++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:48:12 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: ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.ins Phases from ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.phi Native data from ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.hkl Listing output to ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.lst Phases output to ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.phs Poly-Ala trace output to ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 2 2 21 Allowed origin shift code: 5 55749 Reflections read from file ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.phi 55749 Reflections read from file ./1vpb-1.8-parrot-hancs/1vpb-1.8-parrot-hancs.hkl 55749 Unique data, highest resolution = 1.800 Angstroms Anisotropic scaling: intensities multiplied by 0.000126h^2 +0.000058k^2 -0.000153l^2 +0.000000kl +0.000000hl +0.000000hk 545 Reflections with d > 2.000 and 0 in range 2.000 > d > 1.800 added Density sharpening factor set to 1.05 Fourier grid = 128 x 512 x 44 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|> = 0.730 = 0.300, Contrast = 0.697, Connect. = 0.792 for dens.mod. cycle 1 = 0.300, Contrast = 0.788, Connect. = 0.798 for dens.mod. cycle 2 = 0.300, Contrast = 0.877, Connect. = 0.807 for dens.mod. cycle 3 = 0.300, Contrast = 0.892, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.900, Connect. = 0.812 for dens.mod. cycle 5 = 0.300, Contrast = 0.904, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.907, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.908, Connect. = 0.814 for dens.mod. cycle 8 = 0.300, Contrast = 0.909, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.909, Connect. = 0.815 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2391 peaks > 0.5 sigma used to seed fragment search Space for about 666 unique residues taking solvent into account 555 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 26.265 2.109 1.145 0.516 0.765 0.412 CB 1.812 B: 85 52.330 2.292 0.914 0.401 0.905 0.619 CB 1.596 C: 64 38.970 2.279 0.964 0.281 0.873 0.556 CB 1.609 62 residues pruned to eliminate duplicates D: 21 51.294 2.275 1.318 0.927 1.000 0.850 CB 1.524 E: 7 18.853 1.919 1.015 0.807 1.000 0.500 CA 1.524 F: 18 40.752 2.318 1.152 0.729 0.941 0.588 CB 1.713 G: 23 40.143 2.234 1.213 0.683 0.955 0.636 CB 1.534 21 residues pruned to eliminate duplicates H: 84 62.504 2.294 0.996 0.586 0.904 0.687 CB 1.527 29 residues pruned to eliminate duplicates I: 77 54.266 2.316 0.885 0.434 0.921 0.566 CB 1.657 76 residues pruned to eliminate duplicates J: 18 18.308 2.237 1.177 0.383 0.824 0.412 CB 1.254 K: 20 40.062 2.253 0.873 0.904 0.947 0.684 CB 1.637 L: 18 48.877 2.442 0.853 0.951 1.000 0.824 CA 1.805 19 residues pruned to eliminate duplicates M: 34 47.802 2.319 1.188 0.599 0.879 0.636 CB 1.697 20 residues pruned to eliminate duplicates N: 10 9.723 1.895 0.999 0.483 0.778 0.444 CB 1.118 7 residues pruned to eliminate duplicates O: 18 25.284 2.193 1.053 0.432 0.941 0.529 CB 1.552 17 residues pruned to eliminate duplicates P: 14 15.142 1.895 0.789 0.529 0.846 0.538 CA 1.423 Q: 31 36.579 2.311 1.237 0.578 0.867 0.400 CB 1.382 35 residues pruned to eliminate duplicates R: 20 50.543 2.380 1.218 0.931 0.947 0.737 CB 1.620 20 residues pruned to eliminate duplicates S: 32 55.630 2.403 1.174 0.678 0.903 0.710 CB 1.796 32 residues pruned to eliminate duplicates T: 15 46.231 2.462 1.223 0.733 1.000 0.714 CB 1.831 15 residues pruned to eliminate duplicates U: 76 52.710 2.272 0.977 0.421 0.907 0.573 CB 1.624 76 residues pruned to eliminate duplicates V: 16 24.583 2.171 0.943 0.407 0.933 0.400 CB 1.777 16 residues pruned to eliminate duplicates W: 19 50.580 2.377 1.003 0.938 1.000 0.722 CB 1.741 19 residues pruned to eliminate duplicates X: 35 35.748 2.227 0.912 0.615 0.853 0.529 CB 1.514 35 residues pruned to eliminate duplicates Y: 21 49.481 2.280 1.244 0.909 1.000 0.750 CB 1.535 21 residues pruned to eliminate duplicates Z: 9 19.866 2.190 0.780 0.651 1.000 0.625 CB 1.566 9 residues pruned to eliminate duplicates Z: 20 39.734 2.268 1.174 0.754 0.947 0.684 CB 1.556 20 residues pruned to eliminate duplicates Z: 11 20.000 2.242 0.720 0.597 1.000 0.600 CB 1.495 11 residues pruned to eliminate duplicates Z: 48 34.283 2.098 1.117 0.418 0.915 0.532 CB 1.340 Z: 19 43.452 2.389 0.662 0.950 1.000 0.833 CA 1.780 19 residues pruned to eliminate duplicates Z: 10 18.963 2.378 