.952 0.762 CB 1.830 22 residues pruned to eliminate duplicates U: 20 47.691 2.430 0.684 0.945 1.000 1.000 CB 1.850 20 residues pruned to eliminate duplicates V: 21 63.700 2.700 0.924 0.942 1.000 0.900 CB 1.902 21 residues pruned to eliminate duplicates W: 22 63.768 2.619 1.275 0.910 0.905 0.762 CB 1.831 22 residues pruned to eliminate duplicates X: 21 51.783 2.384 0.983 0.948 1.000 0.750 CB 1.691 21 residues pruned to eliminate duplicates Y: 21 41.757 2.364 0.675 0.930 1.000 0.850 CB 1.648 21 residues pruned to eliminate duplicates Z: 111 77.471 2.317 0.953 0.564 0.955 0.664 CB 1.607 21 residues pruned to eliminate duplicates Z: 22 66.405 2.614 1.159 0.932 1.000 0.905 CB 1.793 22 residues pruned to eliminate duplicates Z: 22 70.014 2.634 1.181 0.949 1.000 0.952 CB 1.836 22 residues pruned to eliminate duplicates Z: 22 39.662 2.309 0.699 0.940 1.000 0.714 CB 1.532 22 residues pruned to eliminate duplicates Z: 65 63.810 2.374 1.088 0.533 0.922 0.672 CB 1.691 Z: 131 102.259 2.397 0.987 0.638 0.962 0.723 CB 1.720 113 residues pruned to eliminate duplicates Z: 20 68.527 2.554 1.338 0.942 1.000 0.632 CB 1.826 20 residues pruned to eliminate duplicates Z: 22 69.638 2.639 1.188 0.947 1.000 1.000 CB 1.819 22 residues pruned to eliminate duplicates Z: 22 33.001 2.158 0.419 0.923 1.000 0.952 CB 1.653 22 residues pruned to eliminate duplicates Z: 22 50.443 2.335 1.003 0.945 1.000 0.905 CB 1.629 22 residues pruned to eliminate duplicates Z: 21 28.320 2.191 0.345 0.908 0.950 0.850 CB 1.606 21 residues pruned to eliminate duplicates Z: 21 38.778 2.351 0.533 0.939 1.000 0.800 CB 1.671 21 residues pruned to eliminate duplicates Z: 21 53.984 2.503 0.946 0.938 1.000 0.900 CB 1.723 21 residues pruned to eliminate duplicates Z: 22 48.397 2.330 0.937 0.941 1.000 0.810 CB 1.624 22 residues pruned to eliminate duplicates Z: 20 65.768 2.581 1.188 0.952 1.000 0.947 CB 1.840 20 residues pruned to eliminate duplicates Z: 106 67.197 2.200 0.897 0.595 0.962 0.714 CB 1.492 21 residues pruned to eliminate duplicates Z: 20 47.226 2.423 0.691 0.952 1.000 0.947 CB 1.821 20 residues pruned to eliminate duplicates Z: 19 70.534 2.538 1.434 0.953 1.000 0.667 CB 1.852 19 residues pruned to eliminate duplicates Z: 69 70.078 2.482 0.879 0.612 0.912 0.735 CB 1.797 45 residues pruned to eliminate duplicates Z: 85 80.720 2.381 1.060 0.623 0.940 0.714 CB 1.701 86 residues pruned to eliminate duplicates Z: 152 107.239 2.433 0.992 0.600 0.940 0.755 CB 1.741 152 residues pruned to eliminate duplicates Z: 21 61.404 2.499 1.240 0.930 1.000 0.900 CB 1.715 21 residues pruned to eliminate duplicates Z: 21 37.391 2.208 0.652 0.915 1.000 1.000 CB 1.620 21 residues pruned to eliminate duplicates Z: 59 72.825 2.517 1.024 0.632 0.966 0.707 CB 1.717 59 residues pruned to eliminate duplicates Z: 102 75.566 2.343 0.941 0.593 0.941 0.644 CB 1.609 102 residues pruned to eliminate duplicates Z: 15 29.399 2.395 1.316 0.519 0.929 0.429 CB 1.498 15 residues pruned to eliminate duplicates Z: 224 125.257 2.381 1.044 0.607 0.928 0.691 CB 1.678 224 residues pruned to eliminate duplicates Z: 150 85.037 2.282 0.915 0.581 0.926 0.725 CB 1.593 111 residues pruned to eliminate duplicates Z: 21 50.205 2.522 0.771 0.933 1.000 0.950 CB 1.755 21 residues pruned to eliminate duplicates Z: 18 56.471 2.466 0.925 0.949 1.000 1.000 CB 1.991 18 residues pruned to eliminate duplicates Z: 20 67.490 2.568 1.324 0.919 1.000 0.789 CB 1.829 20 residues pruned to eliminate duplicates Z: 21 49.165 2.516 0.710 0.954 1.000 1.000 CB 1.758 21 residues pruned to eliminate duplicates Z: 98 66.734 2.257 0.916 0.560 0.928 0.691 CB 1.593 98 residues pruned to eliminate duplicates Z: 82 43.882 2.138 0.785 0.502 0.889 0.593 CB 1.434 82 residues pruned to eliminate duplicates Z: 67 56.114 2.297 0.987 0.511 0.924 0.697 CB 1.621 67 residues pruned to eliminate duplicates Z: 59 52.904 2.346 1.019 0.511 0.914 0.672 CB 1.589 59 residues pruned to eliminate duplicates Z: 23 30.338 2.070 0.528 0.892 0.955 0.773 CB 1.539 23 residues pruned to eliminate duplicates Z: 20 57.340 2.580 0.888 0.946 1.000 0.947 CB 1.868 20 residues pruned to eliminate duplicates Z: 33 30.863 2.146 0.947 0.563 0.844 0.656 CB 1.456 33 residues pruned to eliminate duplicates Z: 113 73.388 2.289 0.999 0.569 0.920 0.670 CB 1.541 113 residues pruned to eliminate duplicates Z: 64 46.639 2.141 0.885 0.579 0.937 0.635 CB 1.441 64 residues pruned to eliminate duplicates Z: 41 37.818 2.128 0.958 0.582 0.925 0.700 CB 1.434 41 residues pruned to eliminate duplicates Z: 67 74.988 2.524 0.879 0.628 0.939 0.697 CB 1.837 67 residues pruned to eliminate duplicates Z: 56 56.725 2.312 0.821 0.660 0.927 0.709 CB 1.689 56 residues pruned to eliminate duplicates Z: 22 49.642 2.336 0.967 0.947 1.000 0.905 CB 1.629 22 residues pruned to eliminate duplicates Z: 152 103.470 2.443 0.899 0.610 0.940 0.728 CB 1.739 152 residues pruned to eliminate duplicates Z: 47 52.393 2.264 0.686 0.730 0.957 0.826 CB 1.720 47 residues pruned to eliminate duplicates Z: 52 39.958 2.175 0.861 0.517 0.941 0.627 CB 1.445 52 residues pruned to eliminate duplicates Z: 42 39.082 2.131 0.723 0.627 0.951 0.707 CB 1.551 42 residues pruned to eliminate duplicates Z: 150 85.585 2.275 0.932 0.577 0.926 0.705 CB 1.598 150 residues pruned to eliminate duplicates Z: 27 28.687 2.128 0.795 0.527 0.962 0.615 CB 1.492 27 residues pruned to eliminate duplicates Z: 82 49.582 2.153 0.836 0.534 0.938 0.630 CB 1.437 82 residues pruned to eliminate duplicates Z: 151 111.473 2.454 1.026 0.617 0.947 0.753 CB 1.731 151 residues pruned to eliminate duplicates Z: 62 45.497 2.155 0.951 0.573 0.902 0.705 CB 1.432 62 residues pruned to eliminate duplicates Z: 48 41.670 2.146 0.710 0.597 0.915 0.681 CB 1.650 48 residues pruned to eliminate duplicates Z: 127 84.948 2.365 0.934 0.563 0.929 0.651 CB 1.677 127 residues pruned to eliminate duplicates Z: 64 43.370 2.144 0.963 0.545 0.873 0.714 CB 1.423 64 residues pruned to eliminate duplicates Z: 143 75.358 2.245 0.883 0.549 0.915 0.648 CB 1.557 143 residues pruned to eliminate duplicates Z: 40 34.484 2.150 0.919 0.554 0.923 0.667 CB 1.376 40 residues pruned to eliminate duplicates Z: 60 48.922 2.298 0.979 0.487 0.915 0.678 CB 1.551 60 residues pruned to eliminate duplicates Z: 21 51.402 2.530 0.827 0.944 1.000 0.900 CB 1.722 21 residues pruned to eliminate duplicates Z: 18 37.039 2.234 0.967 0.862 0.941 0.765 CB 1.595 18 residues pruned to eliminate duplicates Z: 20 63.606 2.433 1.219 0.957 1.000 1.000 CB 1.855 24 residues pruned to eliminate duplicates Z: 22 31.870 2.149 0.469 0.917 1.000 0.952 CB 1.555 22 residues pruned to eliminate duplicates Z: 22 29.642 2.178 0.336 0.895 1.000 1.000 CB 1.593 22 residues pruned to eliminate duplicates Z: 14 15.418 1.925 0.630 0.585 0.923 0.692 CB 1.360 14 residues pruned to eliminate duplicates Z: 41 58.276 2.417 1.382 0.563 0.925 0.700 CB 1.627 41 residues pruned to eliminate duplicates Z: 36 34.673 2.155 0.907 0.567 0.914 0.714 CB 1.462 36 residues pruned to eliminate duplicates Z: 20 52.219 2.507 0.796 0.946 1.000 1.000 CB 1.840 20 residues pruned to eliminate duplicates Z: 91 67.142 2.276 1.056 0.569 0.900 0.644 CB 1.572 91 residues pruned to eliminate duplicates Z: 39 33.194 2.261 0.906 0.471 0.868 0.579 CB 1.482 39 residues pruned to eliminate duplicates Z: 49 49.222 2.212 0.741 0.676 0.938 0.771 CB 1.673 49 residues pruned to eliminate duplicates Z: 87 46.302 2.104 0.820 0.472 0.930 0.640 CB 1.443 87 residues pruned to eliminate duplicates Z: 71 65.021 2.381 0.843 0.613 0.929 0.700 CB 1.715 71 residues pruned to eliminate duplicates Z: 48 44.182 2.132 0.728 0.626 0.957 0.745 CB 1.623 48 residues pruned to eliminate duplicates Z: 21 23.535 2.295 1.048 0.442 0.850 0.650 CB 1.399 21 residues pruned to eliminate duplicates Z: 69 54.963 2.312 0.949 0.510 0.926 0.632 CB 1.580 69 residues pruned to eliminate duplicates Z: 42 35.436 2.105 0.668 0.603 0.951 0.683 CB 1.503 42 residues pruned to eliminate duplicates Z: 21 55.245 2.372 1.159 0.953 1.000 0.750 CB 1.660 20 residues pruned to eliminate duplicates Z: 21 53.497 2.381 1.034 0.949 1.000 0.800 CB 1.704 21 residues pruned to eliminate duplicates Z: 78 80.279 2.477 1.056 0.612 0.935 0.688 CB 1.727 78 residues pruned to eliminate duplicates Z: 21 51.862 2.488 0.972 0.929 1.000 0.850 CB 1.654 21 residues pruned to eliminate duplicates Z: 14 33.523 2.071 1.304 0.887 0.923 0.769 CB 1.522 14 residues pruned to eliminate duplicates Z: 96 73.655 2.289 0.845 0.625 0.958 0.747 CB 1.660 96 residues pruned to eliminate duplicates Z: 152 108.521 2.444 0.975 0.619 0.947 0.702 CB 1.726 152 residues pruned to eliminate duplicates Z: 17 26.809 2.042 0.565 0.901 1.000 0.812 CB 1.496 17 residues pruned to eliminate duplicates Z: 122 77.624 2.275 0.973 0.570 0.926 0.702 CB 1.587 122 residues pruned to eliminate duplicates Z: 75 75.134 2.447 1.114 0.571 0.919 0.662 CB 1.716 75 residues pruned to eliminate duplicates Z: 19 27.784 1.875 0.784 0.895 1.000 0.778 CB 1.404 17 residues pruned to eliminate duplicates Z: 63 46.308 2.160 0.832 0.542 0.952 0.677 CB 1.499 63 residues pruned to eliminate duplicates Z: 17 24.705 2.039 0.531 0.889 1.000 0.750 CB 1.425 17 residues pruned to eliminate duplicates Z: 26 24.250 1.989 0.914 0.591 0.880 0.680 CB 1.327 26 residues pruned to eliminate duplicates Z: 41 44.411 2.165 0.843 0.676 0.950 0.775 CB 1.575 41 residues pruned to eliminate duplicates Z: 122 74.828 2.279 0.937 0.554 0.926 0.603 CB 1.580 122 residues pruned to eliminate duplicates Z: 148 78.437 2.235 0.904 0.573 0.939 0.707 CB 1.509 148 residues pruned to eliminate duplicates Z: 20 62.520 2.414 1.209 0.959 1.000 1.000 CB 1.843 21 residues pruned to eliminate duplicates Z: 84 78.524 2.390 0.967 0.622 0.952 0.807 CB 1.718 84 residues pruned to eliminate duplicates Z: 25 30.258 2.239 0.687 0.555 0.958 0.792 CB 1.617 25 residues pruned to eliminate duplicates Z: 26 28.992 2.139 0.767 0.534 0.960 0.560 CB 1.546 26 residues pruned to eliminate duplicates Z: 58 62.189 2.444 0.956 0.612 0.895 0.667 CB 1.731 58 residues pruned to eliminate duplicates Z: 156 100.706 2.413 0.893 0.604 0.935 0.684 CB 1.715 156 residues pruned to eliminate duplicates Z: 84 74.671 2.388 0.908 0.599 0.952 0.735 CB 1.720 84 residues pruned to eliminate duplicates Z: 29 19.794 1.997 0.651 0.497 0.929 0.607 CB 1.226 29 residues pruned to eliminate duplicates Z: 42 41.499 2.235 0.787 0.633 0.878 0.659 CB 1.631 42 residues pruned to eliminate duplicates Z: 21 22.963 2.290 0.844 0.340 0.950 0.550 CB 1.524 21 residues pruned to eliminate duplicates Z: 153 106.654 2.430 1.018 0.608 0.921 0.711 CB 1.729 153 residues pruned to eliminate duplicates Z: 21 35.366 2.230 0.514 0.919 1.000 0.950 CB 1.650 21 residues pruned to eliminate duplicates Z: 112 71.433 2.307 0.961 0.542 0.910 0.694 CB 1.581 112 residues pruned to eliminate duplicates Z: 84 69.694 2.333 0.963 0.589 0.916 0.735 CB 1.675 84 residues pruned to eliminate duplicates Z: 80 56.733 2.155 0.970 0.559 0.949 0.696 CB 1.495 80 residues pruned to eliminate duplicates Z: 8 11.750 1.894 0.281 0.771 1.000 0.714 CB 1.440 8 residues pruned to eliminate duplicates Z: 20 21.817 2.301 0.977 0.323 0.895 0.526 CB 1.494 20 residues pruned to eliminate duplicates Z: 155 105.542 2.406 0.946 0.611 0.942 0.708 CB 1.736 155 residues pruned to eliminate duplicates Z: 8 9.043 2.025 0.523 0.737 0.714 0.429 CA 1.255 8 residues pruned to eliminate duplicates Z: 85 76.172 2.348 0.971 0.626 0.940 0.738 CB 1.697 85 residues pruned to eliminate duplicates Z: 87 75.881 2.361 0.938 0.623 0.953 0.721 CB 1.670 87 residues pruned to eliminate duplicates Z: 8 18.798 2.256 0.707 0.559 1.000 0.857 CB 1.742 8 residues pruned to eliminate duplicates Z: 43 37.649 2.149 0.765 0.615 0.881 0.714 CB 1.560 43 residues pruned to eliminate duplicates Z: 86 66.896 2.353 0.954 0.573 0.929 0.706 CB 1.583 86 residues pruned to eliminate duplicates Z: 85 67.704 2.339 0.871 0.573 0.929 0.702 CB 1.695 85 residues pruned to eliminate duplicates Z: 18 19.195 1.920 0.616 0.574 1.000 0.706 CB 1.397 Z: 16 29.903 2.089 0.724 0.914 1.000 0.800 CB 1.516 16 residues pruned to eliminate duplicates Z: 36 34.800 2.108 0.849 0.583 0.943 0.629 CB 1.478 36 residues pruned to eliminate duplicates Z: 17 28.995 2.040 0.690 0.899 1.000 0.688 CB 1.503 17 residues pruned to eliminate duplicates Z: 66 54.246 2.247 0.909 0.588 0.923 0.677 CB 1.561 66 residues pruned to eliminate duplicates Z: 21 54.460 2.457 1.122 0.891 0.950 0.800 CB 1.768 21 residues pruned to eliminate duplicates Z: 22 65.013 2.559 1.333 0.891 0.952 0.667 CB 1.794 22 residues pruned to eliminate duplicates Z: 152 104.569 2.439 0.936 0.600 0.947 0.702 CB 1.730 152 residues pruned to eliminate duplicates Z: 21 35.311 2.222 0.519 0.919 1.000 0.950 CB 1.647 21 residues pruned to eliminate duplicates Z: 22 25.871 2.129 0.215 0.909 1.000 0.905 CB 1.549 22 residues pruned to eliminate duplicates Z: 122 80.999 2.292 1.042 0.561 0.926 0.653 CB 1.601 122 residues pruned to eliminate duplicates Z: 16 32.004 2.086 0.859 0.910 1.000 0.800 CB 1.511 18 residues pruned to eliminate duplicates Z: 22 44.585 2.549 0.766 0.891 0.952 0.857 CB 1.632 22 residues pruned to eliminate duplicates Z: 56 78.320 2.527 1.059 0.681 0.964 0.818 CB 1.784 56 residues pruned to eliminate duplicates Z: 54 45.820 2.185 0.889 0.549 0.943 0.642 CB 1.540 54 residues pruned to eliminate duplicates Z: 21 29.385 2.216 0.284 0.922 1.000 1.000 CB 1.623 21 residues pruned to eliminate duplicates Z: 58 47.493 2.278 0.938 0.491 0.912 0.667 CB 1.577 58 residues pruned to eliminate duplicates Z: 6 7.485 1.899 0.147 0.793 0.800 0.600 CA 1.486 6 residues pruned to eliminate duplicates Z: 56 66.079 2.458 0.897 0.649 0.945 0.727 CB 1.758 56 residues pruned to eliminate duplicates Z: 6 7.890 1.877 0.003 0.766 1.000 0.600 N 1.481 6 residues pruned to eliminate duplicates Z: 152 105.034 2.432 0.946 0.607 0.940 0.722 CB 1.735 152 residues pruned to eliminate duplicates Z: 59 51.099 2.308 1.042 0.506 0.914 0.707 CB 1.549 59 residues pruned to eliminate duplicates Z: 34 26.435 1.987 0.764 0.538 0.909 0.697 CB 1.391 34 residues pruned to eliminate duplicates Z: 69 66.985 2.483 0.868 0.582 0.912 0.647 CB 1.775 69 residues pruned to eliminate duplicates Z: 25 33.659 2.193 0.914 0.533 0.958 0.625 CB 1.654 25 residues pruned to eliminate duplicates Z: 21 66.456 2.505 1.419 0.959 1.000 0.950 CB 1.681 21 residues pruned to eliminate duplicates Z: 11 15.379 2.215 0.762 0.395 0.900 0.600 CB 1.548 11 residues pruned to eliminate duplicates Z: 110 89.904 2.472 1.083 0.575 0.927 0.697 CB 1.679 110 residues pruned to eliminate duplicates Z: 62 42.326 2.145 0.769 0.562 0.934 0.705 CB 1.439 62 residues pruned to eliminate duplicates Z: 28 33.268 2.072 1.013 0.573 0.963 0.741 CB 1.485 28 residues pruned to eliminate duplicates Z: 85 70.641 2.353 0.864 0.623 0.940 0.738 CB 1.663 85 residues pruned to eliminate duplicates Z: 60 66.383 2.477 0.877 0.630 0.949 0.746 CB 1.734 60 residues pruned to eliminate duplicates Z: 8 19.445 1.907 0.948 0.851 1.000 0.714 CA 1.464 8 residues pruned to eliminate duplicates Z: 6 8.401 1.858 0.675 0.582 0.800 0.200 O 1.395 6 residues pruned to eliminate duplicates Z: 48 50.635 2.259 0.695 0.690 0.936 0.809 CB 1.732 48 residues pruned to eliminate duplicates Z: 157 109.965 2.389 0.955 0.628 0.968 0.724 CB 1.726 157 residues pruned to eliminate duplicates Z: 87 71.439 2.321 0.911 0.626 0.930 0.733 CB 1.658 87 residues pruned to eliminate duplicates Z: 26 33.331 2.202 0.832 0.543 0.960 0.680 CB 1.651 26 residues pruned to eliminate duplicates Z: 86 72.162 2.340 0.918 0.638 0.929 0.776 CB 1.649 86 residues pruned to eliminate duplicates Z: 7 12.742 2.050 0.509 0.840 0.833 0.833 CB 1.505 7 residues pruned to eliminate duplicates Z: 30 35.554 2.222 0.514 0.718 1.000 0.828 CB 1.611 25 residues pruned to eliminate duplicates Z: 64 45.270 2.138 0.930 0.547 0.905 0.651 CB 1.460 64 residues pruned to eliminate duplicates Z: 16 26.403 2.034 0.645 0.917 0.933 0.667 CB 1.541 16 residues pruned to eliminate duplicates Z: 18 27.495 2.115 1.023 0.579 0.882 0.765 CA 1.637 18 residues pruned to eliminate duplicates Z: 46 47.915 2.285 0.601 0.693 0.956 0.822 CB 1.713 46 residues pruned to eliminate duplicates Z: 11 31.319 2.150 1.038 0.889 1.000 0.900 CA 1.627 11 residues pruned to eliminate duplicates Z: 64 41.879 2.119 0.785 0.534 0.952 0.698 CB 1.416 64 residues pruned to eliminate duplicates Z: 67 72.844 2.502 0.985 0.583 0.939 0.652 CB 1.776 67 residues pruned to eliminate duplicates Z: 48 39.651 2.111 0.730 0.618 0.894 0.723 CB 1.586 48 residues pruned to eliminate duplicates Z: 24 35.560 2.319 0.859 0.524 0.957 0.652 CB 1.756 24 residues pruned to eliminate duplicates Z: 206 105.711 2.350 0.958 0.554 0.927 0.644 CB 1.642 206 residues pruned to eliminate duplicates Z: 19 26.128 2.297 0.662 0.555 0.889 0.778 CB 1.720 19 residues pruned to eliminate duplicates Z: 25 31.752 2.233 0.792 0.538 0.958 0.625 CB 1.628 25 residues pruned to eliminate duplicates Z: 22 33.802 2.162 0.533 0.917 1.000 0.905 CB 1.570 22 residues pruned to eliminate duplicates Z: 19 24.562 1.890 0.502 0.894 1.000 0.667 CB 1.463 19 residues pruned to eliminate duplicates Z: 85 80.625 2.369 0.992 0.646 0.952 0.762 CB 1.709 85 residues pruned to eliminate duplicates Z: 152 108.144 2.434 0.920 0.624 0.960 0.702 CB 1.745 152 residues pruned to eliminate duplicates Z: 94 65.673 2.302 0.960 0.544 0.925 0.645 CB 1.564 94 residues pruned to eliminate duplicates Z: 22 29.733 2.128 0.343 0.890 1.000 0.857 CB 1.634 22 residues pruned to eliminate duplicates Z: 110 87.679 2.449 1.070 0.574 0.927 0.651 CB 1.664 110 residues pruned to eliminate duplicates Z: 71 68.374 2.419 0.919 0.590 0.957 0.614 CB 1.687 71 residues pruned to eliminate duplicates Z: 31 21.830 2.010 0.724 0.412 0.833 0.467 CB 1.513 31 residues pruned to eliminate duplicates Z: 21 58.777 2.365 1.239 0.950 1.000 0.750 CB 1.711 21 residues pruned to eliminate duplicates Z: 19 17.089 1.846 0.572 0.578 0.944 0.611 CB 1.363 19 residues pruned to eliminate duplicates Z: 14 9.072 1.607 0.504 0.769 0.769 0.385 CB 1.066 Z: 17 21.969 2.019 0.423 0.892 1.000 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 14 29.169 1.993 1.080 0.811 0.923 0.846 CB 1.612 14 residues pruned to eliminate duplicates Z: 24 33.203 2.172 0.820 0.589 1.000 0.565 CB 1.608 24 residues pruned to eliminate duplicates Z: 50 38.659 2.210 0.816 0.499 0.918 0.592 CB 1.500 50 residues pruned to eliminate duplicates Z: 66 42.306 2.099 0.858 0.553 0.923 0.723 CB 1.385 66 