0.980 0.486 0.778 0.667 CB 1.751 13 residues pruned to eliminate duplicates Z: 18 42.950 2.360 0.891 0.933 0.941 0.706 CB 1.730 18 residues pruned to eliminate duplicates Z: 20 45.583 2.237 1.040 0.941 1.000 0.789 CA 1.590 20 residues pruned to eliminate duplicates Z: 12 12.078 2.225 0.839 0.392 0.636 0.364 CA 1.568 12 residues pruned to eliminate duplicates Z: 17 28.895 2.427 1.351 0.575 0.875 0.500 CB 1.346 17 residues pruned to eliminate duplicates Z: 78 58.166 2.304 0.982 0.445 0.935 0.610 CB 1.643 78 residues pruned to eliminate duplicates Z: 18 51.505 2.437 0.972 0.947 1.000 0.588 CB 1.796 19 residues pruned to eliminate duplicates Z: 24 50.633 2.511 1.494 0.597 0.870 0.522 CB 1.767 24 residues pruned to eliminate duplicates Z: 10 16.673 2.145 0.810 0.595 0.889 0.667 CB 1.471 10 residues pruned to eliminate duplicates Z: 9 24.095 2.223 0.757 0.675 1.000 0.750 CB 1.856 9 residues pruned to eliminate duplicates Z: 115 60.765 2.291 0.961 0.433 0.886 0.526 CB 1.533 121 residues pruned to eliminate duplicates Z: 33 49.347 2.406 1.208 0.635 0.875 0.562 CB 1.653 33 residues pruned to eliminate duplicates Z: 66 45.589 2.155 1.200 0.425 0.923 0.600 CB 1.396 63 residues pruned to eliminate duplicates Z: 69 69.440 2.433 1.054 0.642 0.897 0.618 CB 1.644 69 residues pruned to eliminate duplicates Z: 22 21.731 2.095 0.946 0.520 0.762 0.571 CB 1.497 22 residues pruned to eliminate duplicates Z: 21 47.686 2.236 1.255 0.921 1.000 0.800 CB 1.488 21 residues pruned to eliminate duplicates Z: 33 33.064 2.297 0.736 0.609 0.812 0.531 CB 1.626 33 residues pruned to eliminate duplicates Z: 19 53.541 2.332 1.247 0.948 1.000 0.389 CB 1.663 19 residues pruned to eliminate duplicates Z: 130 60.201 2.182 0.906 0.420 0.907 0.612 CB 1.526 97 residues pruned to eliminate duplicates Z: 12 19.356 2.320 1.120 0.468 0.727 0.364 CA 1.686 12 residues pruned to eliminate duplicates Z: 39 41.321 2.181 0.980 0.574 0.947 0.368 CB 1.526 41 residues pruned to eliminate duplicates Z: 39 46.143 2.261 1.097 0.615 0.921 0.605 CB 1.537 39 residues pruned to eliminate duplicates Z: 21 51.927 2.285 1.153 0.929 1.000 0.800 CB 1.653 21 residues pruned to eliminate duplicates Z: 53 52.679 2.383 1.123 0.602 0.846 0.577 CB 1.549 54 residues pruned to eliminate duplicates Z: 20 30.133 2.397 1.323 0.564 0.737 0.526 CB 1.584 20 residues pruned to eliminate duplicates Z: 18 30.735 2.094 0.617 0.818 1.000 0.824 CB 1.670 18 residues pruned to eliminate duplicates Z: 19 51.195 2.387 1.225 0.951 1.000 0.889 CB 1.567 19 residues pruned to eliminate duplicates Z: 22 32.343 2.169 1.083 0.651 0.857 0.619 CB 1.583 18 residues pruned to eliminate duplicates Z: 20 46.337 2.241 1.310 0.893 0.895 0.632 CB 1.647 20 residues pruned to eliminate duplicates Z: 12 13.108 2.167 0.909 0.366 0.636 0.455 CA 1.734 12 residues pruned to eliminate duplicates Z: 11 17.118 2.037 0.634 0.655 0.900 0.400 CB 1.565 11 residues pruned to eliminate duplicates Z: 19 48.282 2.385 0.997 0.931 0.944 0.778 CA 1.769 19 residues pruned to eliminate duplicates Z: 12 23.900 2.260 1.021 0.494 1.000 0.455 CB 1.586 12 residues pruned to eliminate duplicates Z: 16 28.321 2.191 0.530 0.820 1.000 0.800 CA 1.652 16 residues pruned to eliminate duplicates Z: 86 83.959 2.417 1.182 0.609 0.965 0.694 CB 1.614 98 residues pruned to eliminate duplicates Z: 21 46.379 2.351 1.234 0.777 1.000 0.750 CB 1.546 21 residues pruned to eliminate duplicates Z: 17 13.824 1.911 0.518 0.484 0.812 0.562 CB 1.490 17 residues pruned to eliminate duplicates Z: 14 13.852 2.040 0.814 0.439 0.769 0.462 CB 1.437 14 residues pruned to eliminate duplicates Z: 18 30.635 2.200 0.552 0.791 1.000 0.647 CB 1.685 18 residues pruned to eliminate duplicates Z: 18 56.046 2.436 1.201 0.946 1.000 0.529 CB 1.753 18 residues pruned to eliminate duplicates Z: 21 52.702 2.293 1.263 0.929 1.000 0.900 CB 1.589 21 residues pruned to eliminate duplicates Z: 18 24.428 2.088 1.153 0.396 0.941 0.647 CB 1.563 18 residues pruned to eliminate duplicates Z: 18 21.670 2.019 0.617 0.786 0.765 0.529 CA 1.637 18 residues pruned to eliminate duplicates Z: 18 23.031 1.998 0.396 0.897 0.941 0.706 CB 1.524 20 residues pruned to eliminate duplicates Z: 13 33.849 2.375 0.622 0.867 1.000 0.583 CB 1.856 13 residues pruned to eliminate duplicates Z: 23 28.237 2.080 1.030 0.523 0.909 0.636 CB 1.533 23 residues pruned to eliminate duplicates Z: 17 29.871 2.040 0.675 0.872 1.000 0.875 CB 1.593 17 residues pruned to eliminate duplicates Z: 52 63.646 2.487 1.258 0.625 0.882 0.549 CB 1.600 52 residues pruned to eliminate duplicates Z: 37 36.495 2.165 0.949 0.498 0.917 0.583 CB 1.576 Z: 15 35.324 2.281 1.208 0.639 1.000 0.571 CA 1.646 15 residues pruned to eliminate duplicates Z: 38 21.697 1.869 0.655 0.549 0.919 0.730 CB 1.196 38 residues pruned to eliminate duplicates Z: 11 20.635 1.954 1.508 0.690 0.800 0.700 CB 1.399 11 residues pruned to eliminate duplicates Z: 10 20.976 2.102 0.893 0.700 1.000 0.667 CB 1.465 10 residues pruned to eliminate duplicates Z: 21 59.194 2.285 1.451 0.934 1.000 0.800 CB 1.648 21 residues pruned to eliminate duplicates Z: 21 46.106 2.260 1.213 0.885 0.950 0.700 CB 1.566 21 residues pruned to eliminate duplicates Z: 68 53.732 2.366 0.908 0.460 0.925 0.582 CB 1.637 68 residues pruned to eliminate duplicates Z: 26 51.056 2.424 1.295 0.628 0.880 0.520 CB 1.848 26 residues pruned to eliminate duplicates Z: 8 14.426 2.095 0.455 0.849 0.857 0.857 CB 1.547 8 residues pruned to eliminate duplicates Z: 72 64.792 2.384 1.025 0.607 0.873 0.549 CB 1.647 72 residues pruned to eliminate duplicates Z: 20 40.700 2.269 0.793 0.935 1.000 0.789 CA 1.599 19 residues pruned to eliminate duplicates Z: 17 26.490 2.059 0.567 0.900 0.938 0.750 CB 1.563 18 residues pruned to eliminate duplicates Z: 20 34.200 2.296 1.230 0.719 0.789 0.579 CB 1.592 21 residues pruned to eliminate duplicates Z: 19 20.320 2.135 0.782 0.556 0.889 0.500 CB 1.342 19 residues pruned to eliminate duplicates Z: 19 54.289 2.395 1.099 0.942 1.000 0.889 CA 1.765 19 residues pruned to eliminate duplicates Z: 16 23.914 2.258 0.856 0.501 1.000 0.733 CB 1.472 16 residues pruned to eliminate duplicates Z: 47 58.036 2.446 1.201 0.611 0.891 0.630 CB 1.605 47 residues pruned to eliminate duplicates Z: 45 37.454 2.116 1.239 0.464 0.932 0.591 CB 1.327 45 residues pruned to eliminate duplicates Z: 79 51.854 2.320 0.894 0.393 0.923 0.590 CB 1.622 79 residues pruned to eliminate duplicates Z: 6 8.872 2.170 0.662 0.743 0.600 0.400 CA 1.475 6 residues pruned to eliminate duplicates Z: 8 11.192 1.908 0.578 0.775 0.857 0.714 CB 1.285 8 residues pruned to eliminate duplicates Z: 18 27.866 2.073 0.517 0.877 1.000 0.765 CB 1.561 17 residues pruned to eliminate duplicates Z: 8 27.141 2.277 0.837 0.891 1.000 1.000 CB 1.763 8 residues pruned to eliminate duplicates Z: 12 18.996 2.074 0.953 0.615 0.727 0.545 CA 1.743 11 residues pruned to eliminate duplicates Z: 18 28.565 2.145 0.537 0.806 1.000 0.647 CB 1.609 18 residues pruned to eliminate duplicates Z: 10 17.208 2.093 0.802 0.800 0.778 0.667 CA 1.503 10 residues pruned to eliminate duplicates Z: 17 28.091 2.109 0.679 0.875 0.938 0.625 CB 1.538 17 residues pruned to eliminate duplicates Z: 16 32.703 2.281 0.988 0.619 0.933 0.600 CB 1.783 16 residues pruned to eliminate duplicates Z: 16 30.240 2.231 0.670 0.823 0.933 0.733 CB 1.697 16 residues pruned to eliminate duplicates Z: 6 14.119 2.310 0.762 0.712 0.800 0.800 CB 1.600 6 residues pruned to eliminate duplicates Z: 10 16.113 2.047 0.496 0.813 1.000 0.556 CA 1.336 11 residues pruned to eliminate duplicates Z: 19 33.649 2.141 0.738 0.805 1.000 0.611 CA 1.633 19 residues pruned to eliminate duplicates Z: 21 52.343 2.274 1.251 0.935 1.000 0.800 CB 1.593 21 residues pruned to eliminate duplicates Z: 9 14.941 2.185 0.482 0.707 0.875 0.750 CB 1.545 9 residues pruned to eliminate duplicates Z: 10 15.175 2.106 0.366 0.785 1.000 0.778 CA 1.368 10 residues pruned to eliminate duplicates Z: 6 11.326 1.904 0.594 0.832 1.000 0.800 CB 1.254 6 residues pruned to eliminate duplicates Z: 46 65.828 2.471 1.197 0.664 0.956 0.733 CB 1.626 46 residues pruned to eliminate duplicates Z: 31 23.488 1.982 0.685 0.548 0.900 0.700 CB 1.361 31 residues pruned to eliminate duplicates Z: 17 25.364 2.095 0.535 0.852 0.938 0.812 CB 1.556 17 residues pruned to eliminate duplicates Z: 17 25.054 2.093 0.603 0.862 0.875 0.562 CB 1.566 17 residues pruned to eliminate duplicates Z: 41 56.193 2.364 1.152 0.637 0.925 0.675 CB 1.660 57 residues pruned to eliminate duplicates Z: 130 96.340 2.380 1.234 0.608 0.922 0.682 CB 1.560 115 residues pruned to eliminate duplicates Z: 90 45.850 2.074 0.863 0.463 0.899 0.551 CB 1.453 90 residues pruned to eliminate duplicates Z: 10 18.082 2.168 0.554 0.814 0.889 0.889 CA 1.531 10 residues pruned to eliminate duplicates Z: 10 20.800 2.252 0.858 0.587 0.778 0.444 N 1.960 10 residues pruned to eliminate duplicates Z: 16 14.487 1.942 0.905 0.477 0.800 