residues pruned to eliminate duplicates Z: 19 16.030 1.831 0.492 0.566 0.944 0.667 CB 1.373 19 residues pruned to eliminate duplicates Z: 21 32.107 2.206 0.448 0.919 1.000 0.950 CB 1.584 21 residues pruned to eliminate duplicates Z: 16 26.272 2.067 0.546 0.903 1.000 1.000 CB 1.513 16 residues pruned to eliminate duplicates Z: 62 45.466 2.153 0.923 0.535 0.951 0.623 CB 1.429 62 residues pruned to eliminate duplicates Z: 8 8.704 1.996 0.678 0.460 0.714 0.571 CB 1.433 8 residues pruned to eliminate duplicates Z: 149 86.234 2.288 0.912 0.578 0.939 0.689 CB 1.600 149 residues pruned to eliminate duplicates Z: 157 100.777 2.389 1.022 0.588 0.917 0.660 CB 1.675 157 residues pruned to eliminate duplicates Z: 27 28.843 2.108 0.868 0.515 0.923 0.577 CB 1.533 27 residues pruned to eliminate duplicates Z: 123 78.038 2.293 0.848 0.602 0.943 0.730 CB 1.605 123 residues pruned to eliminate duplicates Z: 64 45.440 2.148 0.879 0.551 0.921 0.714 CB 1.466 64 residues pruned to eliminate duplicates Z: 68 74.464 2.387 0.948 0.654 0.955 0.791 CB 1.774 68 residues pruned to eliminate duplicates Z: 28 34.001 2.154 0.536 0.742 0.963 0.815 CB 1.654 28 residues pruned to eliminate duplicates Z: 82 50.885 2.154 0.815 0.527 0.938 0.617 CB 1.501 82 residues pruned to eliminate duplicates Z: 7 3.088 1.773 -0.082 0.529 0.833 0.667 CB 0.903 Z: 18 16.691 1.911 0.493 0.590 0.941 0.765 CB 1.383 18 residues pruned to eliminate duplicates Z: 22 55.459 2.539 0.937 0.944 1.000 0.857 CB 1.705 22 residues pruned to eliminate duplicates Z: 7 5.327 1.489 0.151 0.854 1.000 0.667 C 0.937 7 residues pruned to eliminate duplicates Z: 108 94.172 2.500 1.078 0.585 0.944 0.710 CB 1.711 108 residues pruned to eliminate duplicates Z: 22 18.569 1.986 0.640 0.651 0.857 0.619 CB 1.261 22 residues pruned to eliminate duplicates Z: 31 35.171 2.147 0.967 0.540 0.933 0.733 CB 1.566 31 residues pruned to eliminate duplicates Z: 64 37.491 2.083 0.866 0.516 0.857 0.651 CB 1.396 64 residues pruned to eliminate duplicates Z: 28 35.101 2.173 0.528 0.758 1.000 0.815 CB 1.617 28 residues pruned to eliminate duplicates Z: 8 18.925 1.902 0.995 0.859 1.000 0.714 CA 1.387 8 residues pruned to eliminate duplicates Z: 53 44.732 2.332 0.948 0.494 0.904 0.673 CB 1.520 53 residues pruned to eliminate duplicates Z: 17 31.236 2.287 1.151 0.594 0.875 0.688 CB 1.658 17 residues pruned to eliminate duplicates Z: 128 100.761 2.450 0.935 0.631 0.945 0.756 CB 1.765 128 residues pruned to eliminate duplicates Z: 35 50.925 2.280 1.104 0.621 0.971 0.853 CB 1.673 35 residues pruned to eliminate duplicates Z: 64 44.839 2.150 0.912 0.549 0.921 0.635 CB 1.423 64 residues pruned to eliminate duplicates Z: 24 23.651 2.288 0.960 0.401 0.826 0.522 CB 1.478 24 residues pruned to eliminate duplicates Z: 22 31.173 2.139 0.504 0.894 1.000 0.952 CB 1.517 22 residues pruned to eliminate duplicates Z: 7 11.785 1.783 0.443 0.840 1.000 0.500 CB 1.396 7 residues pruned to eliminate duplicates Z: 106 66.784 2.205 0.843 0.604 0.952 0.667 CB 1.525 107 residues pruned to eliminate duplicates Z: 83 45.488 2.129 0.770 0.489 0.927 0.573 CB 1.454 83 residues pruned to eliminate duplicates Z: 58 44.690 2.298 0.834 0.492 0.912 0.684 CB 1.552 58 residues pruned to eliminate duplicates Z: 65 80.227 2.481 1.174 0.618 0.938 0.719 CB 1.773 65 residues pruned to eliminate duplicates Z: 40 38.680 2.217 0.952 0.517 0.897 0.718 CB 1.568 40 residues pruned to eliminate duplicates Z: 52 38.472 2.203 0.891 0.545 0.843 0.706 CB 1.467 52 residues pruned to eliminate duplicates Z: 55 43.022 2.121 0.918 0.593 0.907 0.741 CB 1.451 55 residues pruned to eliminate duplicates Z: 13 18.494 2.115 0.716 0.653 0.917 0.750 CB 1.392 13 residues pruned to eliminate duplicates Z: 109 77.153 2.326 0.937 0.582 0.954 0.713 CB 1.598 109 residues pruned to eliminate duplicates Z: 129 88.025 2.374 0.867 0.628 0.945 0.703 CB 1.647 129 residues pruned to eliminate duplicates Z: 15 16.149 1.707 0.590 0.888 1.000 0.786 CB 1.145 14 residues pruned to eliminate duplicates Z: 51 40.936 2.112 0.884 0.564 0.940 0.720 CB 1.455 51 residues pruned to eliminate duplicates Z: 81 50.017 2.152 0.814 0.523 0.925 0.613 CB 1.514 81 residues pruned to eliminate duplicates Z: 46 39.387 2.169 0.977 0.521 0.889 0.711 CB 1.507 46 residues pruned to eliminate duplicates Z: 68 81.723 2.516 1.048 0.620 0.955 0.672 CB 1.810 68 residues pruned to eliminate duplicates Z: 16 27.841 2.109 0.597 0.903 1.000 0.933 CB 1.521 16 residues pruned to eliminate duplicates Z: 8 7.396 1.850 0.481 0.522 0.857 0.714 CB 1.165 8 residues pruned to eliminate duplicates Z: 17 13.993 1.561 0.569 0.869 1.000 0.812 CB 1.043 15 residues pruned to eliminate duplicates Z: 73 69.138 2.341 0.938 0.618 0.944 0.736 CB 1.701 73 residues pruned to eliminate duplicates Z: 11 30.113 2.211 0.826 0.934 1.000 0.900 CB 1.645 11 residues pruned to eliminate duplicates Z: 69 57.323 2.307 0.962 0.518 0.941 0.721 CB 1.603 69 residues pruned to eliminate duplicates Z: 38 58.203 2.539 0.967 0.646 0.919 0.811 CB 1.820 38 residues pruned to eliminate duplicates Z: 8 4.622 1.540 -0.182 0.567 1.000 0.857 C 1.300 Z: 22 53.073 2.314 1.186 0.946 1.000 0.762 CB 1.583 22 residues pruned to eliminate duplicates Z: 10 8.199 1.795 0.681 0.594 0.889 0.444 CB 0.931 Z: 119 80.600 2.313 1.035 0.572 0.924 0.661 CB 1.592 119 residues pruned to eliminate duplicates Z: 16 14.278 1.635 0.518 0.872 1.000 0.800 CB 1.083 16 residues pruned to eliminate duplicates Z: 112 76.607 2.296 0.974 0.567 0.946 0.667 CB 1.589 112 residues pruned to eliminate duplicates Z: 28 32.756 2.118 0.628 0.685 0.963 0.778 CB 1.602 28 residues pruned to eliminate duplicates Z: 14 18.668 2.014 0.848 0.645 0.846 0.769 CB 1.436 14 residues pruned to eliminate duplicates Z: 122 78.901 2.289 0.963 0.573 0.934 0.686 CB 1.593 122 residues pruned to eliminate duplicates Z: 33 30.913 2.088 0.859 0.632 0.938 0.688 CB 1.326 33 residues pruned to eliminate duplicates Z: 22 35.833 2.199 0.495 0.900 1.000 0.905 CB 1.700 22 residues pruned to eliminate duplicates Z: 11 23.081 2.195 0.925 0.651 0.900 0.700 CB 1.668 11 residues pruned to eliminate duplicates Z: 22 33.208 2.139 0.508 0.934 1.000 0.810 CB 1.566 22 residues pruned to eliminate duplicates Z: 22 32.661 2.153 0.572 0.919 0.952 0.905 CB 1.559 22 residues pruned to eliminate duplicates Z: 7 3.066 1.913 -0.249 0.613 0.667 0.500 CB 1.174 Z: 58 68.731 2.537 0.981 0.629 0.930 0.737 CB 1.726 58 residues pruned to eliminate duplicates Z: 13 9.225 1.808 0.427 0.507 0.833 0.583 CB 1.231 13 residues pruned to eliminate duplicates Z: 42 38.298 2.131 0.652 0.631 0.951 0.732 CB 1.579 41 residues pruned to eliminate duplicates Z: 14 8.569 1.766 0.770 0.579 0.923 0.769 CB 0.763 Z: 152 107.910 2.430 0.994 0.613 0.934 0.728 CB 1.745 152 residues pruned to eliminate duplicates Z: 101 74.025 2.335 0.957 0.575 0.950 0.640 CB 1.586 101 residues pruned to eliminate duplicates Z: 61 53.370 2.309 1.053 0.508 0.900 0.567 CB 1.601 68 residues pruned to eliminate duplicates Z: 53 37.368 2.125 0.790 0.497 0.962 0.654 CB 1.421 53 residues pruned to eliminate duplicates Z: 25 35.058 2.286 0.927 0.545 0.917 0.625 CB 1.696 25 residues pruned to eliminate duplicates Z: 29 57.638 2.607 0.836 0.784 0.964 0.750 CB 1.839 29 residues pruned to eliminate duplicates Z: 13 23.548 2.206 1.032 0.533 0.917 0.667 CB 1.602 13 residues pruned to eliminate duplicates Z: 10 5.359 1.730 0.031 0.523 1.000 0.556 CB 0.979 Z: 15 12.984 1.654 0.404 0.892 1.000 0.786 CB 1.073 15 residues pruned to eliminate duplicates Z: 51 53.403 2.411 0.955 0.549 0.900 0.600 CB 1.697 51 residues pruned to eliminate duplicates Z: 18 28.372 2.013 0.658 0.853 1.000 0.941 CB 1.524 18 residues pruned to eliminate duplicates Z: 8 17.024 1.956 1.128 0.746 0.857 0.429 CB 1.448 8 residues pruned to eliminate duplicates Z: 6 4.325 1.339 1.129 0.762 1.000 0.600 N 0.537 6 residues pruned to eliminate duplicates Z: 9 4.026 1.563 0.044 0.538 1.000 0.500 CB 0.841 8 residues pruned to eliminate duplicates Z: 8 8.140 2.058 0.709 0.449 0.857 0.429 CB 1.076 8 residues pruned to eliminate duplicates Z: 36 37.716 2.270 0.994 0.480 0.886 0.571 CB 1.623 36 residues pruned to eliminate duplicates Z: 66 41.583 2.093 0.860 0.484 0.954 0.646 CB 1.411 66 residues pruned to eliminate duplicates Z: 145 84.049 2.300 0.824 0.585 0.944 0.674 CB 1.630 145 residues pruned to eliminate duplicates Z: 28 36.642 2.129 0.590 0.765 1.000 0.815 CB 1.646 28 residues pruned to eliminate duplicates Z: 45 48.752 2.351 1.080 0.546 0.909 0.705 CB 1.580 45 residues pruned to eliminate duplicates Z: 82 62.792 2.281 0.864 0.563 0.901 0.691 CB 1.713 82 residues pruned to eliminate duplicates Z: 83 66.723 2.299 0.946 0.608 0.939 0.732 CB 1.583 83 residues pruned to eliminate duplicates Z: 24 35.340 2.065 0.641 0.913 1.000 0.739 CB 1.538 24 residues pruned to eliminate duplicates Z: 66 58.996 2.314 0.944 0.592 0.938 0.631 CB 1.587 66 residues pruned to eliminate duplicates Z: 16 14.311 1.612 0.433 0.922 1.000 0.600 CB 1.124 16 residues pruned to eliminate duplicates Z: 28 34.584 2.184 0.618 0.694 0.963 0.815 CB 1.638 29 residues pruned to eliminate duplicates Z: 15 25.613 2.070 0.557 0.880 1.000 0.786 CB 1.540 15 residues pruned to eliminate duplicates Z: 12 17.290 2.106 0.552 0.579 1.000 0.818 CB 1.478 12 residues pruned to eliminate duplicates Z: 22 48.751 2.514 0.720 0.930 1.000 0.905 CB 1.721 22 residues pruned to eliminate duplicates Z: 7 7.013 1.660 0.246 0.645 1.000 0.667 CA 1.209 7 residues pruned to eliminate duplicates Z: 121 78.677 2.308 0.932 0.567 0.950 0.675 CB 1.590 121 residues pruned to eliminate duplicates Z: 8 4.336 1.522 0.761 0.729 0.857 0.857 CB 0.580 Z: 63 41.915 2.128 0.829 0.561 0.919 0.677 CB 1.403 63 residues pruned to eliminate duplicates Z: 23 11.642 1.660 0.396 0.478 0.955 0.545 CB 1.148 19 residues pruned to eliminate duplicates Z: 35 57.866 2.449 1.024 0.724 0.941 0.676 CB 1.739 35 residues pruned to eliminate duplicates Z: 6 9.755 1.721 0.512 0.785 1.000 0.800 CB 1.304 6 residues pruned to eliminate duplicates Z: 19 24.176 1.879 0.546 0.838 1.000 0.722 CB 1.466 19 residues pruned to eliminate duplicates Z: 15 13.049 1.685 0.496 0.872 0.929 0.714 CB 1.086 15 residues pruned to eliminate duplicates Z: 12 17.783 2.081 0.740 0.558 0.909 0.636 CB 1.539 12 residues pruned to eliminate duplicates Z: 6 6.848 1.690 0.197 0.765 1.000 0.800 CB 1.197 6 residues pruned to eliminate duplicates Z: 31 38.968 2.241 1.160 0.571 0.900 0.700 CB 1.525 31 residues pruned to eliminate duplicates Z: 27 19.835 1.988 0.713 0.530 0.885 0.615 CB 1.253 27 residues pruned to eliminate duplicates Z: 151 87.254 2.267 0.918 0.595 0.940 0.720 CB 1.593 151 residues pruned to eliminate duplicates Z: 48 49.983 2.235 0.998 0.618 0.957 0.723 CB 1.525 48 residues pruned to eliminate duplicates Z: 16 24.412 2.078 0.501 0.893 1.000 1.000 CB 1.451 16 residues pruned to eliminate duplicates Z: 22 36.017 2.143 0.687 0.920 1.000 0.810 CB 1.530 22 residues pruned to eliminate duplicates Z: 112 69.096 2.296 0.796 0.584 0.919 0.676 CB 1.598 112 residues pruned to eliminate duplicates Z: 59 60.951 2.301 0.938 0.659 0.966 0.707 CB 1.603 59 residues pruned to eliminate duplicates Z: 21 61.298 2.634 1.070 0.940 1.000 0.800 CB 1.746 21 residues pruned to eliminate duplicates Z: 23 35.423 2.170 0.509 0.877 0.955 0.955 CB 1.755 23 residues pruned to eliminate duplicates Z: 153 93.258 2.376 0.881 0.608 0.921 0.704 CB 1.659 153 residues pruned to eliminate duplicates Z: 25 21.991 2.052 0.754 0.561 0.958 0.625 CB 1.226 25 residues pruned to eliminate duplicates Z: 19 17.199 1.861 0.596 0.572 0.944 0.556 CB 1.348 23 residues pruned to eliminate duplicates Z: 14 13.026 1.729 0.323 0.892 1.000 0.538 CB 1.135 14 residues pruned to eliminate duplicates Z: 18 17.258 1.849 0.438 0.677 0.941 0.706 CB 1.422 18 residues pruned to eliminate duplicates Z: 22 66.598 2.517 1.423 0.947 0.952 0.714 CB 1.729 22 residues pruned to eliminate duplicates Z: 42 34.825 2.109 0.841 0.497 0.927 0.732 CB 1.515 42 residues pruned to eliminate duplicates Z: 9 13.420 2.028 0.667 0.357 1.000 0.625 C 1.639 9 residues pruned to eliminate duplicates Z: 6 4.332 1.791 -0.010 0.431 1.000 0.400 CB 1.173 6 residues pruned to eliminate duplicates Z: 9 3.768 1.518 0.176 0.393 0.875 0.500 CB 0.955 Z: 43 39.240 2.123 0.684 0.632 0.952 0.738 CB 1.570 43 residues pruned to eliminate duplicates Z: 15 21.104 2.237 0.623 0.520 0.929 0.643 CB 1.641 15 residues pruned to eliminate duplicates Z: 16 14.511 1.617 0.428 0.889 1.000 0.867 CB 1.168 16 residues pruned to eliminate duplicates Z: 26 35.220 2.199 0.929 0.562 0.960 0.600 CB 1.628 26 residues pruned to eliminate duplicates Z: 150 104.042 2.442 0.964 0.612 0.933 0.745 CB 1.713 150 residues pruned to eliminate duplicates Z: 18 34.036 2.349 0.892 0.578 1.000 0.647 CB 1.722 18 residues pruned to eliminate duplicates Z: 50 51.365 2.223 0.682 0.678 0.959 0.796 CB 1.736 50 residues pruned to eliminate duplicates Z: 64 43.174 2.145 0.896 0.543 0.905 0.698 CB 1.417 64 residues pruned to eliminate duplicates Z: 9 7.612 1.852 0.576 0.648 1.000 1.000 CB 0.803 Z: 26 36.627 2.227 0.994 0.575 0.960 0.720 CB 1.599 26 residues pruned to eliminate duplicates Z: 41 26.105 2.021 0.630 0.426 0.900 0.550 CB 1.504 41 residues pruned to eliminate duplicates Z: 9 10.577 2.005 0.280 0.644 1.000 1.000 CB 1.274 9 residues pruned to eliminate duplicates Z: 7 2.431 1.408 0.639 0.236 0.667 0.333 CB 0.876 7 residues pruned to eliminate duplicates Z: 29 25.724 2.124 0.791 0.480 0.893 0.714 CB 1.461 29 residues pruned to eliminate duplicates Z: 36 38.200 2.389 1.020 0.557 0.829 0.686 CB 1.528 36 residues pruned to eliminate duplicates Z: 10 10.885 1.621 0.767 0.763 0.889 0.333 CA 1.129 10 residues pruned to eliminate duplicates Z: 84 66.946 2.299 0.999 0.601 0.928 0.699 CB 1.565 84 residues pruned to eliminate duplicates Z: 9 4.386 1.538 0.514 0.477 0.750 0.625 CB 0.908 18 residues pruned to eliminate duplicates Z: 41 30.457 2.093 0.848 0.510 0.900 0.625 CB 1.371 41 residues pruned to eliminate duplicates Z: 18 17.805 1.934 0.530 0.553 1.000 0.647 CB 1.386 18 residues pruned to eliminate duplicates Z: 18 20.308 1.901 0.565 0.665 1.000 0.765 CB 1.422 18 residues pruned to eliminate duplicates Z: 6 11.887 1.852 0.645 0.706 1.000 0.800 CB 1.447 6 residues pruned to eliminate duplicates Z: 46 50.837 2.213 0.693 0.718 0.956 0.800 CB 1.738 46 residues pruned to eliminate duplicates Z: 10 5.624 1.794 0.479 0.243 0.778 0.778 CB 1.223 10 residues pruned to eliminate duplicates Z: 6 6.109 1.754 -0.067 0.817 1.000 1.000 O 1.267 Z: 6 8.704 1.536 0.491 0.821 1.000 0.800 CB 1.286 6 residues pruned to eliminate duplicates Z: 13 21.002 2.113 1.088 0.644 0.917 0.833 CB 1.311 13 residues pruned to eliminate duplicates Z: 23 26.991 2.187 1.024 0.490 0.864 0.682 CB 1.520 23 residues pruned to eliminate duplicates Z: 17 14.580 1.610 0.456 0.904 1.000 0.875 CB 1.107 17 residues pruned to eliminate duplicates Z: 23 56.551 2.563 0.953 0.892 0.955 0.773 CB 1.813 23 residues pruned to eliminate duplicates Z: 46 36.009 2.077 0.842 0.597 0.911 0.689 CB 1.403 46 residues pruned to eliminate duplicates Z: 22 34.363 2.067 0.831 0.769 1.000 0.857 CB 1.562 22 residues pruned to eliminate duplicates Z: 44 65.587 2.485 1.175 0.651 0.930 0.651 CB 1.727 44 residues pruned to eliminate duplicates Z: 39 31.730 2.149 0.847 0.496 0.895 0.658 CB 1.454 39 residues pruned to eliminate duplicates Z: 11 17.382 2.142 0.658 0.580 0.900 0.800 CA 1.591 11 residues pruned to eliminate duplicates Z: 99 65.437 2.243 0.854 0.556 0.949 0.653 CB 1.586 99 residues pruned to eliminate duplicates Z: 27 25.313 2.063 0.755 0.500 0.962 0.577 CB 1.425 27 residues pruned to eliminate duplicates Z: 11 9.988 1.852 0.383 0.623 1.000 0.900 CB 1.098 11 residues pruned to eliminate duplicates Z: 9 11.456 1.638 0.779 0.586 1.000 0.875 N 1.280 9 residues pruned to eliminate duplicates Z: 18 19.038 1.843 0.410 0.861 1.000 0.647 CB 1.306 18 residues pruned to eliminate duplicates Z: 8 4.782 1.424 0.179 0.828 1.000 0.571 CA 0.811 8 residues pruned to eliminate duplicates Z: 102 69.313 2.313 0.901 0.570 0.921 0.653 CB 1.593 102 residues pruned to eliminate duplicates Z: 10 3.538 1.488 0.007 0.581 1.000 0.778 CB 0.728 10 residues pruned to eliminate duplicates Z: 31 38.342 2.240 1.032 0.568 0.933 0.667 CB 1.544 31 residues pruned to eliminate duplicates Z: 40 31.321 2.087 0.912 0.530 0.923 0.692 CB 1.322 40 residues pruned to eliminate duplicates Z: 73 74.863 2.439 1.097 0.556 0.931 0.681 CB 1.755 73 residues pruned to eliminate duplicates Z: 15 18.315 2.081 0.951 0.560 0.857 0.714 CB 1.327 15 residues pruned to eliminate duplicates Z: 9 18.641 2.226 0.711 0.543 1.000 0.750 CA 1.659 9 residues pruned to eliminate duplicates Z: 27 28.329 2.192 0.695 0.510 0.962 0.731 CB 1.539 27 residues pruned to eliminate duplicates Z: 15 11.467 1.648 0.188 0.859 1.000 0.643 CB 1.152 15 residues pruned to eliminate duplicates Z: 36 39.522 2.299 0.932 0.492 0.943 0.686 CB 1.608 36 residues pruned to eliminate duplicates Z: 23 27.148 2.085 0.828 0.643 0.955 0.636 CB 1.391 23 residues pruned to eliminate duplicates Z: 59 51.762 2.365 0.818 0.595 0.914 0.638 CB 1.580 59 residues pruned to eliminate duplicates Z: 26 29.609 2.167 0.763 0.526 0.960 0.600 CB 1.574 26 residues pruned to eliminate duplicates Z: 21 36.002 2.350 0.843 0.587 0.950 0.700 CB 1.800 21 residues pruned to eliminate duplicates Z: 47 40.610 2.147 0.723 0.592 0.957 0.674 CB 1.550 47 residues pruned to eliminate duplicates Z: 55 56.860 2.260 0.925 0.667 0.963 0.648 CB 1.583 55 residues pruned to eliminate duplicates Z: 13 16.332 1.942 0.671 0.683 1.000 0.833 CB 1.228 13 residues pruned to eliminate duplicates Z: 6 3.540 1.694 -0.112 0.643 1.000 0.600 CB 0.921 7 residues pruned to eliminate duplicates Z: 7 3.953 1.568 0.135 0.744 1.000 0.833 CB 0.729 6 residues pruned to eliminate duplicates 7 1.588 1.584 0.090 0.342 0.667 0.500 CB 0.668 ? Using tripeptides from previous cycle as seeds Z: 7 6.773 1.898 -0.002 0.625 1.000 0.667 CB 1.297 7 residues pruned to eliminate duplicates Z: 18 17.639 1.946 0.517 0.592 0.941 0.706 CB 1.411 18 residues pruned to eliminate duplicates Z: 25 14.797 1.793 0.398 0.592 0.917 0.583 CB 1.203 25 residues pruned to eliminate duplicates Z: 44 27.613 1.971 0.819 0.511 0.860 0.628 CB 1.350 50 residues pruned to eliminate duplicates Z: 6 9.999 1.711 0.720 0.678 1.000 0.400 CA 1.290 6 residues pruned to eliminate duplicates Z: 19 17.884 1.893 0.560 0.593 0.944 0.667 CB 1.383 19 residues pruned to eliminate