0.800 CB 1.294 16 residues pruned to eliminate duplicates Z: 14 23.918 2.032 1.087 0.655 0.846 0.692 CB 1.601 14 residues pruned to eliminate duplicates Z: 22 40.852 2.221 1.152 0.796 0.905 0.714 CA 1.591 22 residues pruned to eliminate duplicates Z: 34 33.956 2.205 0.790 0.590 0.909 0.485 CB 1.512 34 residues pruned to eliminate duplicates Z: 9 10.125 2.062 0.806 0.419 0.625 0.500 CB 1.675 9 residues pruned to eliminate duplicates Z: 19 50.418 2.319 1.299 0.931 0.944 0.389 CB 1.650 19 residues pruned to eliminate duplicates Z: 13 20.127 1.954 0.868 0.683 0.833 0.583 C 1.614 Z: 16 26.662 2.240 0.403 0.805 1.000 0.800 CB 1.678 16 residues pruned to eliminate duplicates Z: 42 40.960 2.203 1.261 0.492 0.878 0.610 CB 1.475 42 residues pruned to eliminate duplicates Z: 27 27.085 2.449 1.043 0.253 0.846 0.577 CB 1.668 27 residues pruned to eliminate duplicates Z: 18 37.380 2.355 0.572 0.937 1.000 0.882 CA 1.704 18 residues pruned to eliminate duplicates Z: 17 23.403 2.117 0.570 0.751 0.938 0.438 CB 1.500 17 residues pruned to eliminate duplicates Z: 19 52.903 2.400 1.242 0.928 1.000 0.778 CB 1.623 19 residues pruned to eliminate duplicates Z: 19 32.279 2.316 0.989 0.560 0.944 0.722 CB 1.650 19 residues pruned to eliminate duplicates Z: 17 25.101 2.192 0.437 0.796 0.938 0.688 CB 1.639 17 residues pruned to eliminate duplicates Z: 10 26.939 2.028 1.124 0.868 1.000 0.778 CB 1.524 10 residues pruned to eliminate duplicates Z: 37 31.360 2.242 1.077 0.392 0.806 0.500 CB 1.563 37 residues pruned to eliminate duplicates Z: 34 20.680 2.086 0.617 0.333 0.818 0.394 CB 1.565 30 residues pruned to eliminate duplicates Z: 20 20.163 1.912 0.690 0.563 0.895 0.632 CB 1.505 33 residues pruned to eliminate duplicates Z: 49 29.862 2.023 0.763 0.447 0.896 0.521 CB 1.424 49 residues pruned to eliminate duplicates Z: 17 25.174 2.116 0.460 0.859 0.938 0.750 CB 1.598 17 residues pruned to eliminate duplicates Z: 85 74.431 2.410 1.107 0.600 0.893 0.571 CB 1.629 85 residues pruned to eliminate duplicates Z: 77 56.291 2.351 0.976 0.419 0.908 0.592 CB 1.666 77 residues pruned to eliminate duplicates Z: 7 8.182 2.126 -0.042 0.684 1.000 0.667 CA 1.384 7 residues pruned to eliminate duplicates Z: 18 23.113 2.066 0.490 0.841 0.882 0.765 CB 1.539 18 residues pruned to eliminate duplicates Z: 19 56.173 2.302 1.311 0.929 1.000 0.556 CB 1.742 19 residues pruned to eliminate duplicates Z: 10 20.916 2.111 0.647 0.718 1.000 0.667 CB 1.646 10 residues pruned to eliminate duplicates Z: 12 21.074 2.276 0.934 0.348 1.000 0.818 CB 1.702 12 residues pruned to eliminate duplicates Z: 7 19.170 1.998 0.945 0.798 1.000 0.833 CB 1.552 Z: 19 21.588 2.142 0.829 0.464 0.944 0.667 CB 1.427 19 residues pruned to eliminate duplicates Z: 15 14.446 1.836 0.624 0.654 0.929 0.571 CA 1.208 15 residues pruned to eliminate duplicates Z: 18 30.082 2.426 1.175 0.458 0.882 0.588 CB 1.635 18 residues pruned to eliminate duplicates Z: 10 17.299 1.815 1.048 0.662 1.000 0.556 CA 1.335 10 residues pruned to eliminate duplicates Z: 8 19.952 2.205 0.462 0.894 1.000 1.000 CB 1.679 8 residues pruned to eliminate duplicates Z: 17 22.692 2.048 0.307 0.898 1.000 0.688 CB 1.516 17 residues pruned to eliminate duplicates Z: 12 7.498 1.834 0.241 0.392 0.818 0.455 CB 1.361 12 residues pruned to eliminate duplicates Z: 29 31.362 2.408 1.129 0.294 0.821 0.500 CB 1.774 29 residues pruned to eliminate duplicates Z: 11 14.558 1.902 0.602 0.814 0.900 0.400 CA 1.278 11 residues pruned to eliminate duplicates Z: 19 53.174 2.385 1.303 0.933 1.000 0.778 CB 1.593 19 residues pruned to eliminate duplicates Z: 9 21.829 2.216 0.642 0.915 1.000 0.875 CB 1.499 9 residues pruned to eliminate duplicates Z: 22 22.552 2.251 1.165 0.307 0.762 0.571 CB 1.642 22 residues pruned to eliminate duplicates Z: 41 33.139 2.188 0.998 0.471 0.875 0.550 CB 1.411 41 residues pruned to eliminate duplicates Z: 41 34.756 2.104 0.875 0.479 0.925 0.625 CB 1.538 40 residues pruned to eliminate duplicates Z: 79 56.943 2.296 0.972 0.426 0.936 0.577 CB 1.643 79 residues pruned to eliminate duplicates Z: 9 11.116 2.212 0.567 0.477 0.875 0.625 CB 1.326 9 residues pruned to eliminate duplicates Z: 21 50.483 2.240 1.321 0.915 1.000 0.750 CB 1.534 21 residues pruned to eliminate duplicates Z: 16 26.529 2.209 0.803 0.736 0.867 0.533 CB 1.606 16 residues pruned to eliminate duplicates Z: 120 65.524 2.260 1.060 0.432 0.908 0.555 CB 1.526 127 residues pruned to eliminate duplicates Z: 8 7.475 2.062 0.331 0.728 0.714 0.714 CA 1.174 8 residues pruned to eliminate duplicates Z: 10 19.432 2.111 0.812 0.819 0.889 0.556 CA 1.444 10 residues pruned to eliminate duplicates Z: 6 3.304 1.797 -0.276 0.503 0.800 0.400 C 1.415 Z: 19 48.586 2.275 1.199 0.936 0.944 0.556 CA 1.688 19 residues pruned to eliminate duplicates Z: 11 21.478 1.942 1.008 0.719 0.900 0.800 CB 1.588 18 residues pruned to eliminate duplicates Z: 37 36.708 2.135 0.958 0.476 0.944 0.583 CB 1.587 37 residues pruned to eliminate duplicates Z: 7 12.524 2.154 0.810 0.707 0.833 0.500 CB 1.304 7 residues pruned to eliminate duplicates Z: 140 65.437 2.201 0.990 0.433 0.921 0.583 CB 1.475 134 residues pruned to eliminate duplicates Z: 35 39.791 2.411 1.132 0.365 0.912 0.588 CB 1.684 35 residues pruned to eliminate duplicates Z: 34 48.911 2.325 0.960 0.707 0.970 0.758 CB 1.597 34 residues pruned to eliminate duplicates Z: 47 31.607 2.106 0.717 0.486 0.913 0.522 CB 1.431 47 residues pruned to eliminate duplicates Z: 141 60.855 2.156 0.913 0.439 0.907 0.514 CB 1.463 141 residues pruned to eliminate duplicates Z: 12 17.390 1.956 1.153 0.652 0.818 0.727 CB 1.321 Z: 6 2.177 1.592 -0.031 0.762 0.600 0.400 CB 0.833 6 residues pruned to eliminate duplicates Z: 23 25.742 2.216 1.001 0.468 0.909 0.591 CB 1.407 23 residues pruned to eliminate duplicates Z: 15 20.012 2.062 0.911 0.592 0.857 0.643 CB 1.450 15 residues pruned to eliminate duplicates Z: 48 29.373 2.036 0.733 0.429 0.894 0.553 CB 1.464 48 residues pruned to eliminate duplicates Z: 35 25.823 2.034 0.772 0.434 0.912 0.500 CB 1.443 28 residues pruned to eliminate duplicates Z: 25 28.720 2.467 1.140 0.318 0.792 0.667 CB 1.715 25 residues pruned to eliminate duplicates Z: 11 10.108 1.810 0.213 0.538 0.900 0.600 CB 1.558 6 residues pruned to eliminate duplicates Z: 90 70.345 2.381 1.072 0.579 0.899 0.629 CB 1.558 90 residues pruned to eliminate duplicates Z: 20 15.185 2.119 0.695 0.417 0.737 0.421 CB 1.436 20 residues pruned to eliminate duplicates Z: 15 20.014 1.755 0.812 0.859 1.000 0.857 CB 1.238 15 residues pruned to eliminate duplicates Z: 10 4.664 1.651 0.409 0.249 0.778 0.444 CA 1.147 Z: 6 3.498 1.245 0.973 0.773 1.000 0.800 CB 0.500 6 residues pruned to eliminate duplicates Z: 6 5.004 1.567 0.355 0.633 1.000 0.600 O 0.930 6 residues pruned to eliminate duplicates Z: 19 30.594 2.454 1.185 0.431 0.889 0.722 CB 1.624 19 residues pruned to eliminate duplicates Z: 66 66.081 2.431 1.314 0.564 0.908 0.692 CB 1.508 66 residues pruned to eliminate duplicates Z: 11 21.137 1.949 0.930 0.768 1.000 0.800 CA 1.401 11 residues pruned to eliminate duplicates Z: 10 19.740 1.945 0.948 0.894 1.000 0.667 CB 1.246 10 residues pruned to eliminate duplicates Z: 8 17.057 2.144 1.149 0.550 0.857 0.714 CB 1.555 8 residues pruned to eliminate duplicates Z: 6 8.307 2.224 -0.339 0.856 1.000 0.800 CB 1.864 6 residues pruned to eliminate duplicates Z: 20 52.248 2.294 1.307 0.930 1.000 0.842 CB 1.584 20 residues pruned to eliminate duplicates Z: 24 28.304 2.160 0.984 0.412 1.000 0.522 CB 1.510 24 residues pruned to eliminate duplicates Z: 15 29.717 2.213 0.726 0.935 0.929 0.857 CB 1.561 15 residues pruned to eliminate duplicates Z: 38 32.680 2.111 0.831 0.448 0.946 0.541 CB 1.549 38 residues pruned to eliminate duplicates Z: 14 17.553 1.797 0.583 0.898 1.000 0.846 CB 1.225 14 residues pruned to eliminate duplicates Z: 8 9.983 1.971 0.967 0.822 0.857 0.714 CB 0.859 Z: 87 69.702 2.375 1.057 0.580 0.930 0.616 CB 1.531 87 residues pruned to eliminate duplicates Z: 76 48.254 2.260 0.889 0.442 0.893 0.533 CB 1.550 76 residues pruned to eliminate duplicates Z: 79 52.772 2.265 0.928 0.426 0.910 0.551 CB 1.624 79 residues pruned to eliminate duplicates Z: 18 29.309 2.168 0.547 0.822 1.000 0.706 CB 1.604 18 residues pruned to eliminate duplicates Z: 8 11.332 2.144 -0.083 0.707 1.000 0.714 O 1.806 Z: 25 28.976 2.196 1.152 0.462 0.917 0.708 CB 1.421 25 residues pruned to eliminate duplicates Z: 43 32.850 2.113 0.696 0.515 0.905 0.548 CB 1.541 43 residues pruned to eliminate duplicates Z: 12 18.526 2.066 0.666 0.701 0.818 0.818 CB 1.652 24 residues pruned to eliminate duplicates Z: 99 61.502 2.317 1.009 0.445 0.878 0.592 CB 1.609 99 residues pruned to eliminate duplicates Z: 12 33.839 2.295 1.296 0.866 1.000 0.455 CB 1.417 12 residues pruned to eliminate duplicates Z: 6 3.492 1.911 -0.142 0.599 0.800 0.400 CB 1.084 Z: 31 59.874 2.423 1.222 0.740 0.967 0.733 CB 1.694 31 residues pruned to eliminate duplicates