duplicates Z: 18 18.516 1.933 0.611 0.592 0.941 0.706 CB 1.403 18 residues pruned to eliminate duplicates Z: 18 17.600 1.923 0.587 0.571 0.941 0.647 CB 1.388 18 residues pruned to eliminate duplicates Z: 18 18.455 1.933 0.601 0.585 0.941 0.647 CB 1.416 18 residues pruned to eliminate duplicates Z: 18 17.533 1.927 0.492 0.610 0.941 0.647 CB 1.416 18 residues pruned to eliminate duplicates Z: 25 15.583 1.816 0.550 0.448 0.917 0.458 CB 1.301 25 residues pruned to eliminate duplicates Z: 18 18.400 1.937 0.583 0.606 0.941 0.706 CB 1.399 18 residues pruned to eliminate duplicates Z: 19 17.040 1.877 0.647 0.545 0.889 0.667 CB 1.398 19 residues pruned to eliminate duplicates Z: 7 7.885 1.687 0.647 0.517 0.833 0.500 CA 1.367 7 residues pruned to eliminate duplicates Z: 25 15.071 1.746 0.587 0.522 0.875 0.625 CB 1.241 25 residues pruned to eliminate duplicates Z: 84 77.040 2.479 0.929 0.591 0.928 0.663 CB 1.748 84 residues pruned to eliminate duplicates Z: 68 73.575 2.509 0.865 0.611 0.955 0.657 CB 1.809 68 residues pruned to eliminate duplicates Z: 111 91.405 2.464 1.048 0.590 0.936 0.673 CB 1.692 111 residues pruned to eliminate duplicates Z: 70 70.582 2.480 0.879 0.599 0.928 0.667 CB 1.789 70 residues pruned to eliminate duplicates Z: 67 75.359 2.525 0.886 0.612 0.970 0.636 CB 1.806 67 residues pruned to eliminate duplicates Z: 28 36.123 2.273 0.882 0.512 0.963 0.519 CB 1.668 28 residues pruned to eliminate duplicates Z: 107 90.974 2.489 0.977 0.590 0.953 0.679 CB 1.729 107 residues pruned to eliminate duplicates Z: 8 15.749 2.177 0.871 0.548 1.000 0.143 CA 1.395 8 residues pruned to eliminate duplicates Z: 152 105.692 2.431 0.894 0.622 0.954 0.735 CB 1.746 152 residues pruned to eliminate duplicates Z: 151 96.365 2.426 0.854 0.592 0.933 0.713 CB 1.715 151 residues pruned to eliminate duplicates Z: 68 75.013 2.515 0.886 0.624 0.955 0.687 CB 1.798 68 residues pruned to eliminate duplicates Z: 153 108.578 2.439 0.972 0.621 0.941 0.711 CB 1.737 153 residues pruned to eliminate duplicates Z: 153 106.044 2.425 0.936 0.618 0.947 0.711 CB 1.730 153 residues pruned to eliminate duplicates Z: 81 77.701 2.467 1.036 0.576 0.925 0.675 CB 1.737 81 residues pruned to eliminate duplicates Z: 100 84.440 2.450 0.977 0.574 0.939 0.687 CB 1.736 100 residues pruned to eliminate duplicates Z: 152 108.147 2.434 0.929 0.610 0.960 0.689 CB 1.758 152 residues pruned to eliminate duplicates Z: 66 76.698 2.525 0.952 0.614 0.954 0.677 CB 1.817 66 residues pruned to eliminate duplicates Z: 154 106.728 2.421 0.933 0.626 0.948 0.752 CB 1.728 154 residues pruned to eliminate duplicates Z: 6 10.998 2.140 0.623 0.466 1.000 0.800 CA 1.466 6 residues pruned to eliminate duplicates Z: 69 70.600 2.479 0.884 0.594 0.941 0.765 CB 1.781 69 residues pruned to eliminate duplicates Z: 69 73.605 2.490 0.895 0.612 0.956 0.662 CB 1.780 69 residues pruned to eliminate duplicates Z: 100 90.495 2.486 1.038 0.587 0.939 0.687 CB 1.758 100 residues pruned to eliminate duplicates Z: 7 7.162 1.973 0.729 0.330 0.833 0.667 CA 1.240 7 residues pruned to eliminate duplicates Z: 152 103.298 2.447 0.928 0.603 0.934 0.682 CB 1.730 152 residues pruned to eliminate duplicates Z: 128 102.704 2.464 0.927 0.636 0.945 0.740 CB 1.788 128 residues pruned to eliminate duplicates Z: 69 65.879 2.498 0.829 0.591 0.897 0.632 CB 1.787 69 residues pruned to eliminate duplicates Z: 82 75.606 2.498 0.937 0.563 0.938 0.617 CB 1.741 82 residues pruned to eliminate duplicates Z: 67 73.591 2.498 0.963 0.599 0.939 0.682 CB 1.789 67 residues pruned to eliminate duplicates Z: 69 73.522 2.483 0.916 0.596 0.956 0.632 CB 1.788 69 residues pruned to eliminate duplicates Z: 154 108.636 2.426 0.970 0.624 0.948 0.739 CB 1.725 154 residues pruned to eliminate duplicates Z: 152 105.232 2.449 0.914 0.610 0.934 0.742 CB 1.763 152 residues pruned to eliminate duplicates Z: 75 69.823 2.429 0.885 0.588 0.959 0.662 CB 1.699 75 residues pruned to eliminate duplicates Z: 30 58.682 2.566 1.002 0.741 0.966 0.862 CB 1.771 30 residues pruned to eliminate duplicates Z: 152 108.364 2.435 0.967 0.615 0.947 0.689 CB 1.743 152 residues pruned to eliminate duplicates Z: 68 76.731 2.483 1.024 0.594 0.955 0.672 CB 1.786 68 residues pruned to eliminate duplicates Z: 69 75.221 2.497 0.990 0.602 0.941 0.662 CB 1.770 69 residues pruned to eliminate duplicates Z: 109 90.304 2.486 1.072 0.566 0.917 0.685 CB 1.727 109 residues pruned to eliminate duplicates Z: 44 63.840 2.521 1.000 0.636 0.930 0.767 CB 1.827 44 residues pruned to eliminate duplicates Z: 152 112.231 2.447 1.011 0.628 0.940 0.735 CB 1.750 152 residues pruned to eliminate duplicates Z: 54 67.496 2.479 1.077 0.595 0.943 0.660 CB 1.743 54 residues pruned to eliminate duplicates Z: 152 109.229 2.450 0.974 0.618 0.947 0.709 CB 1.736 152 residues pruned to eliminate duplicates Z: 58 70.599 2.480 1.079 0.638 0.930 0.754 CB 1.714 58 residues pruned to eliminate duplicates Z: 100 89.827 2.486 1.072 0.601 0.909 0.697 CB 1.752 100 residues pruned to eliminate duplicates Z: 67 74.307 2.494 0.991 0.598 0.939 0.667 CB 1.785 67 residues pruned to eliminate duplicates Z: 128 101.292 2.442 1.010 0.636 0.937 0.724 CB 1.720 128 residues pruned to eliminate duplicates Z: 26 32.582 2.317 1.026 0.522 0.880 0.600 CB 1.543 26 residues pruned to eliminate duplicates Z: 85 81.441 2.470 1.039 0.585 0.940 0.619 CB 1.729 85 residues pruned to eliminate duplicates Z: 84 76.399 2.387 0.942 0.624 0.940 0.795 CB 1.713 84 residues pruned to eliminate duplicates Z: 103 83.197 2.419 0.929 0.596 0.931 0.735 CB 1.730 103 residues pruned to eliminate duplicates Z: 128 103.409 2.440 1.029 0.636 0.929 0.717 CB 1.757 128 residues pruned to eliminate duplicates Z: 43 57.335 2.450 1.235 0.544 0.929 0.643 CB 1.667 43 residues pruned to eliminate duplicates Z: 152 107.747 2.440 0.976 0.614 0.940 0.709 CB 1.737 152 residues pruned to eliminate duplicates Z: 110 95.468 2.494 1.114 0.575 0.927 0.670 CB 1.742 110 residues pruned to eliminate duplicates Z: 132 99.636 2.406 0.953 0.625 0.962 0.733 CB 1.712 132 residues pruned to eliminate duplicates Z: 60 59.777 2.448 1.117 0.488 0.932 0.559 CB 1.630 60 residues pruned to eliminate duplicates Z: 86 76.285 2.351 0.969 0.630 0.941 0.729 CB 1.680 86 residues pruned to eliminate duplicates Z: 41 46.996 2.401 1.203 0.504 0.875 0.725 CB 1.599 41 residues pruned to eliminate duplicates Z: 152 108.179 2.445 0.993 0.613 0.940 0.742 CB 1.727 152 residues pruned to eliminate duplicates Z: 72 64.772 2.378 0.828 0.593 0.944 0.732 CB 1.714 72 residues pruned to eliminate duplicates Z: 82 72.084 2.398 0.912 0.606 0.938 0.753 CB 1.683 82 residues pruned to eliminate duplicates Z: 85 71.232 2.375 0.903 0.605 0.929 0.738 CB 1.677 85 residues pruned to eliminate duplicates Z: 85 70.517 2.370 0.891 0.588 0.929 0.762 CB 1.699 85 residues pruned to eliminate duplicates Z: 87 73.445 2.357 0.947 0.609 0.930 0.733 CB 1.673 87 residues pruned to eliminate duplicates Z: 51 59.921 2.439 1.101 0.532 0.960 0.600 CB 1.669 51 residues pruned to eliminate duplicates Z: 42 45.382 2.419 0.990 0.529 0.927 0.659 CB 1.543 42 residues pruned to eliminate duplicates Z: 87 74.238 2.334 0.952 0.613 0.942 0.709 CB 1.676 87 residues pruned to eliminate duplicates Z: 152 106.511 2.458 0.950 0.609 0.940 0.689 CB 1.735 152 residues pruned to eliminate duplicates Z: 43 50.010 2.458 1.192 0.500 0.905 0.643 CB 1.583 43 residues pruned to eliminate duplicates Z: 71 67.408 2.350 0.882 0.625 0.943 0.757 CB 1.717 71 residues pruned to eliminate duplicates Z: 104 80.786 2.407 0.939 0.573 0.942 0.689 CB 1.688 104 residues pruned to eliminate duplicates Z: 127 105.711 2.461 1.060 0.630 0.944 0.738 CB 1.741 127 residues pruned to eliminate duplicates Z: 83 72.434 2.398 0.914 0.629 0.890 0.732 CB 1.735 83 residues pruned to eliminate duplicates Z: 87 78.729 2.331 1.032 0.634 0.942 0.756 CB 1.678 87 residues pruned to eliminate duplicates Z: 63 44.318 2.163 0.641 0.568 0.903 0.694 CB 1.644 63 residues pruned to eliminate duplicates Z: 155 101.801 2.393 0.963 0.611 0.922 0.708 CB 1.706 155 residues pruned to eliminate duplicates Z: 84 73.118 2.378 0.897 0.609 0.940 0.747 CB 1.707 84 residues pruned to eliminate duplicates Z: 47 49.949 2.284 0.680 0.695 0.935 0.804 CB 1.718 47 residues pruned to eliminate duplicates Z: 47 48.002 2.259 0.623 0.677 0.935 0.804 CB 1.756 47 residues pruned to eliminate duplicates Z: 152 103.390 2.439 0.949 0.605 0.927 0.675 CB 1.728 152 residues pruned to eliminate duplicates Z: 152 103.929 2.430 0.975 0.611 0.927 0.715 CB 1.710 152 residues pruned to eliminate duplicates Z: 84 66.167 2.333 0.907 0.597 0.916 0.675 CB 1.625 84 residues pruned to eliminate duplicates Z: 83 80.920 2.401 1.028 0.625 0.951 0.768 CB 1.715 83 residues pruned to eliminate duplicates Z: 49 47.667 2.244 0.613 0.669 0.938 0.771 CB 1.734 49 residues pruned to eliminate duplicates Z: 47 53.083 2.272 0.747 0.682 0.978 0.826 CB 1.706 47 residues pruned to eliminate duplicates Z: 153 106.784 2.440 0.975 0.613 0.934 0.724 CB 1.729 153 residues pruned to eliminate duplicates Z: 50 45.756 2.176 0.636 0.668 0.939 0.816 CB 1.674 50 residues pruned to eliminate duplicates Z: 47 52.501 2.287 0.731 0.702 0.935 0.804 CB 1.740 47 residues pruned to eliminate duplicates Z: 153 106.031 2.418 0.961 0.616 0.947 0.750 CB 1.715 153 residues pruned to eliminate duplicates Z: 85 72.746 2.361 0.931 0.624 0.929 0.738 CB 1.668 85 residues pruned to eliminate duplicates Z: 87 72.212 2.337 0.927 0.604 0.930 0.721 CB 1.684 87 residues pruned to eliminate duplicates Z: 85 73.512 2.364 0.911 0.615 0.940 0.810 CB 1.693 85 residues pruned to eliminate duplicates Z: 105 85.591 2.386 0.993 0.585 0.942 0.702 CB 1.727 105 residues pruned to eliminate duplicates Z: 97 77.008 2.362 0.958 0.601 0.927 0.708 CB 1.665 97 residues pruned to eliminate duplicates Z: 47 46.919 2.284 0.625 0.675 0.935 0.804 CB 1.697 47 residues pruned to eliminate duplicates Z: 49 46.357 2.248 0.702 0.635 0.917 0.750 CB 1.681 49 residues pruned to eliminate duplicates Z: 47 47.913 2.287 0.672 0.648 0.913 0.739 CB 1.762 47 residues pruned to eliminate duplicates Z: 74 63.996 2.317 0.800 0.637 0.945 0.753 CB 1.671 74 residues pruned to eliminate duplicates Z: 46 55.354 2.310 0.765 0.706 0.956 0.822 CB 1.757 46 residues pruned to eliminate duplicates Z: 74 65.578 2.332 0.879 0.608 0.932 0.712 CB 1.696 74 residues pruned to eliminate duplicates Z: 84 77.313 2.379 0.957 0.629 0.952 0.795 CB 1.695 84 residues pruned to eliminate duplicates Z: 152 111.814 2.444 0.997 0.620 0.960 0.715 CB 1.733 152 residues pruned to eliminate duplicates Z: 21 35.603 2.142 0.589 0.904 1.000 0.850 CB 1.665 21 residues pruned to eliminate duplicates Z: 92 74.214 2.340 0.985 0.567 0.934 0.692 CB 1.680 92 residues pruned to eliminate duplicates Z: 49 51.195 2.235 0.709 0.678 0.958 0.792 CB 1.714 49 residues pruned to eliminate duplicates Z: 47 54.269 2.287 0.739 0.708 0.957 0.826 CB 1.741 47 residues pruned to eliminate duplicates Z: 125 81.291 2.299 0.876 0.608 0.935 0.726 CB 1.632 125 residues pruned to eliminate duplicates Z: 84 76.454 2.380 0.943 0.610 0.952 0.699 CB 1.717 84 residues pruned to eliminate duplicates Z: 153 108.209 2.432 1.021 0.603 0.941 0.704 CB 1.721 153 residues pruned to eliminate duplicates Z: 47 51.073 2.258 0.737 0.687 0.957 0.848 CB 1.692 47 residues pruned to eliminate duplicates Z: 50 49.896 2.161 0.715 0.696 0.980 0.796 CB 1.642 50 residues pruned to eliminate duplicates Z: 48 48.285 2.232 0.711 0.691 0.936 0.809 CB 1.655 48 residues pruned to eliminate duplicates Z: 47 51.864 2.277 0.795 0.680 0.913 0.761 CB 1.737 47 residues pruned to eliminate duplicates Z: 104 85.166 2.386 1.016 0.584 0.951 0.709 CB 1.691 104 residues pruned to eliminate duplicates Z: 50 48.057 2.187 0.712 0.645 0.959 0.755 CB 1.671 50 residues pruned to eliminate duplicates Z: 56 53.815 2.235 0.809 0.643 0.927 0.727 CB 1.694 56 residues pruned to eliminate duplicates Z: 153 104.332 2.424 0.979 0.607 0.928 0.757 CB 1.718 153 residues pruned to eliminate duplicates Z: 86 71.226 2.360 0.900 0.594 0.941 0.729 CB 1.673 86 residues pruned to eliminate duplicates Z: 169 97.933 2.322 0.955 0.571 0.946 0.655 CB 1.642 169 residues pruned to eliminate duplicates Z: 23 30.923 2.262 0.888 0.527 0.864 0.591 CB 1.741 23 residues pruned to eliminate duplicates Z: 14 16.828 2.152 0.882 0.428 0.769 0.462 CA 1.615 14 residues pruned to eliminate duplicates Z: 127 87.270 2.372 0.938 0.557 0.952 0.690 CB 1.680 127 residues pruned to eliminate duplicates Z: 24 29.905 2.204 0.758 0.534 1.000 0.565 CB 1.558 24 residues pruned to eliminate duplicates Z: 26 30.039 2.144 0.776 0.533 0.960 0.520 CB 1.591 26 residues pruned to eliminate duplicates Z: 142 77.860 2.277 0.787 0.550 0.943 0.688 CB 1.627 142 residues pruned to eliminate duplicates Z: 23 37.704 2.329 1.016 0.511 1.000 0.545 CB 1.694 23 residues pruned to eliminate duplicates Z: 24 32.553 2.265 0.772 0.540 0.957 0.696 CB 1.700 24 residues pruned to eliminate duplicates Z: 115 81.834 2.338 0.940 0.572 0.947 0.693 CB 1.664 115 residues pruned to eliminate duplicates Z: 27 27.137 2.127 0.695 0.504 0.962 0.538 CB 1.528 27 residues pruned to eliminate duplicates Z: 88 60.878 2.294 0.834 0.549 0.920 0.552 CB 1.608 88 residues pruned to eliminate duplicates Z: 23 32.112 2.301 0.729 0.578 0.955 0.591 CB 1.673 23 residues pruned to eliminate duplicates Z: 27 29.361 2.128 0.773 0.530 0.962 0.577 CB 1.541 27 residues pruned to eliminate duplicates Z: 150 82.368 2.281 0.814 0.590 0.940 0.705 CB 1.592 150 residues pruned to eliminate duplicates Z: 89 60.670 2.285 0.851 0.557 0.920 0.625 CB 1.571 89 residues pruned to eliminate duplicates Z: 26 35.411 2.202 0.804 0.584 1.000 0.680 CB 1.645 26 residues pruned to eliminate duplicates Z: 26 27.016 2.201 0.784 0.510 0.880 0.640 CB 1.548 26 residues pruned to eliminate duplicates Z: 24 31.335 2.220 0.815 0.531 0.957 0.652 CB 1.644 24 residues pruned to eliminate duplicates Z: 26 32.538 2.248 0.826 0.544 0.920 0.640 CB 1.651 26 residues pruned to eliminate duplicates Z: 28 25.574 2.089 0.700 0.470 0.926 0.667 CB 1.542 28 residues pruned to eliminate duplicates Z: 24 29.946 2.250 0.700 0.535 0.957 0.696 CB 1.649 24 residues pruned to eliminate duplicates Z: 111 72.521 2.313 0.869 0.564 0.936 0.682 CB 1.606 111 residues pruned to eliminate duplicates Z: 31 27.398 2.084 0.789 0.528 0.867 0.633 CB 1.506 31 residues pruned to eliminate duplicates Z: 120 81.135 2.330 0.973 0.576 0.924 0.655 CB 1.627 120 residues pruned to eliminate duplicates Z: 119 78.281 2.291 0.952 0.571 0.941 0.686 CB 1.600 119 residues pruned to eliminate duplicates Z: 151 82.673 2.268 0.857 0.571 0.933 0.680 CB 1.603 151 residues pruned to eliminate duplicates Z: 167 94.100 2.298 0.921 0.593 0.928 0.627 CB 1.631 167 residues pruned to eliminate duplicates Z: 103 68.580 2.329 0.860 0.553 0.922 0.676 CB 1.615 103 residues pruned to eliminate duplicates Z: 121 78.943 2.313 0.888 0.576 0.942 0.667 CB 1.629 121 residues pruned to eliminate duplicates Z: 90 56.330 2.241 0.818 0.529 0.944 0.596 CB 1.509 90 residues pruned to eliminate duplicates Z: 73 56.589 2.265 0.823 0.578 0.958 0.667 CB 1.563 73 residues pruned to eliminate duplicates Z: 120 83.427 2.313 0.973 0.578 0.950 0.714 CB 1.637 120 residues pruned to eliminate duplicates Z: 121 79.371 2.290 0.896 0.566 0.967 0.675 CB 1.619 121 residues pruned to eliminate duplicates Z: 88 71.489 2.357 0.936 0.578 0.931 0.655 CB 1.673 88 residues pruned to eliminate duplicates Z: 120 79.203 2.303 0.961 0.572 0.941 0.681 CB 1.594 120 residues pruned to eliminate duplicates Z: 149 83.360 2.249 0.924 0.573 0.932 0.676 CB 1.582 149 residues pruned to eliminate duplicates Z: 44 53.121 2.377 0.920 0.639 0.977 0.767 CB 1.596 44 residues pruned to eliminate duplicates Z: 62 54.440 2.311 0.972 0.567 0.934 0.607 CB 1.533 62 residues pruned to eliminate duplicates Z: 59 49.733 2.252 0.864 0.587 0.931 0.586 CB 1.537 59 residues pruned to eliminate duplicates Z: 111 70.251 2.263 0.937 0.552 0.927 0.591 CB 1.567 111 residues pruned to eliminate duplicates Z: 113 76.265 2.295 0.992 0.557 0.946 0.696 CB 1.576 113 residues pruned to eliminate duplicates Z: 102 70.983 2.312 0.955 0.562 0.931 0.653 CB 1.581 102 residues pruned to eliminate duplicates Z: 112 77.441 2.316 0.995 0.563 0.937 0.685 CB 1.596 112 residues pruned to eliminate duplicates Z: 235 110.786 2.301 0.928 0.588 0.940 0.692 CB 1.596 235 residues pruned to eliminate duplicates Z: 101 74.668 2.341 0.977 0.570 0.940 0.670 CB 1.604 101 residues pruned to eliminate duplicates Z: 112 80.541 2.329 1.014 0.572 0.937 0.685 CB 1.622 112 residues pruned to eliminate duplicates Z: 73 60.533 2.280 0.967 0.577 0.944 0.625 CB 1.564 73 residues pruned to eliminate duplicates Z: 69 55.345 2.260 0.962 0.575 0.912 0.647 CB 1.545 69 residues pruned to eliminate duplicates Z: 90 64.342 2.268 0.934 0.559 0.944 0.629 CB 1.556 90 residues pruned to eliminate duplicates Z: 121 81.735 2.302 0.966 0.564 0.958 0.642 CB 1.616 121 residues pruned to eliminate duplicates Z: 113 71.733 2.291 0.961 0.538 0.938 0.661 CB 1.551 113 residues pruned to eliminate duplicates Z: 121 78.529 2.302 0.979 0.557 0.933 0.667 CB 1.595 121 residues pruned to eliminate duplicates Z: 146 87.100 2.259 0.983 0.587 0.938 0.669 CB 1.583 146 residues pruned to eliminate duplicates Z: 32 54.286 2.427 1.084 0.697 1.000 0.677 CB 1.611 32 residues pruned to eliminate duplicates Z: 150 88.146 2.285 0.938 0.580 0.940 0.671 CB 1.608 150 residues pruned to eliminate duplicates Z: 95 63.624 2.277 0.998 0.530 0.915 0.649 CB 1.531 95 residues pruned to eliminate duplicates Z: 95 65.796 2.298 0.998 0.536 0.936 0.660 CB 1.524 95 residues pruned to eliminate duplicates Z: 61 50.752 2.279 1.041 0.479 0.900 0.617 CB 1.599 61 residues pruned to eliminate duplicates Z: 84 73.958 2.368 1.066 0.580 0.952 0.699 CB 1.615 84 residues pruned to eliminate duplicates Z: 119 75.197 2.295 0.998 0.547 0.924 0.644 CB 1.561 119 residues pruned to eliminate duplicates Z: 98 65.458 2.256 0.865 0.555 0.948 0.680 CB 1.578 98 residues pruned to eliminate duplicates Z: 110 79.678 2.336 1.049 0.567 0.936 0.633 CB 1.597 110 residues pruned to eliminate duplicates Z: 98 62.325 2.253 0.830 0.550 0.918 0.670 CB 1.593 98 residues pruned to eliminate duplicates Z: 59 51.349 2.344 1.002 0.489 0.914 0.690 CB 1.590 59 residues pruned to eliminate duplicates Z: 122 83.914 2.303 1.009 0.576 0.950 0.678 CB 1.613 122 residues pruned to eliminate duplicates Z: 150 84.989 2.280 0.900 0.567 0.946 0.664 CB 1.592 150 residues pruned to eliminate duplicates Z: 121 84.685 2.318 1.063 0.582 0.933 0.675 CB 1.600 121 residues pruned to eliminate duplicates Z: 73 59.678 2.281 0.909 0.589 0.958 0.667 CB 1.548 73 residues pruned to eliminate duplicates Z: 112 75.069 2.296 1.007 0.545 0.946 0.631 CB 1.564 112 residues pruned to eliminate duplicates Z: 88 67.263 2.295 1.011 0.568 0.931 0.690 CB 1.572 88 residues pruned to eliminate duplicates Z: 68 57.731 2.309 1.065 0.510 0.910 0.612 CB 1.609 68 residues pruned to eliminate duplicates Z: 150 89.981 2.281 0.950 0.588 0.946 0.691 CB 1.610 150 residues pruned to eliminate duplicates Z: 35 31.064 2.247 0.906 0.469 0.853 0.529 CB 1.505 35 residues pruned to eliminate duplicates Z: 120 81.181 2.326 0.979 0.566 0.933 0.613 CB 1.625 120 residues pruned to eliminate duplicates Z: 84 62.072 2.283 0.965 0.576 0.916 0.614 CB 1.542 84 residues pruned to eliminate duplicates Z: 121 78.247 2.310 0.968 0.555 0.933 0.633 CB 1.595 121 residues pruned to eliminate duplicates Z: 50 46.748 2.346 0.973 0.502 0.918 0.694 CB 1.568 50 residues pruned to eliminate duplicates Z: 103 77.097 2.304 0.994 0.588 0.961 0.676 CB 1.589 103 residues pruned to eliminate duplicates Z: 150 81.612 2.271 0.901 0.557 0.933 0.698 CB 1.571 150 residues pruned to eliminate duplicates Z: 121 81.074 2.305 0.981 0.577 0.933 0.625 CB 1.612 121 residues pruned to eliminate duplicates Z: 59 52.123 2.327 1.038 0.520 0.897 0.655 CB 1.578 59 residues pruned to eliminate duplicates Z: 112 74.120 2.294 0.975 0.568 0.937 0.685 CB 1.552 112 residues pruned to eliminate duplicates Z: 111 80.759 2.324 1.069 0.571 0.936 0.682 CB 1.597 111 residues pruned to eliminate duplicates Z: 60 48.003 2.294 1.005 0.503 0.898 0.661 CB 1.509 60 residues pruned to eliminate duplicates Z: 110 78.203 2.295 1.037 0.582 0.945 0.697 CB 1.568 110 residues pruned to eliminate duplicates Z: 112 76.848 2.315 0.969 0.584 0.937 0.685 CB 1.576 112 residues pruned to eliminate duplicates Z: 150 89.646 2.292 0.923 0.593 0.946 0.718 CB 1.611 150 residues pruned to eliminate duplicates Z: 88 70.570 2.308 1.058 0.602 0.943 0.724 CB 1.534 88 residues pruned to eliminate duplicates Z: 50 44.827 2.339 0.924 0.521 0.898 0.653 CB 1.551 50 residues pruned to eliminate duplicates Z: 49 53.768 2.324 1.013 0.562 0.938 0.771 CB 1.666 49 residues pruned to eliminate duplicates Z: 121 82.458 2.315 1.055 0.572 0.925 0.675 CB 1.595 121 residues pruned to eliminate duplicates Z: 76 67.907 2.349 1.093 0.609 0.920 0.760 CB 1.564 76 residues pruned to eliminate duplicates Z: 60 48.637 2.309 1.017 0.494 0.898 0.678 CB 1.523 60 residues pruned to eliminate duplicates Z: 57 54.977 2.353 1.059 0.522 0.946 0.714 CB 1.568 57 residues pruned to eliminate duplicates Z: 51 41.832 2.286 0.940 0.470 0.900 0.720 CB 1.528 51 residues pruned to eliminate duplicates Z: 61 46.751 2.285 0.950 0.475 0.917 0.583 CB 1.516 61 residues pruned to eliminate duplicates Z: 150 86.786 2.281 0.912 0.582 0.953 0.698 CB 1.581 150 residues pruned to eliminate duplicates Z: 111 71.321 2.329 0.916 0.544 0.918 0.636 CB 1.590 111 residues pruned to eliminate duplicates Z: 139 79.387 2.273 0.918 0.582 0.920 0.659 CB 1.556 139 residues pruned to eliminate duplicates Z: 33 36.601 2.312 0.944 0.484 0.906 0.688 CB 1.615 33 residues pruned to eliminate duplicates Z: 105 84.199 2.379 0.932 0.596 0.942 0.635 CB 1.738 52 residues pruned to eliminate duplicates Z: 6 7.418 1.735 0.975 0.399 1.000 0.600 CA 1.076 6 residues pruned to eliminate duplicates Z: 20 26.626 2.408 0.726 0.424 0.895 0.474 CB 1.777 20 residues pruned to eliminate duplicates Z: 154 111.345 2.426 1.013 0.622 0.954 0.712 CB 1.722 151 residues pruned to eliminate duplicates Z: 7 8.666 2.135 0.695 0.336 1.000 0.500 CB 1.169 7 residues pruned to eliminate duplicates Z: 129 102.667 2.460 0.978 0.627 0.945 0.727 CB 1.750 129 residues pruned to eliminate duplicates Z: 69 77.968 2.486 0.993 0.626 0.971 0.706 CB 1.745 69 residues pruned to eliminate duplicates Z: 152 110.220 2.445 0.999 0.623 0.934 0.728 CB 1.750 152 residues pruned to eliminate duplicates Z: 152 106.165 2.441 0.970 0.617 0.934 0.695 CB 1.722 152 residues pruned to eliminate duplicates Z: 21 31.088 2.356 0.920 0.434 0.950 0.450 CB 1.732 21 residues pruned to eliminate duplicates Z: 86 94.909 2.527 1.197 0.607 0.965 0.718 CB 1.736 86 residues pruned to eliminate duplicates Z: 45 71.162 2.553 1.053 0.664 0.955 0.682 CB 1.842 45 residues pruned to eliminate duplicates Z: 60 69.189 2.509 0.981 0.598 0.949 0.712 CB 1.739 60 residues pruned to eliminate duplicates Z: 69 77.857 2.501 1.034 0.613 0.941 0.735 CB 1.772 69 residues pruned to eliminate duplicates Z: 130 102.626 2.428 1.003 0.639 0.938 0.752 CB 1.739 130 residues pruned to eliminate duplicates Z: 54 59.635 2.347 1.280 0.532 0.925 0.623 CB 1.605 54 residues pruned to eliminate duplicates Z: 104 81.104 2.391 0.980 0.574 0.913 0.680 CB 1.721 106 residues pruned to eliminate duplicates Z: 7 11.940 1.817 0.937 0.501 1.000 0.500 CA 1.383 7 residues pruned to eliminate duplicates Z: 105 81.006 2.382 0.941 0.589 0.933 0.663 CB 1.691 105 residues pruned to eliminate duplicates Z: 10 11.410 1.984 0.824 0.380 0.889 0.667 CA 1.345 Z: 6 6.678 1.758 0.843 0.411 0.800 0.600 CA 1.265 6 residues pruned to eliminate duplicates Z: 43 47.597 2.196 0.875 0.620 0.952 0.690 CB 1.672 10 residues pruned to eliminate duplicates Z: 6 9.982 1.709 1.100 0.631 0.800 0.400 CA 1.375 6 residues pruned to eliminate duplicates Z: 98 59.966 2.258 0.761 0.539 0.928 0.701 CB 1.588 141 residues pruned to eliminate duplicates Z: 121 77.734 2.311 0.944 0.564 0.925 0.692 CB 1.605 121 residues pruned to eliminate duplicates Z: 147 84.004 2.275 0.924 0.577 0.938 0.671 CB 1.571 147 residues pruned to eliminate duplicates Z: 14 21.502 2.077 1.006 0.553 0.846 0.538 CB 1.606 Z: 6 6.262 1.661 1.386 0.253 0.800 0.400 C 1.173 6 residues pruned to eliminate duplicates Z: 149 82.260 2.281 0.869 0.563 0.932 0.682 CB 1.600 163 residues pruned to eliminate duplicates Z: 48 40.586 2.155 0.691 0.567 0.936 0.745 CB 1.626 Z: 6 4.774 1.384 0.895 0.389 0.800 0.400 C 1.144 6 residues pruned to eliminate duplicates Z: 47 44.009 2.161 0.758 0.623 0.957 0.761 CB 1.590 47 residues pruned to eliminate duplicates Z: 6 2.571 1.597 0.139 0.334 0.800 0.600 CB 0.947 6 residues pruned to eliminate duplicates Z: 81 55.447 2.223 0.827 0.549 0.913 0.762 CB 1.594 129 residues pruned to eliminate duplicates Z: 48 41.546 2.130 0.734 0.603 0.936 0.766 CB 1.589 Z: 6 4.829 1.827 0.521 0.287 1.000 0.400 CA 0.987 6 residues pruned to eliminate duplicates Z: 41 41.273 2.145 0.719 0.650 0.975 0.800 CB 1.579 41 residues pruned to eliminate duplicates Z: 27 35.062 2.204 0.623 0.703 0.962 0.846 CB 1.662 27 residues pruned to eliminate duplicates Z: 18 31.281 2.111 0.765 0.786 1.000 0.765 CB 1.583 18 residues pruned to eliminate duplicates Z: 100 57.782 2.232 0.859 0.524 0.889 0.707 CB 1.538 148 residues pruned to eliminate duplicates Z: 46 45.046 2.189 0.723 0.603 0.978 0.756 CB 1.650 Z: 17 27.044 2.031 0.564 0.917 1.000 0.688 CB 1.502 17 residues pruned to eliminate duplicates Z: 101 57.671 2.233 0.774 0.511 0.920 0.690 CB 1.564 147 residues pruned to eliminate duplicates Z: 43 38.423 2.094 0.731 0.616 0.929 0.714 CB 1.577 Z: 19 28.900 1.911 0.706 0.902 1.000 0.833 CB 1.490 17 residues pruned to eliminate duplicates Z: 17 29.350 2.018 0.766 0.875 1.000 0.750 CB 1.496 17 residues pruned to eliminate duplicates Z: 151 81.655 2.264 0.844 0.565 0.953 0.653 CB 1.573 196 residues pruned to eliminate duplicates Z: 42 38.085 2.117 0.747 0.640 0.927 0.634 CB 1.522 Z: 17 27.434 2.046 0.560 0.896 1.000 0.938 CB 1.540 17 residues pruned to eliminate duplicates Z: 81 57.289 2.228 0.813 0.551 0.963 0.750 CB 1.568 123 residues pruned to eliminate duplicates Z: 121 76.800 2.309 0.887 0.579 0.933 0.667 CB 1.597 121 residues pruned to eliminate duplicates Z: 124 82.203 2.302 0.972 0.601 0.935 0.764 CB 1.586 124 residues pruned to eliminate duplicates Z: 93 62.273 2.226 0.837 0.554 0.946 0.674 CB 1.594 93 residues pruned to eliminate duplicates Z: 87 55.425 2.218 0.807 0.557 0.930 0.674 CB 1.516 87 residues pruned to eliminate duplicates Z: 75 64.282 2.267 0.842 0.634 0.973 0.716 CB 1.622 75 residues pruned to eliminate duplicates Z: 74 64.121 2.259 0.911 0.629 0.959 0.699 CB 1.606 74 residues pruned to eliminate duplicates Z: 105 68.057 2.224 0.846 0.606 0.942 0.692 CB 1.560 105 residues pruned to eliminate duplicates Z: 42 48.686 2.277 0.768 0.653 0.951 0.659 CB 1.722 42 residues pruned to eliminate duplicates Z: 57 52.643 2.254 0.739 0.641 0.964 0.804 CB 1.631 57 residues pruned to eliminate duplicates Z: 77 63.866 2.242 0.895 0.624 0.947 0.724 CB 1.619 77 residues pruned to eliminate duplicates Z: 76 62.392 2.242 0.891 0.618 0.933 0.693 CB 1.628 76 residues pruned to eliminate duplicates Z: 74 63.486 2.251 0.907 0.637 0.959 0.699 CB 1.588 74 residues pruned to eliminate duplicates Z: 20 53.898 2.423 0.948 0.940 1.000 1.000 CB 1.819 20 residues pruned to eliminate duplicates Z: 74 60.962 2.231 0.882 0.611 0.973 0.699 CB 1.572 74 residues pruned to eliminate duplicates Z: 44 52.286 2.258 0.909 0.628 1.000 0.698 CB 1.640 44 residues pruned to eliminate duplicates Z: 107 66.442 2.194 0.843 0.578 0.962 0.679 CB 1.537 107 residues pruned to eliminate duplicates Z: 84 57.868 2.212 0.869 0.587 0.928 0.663 CB 1.523 84 residues pruned to eliminate duplicates Z: 78 61.144 2.216 0.935 0.592 0.961 0.675 CB 1.548 78 residues pruned to eliminate duplicates Z: 60 55.047 2.225 0.920 0.605 0.966 0.661 CB 1.571 60 residues pruned to eliminate duplicates Z: 106 64.335 2.184 0.866 0.583 0.914 0.657 CB 1.556 106 residues pruned to eliminate duplicates Z: 22 51.046 2.346 1.064 0.935 1.000 0.905 CB 1.603 22 residues pruned to eliminate duplicates Z: 85 59.353 2.186 0.867 0.576 0.952 0.631 CB 1.548 85 residues pruned to eliminate duplicates Z: 58 57.340 2.246 0.895 0.628 0.982 0.754 CB 1.610 58 residues pruned to eliminate duplicates Z: 106 67.943 2.208 0.862 0.600 0.943 0.657 CB 1.555 106 residues pruned to eliminate duplicates Z: 57 56.499 2.264 0.872 0.639 0.964 0.768 CB 1.622 57 residues pruned to eliminate duplicates Z: 107 66.116 2.180 0.892 0.592 0.943 0.717 CB 1.510 107 residues pruned to eliminate duplicates Z: 46 50.818 2.206 0.951 0.622 0.978 0.711 CB 1.604 46 residues pruned to eliminate duplicates Z: 106 66.893 2.201 0.860 0.592 0.952 0.686 CB 1.534 106 residues pruned to eliminate duplicates Z: 59 54.888 2.237 0.881 0.622 0.966 0.655 CB 1.581 59 residues pruned to eliminate duplicates Z: 44 50.687 2.248 0.909 0.647 0.977 0.698 CB 1.607 44 residues pruned to eliminate duplicates Z: 43 49.424 2.280 0.815 0.662 0.976 0.714 CB 1.624 43 residues pruned to eliminate duplicates Z: 63 44.250 2.167 0.825 0.497 0.903 0.597 CB 1.577 63 residues pruned to eliminate duplicates Z: 83 61.615 2.212 0.951 0.596 0.927 0.622 CB 1.552 83 residues pruned to eliminate duplicates Z: 74 65.271 2.265 0.969 0.628 0.945 0.795 CB 1.606 74 residues pruned to eliminate duplicates Z: 106 64.146 2.186 0.869 0.578 0.933 0.648 CB 1.522 106 residues pruned to eliminate duplicates Z: 32 36.870 2.229 0.978 0.518 0.935 0.645 CB 1.577 32 residues pruned to eliminate duplicates Z: 82 51.564 2.162 0.880 0.518 0.926 0.593 CB 1.496 82 residues pruned to eliminate duplicates Z: 106 64.698 2.197 0.844 0.576 0.943 0.629 CB 1.536 106 residues pruned to eliminate duplicates Z: 44 50.914 2.262 0.900 0.654 0.977 0.674 CB 1.603 44 residues pruned to eliminate duplicates Z: 82 48.550 2.148 0.818 0.526 0.901 0.642 CB 1.494 82 residues pruned to eliminate duplicates Z: 44 47.877 2.252 0.820 0.646 0.953 0.674 CB 1.630 44 residues pruned to eliminate duplicates Z: 82 50.375 2.144 0.861 0.524 0.938 0.617 CB 1.460 82 residues pruned to eliminate duplicates Z: 44 50.637 2.262 0.888 0.650 0.977 0.651 CB 1.610 44 residues pruned to eliminate duplicates Z: 75 59.947 2.259 0.814 0.629 0.932 0.703 CB 1.615 75 residues pruned to eliminate duplicates Z: 81 49.569 2.159 0.813 0.520 0.913 0.613 CB 1.521 81 residues pruned to eliminate duplicates Z: 75 63.884 2.253 0.884 0.643 0.946 0.676 CB 1.618 75 residues pruned to eliminate duplicates Z: 80 51.024 2.158 0.820 0.532 0.949 0.671 CB 1.492 80 residues pruned to eliminate duplicates Z: 75 63.105 2.259 0.900 0.629 0.946 0.622 CB 1.601 75 residues pruned to eliminate duplicates Z: 46 36.752 2.162 0.843 0.518 0.867 0.644 CB 1.559 46 residues pruned to eliminate duplicates Z: 63 45.852 2.165 0.836 0.564 0.919 0.645 CB 1.498 63 residues pruned to eliminate duplicates Z: 74 60.075 2.249 0.857 0.632 0.959 0.699 CB 1.552 74 residues pruned to eliminate duplicates Z: 64 48.863 2.160 0.976 0.570 0.921 0.635 CB 1.465 64 residues pruned to eliminate duplicates Z: 64 46.714 2.154 0.874 0.577 0.905 0.667 CB 1.496 64 residues pruned to eliminate duplicates Z: 59 53.779 2.244 0.900 0.643 0.948 0.724 CB 1.528 59 residues pruned to eliminate duplicates Z: 49 42.361 2.174 0.860 0.508 0.938 0.542 CB 1.601 49 residues pruned to eliminate duplicates Z: 81 42.999 2.147 0.758 0.481 0.900 0.613 CB 1.442 81 residues pruned to eliminate duplicates Z: 16 18.900 2.140 1.006 0.533 0.867 0.600 CB 1.270 16 residues pruned to eliminate duplicates Z: 33 41.307 2.203 1.097 0.591 0.938 0.688 CB 1.546 33 residues pruned to eliminate duplicates Z: 33 34.928 2.216 0.874 0.551 0.906 0.656 CB 1.560 33 residues pruned to eliminate duplicates Z: 74 58.546 2.258 0.893 0.606 0.932 0.699 CB 1.556 74 residues pruned to eliminate duplicates Z: 64 44.360 2.147 0.877 0.536 0.921 0.651 CB 1.454 64 residues pruned to eliminate duplicates Z: 33 34.145 2.181 0.820 0.532 0.938 0.594 CB 1.572 33 residues pruned to eliminate duplicates Z: 31 42.056 2.215 1.145 0.602 0.933 0.667 CB 1.571 31 residues pruned to eliminate duplicates Z: 64 45.440 2.129 0.930 0.567 0.905 0.667 CB 1.444 64 residues pruned to eliminate duplicates Z: 32 38.287 2.257 0.946 0.565 0.968 0.645 CB 1.518 32 residues pruned to eliminate duplicates Z: 19 32.485 2.252 0.937 0.598 0.944 0.556 CB 1.694 19 residues pruned to eliminate duplicates Z: 20 28.586 2.193 0.902 0.562 0.947 0.526 CB 1.562 20 residues pruned to eliminate duplicates Z: 63 47.300 2.167 0.895 0.560 0.952 0.661 CB 1.451 63 residues pruned to eliminate duplicates Z: 64 39.759 2.132 0.813 0.523 0.889 0.603 CB 1.425 64 residues pruned to eliminate duplicates Z: 50 38.244 2.131 0.862 0.539 0.898 0.612 CB 1.477 50 residues pruned to eliminate duplicates Z: 64 43.314 2.149 0.867 0.529 0.921 0.619 CB 1.436 64 residues pruned to eliminate duplicates Z: 21 33.561 2.248 1.113 0.523 0.950 0.500 CB 1.626 21 residues pruned to eliminate duplicates Z: 50 38.632 2.147 0.771 0.538 0.939 0.612 CB 1.490 50 residues pruned to eliminate duplicates Z: 51 39.495 2.213 0.842 0.503 0.920 0.580 CB 1.485 51 residues pruned to eliminate duplicates Z: 80 55.079 2.178 0.930 0.550 0.949 0.633 CB 1.480 80 residues pruned to eliminate duplicates Z: 64 37.902 2.120 0.804 0.510 0.889 0.587 CB 1.391 64 residues pruned to eliminate duplicates Z: 64 41.324 2.116 0.833 0.521 0.921 0.698 CB 1.428 64 residues pruned to eliminate duplicates Z: 63 44.844 2.155 0.836 0.535 0.968 0.661 CB 1.437 63 residues pruned to eliminate duplicates Z: 64 42.690 2.118 0.937 0.514 0.952 0.587 CB 1.358 64 residues pruned to eliminate duplicates Z: 33 25.884 2.005 0.744 0.514 0.969 0.594 CB 1.333 33 residues pruned to eliminate duplicates Z: 63 46.432 2.179 0.899 0.536 0.952 0.613 CB 1.445 63 residues pruned to eliminate duplicates Z: 63 40.325 2.151 0.855 0.516 0.903 0.661 CB 1.399 63 residues pruned to eliminate duplicates Z: 51 37.250 2.113 0.786 0.526 0.940 0.680 CB 1.448 51 residues pruned to eliminate duplicates Z: 82 48.066 2.155 0.839 0.507 0.914 0.654 CB 1.464 82 residues pruned to eliminate duplicates Z: 64 42.622 2.142 0.845 0.500 0.937 0.603 CB 1.450 64 residues pruned to eliminate duplicates Z: 64 41.628 2.149 0.833 0.502 0.921 0.651 CB 1.443 64 residues pruned to eliminate duplicates Z: 106 66.716 2.199 0.900 0.594 0.952 0.667 CB 1.495 106 residues pruned to eliminate duplicates Z: 36 22.249 1.971 0.771 0.478 0.886 0.600 CB 1.244 36 residues pruned to eliminate duplicates Z: 27 20.634 1.988 0.685 0.575 0.923 0.654 CB 1.217 27 residues pruned to eliminate duplicates Z: 47 35.318 2.068 0.784 0.541 0.935 0.717 CB 1.450 47 residues pruned to eliminate duplicates Z: 40 24.613 1.942 0.775 0.523 0.949 0.615 CB 1.178 40 residues pruned to eliminate duplicates Z: 82 49.346 2.142 0.813 0.523 0.951 0.642 CB 1.452 82 residues pruned to eliminate duplicates Z: 56 43.523 2.076 0.918 0.627 0.927 0.764 CB 1.411 56 residues pruned to eliminate duplicates Z: 63 44.324 2.129 0.838 0.528 0.984 0.710 CB 1.421 63 residues pruned to eliminate duplicates Z: 64 41.683 2.138 0.871 0.523 0.921 0.667 CB 1.394 64 residues pruned to eliminate duplicates Z: 51 36.613 2.124 0.809 0.511 0.940 0.660 CB 1.419 51 residues pruned to eliminate duplicates Z: 26 22.432 2.086 0.712 0.576 0.920 0.600 CB 1.269 26 residues pruned to eliminate duplicates Z: 24 24.477 2.058 0.784 0.554 0.957 0.609 CB 1.378 24 residues pruned to eliminate duplicates Z: 64 40.792 2.123 0.786 0.536 0.921 0.730 CB 1.421 64 residues pruned to eliminate duplicates Z: 26 24.575 2.086 0.815 0.608 0.880 0.600 CB 1.331 26 residues pruned to eliminate duplicates Z: 33 27.143 2.032 0.800 0.537 0.938 0.656 CB 1.350 33 residues pruned to eliminate duplicates Z: 13 13.574 1.873 0.483 0.605 1.000 0.750 CB 1.276 13 residues pruned to eliminate duplicates Z: 50 39.535 2.110 0.849 0.552 0.939 0.735 CB 1.467 50 residues pruned to eliminate duplicates Z: 38 21.145 1.885 0.708 0.463 0.919 0.568 CB 1.220 38 residues pruned to eliminate duplicates Z: 55 42.062 2.138 0.839 0.605 0.926 0.778 CB 1.423 55 residues pruned to eliminate duplicates Z: 51 39.835 2.134 0.855 0.549 0.940 0.720 CB 1.443 51 residues pruned to eliminate duplicates Z: 37 26.683 2.014 0.711 0.504 0.972 0.611 CB 1.322 37 residues pruned to eliminate duplicates Z: 27 22.730 2.023 0.786 0.555 0.923 0.615 CB 1.266 27 residues pruned to eliminate duplicates Z: 66 40.980 2.107 0.854 0.498 0.938 0.662 CB 1.388 66 residues pruned to eliminate duplicates Z: 33 26.910 2.001 0.804 0.525 0.969 0.625 CB 1.327 33 residues pruned to eliminate duplicates Z: 52 23.958 1.845 0.566 0.585 0.941 0.667 CB 1.136 62 residues pruned to eliminate duplicates Z: 16 11.507 1.588 0.494 0.898 0.867 0.733 CB 1.033 16 residues pruned to eliminate duplicates Z: 82 44.803 2.017 0.824 0.596 0.938 0.691 