Z: 13 35.733 2.372 0.882 0.683 1.000 0.667 CB 1.953 13 residues pruned to eliminate duplicates Z: 20 32.990 2.242 0.483 0.922 1.000 0.842 CA 1.601 20 residues pruned to eliminate duplicates Z: 17 29.091 2.119 0.716 0.893 0.938 0.688 CB 1.531 17 residues pruned to eliminate duplicates Z: 178 74.020 2.189 1.006 0.462 0.893 0.542 CB 1.475 178 residues pruned to eliminate duplicates Z: 16 31.911 2.163 0.918 0.922 0.933 0.733 CB 1.496 16 residues pruned to eliminate duplicates Z: 6 9.536 1.735 1.095 0.520 1.000 0.600 CB 1.150 6 residues pruned to eliminate duplicates Z: 10 20.205 1.998 0.806 0.720 0.889 0.667 CA 1.721 Z: 36 31.695 2.178 0.673 0.535 0.886 0.657 CB 1.604 36 residues pruned to eliminate duplicates Z: 13 20.467 1.849 1.001 0.931 1.000 0.833 CB 1.116 13 residues pruned to eliminate duplicates Z: 18 37.982 2.327 0.819 0.901 1.000 0.471 CB 1.554 18 residues pruned to eliminate duplicates Z: 17 25.883 2.093 0.603 0.843 0.938 0.750 CB 1.532 17 residues pruned to eliminate duplicates Z: 8 8.457 1.934 0.544 0.733 0.857 0.714 N 1.013 Z: 14 15.030 1.785 0.539 0.837 1.000 0.615 CB 1.135 14 residues pruned to eliminate duplicates Z: 24 12.498 1.872 0.578 0.410 0.870 0.522 CB 1.115 24 residues pruned to eliminate duplicates Z: 23 25.551 2.041 1.181 0.534 0.909 0.591 CB 1.302 23 residues pruned to eliminate duplicates Z: 23 29.417 2.344 1.169 0.354 0.909 0.591 CB 1.589 23 residues pruned to eliminate duplicates Z: 40 38.124 2.181 1.042 0.532 0.897 0.487 CB 1.480 40 residues pruned to eliminate duplicates Z: 23 28.551 2.442 1.112 0.333 0.864 0.636 CB 1.640 23 residues pruned to eliminate duplicates Z: 20 28.351 2.238 1.107 0.511 0.895 0.684 CB 1.526 20 residues pruned to eliminate duplicates Z: 47 41.674 2.182 0.881 0.532 0.913 0.522 CB 1.588 47 residues pruned to eliminate duplicates Z: 37 33.411 2.152 1.019 0.502 0.833 0.500 CB 1.536 37 residues pruned to eliminate duplicates Z: 83 51.127 2.241 0.926 0.424 0.902 0.585 CB 1.569 83 residues pruned to eliminate duplicates Z: 17 20.592 2.145 0.353 0.790 0.875 0.562 CB 1.572 17 residues pruned to eliminate duplicates Z: 37 26.106 2.041 0.741 0.416 0.889 0.528 CB 1.504 37 residues pruned to eliminate duplicates Z: 37 33.223 2.138 0.898 0.475 0.917 0.500 CB 1.527 37 residues pruned to eliminate duplicates Z: 57 38.645 2.075 1.106 0.452 0.946 0.643 CB 1.312 57 residues pruned to eliminate duplicates Z: 14 20.648 1.992 0.776 0.673 0.923 0.769 CB 1.495 14 residues pruned to eliminate duplicates Z: 14 16.707 1.798 0.568 0.892 1.000 0.923 CB 1.181 14 residues pruned to eliminate duplicates Z: 14 17.636 1.806 0.724 0.872 1.000 0.846 CB 1.146 14 residues pruned to eliminate duplicates Z: 6 12.100 1.998 0.658 0.447 1.000 0.600 CB 1.724 6 residues pruned to eliminate duplicates Z: 99 60.379 2.323 0.944 0.430 0.888 0.571 CB 1.635 99 residues pruned to eliminate duplicates Z: 36 24.254 2.004 0.818 0.403 0.829 0.514 CB 1.504 36 residues pruned to eliminate duplicates Z: 6 4.380 1.763 -0.162 0.649 0.800 0.800 CB 1.442 Z: 12 22.486 2.264 0.928 0.724 0.818 0.727 CB 1.551 12 residues pruned to eliminate duplicates Z: 12 18.771 2.020 0.479 0.691 1.000 0.636 CA 1.590 9 residues pruned to eliminate duplicates Z: 27 45.395 2.271 1.215 0.722 0.962 0.808 CB 1.506 27 residues pruned to eliminate duplicates Z: 9 18.595 2.387 0.697 0.492 1.000 0.875 CB 1.635 9 residues pruned to eliminate duplicates Z: 14 16.149 1.930 0.889 0.516 0.846 0.462 CB 1.430 14 residues pruned to eliminate duplicates Z: 8 3.851 1.778 0.302 0.252 0.571 0.429 CB 1.464 8 residues pruned to eliminate duplicates Z: 20 48.217 2.344 1.080 0.932 0.947 0.842 CB 1.672 20 residues pruned to eliminate duplicates Z: 59 38.994 2.151 0.809 0.509 0.897 0.534 CB 1.455 59 residues pruned to eliminate duplicates Z: 82 56.241 2.318 1.193 0.400 0.864 0.568 CB 1.580 82 residues pruned to eliminate duplicates Z: 11 19.782 2.143 1.541 0.656 0.800 0.800 CB 1.243 11 residues pruned to eliminate duplicates Z: 9 13.935 2.048 0.838 0.552 0.875 0.625 CB 1.421 9 residues pruned to eliminate duplicates Z: 47 35.312 2.113 0.765 0.486 0.891 0.609 CB 1.589 47 residues pruned to eliminate duplicates Z: 9 6.404 2.002 -0.279 0.621 0.875 0.625 O 1.599 9 residues pruned to eliminate duplicates Z: 7 5.414 1.707 0.515 0.861 1.000 0.833 CB 0.628 7 residues pruned to eliminate duplicates Z: 70 53.535 2.332 0.941 0.440 0.913 0.609 CB 1.658 70 residues pruned to eliminate duplicates Z: 18 17.505 1.826 0.685 0.568 0.941 