CB 1.317 82 residues pruned to eliminate duplicates Z: 15 13.321 1.712 0.359 0.878 1.000 0.786 CB 1.110 15 residues pruned to eliminate duplicates Z: 49 28.883 1.889 0.671 0.647 0.938 0.646 CB 1.228 49 residues pruned to eliminate duplicates Z: 17 15.086 1.623 0.571 0.870 1.000 0.562 CB 1.080 17 residues pruned to eliminate duplicates Z: 17 15.142 1.618 0.616 0.877 1.000 0.562 CB 1.052 18 residues pruned to eliminate duplicates Z: 16 12.926 1.645 0.413 0.883 0.933 0.800 CB 1.113 16 residues pruned to eliminate duplicates Z: 15 16.777 1.720 0.738 0.869 1.000 0.714 CB 1.096 15 residues pruned to eliminate duplicates Z: 19 12.263 1.526 0.421 0.842 1.000 0.556 CB 0.993 19 residues pruned to eliminate duplicates Z: 50 31.139 1.871 0.727 0.640 0.980 0.653 CB 1.233 50 residues pruned to eliminate duplicates Z: 15 14.006 1.682 0.438 0.886 1.000 0.857 CB 1.117 15 residues pruned to eliminate duplicates Z: 15 14.550 1.715 0.430 0.890 1.000 0.929 CB 1.141 15 residues pruned to eliminate duplicates Z: 28 18.029 1.777 0.370 0.722 1.000 0.667 CB 1.166 28 residues pruned to eliminate duplicates Z: 17 15.212 1.593 0.539 0.903 1.000 0.938 CB 1.105 17 residues pruned to eliminate duplicates 375 residues left after pruning, divided into chains as follows: A: 48 B: 203 C: 124 CC for partial structure against native data = 40.35 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.779 for dens.mod. cycle 1 = 0.300, Contrast = 0.641, Connect. = 0.803 for dens.mod. cycle 2 = 0.300, Contrast = 0.764, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 0.773, Connect. = 0.830 for dens.mod. cycle 4 = 0.300, Contrast = 0.785, Connect. = 0.832 for dens.mod. cycle 5 = 0.300, Contrast = 0.790, Connect. = 0.833 for dens.mod. cycle 6 = 0.300, Contrast = 0.795, Connect. = 0.834 for dens.mod. cycle 7 = 0.300, Contrast = 0.798, Connect. = 0.835 for dens.mod. cycle 8 = 0.300, Contrast = 0.800, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 0.800, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2438 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 527 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 48.983 2.619 0.601 0.930 1.000 0.905 CB 1.782 B: 22 48.842 2.609 0.766 0.903 0.952 0.857 CB 1.731 22 residues pruned to eliminate duplicates C: 22 60.983 2.622 1.039 0.915 1.000 0.905 CB 1.759 22 residues pruned to eliminate duplicates D: 20 54.728 2.717 0.709 0.946 1.000 0.895 CB 1.870 20 residues pruned to eliminate duplicates E: 22 46.831 2.619 0.508 0.929 1.000 0.905 CB 1.810 22 residues pruned to eliminate duplicates F: 22 58.594 2.635 1.034 0.911 0.952 0.857 CB 1.775 22 residues pruned to eliminate duplicates G: 22 67.582 2.661 1.069 0.950 1.000 0.905 CB 1.848 22 residues pruned to eliminate duplicates H: 23 41.085 2.104 0.767 0.926 1.000 0.864 CB 1.652 I: 22 65.980 2.641 1.082 0.950 1.000 0.857 CB 1.806 22 residues pruned to eliminate duplicates J: 21 69.331 2.709 1.216 0.940 0.950 0.900 CB 1.889 22 residues pruned to eliminate duplicates K: 22 60.167 2.624 1.030 0.901 1.000 0.905 CB 1.759 21 residues pruned to eliminate duplicates L: 22 50.445 2.616 0.797 0.895 0.952 0.905 CB 1.763 22 residues pruned to eliminate duplicates M: 21 55.853 2.554 0.941 0.943 1.000 0.900 CB 1.746 N: 21 51.875 2.702 0.586 0.944 1.000 0.950 CB 1.875 21 residues pruned to eliminate duplicates O: 22 64.411 2.641 1.129 0.930 0.952 0.857 CB 1.836 22 residues pruned to eliminate duplicates P: 20 58.223 2.387 1.084 0.935 1.000 0.895 CB 1.871 Q: 21 78.166 2.721 1.317 0.953 1.000 0.800 CB 1.908 22 residues pruned to eliminate duplicates R: 101 78.293 2.368 0.995 0.588 0.940 0.650 CB 1.621 21 residues pruned to eliminate duplicates S: 21 61.378 2.551 1.164 0.936 1.000 1.000 CB 1.731 21 residues pruned to eliminate duplicates T: 24 32.407 2.082 0.513 0.925 0.957 0.826 CB 1.574 24 residues pruned to eliminate duplicates U: 22 42.585 2.335 0.731 0.937 1.000 0.952 CB 1.600 22 residues pruned to eliminate duplicates V: 24 37.382 2.089 0.656 0.925 1.000 0.783 CB 1.581 23 residues pruned to eliminate duplicates W: 35 43.834 2.365 1.049 0.539 0.941 0.647 CB 1.587 X: 20 48.775 2.362 0.767 0.951 1.000 0.895 CB 1.848 20 residues pruned to eliminate duplicates Y: 23 32.073 2.131 0.512 0.898 0.955 0.818 CB 1.590 23 residues pruned to eliminate duplicates Z: 23 32.552 2.103 0.469 0.924 1.000 1.000 CB 1.579 23 residues pruned to eliminate duplicates Z: 153 106.600 2.443 1.029 0.617 0.908 0.750 CB 1.720 80 residues pruned to eliminate duplicates Z: 17 32.631 2.341 1.105 0.575 0.875 0.625 CB 1.760 Z: 22 60.621 2.624 1.006 0.937 1.000 0.810 CB 1.748 22 residues pruned to eliminate duplicates Z: 21 50.091 2.412 0.897 0.956 1.000 0.850 CB 1.681 21 residues pruned to eliminate duplicates Z: 128 105.520 2.480 1.004 0.637 0.945 0.724 CB 1.754 129 residues pruned to eliminate duplicates Z: 22 61.228 2.643 1.053 0.931 0.952 0.762 CB 1.806 22 residues pruned to eliminate duplicates Z: 22 65.453 2.635 1.131 0.940 0.952 0.762 CB 1.855 22 residues pruned to eliminate duplicates Z: 22 71.356 2.643 1.280 0.930 1.000 0.857 CB 1.807 22 residues pruned to eliminate duplicates Z: 21 62.870 2.544 1.185 0.949 1.000 0.900 CB 1.746 21 residues pruned to eliminate duplicates Z: 85 76.775 2.384 0.916 0.634 0.940 0.738 CB 1.720 85 residues pruned to eliminate duplicates Z: 31 36.611 2.294 0.991 0.571 0.900 0.767 CB 1.519 17 residues pruned to eliminate duplicates Z: 88 74.374 2.332 0.954 0.620 0.931 0.736 CB 1.678 88 residues pruned to eliminate duplicates Z: 154 114.572 2.440 1.069 0.615 0.935 0.667 CB 1.759 152 residues pruned to eliminate duplicates Z: 21 59.524 2.526 1.123 0.947 1.000 0.850 CB 1.715 21 residues pruned to eliminate duplicates Z: 153 107.749 2.434 0.982 0.617 0.934 0.724 CB 1.737 153 residues pruned to eliminate duplicates Z: 22 46.554 2.344 0.873 0.937 1.000 0.857 CB 1.611 22 residues pruned to eliminate duplicates Z: 21 60.939 2.528 1.174 0.943 1.000 0.800 CB 1.719 21 residues pruned to eliminate duplicates Z: 21 74.286 2.715 1.217 0.947 1.000 0.700 CB 1.908 21 residues pruned to eliminate duplicates Z: 22 51.554 2.342 1.067 0.932 1.000 0.857 CB 1.622 22 residues pruned to eliminate duplicates Z: 21 53.440 2.546 0.874 0.929 1.000 1.000 CB 1.753 21 residues pruned to eliminate duplicates Z: 21 51.966 2.521 0.882 0.943 1.000 1.000 CB 1.697 21 residues pruned to eliminate duplicates Z: 21 41.498 2.342 0.631 0.930 1.000 1.000 CB 1.698 21 residues pruned to eliminate duplicates Z: 21 49.266 2.537 0.729 0.948 1.000 1.000 CB 1.734 21 residues pruned to eliminate duplicates Z: 20 46.220 2.422 0.643 0.946 1.000 1.000 CB 1.843 21 residues pruned to eliminate duplicates Z: 53 44.773 2.266 0.637 0.652 0.942 0.673 CB 1.542 53 residues pruned to eliminate duplicates Z: 64 39.541 2.140 0.804 0.510 0.905 0.619 CB 1.412 31 residues pruned to eliminate duplicates Z: 30 35.978 2.259 1.041 0.553 0.931 0.655 CB 1.479 30 residues pruned to eliminate duplicates Z: 21 46.169 2.518 0.647 0.943 1.000 0.900 CB 1.725 21 residues pruned to eliminate duplicates Z: 74 71.289 2.418 1.006 0.617 0.945 0.685 CB 1.629 74 residues pruned to eliminate duplicates Z: 20 49.009 2.378 0.761 0.941 1.000 0.947 CB 1.863 20 residues pruned to eliminate duplicates Z: 154 106.160 2.442 0.917 0.615 0.941 0.719 CB 1.746 154 residues pruned to eliminate duplicates Z: 21 65.444 2.531 1.298 0.955 1.000 0.900 CB 1.729 21 residues pruned to eliminate duplicates Z: 39 49.835 2.435 1.226 0.554 0.895 0.605 CB 1.581 39 residues pruned to eliminate duplicates Z: 104 86.452 2.418 0.930 0.606 0.942 0.689 CB 1.753 104 residues pruned to eliminate duplicates Z: 102 82.072 2.360 1.087 0.595 0.941 0.644 CB 1.610 101 residues pruned to eliminate duplicates Z: 50 44.840 2.363 0.929 0.493 0.898 0.612 CB 1.577 50 residues pruned to eliminate duplicates Z: 154 100.098 2.411 0.909 0.614 0.922 0.699 CB 1.713 153 residues pruned to eliminate duplicates Z: 62 45.144 2.164 0.879 0.569 0.951 0.689 CB 1.398 64 residues pruned to eliminate duplicates Z: 69 72.974 2.483 0.922 0.608 0.926 0.632 CB 1.807 69 residues pruned to eliminate duplicates Z: 22 50.332 2.329 1.064 0.939 1.000 0.810 CB 1.587 20 residues pruned to eliminate duplicates Z: 20 50.738 2.449 0.781 0.948 1.000 0.895 CB 1.844 20 residues pruned to eliminate duplicates Z: 52 43.455 2.195 0.924 0.533 0.941 0.608 CB 1.482 52 residues pruned to eliminate duplicates Z: 23 34.862 2.317 0.838 0.581 0.955 0.591 CB 1.691 23 residues pruned to eliminate duplicates Z: 22 47.723 2.329 0.980 0.917 1.000 0.810 CB 1.594 22 residues pruned to eliminate duplicates Z: 74 69.338 2.277 1.093 0.644 0.945 0.658 CB 1.575 51 residues pruned to eliminate duplicates Z: 18 33.191 2.313 1.119 0.566 0.941 0.765 CB 1.637 18 residues pruned to eliminate duplicates Z: 74 68.022 2.425 0.930 0.585 0.959 0.616 CB 1.635 74 residues pruned to eliminate duplicates Z: 153 106.524 2.444 0.959 0.617 0.928 0.697 CB 1.741 153 residues pruned to eliminate duplicates Z: 23 35.270 2.134 0.583 0.915 1.000 0.727 CB 1.574 23 residues pruned to eliminate duplicates Z: 63 42.910 2.165 0.792 0.525 0.952 0.613 CB 1.440 63 residues pruned to eliminate duplicates Z: 16 43.144 2.452 1.213 0.667 0.933 0.733 CB 1.885 17 residues pruned to eliminate duplicates Z: 22 56.375 2.588 0.927 0.930 1.000 0.952 CB 1.724 22 residues pruned to eliminate duplicates Z: 45 50.372 2.318 0.775 0.661 0.886 0.727 CB 1.793 45 residues pruned to eliminate duplicates Z: 22 39.116 2.170 0.750 0.910 1.000 0.762 CB 1.595 22 residues pruned to eliminate duplicates Z: 74 66.801 2.276 0.997 0.622 0.973 0.644 CB 1.577 74 residues pruned to eliminate duplicates Z: 47 54.505 2.309 0.776 0.685 0.935 0.761 CB 1.769 47 residues pruned to eliminate duplicates Z: 74 68.397 2.277 0.982 0.641 0.959 0.699 CB 1.622 74 residues pruned to eliminate duplicates Z: 21 50.250 2.396 0.937 0.941 1.000 0.900 CB 1.681 21 residues pruned to eliminate duplicates Z: 46 71.091 2.507 1.174 0.662 0.956 0.733 CB 1.751 46 residues pruned to eliminate duplicates Z: 52 41.562 2.151 0.983 0.561 0.922 0.686 CB 1.395 52 residues pruned to eliminate duplicates Z: 21 48.972 2.518 0.785 0.942 1.000 0.900 CB 1.689 21 residues pruned to eliminate duplicates Z: 86 76.678 2.425 0.884 0.656 0.906 0.776 CB 1.738 86 residues pruned to eliminate duplicates Z: 60 70.883 2.545 0.901 0.615 0.949 0.644 CB 1.802 60 residues pruned to eliminate duplicates Z: 85 72.474 2.357 0.898 0.644 0.917 0.714 CB 1.685 85 residues pruned to eliminate duplicates Z: 154 110.309 2.437 1.009 0.620 0.941 0.712 CB 1.728 154 residues pruned to eliminate duplicates Z: 101 80.234 2.371 1.013 0.584 0.960 0.700 CB 1.615 101 residues pruned to eliminate duplicates Z: 83 60.023 2.241 0.884 0.610 0.927 0.695 CB 1.526 83 residues pruned to eliminate duplicates Z: 153 110.338 2.438 1.043 0.625 0.928 0.711 CB 1.721 154 residues pruned to eliminate duplicates Z: 97 64.081 2.339 0.756 0.566 0.917 0.688 CB 1.630 97 residues pruned to eliminate duplicates Z: 100 94.732 2.499 1.118 0.595 0.949 0.687 CB 1.730 100 residues pruned to eliminate duplicates Z: 20 58.554 2.420 1.234 0.948 1.000 0.737 CB 1.715 20 residues pruned to eliminate duplicates Z: 75 69.013 2.376 1.022 0.609 0.959 0.730 CB 1.570 75 residues pruned to eliminate duplicates Z: 22 33.180 2.150 0.556 0.922 0.952 0.810 CB 1.598 22 residues pruned to eliminate duplicates Z: 24 20.716 2.086 0.763 0.564 0.870 0.652 CB 1.270 25 residues pruned to eliminate duplicates Z: 153 109.934 2.460 0.976 0.621 0.934 0.724 CB 1.753 153 residues pruned to eliminate duplicates Z: 100 86.321 2.493 0.946 0.608 0.919 0.667 CB 1.755 100 residues pruned to eliminate duplicates Z: 115 91.644 2.397 0.916 0.632 0.939 0.746 CB 1.758 115 residues pruned to eliminate duplicates Z: 102 71.771 2.350 0.866 0.566 0.941 0.604 CB 1.624 102 residues pruned to eliminate duplicates Z: 82 51.205 2.166 0.880 0.526 0.938 0.593 CB 1.452 81 residues pruned to eliminate duplicates Z: 20 62.911 2.556 1.148 0.956 1.000 0.789 CB 1.806 20 residues pruned to eliminate duplicates Z: 24 35.623 2.280 0.811 0.582 1.000 0.696 CB 1.663 24 residues pruned to eliminate duplicates Z: 12 13.025 2.232 0.306 0.536 0.818 0.455 CB 1.589 12 residues pruned to eliminate duplicates Z: 15 40.833 2.511 1.014 0.627 1.000 0.857 CB 1.914 15 residues pruned to eliminate duplicates Z: 110 91.355 2.452 1.065 0.592 0.945 0.725 CB 1.674 110 residues pruned to eliminate duplicates Z: 57 51.476 2.301 0.946 0.527 0.964 0.714 CB 1.550 49 residues pruned to eliminate duplicates Z: 38 46.032 2.306 0.826 0.680 0.919 0.730 CB 1.658 38 residues pruned to eliminate duplicates Z: 30 33.010 2.219 0.886 0.590 0.897 0.621 CB 1.499 30 residues pruned to eliminate duplicates Z: 22 48.306 2.338 0.999 0.947 1.000 0.714 CB 1.559 22 residues pruned to eliminate duplicates Z: 149 79.273 2.210 0.920 0.573 0.932 0.662 CB 1.535 109 residues pruned to eliminate duplicates Z: 8 14.057 1.960 0.527 0.812 1.000 0.857 CA 1.353 8 residues pruned to eliminate duplicates Z: 61 51.592 2.277 0.944 0.508 0.933 0.667 CB 1.599 61 residues pruned to eliminate duplicates Z: 20 43.969 2.596 0.430 0.959 1.000 0.947 CB 1.863 20 residues pruned to eliminate duplicates Z: 57 64.757 2.494 0.952 0.625 0.893 0.679 CB 1.769 57 residues pruned to eliminate duplicates Z: 43 52.530 2.464 1.181 0.502 0.905 0.690 CB 1.664 43 residues pruned to eliminate duplicates Z: 105 65.540 2.216 0.831 0.587 0.942 0.673 CB 1.546 105 residues pruned to eliminate duplicates Z: 86 71.895 2.352 0.906 0.623 0.918 0.753 CB 1.688 86 residues pruned to eliminate duplicates Z: 103 79.344 2.415 0.888 0.563 0.941 0.716 CB 1.722 103 residues pruned to eliminate duplicates Z: 87 73.561 2.351 0.961 0.599 0.942 0.698 CB 1.662 87 residues pruned to eliminate duplicates Z: 14 39.336 2.518 0.639 0.906 1.000 0.846 CB 1.880 14 residues pruned to eliminate duplicates Z: 23 20.660 2.105 0.605 0.509 0.909 0.636 CB 1.421 23 residues pruned to eliminate duplicates Z: 22 49.546 2.334 1.023 0.936 1.000 0.857 CB 1.595 22 residues pruned to eliminate duplicates Z: 6 8.068 2.078 0.248 0.322 1.000 0.400 CA 1.694 6 residues pruned to eliminate duplicates Z: 8 13.527 1.970 0.574 0.657 1.000 0.571 CA 1.425 8 residues pruned to eliminate duplicates Z: 22 26.382 2.144 0.268 0.903 0.952 0.810 CB 1.585 22 residues pruned to eliminate duplicates Z: 22 34.564 2.164 0.456 0.906 1.000 0.905 CB 1.702 22 residues pruned to eliminate duplicates Z: 85 74.720 2.366 0.909 0.621 0.940 0.762 CB 1.712 85 residues pruned to eliminate duplicates Z: 9 10.965 2.040 0.611 0.569 0.875 0.500 CB 1.261 9 residues pruned to eliminate duplicates Z: 90 70.084 2.323 0.910 0.586 0.910 0.629 CB 1.694 90 residues pruned to eliminate duplicates Z: 85 71.021 2.362 0.872 0.590 0.940 0.702 CB 1.709 85 residues pruned to eliminate duplicates Z: 31 25.318 2.068 0.642 0.596 0.933 0.700 CB 1.332 32 residues pruned to eliminate duplicates Z: 14 7.389 1.823 0.348 0.522 0.769 0.538 CB 1.061 14 residues pruned to eliminate duplicates Z: 50 47.937 2.356 0.958 0.512 0.918 0.694 CB 1.596 50 residues pruned to eliminate duplicates Z: 101 73.344 2.358 0.891 0.587 0.940 0.630 CB 1.609 101 residues pruned to eliminate duplicates Z: 27 31.657 1.971 0.812 0.697 1.000 0.692 CB 1.453 27 residues pruned to eliminate duplicates Z: 22 45.906 2.335 0.871 0.954 1.000 0.857 CB 1.577 22 residues pruned to eliminate duplicates Z: 51 43.273 2.163 0.595 0.661 0.940 0.700 CB 1.625 51 residues pruned to eliminate duplicates Z: 21 65.971 2.477 1.483 0.946 1.000 0.750 CB 1.659 21 residues pruned to eliminate duplicates Z: 12 19.468 1.858 1.165 0.647 0.909 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 29 37.499 2.297 0.885 0.606 0.929 0.750 CB 1.594 29 residues pruned to eliminate duplicates Z: 39 42.415 2.139 0.964 0.605 0.947 0.684 CB 1.565 39 residues pruned to eliminate duplicates Z: 22 73.131 2.610 1.352 0.928 1.000 0.762 CB 1.820 22 residues pruned to eliminate duplicates Z: 23 30.409 2.308 0.748 0.560 0.909 0.500 CB 1.668 23 residues pruned to eliminate duplicates Z: 17 23.210 1.924 1.176 0.561 0.875 0.812 CA 1.493 17 residues pruned to eliminate duplicates Z: 112 98.808 2.510 1.061 0.589 0.946 0.685 CB 1.760 112 residues pruned to eliminate duplicates Z: 59 62.551 2.456 1.041 0.617 0.879 0.621 CB 1.668 59 residues pruned to eliminate duplicates Z: 10 14.618 1.657 1.124 0.779 0.778 0.444 CA 1.392 10 residues pruned to eliminate duplicates Z: 109 93.817 2.508 1.106 0.582 0.917 0.750 CB 1.723 109 residues pruned to eliminate duplicates Z: 12 11.322 1.976 0.167 0.693 1.000 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 26 42.953 2.391 1.030 0.558 1.000 0.800 CB 1.674 26 residues pruned to eliminate duplicates Z: 130 98.672 2.425 0.958 0.618 0.938 0.775 CB 1.745 130 residues pruned to eliminate duplicates Z: 26 27.945 2.202 0.632 0.498 0.920 0.640 CB 1.693 26 residues pruned to eliminate duplicates Z: 154 111.296 2.439 0.981 0.630 0.941 0.693 CB 1.751 154 residues pruned to eliminate duplicates Z: 6 7.392 1.893 0.002 0.819 1.000 0.800 CA 1.321 6 residues pruned to eliminate duplicates Z: 23 29.668 2.063 0.422 0.908 1.000 0.955 CB 1.531 23 residues pruned to eliminate duplicates Z: 153 113.910 2.457 0.968 0.629 0.961 0.724 CB 1.762 153 residues pruned to eliminate duplicates Z: 83 63.291 2.445 0.739 0.568 0.939 0.646 CB 1.640 83 residues pruned to eliminate duplicates Z: 8 10.523 2.034 0.735 0.748 0.714 0.571 CA 1.264 8 residues pruned to eliminate duplicates Z: 63 39.737 2.140 0.794 0.543 0.919 0.694 CB 1.371 63 residues pruned to eliminate duplicates Z: 73 62.516 2.412 0.754 0.591 0.972 0.708 CB 1.643 73 residues pruned to eliminate duplicates Z: 22 33.782 2.217 0.359 0.919 1.000 1.000 CA 1.723 22 residues pruned to eliminate duplicates Z: 15 22.152 2.201 0.918 0.605 0.786 0.571 CB 1.616 15 residues pruned to eliminate duplicates Z: 83 75.192 2.503 0.903 0.581 0.927 0.707 CB 1.741 83 residues pruned to eliminate duplicates Z: 26 26.226 1.984 0.614 0.687 0.960 0.760 CB 1.437 26 residues pruned to eliminate duplicates Z: 17 22.626 1.799 0.696 0.887 1.000 0.875 CB 1.337 17 residues pruned to eliminate duplicates Z: 12 42.984 2.356 1.073 0.923 1.000 0.818 CB 1.866 12 residues pruned to eliminate duplicates Z: 110 95.353 2.489 1.093 0.584 0.936 0.697 CB 1.729 110 residues pruned to eliminate duplicates Z: 23 33.336 2.169 0.504 0.902 0.955 0.818 CB 1.629 23 residues pruned to eliminate duplicates Z: 26 28.530 2.155 0.750 0.531 1.000 0.560 CB 1.467 26 residues pruned to eliminate duplicates Z: 16 12.892 1.712 0.749 0.552 0.800 0.600 CB 1.321 Z: 6 6.312 1.861 -0.117 0.804 1.000 0.800 CB 1.318 6 residues pruned to eliminate duplicates Z: 104 61.270 2.226 0.711 0.597 0.942 0.728 CB 1.535 104 residues pruned to eliminate duplicates Z: 34 26.565 2.305 0.743 0.440 0.848 0.667 CB 1.443 34 residues pruned to eliminate duplicates Z: 101 77.845 2.373 0.945 0.606 0.940 0.700 CB 1.622 101 residues pruned to eliminate duplicates Z: 16 18.366 1.870 0.562 0.869 0.867 0.733 CB 1.369 16 residues pruned to eliminate duplicates Z: 28 27.539 1.870 0.819 0.728 1.000 0.815 CB 1.269 28 residues pruned to eliminate duplicates Z: 63 43.645 2.165 0.880 0.544 0.919 0.677 CB 1.418 63 residues pruned to eliminate duplicates Z: 102 69.821 2.352 0.796 0.571 0.931 0.673 CB 1.651 102 residues pruned to eliminate duplicates Z: 16 22.119 1.857 0.741 0.870 0.933 0.600 CB 1.381 16 residues pruned to eliminate duplicates Z: 69 74.850 2.510 0.898 0.624 0.956 0.662 CB 1.774 69 residues pruned to eliminate duplicates Z: 6 7.534 1.863 0.038 0.837 1.000 1.000 CB 1.303 6 residues pruned to eliminate duplicates Z: 15 11.403 1.781 0.531 0.565 0.857 0.786 CB 1.224 Z: 6 3.746 1.357 0.409 0.538 0.800 0.400 C 1.055 6 residues pruned to eliminate duplicates Z: 10 20.479 2.102 1.007 0.701 1.000 0.778 CB 1.348 10 residues pruned to eliminate duplicates Z: 17 12.616 1.817 0.666 0.455 0.812 0.688 CB 1.343 17 residues pruned to eliminate duplicates Z: 176 106.048 2.426 0.920 0.594 0.914 0.691 CB 1.721 176 residues pruned to eliminate duplicates Z: 7 10.519 1.589 0.581 0.847 1.000 1.000 CA 1.269 7 residues pruned to eliminate duplicates Z: 7 7.757 1.797 0.582 0.483 0.833 0.500 C 1.360 7 residues pruned to eliminate duplicates Z: 22 34.449 2.170 0.446 0.923 1.000 0.810 CB 1.684 22 residues pruned to eliminate duplicates Z: 154 103.030 2.434 0.948 0.604 0.928 0.699 CB 1.714 154 residues pruned to eliminate duplicates Z: 38 23.702 1.946 0.767 0.495 0.919 0.622 CB 1.239 38 residues pruned to eliminate duplicates Z: 67 68.587 2.469 0.902 0.608 0.924 0.697 CB 1.755 67 residues pruned to eliminate duplicates Z: 152 107.384 2.453 0.938 0.619 0.940 0.728 CB 1.747 152 residues pruned to eliminate duplicates Z: 84 63.308 2.299 0.940 0.597 0.928 0.663 CB 1.531 84 residues pruned to eliminate duplicates Z: 83 84.924 2.513 1.109 0.615 0.939 0.720 CB 1.690 83 residues pruned to eliminate duplicates Z: 22 29.090 2.270 0.732 0.592 0.952 0.619 CB 1.553 22 residues pruned to eliminate duplicates Z: 19 26.749 1.879 1.141 0.552 1.000 0.667 CA 1.489 19 residues pruned to eliminate duplicates Z: 21 57.833 2.389 1.208 0.961 1.000 0.800 CB 1.679 21 residues pruned to eliminate duplicates Z: 7 11.704 1.997 0.872 0.555 0.833 0.500 CA 1.454 7 residues pruned to eliminate duplicates Z: 21 47.280 2.354 0.893 0.954 1.000 0.850 CB 1.632 21 residues pruned to eliminate duplicates Z: 82 48.864 2.166 0.816 0.529 0.926 0.605 CB 1.449 82 residues pruned to eliminate duplicates Z: 74 67.133 2.428 0.854 0.607 0.945 0.699 CB 1.668 74 residues pruned to eliminate duplicates Z: 19 49.621 2.344 1.021 0.937 1.000 0.889 CB 1.718 19 residues pruned to eliminate duplicates Z: 31 41.089 2.273 1.120 0.601 0.933 0.767 CB 1.516 31 residues pruned to eliminate duplicates Z: 11 44.434 2.468 0.986 0.931 1.000 0.900 CB 2.004 11 residues pruned to eliminate duplicates Z: 79 62.365 2.337 0.963 0.573 0.910 0.641 CB 1.577 79 residues pruned to eliminate duplicates Z: 58 50.422 2.261 0.880 0.617 0.912 0.684 CB 1.543 58 residues pruned to eliminate duplicates Z: 16 12.709 1.598 0.536 0.881 0.867 0.600 CB 1.117 Z: 7 8.775 2.002 0.817 0.581 0.667 0.500 CB 1.367 7 residues pruned to eliminate duplicates Z: 22 32.181 2.168 0.432 0.932 1.000 0.905 CB 1.580 22 residues pruned to eliminate duplicates Z: 7 12.867 2.104 0.576 0.495 1.000 0.667 CA 1.593 7 residues pruned to eliminate duplicates Z: 7 8.830 1.633 0.693 0.711 1.000 0.833 CB 1.077 7 residues pruned to eliminate duplicates Z: 68 74.582 2.404 0.915 0.676 0.940 0.746 CB 1.790 68 residues pruned to eliminate duplicates Z: 16 18.724 1.814 0.746 0.883 0.800 0.600 CB 1.380 16 residues pruned to eliminate duplicates Z: 26 24.319 2.034 0.940 0.592 0.880 0.600 CB 1.283 26 residues pruned to eliminate duplicates Z: 13 9.875 1.899 0.423 0.516 0.917 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 10 13.408 1.890 0.596 0.476 1.000 0.667 CB 1.518 10 residues pruned to eliminate duplicates Z: 6 7.080 1.920 -0.004 0.810 1.000 1.000 CA 1.264 6 residues pruned to eliminate duplicates Z: 64 75.767 2.515 1.151 0.611 0.905 0.651 CB 1.756 64 residues pruned to eliminate duplicates Z: 48 39.995 2.153 0.875 0.546 0.915 0.723 CB 1.511 48 residues pruned to eliminate duplicates Z: 101 77.050 2.353 1.004 0.595 0.940 0.750 CB 1.588 101 residues pruned to eliminate duplicates Z: 23 29.138 2.260 0.744 0.556 0.909 0.636 CB 1.642 23 residues pruned to eliminate duplicates Z: 47 49.466 2.237 0.662 0.695 0.957 0.783 CB 1.716 47 residues pruned to eliminate duplicates Z: 73 73.019 2.421 1.207 0.581 0.875 0.681 CB 1.702 73 residues pruned to eliminate duplicates Z: 9 9.422 1.837 0.803 0.698 0.750 0.750 CB 1.119 9 residues pruned to eliminate duplicates Z: 7 6.751 1.885 -0.009 0.570 1.000 0.833 O 1.379 Z: 110 73.647 2.288 0.957 0.574 0.936 0.642 CB 1.567 110 residues pruned to eliminate duplicates Z: 47 51.830 2.262 0.719 0.703 0.935 0.826 CB 1.747 47 residues pruned to eliminate duplicates Z: 154 107.938 2.422 1.016 0.623 0.928 0.725 CB 1.715 154 residues pruned to eliminate duplicates Z: 49 42.126 2.220 0.810 0.508 0.938 0.583 CB 1.601 49 residues pruned to eliminate duplicates Z: 62 43.992 2.146 0.846 0.572 0.934 0.754 CB 1.419 62 residues pruned to eliminate duplicates Z: 81 45.967 2.170 0.772 0.524 0.887 0.663 CB 1.471 81 residues pruned to eliminate duplicates Z: 32 33.945 2.194 0.809 0.567 0.935 0.645 CB 1.540 32 residues pruned to eliminate duplicates Z: 16 15.661 1.657 0.540 0.893 1.000 0.800 CB 1.138 16 residues pruned to eliminate duplicates Z: 102 78.743 2.355 0.999 0.581 0.950 0.703 CB 1.620 102 residues pruned to eliminate duplicates Z: 21 46.286 2.458 0.944 0.925 1.000 0.800 CB 1.520 21 residues pruned to eliminate duplicates Z: 121 93.955 2.466 1.053 0.572 0.933 0.667 CB 1.693 121 residues pruned to eliminate duplicates Z: 24 37.757 2.371 0.804 0.597 0.957 0.739 CB 1.754 24 residues pruned to eliminate duplicates Z: 16 18.216 1.855 0.574 0.878 0.933 0.800 CB 1.253 16 residues pruned to eliminate duplicates Z: 6 7.389 1.683 0.333 0.735 1.000 0.800 C 1.193 6 residues pruned to eliminate duplicates Z: 8 2.469 1.653 0.024 0.605 1.000 0.571 CB 0.499 Z: 57 54.488 2.247 0.859 0.643 0.982 0.661 CB 1.553 57 residues pruned to eliminate duplicates Z: 22 41.592 2.424 1.059 0.590 0.905 0.714 CB 1.844 22 residues pruned to eliminate duplicates Z: 10 12.542 1.659 0.641 0.649 1.000 0.667 CB 1.336 9 residues pruned to eliminate duplicates Z: 22 39.700 2.238 0.607 0.924 1.000 0.905 CB 1.692 22 residues pruned to eliminate duplicates Z: 12 20.691 2.254 0.751 0.656 0.909 0.909 CB 1.503 12 residues pruned to eliminate duplicates Z: 11 28.603 2.358 0.897 0.707 0.900 0.800 CB 1.861 11 residues pruned to eliminate duplicates Z: 31 26.998 2.069 0.795 0.552 0.933 0.667 CB 1.351 31 residues pruned to eliminate duplicates Z: 72 50.745 2.301 0.951 0.552 0.873 0.648 CB 1.461 72 residues pruned to eliminate duplicates Z: 31 38.890 2.141 0.944 0.715 0.967 0.767 CB 1.452 31 residues pruned to eliminate duplicates Z: 16 18.429 1.815 0.692 0.917 1.000 0.800 CB 1.093 16 residues pruned to eliminate duplicates Z: 22 37.581 2.134 0.717 0.929 1.000 0.762 CB 1.567 22 residues pruned to eliminate duplicates Z: 16 39.961 2.355 1.189 0.665 0.933 0.800 CB 1.841 16 residues pruned to eliminate duplicates Z: 6 6.296 1.540 0.496 0.786 1.000 0.800 N 0.951 6 residues pruned to eliminate duplicates Z: 12 16.656 1.890 1.175 0.681 0.818 0.727 CB 1.264 12 residues pruned to eliminate duplicates Z: 6 6.754 1.565 0.341 0.824 1.000 0.800 C 1.087 6 residues pruned to eliminate duplicates Z: 16 19.164 1.840 0.583 0.886 0.933 0.867 CB 1.313 16 residues pruned to eliminate duplicates Z: 32 31.198 2.142 0.890 0.650 0.903 0.806 CB 1.333 32 residues pruned to eliminate duplicates Z: 25 28.998 2.024 0.673 0.703 0.958 0.750 CB 1.516 25 residues pruned to eliminate duplicates Z: 22 34.344 2.195 0.672 0.907 0.905 0.810 CB 1.604 22 residues pruned to eliminate duplicates Z: 32 32.711 2.153 0.947 0.596 0.903 0.613 CB 1.415 32 residues pruned to eliminate duplicates Z: 97 76.443 2.345 0.909 0.607 0.938 0.677 CB 1.679 97 residues pruned to eliminate duplicates Z: 32 38.947 2.377 0.982 0.482 0.935 0.581 CB 1.616 32 residues pruned to eliminate duplicates Z: 22 54.581 2.311 1.276 0.939 1.000 0.667 CB 1.574 22 residues pruned to eliminate duplicates Z: 21 40.842 2.500 0.514 0.945 1.000 0.900 CB 1.670 21 residues pruned to eliminate duplicates Z: 45 42.118 2.168 0.675 0.669 0.932 0.750 CB 1.605 45 residues pruned to eliminate duplicates Z: 15 16.386 2.211 0.667 0.464 0.857 0.500 CB 1.437 15 residues pruned to eliminate duplicates Z: 43 49.051 2.250 0.834 0.685 0.952 0.738 CB 1.625 43 residues pruned to eliminate duplicates Z: 67 62.924 2.310 1.026 0.612 0.955 0.636 CB 1.559 67 residues pruned to eliminate duplicates Z: 50 43.027 2.355 0.872 0.482 0.898 0.612 CB 1.582 50 residues pruned to eliminate duplicates Z: 12 19.654 2.215 0.972 0.659 0.909 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 22 52.204 2.300 1.226 0.946 1.000 0.667 CB 1.539 22 residues pruned to eliminate duplicates Z: 43 33.236 2.208 0.734 0.457 0.881 0.619 CB 1.589 43 residues pruned to eliminate duplicates Z: 16 12.022 1.619 0.270 0.883 1.000 0.800 CB 1.092 16 residues pruned to eliminate duplicates Z: 16 15.212 1.639 0.479 0.916 1.000 0.933 CB 1.144 16 residues pruned to eliminate duplicates Z: 45 61.500 2.559 0.864 0.651 0.932 0.773 CB 1.813 45 residues pruned to eliminate duplicates Z: 13 8.690 1.733 0.470 0.568 0.833 0.500 CB 1.106 13 residues pruned to eliminate duplicates Z: 7 2.422 1.670 -0.186 0.442 0.833 0.500 CB 0.927 Z: 37 42.685 2.396 0.922 0.499 0.917 0.639 CB 1.686 37 residues pruned to eliminate duplicates Z: 17 12.057 1.642 0.507 0.517 0.938 0.500 CB 1.278 17 residues pruned to eliminate duplicates Z: 26 28.765 1.985 0.674 0.720 0.960 0.840 CB 1.479 26 residues pruned to eliminate duplicates Z: 57 73.411 2.517 1.031 0.637 0.964 0.714 CB 1.750 57 residues pruned to eliminate duplicates Z: 9 13.981 1.798 0.916 0.840 1.000 0.625 CA 1.071 9 residues pruned to eliminate duplicates Z: 14 19.673 2.247 0.866 0.436 0.923 0.538 CB 1.506 14 residues pruned to eliminate duplicates Z: 9 11.198 2.083 0.403 0.590 0.750 0.750 CA 1.657 9 residues pruned to eliminate duplicates Z: 27 33.704 2.251 0.802 0.588 0.885 0.692 CB 1.693 27 residues pruned to eliminate duplicates Z: 29 27.511 1.865 0.650 0.744 1.000 0.821 CB 1.358 29 residues pruned to eliminate duplicates Z: 21 41.971 2.478 0.565 0.929 1.000 0.850 CB 1.693 21 residues pruned to eliminate duplicates Z: 59 49.556 2.292 0.894 0.512 0.931 0.724 CB 1.591 59 residues pruned to eliminate duplicates Z: 102 78.404 2.357 0.973 0.591 0.950 0.673 CB 1.617 102 residues pruned to eliminate duplicates Z: 16 13.024 1.656 0.303 0.883 1.000 0.867 CB 1.127 16 residues pruned to eliminate duplicates Z: 25 24.353 2.095 0.721 0.624 0.917 0.708 CB 1.339 25 residues pruned to eliminate duplicates Z: 12 9.277 1.690 0.382 0.546 0.909 0.636 CA 1.260 12 residues pruned to eliminate duplicates Z: 16 11.521 1.646 0.239 0.871 1.000 0.800 CB 1.064 16 residues pruned to eliminate duplicates Z: 38 35.711 2.175 0.565 0.583 0.973 0.676 CB 1.636 38 residues pruned to eliminate duplicates Z: 65 39.085 2.128 0.746 0.540 0.906 0.719 CB 1.395 65 residues pruned to eliminate duplicates Z: 30 27.124 2.214 0.710 0.417 0.897 0.552 CB 1.618 30 residues pruned to eliminate duplicates Z: 23 35.204 2.306 0.913 0.559 0.955 0.545 CB 1.683 23 residues pruned to eliminate duplicates Z: 22 22.236 2.182 0.773 0.512 0.905 0.762 CB 1.371 22 residues pruned to eliminate duplicates Z: 59 70.726 2.434 1.078 0.643 0.948 0.741 CB 1.694 59 residues pruned to eliminate duplicates Z: 25 30.015 2.245 0.724 0.552 0.917 0.625 CB 1.640 25 residues pruned to eliminate duplicates Z: 6 3.462 1.737 -0.185 0.681 0.800 0.800 CB 1.158 5 residues pruned to eliminate duplicates Z: 26 24.650 2.126 0.640 0.546 0.920 0.680 CB 1.469 26 residues pruned to eliminate duplicates Z: 72 50.168 2.205 0.922 0.506 0.930 0.620 CB 1.503 72 residues pruned to eliminate duplicates Z: 102 76.087 2.339 0.984 0.583 0.931 0.663 CB 1.619 102 residues pruned to eliminate duplicates Z: 39 47.871 2.427 0.926 0.580 0.947 0.684 CB 1.625 39 residues pruned to eliminate duplicates Z: 47 53.573 2.293 1.071 0.632 0.935 0.652 CB 1.573 47 residues pruned to eliminate duplicates Z: 48 62.055 2.523 0.899 0.618 0.936 0.702 CB 1.805 48 residues pruned to eliminate duplicates Z: 30 43.568 2.395 0.914 0.594 0.931 0.690 CB 1.733 30 residues pruned to eliminate duplicates Z: 6 13.309 1.778 0.997 0.782 1.000 0.600 CA 1.307 6 residues pruned to eliminate duplicates Z: 8 12.614 1.828 0.974 0.657 0.857 0.286 CA 1.333 8 residues pruned to eliminate duplicates Z: 12 11.486 2.027 0.433 0.611 0.909 0.727 CB 1.181 12 residues pruned to eliminate duplicates Z: 26 28.563 1.990 0.619 0.709 0.960 0.760 CB 1.527 26 residues pruned to eliminate duplicates Z: 11 22.293 2.008 0.894 0.914 0.900 0.800 CB 1.457 11 residues pruned to eliminate duplicates Z: 9 3.623 1.535 0.313 0.235 0.750 0.250 CB 1.155 Z: 25 28.110 2.099 0.753 0.560 0.958 0.708 CB 1.535 25 residues pruned to eliminate duplicates Z: 20 50.432 2.362 1.096 0.957 1.000 0.632 CB 1.604 20 residues pruned to eliminate duplicates Z: 10 3.405 1.696 -0.211 0.553 0.889 0.667 CB 0.906 9 residues pruned to eliminate duplicates Z: 6 3.127 1.860 -0.302 0.423 1.000 0.800 CB 1.168 6 residues pruned to eliminate duplicates Z: 15 12.570 1.706 0.213 0.896 1.000 0.786 CB 1.164 15 residues pruned to eliminate duplicates Z: 16 18.961 1.868 0.577 0.879 0.933 0.667 CB 1.292 15 residues pruned to eliminate duplicates Z: 48 56.986 2.274 0.773 0.728 0.957 0.766 CB 1.754 48 residues pruned to eliminate duplicates Z: 32 40.682 2.245 0.572 0.789 0.968 0.839 CB 1.660 32 residues pruned to eliminate duplicates Z: 84 78.090 2.379 0.968 0.646 0.928 0.759 CB 1.722 84 residues pruned to eliminate duplicates Z: 16 15.833 1.982 0.785 0.389 0.867 0.600 CB 1.500 16 residues pruned to eliminate duplicates Z: 23 34.665 2.164 0.527 0.908 1.000 0.818 CB 1.589 23 residues pruned to eliminate duplicates Z: 57 73.994 2.509 1.094 0.618 0.929 0.714 CB 1.812 57 residues pruned to eliminate duplicates Z: 20 58.623 2.434 1.219 0.879 1.000 0.842 CB 1.806 20 residues pruned to eliminate duplicates Z: 17 21.806 1.811 0.719 0.880 1.000 0.875 CB 1.269 17 residues pruned to eliminate duplicates Z: 105 69.563 2.348 0.798 0.564 0.894 0.625 CB 1.698 105 residues pruned to eliminate duplicates Z: 83 66.646 2.335 0.909 0.584 0.951 0.707 CB 1.601 83 residues pruned to eliminate duplicates Z: 22 45.131 2.447 0.952 0.659 0.905 0.762 CB 1.966 22 residues pruned to eliminate duplicates Z: 76 65.408 2.371 0.827 0.576 0.933 0.693 CB 1.736 76 residues pruned to eliminate duplicates Z: 29 26.896 1.874 0.610 0.725 1.000 0.786 CB 1.376 29 residues pruned to eliminate duplicates Z: 18 22.799 1.820 0.660 0.847 1.000 0.882 CB 1.359 18 residues pruned to eliminate duplicates Z: 10 18.940 2.367 0.621 0.546 0.889 0.444 CB 1.770 10 residues pruned to eliminate duplicates Z: 21 42.555 2.252 0.832 0.918 1.000 0.800 CB 1.627 23 residues pruned to eliminate duplicates Z: 20 31.428 2.402 0.877 0.454 1.000 0.632 CB 1.676 20 residues pruned to eliminate duplicates Z: 8 7.979 1.932 1.057 0.870 1.000 0.857 CB 0.554 Z: 6 5.264 2.047 0.168 0.383 1.000 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 6 10.613 1.949 0.607 0.760 0.800 0.400 CA 1.503 6 residues pruned to eliminate duplicates Z: 31 31.966 2.305 0.827 0.533 0.900 0.667 CB 1.491 31 residues pruned to eliminate duplicates Z: 18 36.115 2.284 1.136 0.643 0.941 0.765 CB 1.669 18 residues pruned to eliminate duplicates Z: 13 9.622 1.742 0.875 0.567 0.833 0.500 CB 0.956 13 residues pruned to eliminate duplicates Z: 60 62.932 2.436 1.041 0.522 0.915 0.712 CB 1.762 60 residues pruned to eliminate duplicates Z: 16 13.971 1.644 0.416 0.873 1.000 0.800 CB 1.128 16 residues pruned to eliminate duplicates Z: 79 60.546 2.343 0.991 0.504 0.936 0.679 CB 1.564 79 residues pruned to eliminate duplicates Z: 57 70.606 2.468 1.074 0.640 0.964 0.643 CB 1.676 57 residues pruned to eliminate duplicates Z: 13 11.399 1.798 1.032 0.539 0.750 0.667 CB 1.156 13 residues pruned to eliminate duplicates Z: 145 99.645 2.390 0.962 0.617 0.938 0.701 CB 1.691 145 residues pruned to eliminate duplicates Z: 68 44.046 2.113 0.886 0.537 0.940 0.657 CB 1.385 68 residues pruned to eliminate duplicates Z: 13 15.137 1.867 0.830 0.484 0.917 0.583 CB 1.418 13 residues pruned to eliminate duplicates Z: 10 5.901 1.671 0.351 0.419 0.778 0.556 CB 1.219 10 residues pruned to eliminate duplicates Z: 16 12.346 1.612 0.301 0.912 1.000 1.000 CB 1.076 16 residues pruned to eliminate duplicates Z: 21 16.276 2.033 0.575 0.472 0.900 0.600 CB 1.300 21 residues pruned to eliminate duplicates Z: 107 78.845 2.346 0.889 0.585 0.934 0.689 CB 1.705 107 residues pruned to eliminate duplicates Z: 22 33.487 2.278 0.870 0.567 0.952 0.571 CB 1.688 22 residues pruned to eliminate duplicates Z: 88 62.308 2.314 0.895 0.555 0.920 0.644 CB 1.570 88 residues pruned to eliminate duplicates Z: 110 71.105 2.315 0.866 0.556 0.945 0.688 CB 1.580 110 residues pruned to eliminate duplicates Z: 22 44.472 2.539 0.839 0.880 0.905 0.762 CB 1.665 22 residues pruned to eliminate duplicates Z: 9 18.723 2.266 0.834 0.476 1.000 0.500 CB 1.631 9 residues pruned to eliminate duplicates Z: 14 21.609 2.085 1.016 0.649 0.923 0.846 CB 1.345 14 residues pruned to eliminate duplicates Z: 6 2.575 1.589 0.282 0.334 0.800 0.600 CB 0.847 Z: 7 11.361 2.073 0.355 0.814 1.000 0.833 CB 1.258 7 residues pruned to eliminate duplicates Z: 6 13.616 1.927 0.749 0.743 1.000 1.000 CA 1.453 6 residues pruned to eliminate duplicates Z: 6 5.845 1.536 0.265 0.620 1.000 0.800 O 1.202 6 residues pruned to eliminate duplicates Z: 8 2.745 1.259 0.857 0.247 0.714 0.286 O 0.832 Z: 49 45.754 2.396 0.832 0.494 0.938 0.646 CB 1.614 49 residues pruned to eliminate duplicates Z: 83 54.159 2.199 0.769 0.592 0.902 0.671 CB 1.560 83 residues pruned to eliminate duplicates 