0.647 CB 1.373 18 residues pruned to eliminate duplicates Z: 11 6.909 1.519 0.587 0.533 0.900 0.600 CB 0.975 Z: 16 28.474 2.168 0.680 0.923 0.933 0.467 CB 1.520 16 residues pruned to eliminate duplicates Z: 10 21.341 1.887 1.066 0.888 1.000 0.444 CB 1.314 10 residues pruned to eliminate duplicates Z: 21 50.268 2.291 1.228 0.925 1.000 0.650 CB 1.545 21 residues pruned to eliminate duplicates Z: 35 36.023 2.225 0.925 0.497 0.912 0.559 CB 1.586 35 residues pruned to eliminate duplicates Z: 24 29.386 2.304 1.179 0.377 0.826 0.565 CB 1.684 24 residues pruned to eliminate duplicates Z: 6 3.334 1.425 0.323 0.471 0.800 0.400 N 1.018 Z: 20 19.372 1.951 0.726 0.540 0.947 0.737 CB 1.339 20 residues pruned to eliminate duplicates Z: 6 5.548 1.467 0.365 0.813 0.800 0.600 C 1.179 Z: 40 32.565 2.077 0.711 0.579 0.949 0.667 CB 1.434 40 residues pruned to eliminate duplicates Z: 7 8.550 1.814 0.941 0.445 0.833 0.500 CB 1.259 Z: 10 19.719 1.965 0.928 0.716 0.889 0.667 CA 1.606 10 residues pruned to eliminate duplicates Z: 19 38.066 2.307 0.627 0.948 1.000 0.944 CA 1.650 19 residues pruned to eliminate duplicates Z: 26 17.723 1.938 0.731 0.324 0.920 0.520 CB 1.394 26 residues pruned to eliminate duplicates Z: 18 17.931 2.014 0.501 0.752 0.765 0.353 CB 1.502 18 residues pruned to eliminate duplicates Z: 8 9.633 2.078 0.387 0.824 0.714 0.571 CB 1.336 8 residues pruned to eliminate duplicates Z: 55 31.023 2.022 0.845 0.437 0.870 0.537 CB 1.387 47 residues pruned to eliminate duplicates Z: 93 52.567 2.255 1.091 0.390 0.870 0.543 CB 1.501 93 residues pruned to eliminate duplicates Z: 20 31.690 2.205 0.503 0.926 1.000 0.947 CA 1.539 20 residues pruned to eliminate duplicates Z: 9 4.881 1.585 0.042 0.549 0.875 0.750 CB 1.138 Z: 6 2.125 1.623 -0.405 0.593 0.800 0.600 CA 1.125 Z: 7 3.582 1.678 0.102 0.381 0.667 0.667 CB 1.346 7 residues pruned to eliminate duplicates Z: 8 7.049 2.012 -0.157 0.714 0.857 0.857 N 1.510 8 residues pruned to eliminate duplicates Z: 19 21.976 1.998 0.926 0.499 0.944 0.667 CA 1.426 18 residues pruned to eliminate duplicates Z: 6 2.658 1.763 -0.236 0.466 1.000 0.600 CB 0.913 Z: 19 8.483 1.824 -0.086 0.521 0.889 0.556 CB 1.322 6 residues pruned to eliminate duplicates Z: 7 5.579 1.703 0.649 0.912 1.000 1.000 CB 0.574 7 residues pruned to eliminate duplicates Z: 9 5.973 1.548 0.392 0.380 0.875 0.750 C 1.272 9 residues pruned to eliminate duplicates Z: 6 4.895 1.620 0.455 0.790 1.000 0.800 CA 0.719 Z: 18 25.193 2.174 1.256 0.516 0.824 0.529 CB 1.488 18 residues pruned to eliminate duplicates Z: 108 72.076 2.327 1.075 0.557 0.888 0.589 CB 1.537 108 residues pruned to eliminate duplicates Z: 12 18.509 2.189 0.822 0.561 1.000 0.636 CB 1.318 12 residues pruned to eliminate duplicates Z: 14 11.866 1.912 0.747 0.467 0.846 0.538 CB 1.204 14 residues pruned to eliminate duplicates Z: 53 40.402 2.147 0.737 0.525 0.923 0.577 CB 1.587 53 residues pruned to eliminate duplicates Z: 92 70.817 2.336 1.044 0.575 0.912 0.538 CB 1.586 92 residues pruned to eliminate duplicates Z: 18 21.089 2.009 0.402 0.854 0.941 0.588 CB 1.425 18 residues pruned to eliminate duplicates Z: 20 27.398 2.099 0.640 0.805 0.895 0.632 CB 1.564 20 residues pruned to eliminate duplicates Z: 7 4.884 1.697 0.493 0.911 1.000 1.000 CB 0.558 7 residues pruned to eliminate duplicates Z: 39 34.736 2.193 1.214 0.413 0.868 0.605 CB 1.464 39 residues pruned to eliminate duplicates Z: 33 52.718 2.371 1.035 0.711 0.938 0.688 CB 1.701 33 residues pruned to eliminate duplicates Z: 16 31.238 2.206 0.541 0.858 1.000 0.867 CA 1.748 16 residues pruned to eliminate duplicates Z: 55 46.751 2.192 0.875 0.587 0.926 0.611 CB 1.537 55 residues pruned to eliminate duplicates Z: 17 23.392 2.066 0.751 0.857 0.812 0.438 CB 1.465 17 residues pruned to eliminate duplicates Z: 10 20.783 2.161 0.695 0.657 1.000 0.778 CA 1.635 10 residues pruned to eliminate duplicates Z: 22 29.146 2.476 1.097 0.318 0.857 0.762 CB 1.747 22 residues pruned to eliminate duplicates Z: 19 32.275 2.216 0.449 0.928 1.000 0.833 CA 1.658 19 residues pruned to eliminate duplicates Z: 37 36.924 2.163 0.929 0.502 0.917 0.528 CB 1.606 37 residues pruned to eliminate duplicates Z: 20 35.552 2.193 1.181 0.727 0.947 0.684 CB 1.467 20 residues pruned to eliminate duplicates Z: 16 9.120 1.922 0.483 0.389 0.667 0.533 CB 1.394 29 residues pruned to eliminate duplicates Z: 40 22.003 1.858 0.603 0.476 0.897 0.564 CB 1.350 40 residues pruned to eliminate duplicates Z: 7 4.698 