6 0.688 1.812 -0.011 0.597 1.000 0.800 CB 0.156 ? Z: 7 5.417 1.743 -0.037 0.613 1.000 0.667 CB 1.184 6 residues pruned to eliminate duplicates Z: 8 2.732 1.598 -0.275 0.471 0.857 0.571 CB 1.070 8 residues pruned to eliminate duplicates Z: 16 13.234 1.624 0.468 0.868 1.000 0.667 CB 1.048 16 residues pruned to eliminate duplicates Z: 16 20.621 1.831 0.655 0.882 0.933 0.867 CB 1.362 16 residues pruned to eliminate duplicates Z: 6 8.140 1.815 0.148 0.833 1.000 0.800 O 1.311 6 residues pruned to eliminate duplicates Z: 22 38.364 2.342 0.570 0.924 1.000 0.952 CB 1.599 22 residues pruned to eliminate duplicates Z: 9 3.740 1.898 -0.088 0.214 0.875 0.375 CB 1.222 9 residues pruned to eliminate duplicates Z: 16 18.921 1.853 0.422 0.875 1.000 0.733 CB 1.349 16 residues pruned to eliminate duplicates Z: 12 7.991 1.673 0.377 0.559 0.818 0.455 CB 1.207 13 residues pruned to eliminate duplicates Z: 12 13.308 1.956 0.404 0.702 1.000 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 10 15.505 2.242 0.744 0.381 0.889 0.556 CB 1.687 10 residues pruned to eliminate duplicates Z: 6 6.305 1.720 -0.005 0.839 1.000 0.800 CB 1.230 Z: 10 18.923 2.269 1.291 0.833 0.778 0.556 CB 1.170 10 residues pruned to eliminate duplicates Z: 44 60.460 2.512 0.985 0.637 0.930 0.791 CB 1.748 44 residues pruned to eliminate duplicates Z: 107 66.688 2.176 0.894 0.605 0.943 0.651 CB 1.508 107 residues pruned to eliminate duplicates Z: 12 14.114 1.874 0.681 0.571 0.909 0.818 CB 1.387 12 residues pruned to eliminate duplicates Z: 108 69.789 2.292 0.957 0.563 0.916 0.682 CB 1.545 108 residues pruned to eliminate duplicates Z: 82 77.187 2.480 1.000 0.574 0.926 0.679 CB 1.739 82 residues pruned to eliminate duplicates Z: 73 39.318 2.079 0.670 0.513 0.931 0.597 CB 1.415 73 residues pruned to eliminate duplicates Z: 31 28.707 2.308 0.693 0.432 0.867 0.600 CB 1.661 31 residues pruned to eliminate duplicates Z: 101 73.344 2.358 0.947 0.573 0.930 0.660 CB 1.601 101 residues pruned to eliminate duplicates Z: 12 15.214 2.185 0.730 0.638 1.000 0.727 CB 1.066 12 residues pruned to eliminate duplicates Z: 10 27.582 2.407 0.613 0.928 1.000 0.889 CB 1.659 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 105 94.356 2.524 1.025 0.596 0.942 0.644 CB 1.752 105 residues pruned to eliminate duplicates Z: 10 14.120 2.118 0.603 0.543 0.889 0.778 CA 1.496 10 residues pruned to eliminate duplicates Z: 84 80.910 2.503 0.959 0.583 0.964 0.723 CB 1.735 84 residues pruned to eliminate duplicates Z: 151 114.201 2.475 0.969 0.633 0.947 0.740 CB 1.785 151 residues pruned to eliminate duplicates Z: 68 77.079 2.532 0.896 0.614 0.970 0.716 CB 1.816 68 residues pruned to eliminate duplicates Z: 26 36.780 2.297 0.819 0.555 0.960 0.560 CB 1.738 26 residues pruned to eliminate duplicates Z: 78 66.744 2.433 0.827 0.592 0.935 0.662 CB 1.676 78 residues pruned to eliminate duplicates Z: 153 109.039 2.453 0.912 0.619 0.954 0.704 CB 1.765 153 residues pruned to eliminate duplicates Z: 74 67.039 2.448 0.878 0.583 0.918 0.658 CB 1.718 74 residues pruned to eliminate duplicates Z: 24 34.348 2.332 0.972 0.569 0.870 0.609 CB 1.676 24 residues pruned to eliminate duplicates Z: 83 76.368 2.468 0.949 0.574 0.915 0.646 CB 1.785 83 residues pruned to eliminate duplicates Z: 70 71.644 2.498 0.861 0.611 0.942 0.710 CB 1.772 70 residues pruned to eliminate duplicates Z: 68 72.669 2.526 0.840 0.617 0.955 0.642 CB 1.790 68 residues pruned to eliminate duplicates Z: 57 68.316 2.500 0.918 0.665 0.929 0.786 CB 1.760 57 residues pruned to eliminate duplicates Z: 70 71.301 2.508 0.918 0.581 0.928 0.667 CB 1.779 70 residues pruned to eliminate duplicates Z: 153 110.221 2.443 0.976 0.618 0.947 0.724 CB 1.748 153 residues pruned to eliminate duplicates Z: 50 70.173 2.521 1.004 0.691 0.939 0.735 CB 1.775 50 residues pruned to eliminate duplicates Z: 69 72.225 2.496 0.889 0.618 0.926 0.750 CB 1.793 69 residues pruned to eliminate duplicates Z: 71 66.618 2.467 0.877 0.581 0.914 0.714 CB 1.740 71 residues pruned to eliminate duplicates Z: 154 108.730 2.433 0.929 0.626 0.954 0.771 CB 1.743 154 residues pruned to eliminate duplicates Z: 58 68.343 2.521 0.867 0.632 0.947 0.772 CB 1.794 58 residues pruned to eliminate duplicates Z: 86 73.300 2.460 0.935 0.582 0.906 0.729 CB 1.705 86 residues pruned to eliminate duplicates Z: 155 102.907 2.423 0.887 0.613 0.942 0.714 CB 1.731 155 residues pruned to eliminate duplicates Z: 66 72.703 2.533 0.938 0.602 0.923 0.754 CB 1.806 66 residues pruned to eliminate duplicates Z: 154 107.703 2.442 0.965 0.623 0.928 0.725 CB 1.741 154 residues pruned to eliminate duplicates Z: 154 107.367 2.445 0.932 0.632 0.935 0.719 CB 1.737 154 residues pruned to eliminate duplicates Z: 69 68.550 2.509 0.856 0.593 0.912 0.735 CB 1.791 69 residues pruned to eliminate duplicates Z: 70 71.417 2.491 0.910 0.598 0.928 0.681 CB 1.774 70 residues pruned to eliminate duplicates Z: 71 68.708 2.469 0.876 0.605 0.929 0.671 CB 1.728 71 residues pruned to eliminate duplicates Z: 155 107.771 2.441 0.970 0.619 0.935 0.747 CB 1.726 155 residues pruned to eliminate duplicates Z: 30 59.428 2.544 0.954 0.768 0.966 0.862 CB 1.812 30 residues pruned to eliminate duplicates Z: 57 57.388 2.409 0.996 0.562 0.911 0.571 CB 1.649 57 residues pruned to eliminate duplicates Z: 153 110.009 2.446 0.982 0.623 0.941 0.704 CB 1.742 153 residues pruned to eliminate duplicates Z: 43 67.954 2.570 1.082 0.631 0.976 0.643 CB 1.775 43 residues pruned to eliminate duplicates Z: 53 67.825 2.471 0.961 0.630 0.981 0.654 CB 1.752 53 residues pruned to eliminate duplicates Z: 129 104.836 2.456 1.008 0.632 0.938 0.727 CB 1.770 129 residues pruned to eliminate duplicates Z: 69 77.841 2.513 1.035 0.603 0.941 0.706 CB 1.779 69 residues pruned to eliminate duplicates Z: 154 108.610 2.442 0.952 0.630 0.935 0.699 CB 1.744 154 residues pruned to eliminate duplicates Z: 71 72.234 2.453 1.051 0.593 0.914 0.686 CB 1.717 71 residues pruned to eliminate duplicates Z: 100 88.591 2.502 1.045 0.584 0.929 0.697 CB 1.728 100 residues pruned to eliminate duplicates Z: 69 77.621 2.497 1.052 0.599 0.941 0.647 CB 1.776 69 residues pruned to eliminate duplicates Z: 153 107.657 2.442 0.990 0.622 0.928 0.671 CB 1.727 153 residues pruned to eliminate duplicates Z: 67 79.838 2.536 1.131 0.599 0.924 0.712 CB 1.789 67 residues pruned to eliminate duplicates Z: 151 111.640 2.462 0.982 0.624 0.953 0.720 CB 1.743 151 residues pruned to eliminate duplicates Z: 155 108.566 2.427 1.001 0.604 0.935 0.675 CB 1.744 155 residues pruned to eliminate duplicates Z: 83 80.262 2.424 0.944 0.645 0.939 0.756 CB 1.749 83 residues pruned to eliminate duplicates Z: 175 114.437 2.436 0.989 0.608 0.937 0.707 CB 1.726 175 residues pruned to eliminate duplicates Z: 7 6.259 1.685 0.726 0.275 0.833 0.667 N 1.359 7 residues pruned to eliminate duplicates Z: 129 102.263 2.444 0.967 0.624 0.961 0.734 CB 1.741 129 residues pruned to eliminate duplicates Z: 154 102.031 2.423 0.899 0.612 0.935 0.680 CB 1.725 154 residues pruned to eliminate duplicates Z: 31 49.656 2.521 1.162 0.614 0.900 0.700 CB 1.659 31 residues pruned to eliminate duplicates Z: 73 70.943 2.340 0.885 0.648 0.944 0.764 CB 1.749 73 residues pruned to eliminate duplicates Z: 86 75.989 2.354 0.914 0.645 0.941 0.729 CB 1.697 86 residues pruned to eliminate duplicates Z: 105 86.360 2.402 0.957 0.604 0.952 0.663 CB 1.715 105 residues pruned to eliminate duplicates Z: 108 86.333 2.478 0.987 0.573 0.925 0.692 CB 1.707 108 residues pruned to eliminate duplicates Z: 85 74.385 2.407 0.876 0.615 0.929 0.726 CB 1.736 85 residues pruned to eliminate duplicates Z: 87 73.809 2.311 0.973 0.628 0.942 0.698 CB 1.643 87 residues pruned to eliminate duplicates Z: 86 70.372 2.370 0.868 0.612 0.929 0.718 CB 1.669 86 residues pruned to eliminate duplicates Z: 153 111.315 2.454 0.962 0.624 0.954 0.743 CB 1.749 153 residues pruned to eliminate duplicates Z: 130 99.208 2.409 1.029 0.622 0.946 0.752 CB 1.683 130 residues pruned to eliminate duplicates Z: 114 96.879 2.502 1.116 0.569 0.938 0.690 CB 1.716 114 residues pruned to eliminate duplicates Z: 85 73.076 2.401 0.934 0.604 0.917 0.750 CB 1.697 85 residues pruned to eliminate duplicates Z: 85 75.287 2.390 0.889 0.612 0.952 0.726 CB 1.718 85 residues pruned to eliminate duplicates Z: 21 33.491 2.443 1.236 0.526 0.850 0.650 CB 1.572 21 residues pruned to eliminate duplicates Z: 39 46.309 2.429 1.093 0.492 0.921 0.605 CB 1.617 39 residues pruned to eliminate duplicates Z: 88 73.366 2.368 0.897 0.593 0.943 0.667 CB 1.699 88 residues pruned to eliminate duplicates Z: 85 76.515 2.388 0.923 0.634 0.929 0.738 CB 1.726 85 residues pruned to eliminate duplicates Z: 68 69.323 2.364 0.842 0.675 0.955 0.791 CB 1.733 68 residues pruned to eliminate duplicates Z: 154 107.393 2.428 1.031 0.606 0.922 0.686 CB 1.727 154 residues pruned to eliminate duplicates Z: 154 107.925 2.433 0.969 0.617 0.941 0.693 CB 1.733 154 residues pruned to eliminate duplicates Z: 130 97.515 2.427 0.964 0.624 0.930 0.721 CB 1.722 130 residues pruned to eliminate duplicates Z: 55 57.664 2.280 0.835 0.651 0.944 0.741 CB 1.724 55 residues pruned to eliminate duplicates Z: 52 57.677 2.367 0.748 0.631 0.961 0.765 CB 1.796 52 residues pruned to eliminate duplicates Z: 85 80.350 2.384 1.040 0.622 0.940 0.702 CB 1.709 85 residues pruned to eliminate duplicates Z: 152 106.865 2.453 1.005 0.595 0.927 0.709 CB 1.741 152 residues pruned to eliminate duplicates Z: 155 112.445 2.435 1.015 0.622 0.948 0.747 CB 1.736 155 residues pruned to eliminate duplicates Z: 54 60.917 2.315 0.840 0.661 0.962 0.792 CB 1.758 54 residues pruned to eliminate duplicates Z: 86 74.895 2.392 0.963 0.598 0.918 0.729 CB 1.717 86 residues pruned to eliminate duplicates Z: 49 51.537 2.276 0.696 0.671 0.938 0.812 CB 1.756 49 residues pruned to eliminate duplicates Z: 87 76.929 2.369 0.985 0.630 0.919 0.674 CB 1.700 87 residues pruned to eliminate duplicates Z: 88 77.781 2.378 0.842 0.660 0.931 0.770 CB 1.763 88 residues pruned to eliminate duplicates Z: 85 78.430 2.389 0.940 0.631 0.952 0.750 CB 1.715 85 residues pruned to eliminate duplicates Z: 154 112.553 2.442 0.992 0.624 0.954 0.725 CB 1.745 154 residues pruned to eliminate duplicates Z: 84 75.654 2.404 0.884 0.621 0.940 0.795 CB 1.739 84 residues pruned to eliminate duplicates Z: 49 47.744 2.229 0.685 0.673 0.917 0.750 CB 1.706 49 residues pruned to eliminate duplicates Z: 102 87.199 2.450 0.971 0.597 0.931 0.752 CB 1.760 102 residues pruned to eliminate duplicates Z: 85 82.124 2.376 0.990 0.629 0.964 0.750 CB 1.741 85 residues pruned to eliminate duplicates Z: 155 108.307 2.424 1.021 0.617 0.929 0.727 CB 1.718 155 residues pruned to eliminate duplicates Z: 152 109.851 2.464 0.978 0.606 0.947 0.728 CB 1.752 152 residues pruned to eliminate duplicates Z: 153 107.081 2.440 0.957 0.614 0.947 0.730 CB 1.723 153 residues pruned to eliminate duplicates Z: 131 99.971 2.437 0.996 0.616 0.938 0.746 CB 1.722 131 residues pruned to eliminate duplicates Z: 154 111.955 2.433 1.037 0.626 0.941 0.725 CB 1.724 154 residues pruned to eliminate duplicates Z: 153 106.331 2.442 0.982 0.608 0.928 0.730 CB 1.733 153 residues pruned to eliminate duplicates Z: 92 68.898 2.346 0.850 0.588 0.934 0.725 CB 1.637 92 residues pruned to eliminate duplicates Z: 130 101.528 2.416 1.041 0.641 0.938 0.682 CB 1.694 130 residues pruned to eliminate duplicates Z: 125 99.580 2.405 0.979 0.634 0.935 0.742 CB 1.771 125 residues pruned to eliminate duplicates Z: 48 47.132 2.264 0.566 0.668 0.957 0.766 CB 1.734 48 residues pruned to eliminate duplicates Z: 48 51.278 2.262 0.675 0.688 0.957 0.766 CB 1.736 48 residues pruned to eliminate duplicates Z: 49 54.288 2.234 0.793 0.703 0.938 0.812 CB 1.734 49 residues pruned to eliminate duplicates Z: 46 51.588 2.277 0.797 0.666 0.911 0.733 CB 1.769 46 residues pruned to eliminate duplicates Z: 105 86.094 2.386 1.009 0.590 0.933 0.692 CB 1.732 105 residues pruned to eliminate duplicates Z: 87 76.971 2.352 0.996 0.622 0.942 0.733 CB 1.673 87 residues pruned to eliminate duplicates Z: 106 81.771 2.399 0.963 0.571 0.924 0.667 CB 1.713 106 residues pruned to eliminate duplicates Z: 49 57.698 2.237 0.891 0.701 0.958 0.792 CB 1.711 49 residues pruned to eliminate duplicates Z: 86 77.137 2.367 1.018 0.602 0.929 0.753 CB 1.711 86 residues pruned to eliminate duplicates Z: 153 104.126 2.418 0.958 0.630 0.928 0.730 CB 1.701 153 residues pruned to eliminate duplicates Z: 127 84.803 2.366 0.943 0.570 0.913 0.706 CB 1.683 127 residues pruned to eliminate duplicates Z: 48 48.827 2.269 0.713 0.669 0.915 0.809 CB 1.714 48 residues pruned to eliminate duplicates Z: 84 84.206 2.451 0.889 0.662 0.964 0.759 CB 1.782 84 residues pruned to eliminate duplicates Z: 45 51.990 2.306 0.793 0.669 0.932 0.795 CB 1.740 45 residues pruned to eliminate duplicates Z: 154 111.274 2.441 1.007 0.614 0.954 0.745 CB 1.727 154 residues pruned to eliminate duplicates Z: 154 111.797 2.441 1.043 0.627 0.928 0.719 CB 1.733 154 residues pruned to eliminate duplicates Z: 86 75.556 2.364 0.956 0.618 0.941 0.682 CB 1.685 86 residues pruned to eliminate duplicates Z: 72 71.453 2.407 0.976 0.617 0.901 0.732 CB 1.770 72 residues pruned to eliminate duplicates Z: 45 58.218 2.356 0.786 0.702 0.955 0.818 CB 1.819 45 residues pruned to eliminate duplicates Z: 48 56.612 2.310 0.819 0.699 0.936 0.809 CB 1.751 48 residues pruned to eliminate duplicates Z: 47 52.325 2.297 0.721 0.695 0.935 0.783 CB 1.748 47 residues pruned to eliminate duplicates Z: 230 123.270 2.413 0.933 0.590 0.952 0.712 CB 1.683 230 residues pruned to eliminate duplicates Z: 26 30.422 2.217 0.950 0.507 0.880 0.560 CB 1.588 26 residues pruned to eliminate duplicates Z: 29 27.834 2.103 0.733 0.489 0.964 0.571 CB 1.514 29 residues pruned to eliminate duplicates Z: 26 29.708 2.195 0.811 0.494 0.960 0.600 CB 1.567 26 residues pruned to eliminate duplicates Z: 23 34.149 2.317 0.923 0.537 0.955 0.500 CB 1.650 23 residues pruned to eliminate duplicates Z: 25 29.492 2.197 0.876 0.500 0.917 0.500 CB 1.594 25 residues pruned to eliminate duplicates Z: 96 78.072 2.365 0.918 0.604 0.947 0.726 CB 1.689 96 residues pruned to eliminate duplicates Z: 26 28.919 2.166 0.764 0.497 0.960 0.520 CB 1.581 26 residues pruned to eliminate duplicates Z: 27 27.171 2.201 0.659 0.499 0.923 0.615 CB 1.583 27 residues pruned to eliminate duplicates Z: 26 29.820 2.192 0.696 0.526 0.960 0.640 CB 1.628 26 residues pruned to eliminate duplicates Z: 108 81.115 2.363 1.027 0.588 0.916 0.682 CB 1.642 108 residues pruned to eliminate duplicates Z: 27 27.650 2.177 0.872 0.521 0.885 0.577 CB 1.473 27 residues pruned to eliminate duplicates Z: 25 30.806 2.212 0.849 0.537 0.958 0.542 CB 1.547 25 residues pruned to eliminate duplicates Z: 26 31.092 2.225 0.729 0.536 0.960 0.560 CB 1.625 26 residues pruned to eliminate duplicates Z: 25 32.032 2.257 0.863 0.533 0.917 0.542 CB 1.643 25 residues pruned to eliminate duplicates Z: 26 31.397 2.227 0.729 0.540 0.960 0.600 CB 1.634 26 residues pruned to eliminate duplicates Z: 29 27.855 2.120 0.674 0.524 0.929 0.571 CB 1.560 29 residues pruned to eliminate duplicates Z: 23 32.414 2.306 0.739 0.573 0.955 0.773 CB 1.682 23 residues pruned to eliminate duplicates Z: 26 30.229 2.214 0.743 0.533 0.920 0.480 CB 1.648 26 residues pruned to eliminate duplicates Z: 26 28.456 2.167 0.750 0.497 0.960 0.640 CB 1.568 26 residues pruned to eliminate duplicates Z: 71 59.228 2.329 0.804 0.583 0.957 0.614 CB 1.626 71 residues pruned to eliminate duplicates Z: 28 29.392 2.119 0.920 0.487 0.926 0.667 CB 1.522 28 residues pruned to eliminate duplicates Z: 103 68.768 2.342 0.849 0.557 0.922 0.686 CB 1.614 103 residues pruned to eliminate duplicates Z: 86 60.709 2.332 0.821 0.573 0.918 0.682 CB 1.575 86 residues pruned to eliminate duplicates Z: 109 64.581 2.303 0.827 0.539 0.907 0.657 CB 1.567 50 residues pruned to eliminate duplicates Z: 7 8.330 1.627 0.984 0.500 1.000 0.333 CB 1.054 7 residues pruned to eliminate duplicates Z: 109 72.700 2.305 0.861 0.567 0.954 0.676 CB 1.603 109 residues pruned to eliminate duplicates Z: 25 40.273 2.412 0.587 0.852 1.000 0.958 CB 1.588 25 residues pruned to eliminate duplicates Z: 101 75.740 2.369 0.903 0.590 0.950 0.660 CB 1.622 101 residues pruned to eliminate duplicates Z: 20 49.096 2.587 0.624 0.936 1.000 0.947 CB 1.867 20 residues pruned to eliminate duplicates Z: 89 58.013 2.319 0.761 0.552 0.920 0.648 CB 1.563 89 residues pruned to eliminate duplicates Z: 96 70.289 2.309 0.982 0.573 0.916 0.642 CB 1.604 96 residues pruned to eliminate duplicates Z: 119 73.083 2.289 0.914 0.549 0.915 0.653 CB 1.600 119 residues pruned to eliminate duplicates Z: 102 71.021 2.340 0.862 0.572 0.931 0.653 CB 1.626 102 residues pruned to eliminate duplicates Z: 102 74.821 2.361 0.911 0.572 0.941 0.634 CB 1.637 102 residues pruned to eliminate duplicates Z: 22 51.452 2.472 0.984 0.928 1.000 0.714 CB 1.603 22 residues pruned to eliminate duplicates Z: 102 75.304 2.350 0.877 0.582 0.960 0.663 CB 1.635 102 residues pruned to eliminate duplicates Z: 21 57.981 2.540 1.063 0.934 1.000 0.900 CB 1.725 21 residues pruned to eliminate duplicates Z: 103 72.097 2.331 0.933 0.564 0.922 0.637 CB 1.615 103 residues pruned to eliminate duplicates Z: 102 69.277 2.326 0.889 0.544 0.931 0.604 CB 1.614 102 residues pruned to eliminate duplicates Z: 56 58.911 2.334 1.016 0.631 0.945 0.618 CB 1.579 56 residues pruned to eliminate duplicates Z: 101 68.481 2.302 0.846 0.560 0.950 0.610 CB 1.600 101 residues pruned to eliminate duplicates Z: 62 51.128 2.342 0.825 0.555 0.918 0.639 CB 1.582 62 residues pruned to eliminate duplicates Z: 88 64.813 2.308 0.903 0.561 0.943 0.678 CB 1.582 87 residues pruned to eliminate duplicates Z: 21 59.388 2.570 1.044 0.938 1.000 0.950 CB 1.758 21 residues pruned to eliminate duplicates Z: 102 73.334 2.337 0.940 0.565 0.941 0.634 CB 1.606 102 residues pruned to eliminate duplicates Z: 88 62.219 2.294 0.942 0.549 0.908 0.667 CB 1.571 88 residues pruned to eliminate duplicates Z: 103 75.074 2.341 0.986 0.578 0.931 0.686 CB 1.593 103 residues pruned to eliminate duplicates Z: 101 75.337 2.366 0.955 0.583 0.940 0.700 CB 1.600 101 residues pruned to eliminate duplicates Z: 102 74.011 2.354 0.900 0.561 0.950 0.653 CB 1.632 102 residues pruned to eliminate duplicates Z: 45 55.436 2.391 0.969 0.617 0.977 0.636 CB 1.626 45 residues pruned to eliminate duplicates Z: 45 54.972 2.395 0.942 0.619 0.977 0.591 CB 1.630 45 residues pruned to eliminate duplicates Z: 87 62.473 2.331 0.863 0.562 0.930 0.674 CB 1.570 87 residues pruned to eliminate duplicates Z: 72 61.257 2.324 0.938 0.587 0.915 0.620 CB 1.622 73 residues pruned to eliminate duplicates Z: 6 9.726 1.833 0.727 0.623 1.000 0.600 CB 1.223 6 residues pruned to eliminate duplicates Z: 74 72.664 2.420 1.029 0.624 0.932 0.685 CB 1.654 74 residues pruned to eliminate duplicates Z: 61 57.196 2.356 0.972 0.584 0.917 0.617 CB 1.599 61 residues pruned to eliminate duplicates Z: 68 52.048 2.242 1.018 0.485 0.925 0.657 CB 1.542 68 residues pruned to eliminate duplicates Z: 75 66.036 2.406 0.993 0.593 0.892 0.676 CB 1.642 75 residues pruned to eliminate duplicates Z: 54 43.232 2.293 0.992 0.518 0.906 0.642 CB 1.410 54 residues pruned to eliminate duplicates Z: 101 77.449 2.377 1.019 0.572 0.930 0.690 CB 1.619 101 residues pruned to eliminate duplicates Z: 85 60.439 2.276 0.999 0.538 0.929 0.690 CB 1.503 85 residues pruned to eliminate duplicates Z: 98 72.427 2.323 1.002 0.555 0.938 0.619 CB 1.599 98 residues pruned to eliminate duplicates Z: 72 51.767 2.293 0.876 0.549 0.901 0.549 CB 1.510 72 residues pruned to eliminate duplicates Z: 52 43.816 2.317 0.890 0.449 0.902 0.510 CB 1.637 52 residues pruned to eliminate duplicates Z: 102 69.170 2.323 0.924 0.547 0.921 0.634 CB 1.597 102 residues pruned to eliminate duplicates Z: 101 77.471 2.364 0.981 0.577 0.960 0.670 CB 1.600 101 residues pruned to eliminate duplicates Z: 90 63.377 2.291 0.942 0.546 0.921 0.685 CB 1.566 90 residues pruned to eliminate duplicates Z: 36 31.561 2.252 0.772 0.444 0.914 0.600 CB 1.549 36 residues pruned to eliminate duplicates Z: 48 50.049 2.398 0.902 0.529 0.936 0.638 CB 1.662 48 residues pruned to eliminate duplicates Z: 50 47.420 2.385 0.949 0.515 0.898 0.653 CB 1.599 50 residues pruned to eliminate duplicates Z: 102 69.866 2.334 0.909 0.559 0.921 0.634 CB 1.600 102 residues pruned to eliminate duplicates Z: 107 75.498 2.311 0.978 0.559 0.953 0.689 CB 1.590 107 residues pruned to eliminate duplicates Z: 6 6.550 1.689 0.471 0.386 1.000 0.400 C 1.329 6 residues pruned to eliminate duplicates Z: 76 71.724 2.387 1.000 0.607 0.960 0.707 CB 1.633 76 residues pruned to eliminate duplicates Z: 102 74.205 2.338 0.954 0.586 0.921 0.703 CB 1.617 102 residues pruned to eliminate duplicates Z: 6 4.487 1.613 0.624 0.357 1.000 0.800 CB 0.894 6 residues pruned to eliminate duplicates Z: 74 73.177 2.406 1.006 0.600 0.973 0.671 CB 1.658 74 residues pruned to eliminate duplicates Z: 102 72.259 2.356 0.908 0.582 0.921 0.663 CB 1.605 102 residues pruned to eliminate duplicates Z: 103 76.198 2.355 1.009 0.589 0.922 0.667 CB 1.589 103 residues pruned to eliminate duplicates Z: 50 46.694 2.357 1.004 0.514 0.878 0.633 CB 1.587 50 residues pruned to eliminate duplicates Z: 79 68.232 2.360 1.070 0.590 0.910 0.615 CB 1.593 79 residues pruned to eliminate duplicates Z: 74 68.270 2.424 0.911 0.628 0.918 0.740 CB 1.667 74 residues pruned to eliminate duplicates Z: 96 72.850 2.311 1.041 0.575 0.937 0.695 CB 1.574 96 residues pruned to eliminate duplicates Z: 112 72.718 2.299 0.971 0.561 0.928 0.658 CB 1.547 112 residues pruned to eliminate duplicates Z: 101 78.204 2.379 0.972 0.588 0.940 0.710 CB 1.630 101 residues pruned to eliminate duplicates Z: 52 43.031 2.305 0.943 0.496 0.882 0.647 CB 1.531 52 residues pruned to eliminate duplicates Z: 57 42.289 2.181 0.939 0.490 0.875 0.643 CB 1.542 57 residues pruned to eliminate duplicates Z: 19 32.559 2.402 0.972 0.550 0.889 0.722 CB 1.735 19 residues pruned to eliminate duplicates Z: 101 72.175 2.362 0.963 0.563 0.910 0.610 CB 1.608 101 residues pruned to eliminate duplicates Z: 75 71.671 2.407 1.014 0.598 0.959 0.743 CB 1.630 75 residues pruned to eliminate duplicates Z: 101 73.793 2.361 0.967 0.564 0.930 0.640 CB 1.606 101 residues pruned to eliminate duplicates Z: 50 48.051 2.373 0.909 0.505 0.939 0.633 CB 1.607 50 residues pruned to eliminate duplicates Z: 49 48.884 2.405 0.937 0.519 0.938 0.646 CB 1.586 49 residues pruned to eliminate duplicates Z: 52 45.008 2.327 0.969 0.471 0.882 0.588 CB 1.606 52 residues pruned to eliminate duplicates Z: 50 45.845 2.361 0.976 0.495 0.898 0.592 CB 1.570 50 residues pruned to eliminate duplicates Z: 137 90.620 2.427 1.014 0.554 0.912 0.654 CB 1.654 137 residues pruned to eliminate duplicates Z: 69 53.089 2.372 0.924 0.460 0.897 0.618 CB 1.637 69 residues pruned to eliminate duplicates Z: 102 80.418 2.421 0.859 0.594 0.931 0.713 CB 1.746 102 residues pruned to eliminate duplicates Z: 152 109.221 2.458 0.964 0.606 0.947 0.709 CB 1.758 152 residues pruned to eliminate duplicates Z: 62 62.731 2.447 1.062 0.495 0.934 0.590 CB 1.711 62 residues pruned to eliminate duplicates Z: 69 78.217 2.474 1.120 0.594 0.941 0.721 CB 1.757 69 residues pruned to eliminate duplicates Z: 155 106.704 2.431 0.914 0.619 0.948 0.688 CB 1.743 155 residues pruned to eliminate duplicates Z: 110 96.561 2.517 1.083 0.587 0.927 0.688 CB 1.751 110 residues pruned to eliminate duplicates Z: 155 100.076 2.421 0.890 0.593 0.942 0.682 CB 1.713 155 residues pruned to eliminate duplicates Z: 155 111.959 2.436 1.033 0.628 0.935 0.740 CB 1.727 155 residues pruned to eliminate duplicates Z: 154 108.303 2.444 0.958 0.620 0.941 0.725 CB 1.736 154 residues pruned to eliminate duplicates Z: 57 65.463 2.498 1.165 0.518 0.929 0.696 CB 1.711 57 residues pruned to eliminate duplicates Z: 81 64.693 2.402 0.979 0.521 0.913 0.650 CB 1.633 81 residues pruned to eliminate duplicates Z: 110 93.680 2.499 1.112 0.586 0.927 0.697 CB 1.689 110 residues pruned to eliminate duplicates Z: 70 73.390 2.477 1.106 0.588 0.899 0.667 CB 1.733 70 residues pruned to eliminate duplicates Z: 76 51.890 2.297 0.698 0.532 0.933 0.573 CB 1.595 76 residues pruned to eliminate duplicates Z: 107 90.642 2.461 1.059 0.575 0.943 0.689 CB 1.714 107 residues pruned to eliminate duplicates Z: 70 76.768 2.475 1.016 0.608 0.942 0.696 CB 1.774 70 residues pruned to eliminate duplicates Z: 175 112.992 2.439 0.964 0.601 0.943 0.672 CB 1.723 175 residues pruned to eliminate duplicates Z: 104 81.797 2.409 0.916 0.594 0.922 0.660 CB 1.731 104 residues pruned to eliminate duplicates Z: 130 105.613 2.445 0.991 0.641 0.946 0.713 CB 1.771 130 residues pruned to eliminate duplicates Z: 152 112.497 2.464 0.994 0.619 0.947 0.722 CB 1.758 152 residues pruned to eliminate duplicates Z: 104 80.541 2.412 0.885 0.578 0.942 0.680 CB 1.718 104 residues pruned to eliminate duplicates Z: 16 23.185 2.252 0.802 0.474 0.933 0.533 CB 1.623 16 residues pruned to eliminate duplicates Z: 86 73.511 2.361 0.860 0.621 0.929 0.741 CB 1.742 86 residues pruned to eliminate duplicates Z: 132 99.123 2.428 0.948 0.628 0.931 0.718 CB 1.743 132 residues pruned to eliminate duplicates Z: 151 110.473 2.472 1.013 0.625 0.927 0.713 CB 1.739 151 residues pruned to eliminate duplicates Z: 59 51.987 2.256 0.824 0.620 0.931 0.655 CB 1.592 59 residues pruned to eliminate duplicates Z: 24 46.313 2.338 0.817 0.896 1.000 1.000 CB 1.628 24 residues pruned to eliminate duplicates Z: 105 65.375 2.211 0.788 0.598 0.962 0.692 CB 1.536 105 residues pruned to eliminate duplicates Z: 78 46.419 2.062 0.732 0.587 0.948 0.675 CB 1.438 72 residues pruned to eliminate duplicates Z: 20 53.478 2.430 0.900 0.947 1.000 0.895 CB 1.836 20 residues pruned to eliminate duplicates Z: 58 52.687 2.254 0.815 0.633 0.965 0.719 CB 1.561 58 residues pruned to eliminate duplicates Z: 106 64.604 2.206 0.832 0.590 0.943 0.695 CB 1.517 106 residues pruned to eliminate duplicates Z: 105 68.323 2.210 0.907 0.600 0.942 0.692 CB 1.533 105 residues pruned to eliminate duplicates Z: 74 63.019 2.249 0.910 0.627 0.973 0.726 CB 1.567 74 residues pruned to eliminate duplicates Z: 28 44.687 2.297 0.957 0.769 0.963 0.778 CB 1.565 51 residues pruned to eliminate duplicates Z: 22 48.172 2.333 1.042 0.934 1.000 0.714 CB 1.538 22 residues pruned to eliminate duplicates Z: 43 53.661 2.290 0.922 0.679 0.976 0.667 CB 1.634 43 residues pruned to eliminate duplicates Z: 95 67.637 2.224 0.926 0.573 0.979 0.638 CB 1.550 95 residues pruned to eliminate duplicates Z: 105 68.416 2.224 0.868 0.582 0.962 0.615 CB 1.552 104 residues pruned to eliminate duplicates Z: 22 50.948 2.318 1.190 0.938 1.000 0.571 CB 1.523 22 residues pruned to eliminate duplicates Z: 60 50.701 2.232 0.878 0.597 0.949 0.627 CB 1.511 60 residues pruned to eliminate duplicates Z: 43 55.789 2.285 0.987 0.654 1.000 0.667 CB 1.643 43 residues pruned to eliminate duplicates Z: 70 62.283 2.302 0.973 0.581 0.913 0.667 CB 1.672 70 residues pruned to eliminate duplicates Z: 94 68.286 2.245 0.872 0.602 0.978 0.667 CB 1.563 94 residues pruned to eliminate duplicates Z: 21 54.793 2.406 1.056 0.959 1.000 0.850 CB 1.698 21 residues pruned to eliminate duplicates Z: 29 44.756 2.268 0.984 0.742 0.964 0.786 CB 1.569 29 residues pruned to eliminate duplicates Z: 92 69.634 2.269 0.952 0.607 0.934 0.637 CB 1.594 92 residues pruned to eliminate duplicates Z: 93 69.296 2.261 0.923 0.616 0.924 0.696 CB 1.612 93 residues pruned to eliminate duplicates Z: 105 64.382 2.216 0.813 0.591 0.942 0.673 CB 1.528 105 residues pruned to eliminate duplicates Z: 105 68.552 2.228 0.912 0.589 0.942 0.654 CB 1.538 105 residues pruned to eliminate duplicates Z: 75 61.541 2.228 0.870 0.618 0.959 0.635 CB 1.601 75 residues pruned to eliminate duplicates Z: 93 69.503 2.255 0.926 0.623 0.946 0.696 CB 1.571 93 residues pruned to eliminate duplicates Z: 81 52.719 2.196 0.829 0.531 0.938 0.613 CB 1.518 81 residues pruned to eliminate duplicates Z: 105 70.283 2.225 0.915 0.603 0.952 0.644 CB 1.540 105 residues pruned to eliminate duplicates Z: 82 61.536 2.233 0.838 0.605 0.963 0.679 CB 1.566 82 residues pruned to eliminate duplicates Z: 44 26.805 2.074 0.695 0.444 0.907 0.442 CB 1.358 44 residues pruned to eliminate duplicates Z: 106 66.305 2.208 0.883 0.586 0.933 0.629 CB 1.536 106 residues pruned to eliminate duplicates Z: 43 54.429 2.301 0.948 0.642 1.000 0.643 CB 1.641 44 residues pruned to eliminate duplicates Z: 6 7.922 2.016 0.730 0.274 0.800 0.400 N 1.641 6 residues pruned to eliminate duplicates Z: 79 51.734 2.207 0.828 0.524 0.936 0.641 CB 1.515 79 residues pruned to eliminate duplicates Z: 74 61.173 2.264 0.878 0.627 0.959 0.685 CB 1.557 74 residues pruned to eliminate duplicates Z: 105 70.266 2.229 0.901 0.622 0.962 0.740 CB 1.508 104 residues pruned to eliminate duplicates Z: 6 2.639 1.564 0.670 0.297 0.800 0.600 CB 0.709 6 residues pruned to eliminate duplicates Z: 48 45.386 2.273 0.902 0.531 0.936 0.574 CB 1.587 48 residues pruned to eliminate duplicates Z: 62 50.634 2.185 0.924 0.584 0.967 0.656 CB 1.471 61 residues pruned to eliminate duplicates Z: 6 7.894 1.757 0.585 0.429 1.000 0.800 CA 1.365 6 residues pruned to eliminate duplicates Z: 32 32.814 2.220 0.866 0.525 0.935 0.613 CB 1.484 32 residues pruned to eliminate duplicates Z: 15 21.940 2.235 0.904 0.550 0.929 0.714 CB 1.413 15 residues pruned to eliminate duplicates Z: 31 33.946 2.244 0.956 0.536 0.933 0.600 CB 1.461 31 residues pruned to eliminate duplicates Z: 29 40.466 2.309 0.997 0.602 0.929 0.714 CB 1.620 29 residues pruned to eliminate duplicates Z: 16 19.402 2.144 0.916 0.540 0.933 0.733 CB 1.256 16 residues pruned to eliminate duplicates Z: 93 66.347 2.246 0.921 0.606 0.946 0.630 CB 1.533 93 residues pruned to eliminate duplicates Z: 31 37.496 2.268 1.065 0.574 0.933 0.700 CB 1.457 31 residues pruned to eliminate duplicates Z: 36 34.455 2.199 0.837 0.549 0.914 0.743 CB 1.503 36 residues pruned to eliminate duplicates Z: 64 41.739 2.152 0.821 0.534 0.921 0.714 CB 1.409 64 residues pruned to eliminate duplicates Z: 49 39.064 2.145 0.878 0.567 0.917 0.667 CB 1.431 50 residues pruned to eliminate duplicates Z: 7 6.899 1.768 0.249 0.451 1.000 0.667 CA 1.341 7 residues pruned to eliminate duplicates Z: 18 31.976 2.312 0.980 0.555 1.000 0.647 CB 1.605 18 residues pruned to eliminate duplicates Z: 50 37.486 2.125 0.851 0.534 0.918 0.633 CB 1.434 50 residues pruned to eliminate duplicates Z: 38 36.662 2.179 0.891 0.505 0.946 0.568 CB 1.538 38 residues pruned to eliminate duplicates Z: 39 35.393 2.157 1.033 0.543 0.921 0.632 CB 1.363 39 residues pruned to eliminate duplicates Z: 75 64.237 2.267 1.004 0.616 0.932 0.689 CB 1.579 75 residues pruned to eliminate duplicates Z: 52 43.056 2.202 0.975 0.533 0.922 0.706 CB 1.456 52 residues pruned to eliminate duplicates Z: 64 40.709 2.132 0.885 0.513 0.921 0.635 CB 1.368 64 residues pruned to eliminate duplicates Z: 42 34.552 2.154 0.831 0.509 0.951 0.707 CB 1.426 42 residues pruned to eliminate duplicates Z: 39 37.630 2.168 0.903 0.518 0.974 0.737 CB 1.492 39 residues pruned to eliminate duplicates Z: 106 66.629 2.214 0.922 0.601 0.924 0.686 CB 1.503 106 residues pruned to eliminate duplicates Z: 62 44.566 2.156 0.876 0.553 0.934 0.738 CB 1.433 62 residues pruned to eliminate duplicates Z: 42 38.140 2.208 0.925 0.480 0.976 0.683 CB 1.466 42 residues pruned to eliminate duplicates Z: 61 38.637 2.154 0.737 0.500 0.950 0.683 CB 1.403 61 residues pruned to eliminate duplicates Z: 34 24.200 2.009 0.727 0.521 0.909 0.606 CB 1.308 34 residues pruned to eliminate duplicates Z: 38 37.188 2.188 0.932 0.507 0.919 0.676 CB 1.562 38 residues pruned to eliminate duplicates Z: 31 26.884 2.076 0.774 0.574 0.933 0.667 CB 1.330 31 residues pruned to eliminate duplicates Z: 105 67.328 2.228 0.961 0.595 0.913 0.702 CB 1.511 105 residues pruned to eliminate duplicates Z: 34 24.490 1.996 0.775 0.501 0.939 0.636 CB 1.280 34 residues pruned to eliminate duplicates Z: 21 28.105 2.082 1.043 0.557 1.000 0.700 CB 1.399 21 residues pruned to eliminate duplicates Z: 20 25.645 2.066 0.850 0.520 1.000 0.632 CB 1.510 20 residues pruned to eliminate duplicates Z: 63 41.485 2.137 0.805 0.529 0.935 0.710 CB 1.419 63 residues pruned to eliminate duplicates Z: 64 39.877 2.118 0.835 0.538 0.889 0.698 CB 1.401 64 residues pruned to eliminate duplicates Z: 18 32.568 2.188 1.140 0.592 1.000 0.824 CB 1.545 18 residues pruned to eliminate duplicates Z: 56 42.517 2.089 0.949 0.618 0.927 0.709 CB 1.358 56 residues pruned to eliminate duplicates Z: 50 40.427 2.137 0.857 0.562 0.939 0.673 CB 1.460 50 residues pruned to eliminate duplicates Z: 38 31.468 2.126 0.851 0.482 0.919 0.676 CB 1.457 38 residues pruned to eliminate duplicates Z: 65 43.537 2.134 0.911 0.526 0.953 0.641 CB 1.365 65 residues pruned to eliminate duplicates Z: 106 64.661 2.198 0.846 0.581 0.971 0.657 CB 1.481 106 residues pruned to eliminate duplicates Z: 42 22.275 1.923 0.678 0.480 0.902 0.585 CB 1.219 42 residues pruned to eliminate duplicates Z: 26 24.938 2.101 0.746 0.591 0.920 0.640 CB 1.354 26 residues pruned to eliminate duplicates Z: 37 31.554 2.151 0.929 0.506 0.889 0.639 CB 1.417 37 residues pruned to eliminate duplicates Z: 63 39.553 2.134 0.865 0.512 0.903 0.694 CB 1.382 63 residues pruned to eliminate duplicates Z: 11 14.598 2.083 0.440 0.673 1.000 0.700 CB 1.313 11 residues pruned to eliminate duplicates Z: 31 30.517 2.088 0.912 0.589 0.967 0.667 CB 1.326 31 residues pruned to eliminate duplicates Z: 12 12.360 2.003 0.380 0.579 1.000 0.727 CB 1.249 12 residues pruned to eliminate duplicates Z: 83 44.086 2.122 0.801 0.508 0.915 0.646 CB 1.381 83 residues pruned to eliminate duplicates Z: 13 10.011 1.960 0.379 0.539 0.917 0.667 CB 1.122 12 residues pruned to eliminate duplicates Z: 17 12.258 1.603 0.391 0.883 0.938 0.500 CB 1.060 17 residues pruned to eliminate duplicates Z: 19 12.840 1.530 0.413 0.826 1.000 0.500 CB 1.056 16 residues pruned to eliminate duplicates Z: 16 12.799 1.639 0.433 0.853 0.933 0.533 CB 1.114 16 residues pruned to eliminate duplicates Z: 15 14.188 1.709 0.401 0.879 1.000 0.714 CB 1.149 15 residues pruned to eliminate duplicates Z: 29 16.415 1.759 0.474 0.679 0.964 0.571 CB 1.053 30 residues pruned to eliminate duplicates Z: 14 12.894 1.710 0.289 0.885 1.000 0.769 CB 1.171 14 residues pruned to eliminate duplicates Z: 15 13.562 1.716 0.298 0.892 1.000 0.786 CB 1.169 15 residues pruned to eliminate duplicates Z: 18 12.403 1.566 0.389 0.854 0.941 0.588 CB 1.085 18 residues pruned to eliminate duplicates Z: 16 13.552 1.673 0.322 0.864 1.000 0.800 CB 1.159 16 residues pruned to eliminate duplicates Z: 18 13.121 1.578 0.366 0.857 1.000 0.588 CB 1.088 18 residues pruned to eliminate duplicates Z: 15 14.559 1.714 0.409 0.883 1.000 0.857 CB 1.165 15 residues pruned to eliminate duplicates Z: 29 16.258 1.760 0.333 0.700 0.964 0.679 CB 1.132 29 residues pruned to eliminate duplicates Z: 16 14.582 1.661 0.423 0.868 1.000 0.867 CB 1.165 16 residues pruned to eliminate duplicates Z: 16 13.864 1.670 0.416 0.882 0.933 0.867 CB 1.174 16 residues pruned to eliminate duplicates Z: 14 14.454 1.740 0.384 0.882 1.000 0.923 CB 1.204 14 residues pruned to eliminate duplicates Z: 81 42.572 2.032 0.783 0.577 0.938 0.738 CB 1.301 81 residues pruned to eliminate duplicates Z: 17 13.367 1.590 0.343 0.895 1.000 1.000 CB 1.122 17 residues pruned to eliminate duplicates 379 residues left after pruning, divided into chains as follows: A: 25 B: 182 C: 48 D: 124 CC for partial structure against native data = 38.48 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.546, Connect. = 0.776 for dens.mod. cycle 1 = 0.300, Contrast = 0.624, Connect. = 0.801 for dens.mod. cycle 2 = 0.301, Contrast = 0.748, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 0.760, Connect. = 0.830 for dens.mod. cycle 4 = 0.300, Contrast = 0.776, Connect. = 0.832 for dens.mod. cycle 5 = 0.300, Contrast = 0.783, Connect. = 0.833 for dens.mod. cycle 6 = 0.301, Contrast = 0.791, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.796, Connect. = 0.835 for dens.mod. cycle 8 = 0.301, Contrast = 0.800, Connect. = 0.836 for dens.mod. cycle 9 = 0.301, Contrast = 0.802, Connect. = 0.837 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.61 - 2.86 - 2.50 - 2.27 - 2.10 - 1.98 - 1.88 - 1.80 - 1.73 - 1.67 0.738 0.762 0.754 0.756 0.741 0.740 0.726 0.704 0.643 0.594 0.894 0.920 0.906 0.890 0.871 0.870 0.873 0.851 0.775 0.716 N 6313 6295 6249 6257 6576 6072 6346 6119 6313 6146 Estimated mean FOM = 0.716 Pseudo-free CC = 73.14 % Best trace (cycle 1 with CC 46.40%) was saved as ./1vpm-1.7-parrot-noncs/1vpm-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.3 - Setup, data input and phasing 12.4 - FFTs and peak-searches 29.7 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 1168.7 - Tripeptide search 18950.3 - Chain tracing 0.0 - NCS analysis 43.9 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 04:17:01 Total time: 20207.53 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 338.42 Used memory is bytes: 3900048