1.716 0.505 0.791 0.667 0.333 CB 0.863 7 residues pruned to eliminate duplicates Z: 17 6.719 1.722 0.004 0.465 0.812 0.438 CB 1.239 17 residues pruned to eliminate duplicates Z: 21 30.408 2.082 0.882 0.737 1.000 0.950 CB 1.403 21 residues pruned to eliminate duplicates Z: 10 5.941 2.003 0.083 0.519 0.778 0.667 CB 1.152 10 residues pruned to eliminate duplicates Z: 17 27.209 2.249 0.962 0.618 0.875 0.500 CB 1.575 17 residues pruned to eliminate duplicates Z: 6 3.772 1.593 0.394 0.543 0.800 0.800 CB 0.910 Z: 13 13.849 2.050 0.098 0.692 0.917 0.667 CB 1.626 9 residues pruned to eliminate duplicates Z: 41 30.216 2.092 0.893 0.442 0.900 0.450 CB 1.423 23 residues pruned to eliminate duplicates Z: 6 3.654 1.820 -0.066 0.480 0.800 0.400 N 1.227 Z: 58 45.597 2.247 0.807 0.485 0.930 0.632 CB 1.624 58 residues pruned to eliminate duplicates Z: 9 3.813 1.651 -0.236 0.659 0.750 0.750 N 1.229 9 residues pruned to eliminate duplicates Z: 11 14.189 1.952 0.770 0.560 0.900 0.700 CB 1.361 11 residues pruned to eliminate duplicates Z: 29 31.926 2.186 0.988 0.595 0.821 0.536 CB 1.544 29 residues pruned to eliminate duplicates Z: 9 13.259 1.890 0.451 0.784 1.000 0.750 CB 1.332 9 residues pruned to eliminate duplicates Z: 12 5.339 1.531 0.597 0.296 0.818 0.545 CB 1.012 Z: 7 5.470 1.873 0.103 0.395 1.000 0.333 CB 1.208 10 residues pruned to eliminate duplicates Z: 6 3.861 1.306 0.337 0.520 0.800 0.400 CA 1.211 Z: 14 19.995 1.795 0.773 0.873 1.000 0.846 CB 1.268 14 residues pruned to eliminate duplicates Z: 6 2.296 1.920 0.288 0.678 0.800 0.800 CB 0.440 Z: 9 6.659 1.632 0.706 0.395 0.875 0.500 CB 1.079 11 residues pruned to eliminate duplicates Z: 7 11.538 1.757 0.552 0.723 1.000 0.833 CA 1.411 Z: 8 4.528 1.555 0.529 0.555 0.857 0.429 CB 0.796 Z: 12 8.562 1.652 0.941 0.398 0.818 0.727 CB 1.096 6 residues pruned to eliminate duplicates Z: 20 43.744 2.258 1.272 0.907 0.947 0.895 CB 1.468 20 residues pruned to eliminate duplicates Z: 6 2.656 1.339 0.380 0.297 0.800 0.800 CB 1.008 5 residues pruned to eliminate duplicates Z: 31 22.871 2.050 0.847 0.459 0.800 0.500 CB 1.437 31 residues pruned to eliminate duplicates Z: 9 7.531 1.757 0.518 0.628 0.875 0.625 CB 1.011 9 residues pruned to eliminate duplicates Z: 37 34.984 2.165 0.910 0.483 0.917 0.611 CB 1.566 37 residues pruned to eliminate duplicates Z: 43 29.697 2.034 0.729 0.548 0.857 0.595 CB 1.451 43 residues pruned to eliminate duplicates Z: 27 24.421 2.101 0.857 0.478 0.846 0.538 CB 1.483 27 residues pruned to eliminate duplicates Z: 10 5.946 1.783 0.548 0.417 0.667 0.444 N 1.175 6 residues pruned to eliminate duplicates Z: 10 19.379 2.053 0.971 0.669 0.889 0.778 CA 1.536 10 residues pruned to eliminate duplicates Z: 8 8.866 1.582 0.694 0.690 1.000 0.857 CB 1.050 8 residues pruned to eliminate duplicates Z: 11 16.604 1.993 0.634 0.622 0.900 0.600 CB 1.596 Z: 39 34.898 2.152 0.722 0.563 0.947 0.632 CB 1.517 39 residues pruned to eliminate duplicates Z: 70 66.653 2.405 1.020 0.624 0.884 0.609 CB 1.662 70 residues pruned to eliminate duplicates Z: 18 17.167 2.131 1.021 0.336 0.765 0.471 CB 1.512 18 residues pruned to eliminate duplicates Z: 17 7.924 1.781 0.190 0.510 0.750 0.500 CB 1.233 26 residues pruned to eliminate duplicates Z: 11 18.837 2.149 0.845 0.647 0.900 0.700 CA 1.455 11 residues pruned to eliminate duplicates Z: 13 12.507 1.992 0.893 0.578 0.750 0.500 CB 1.184 13 residues pruned to eliminate duplicates Z: 64 37.070 2.050 0.707 0.499 0.921 0.587 CB 1.451 64 residues pruned to eliminate duplicates Z: 10 7.135 1.727 -0.049 0.794 1.000 0.778 CB 1.119 10 residues pruned to eliminate duplicates Z: 12 6.739 1.686 0.577 0.354 0.727 0.455 CB 1.230 4 residues pruned to eliminate duplicates Z: 52 36.947 2.058 1.160 0.444 0.922 0.569 CB 1.337 52 residues pruned to eliminate duplicates Z: 12 5.375 1.669 0.015 0.427 0.818 0.364 N 1.261 6 residues pruned to eliminate duplicates Z: 17 34.572 2.162 1.019 0.772 1.000 0.562 CA 1.557 17 residues pruned to eliminate duplicates Z: 14 18.209 1.799 0.664 0.909 1.000 0.923 CB 1.198 14 residues pruned to eliminate duplicates Z: 9 9.184 1.523 0.743 0.698 1.000 0.750 CB 1.021 Z: 17 29.097 2.086 0.912 0.907 0.875 0.625 CB 1.482 17 residues pruned to eliminate duplicates Z: 9 7.083 1.871 -0.172 0.648 1.000 0.625 O 1.409 9 residues pruned to eliminate duplicates Z: 8 14.968 2.091 0.999 0.612 0.857 0.571 CA 1.420 8 residues pruned to eliminate duplicates Z: 52 44.755 2.269 0.764 0.517 0.941 0.588 CB 1.635 52 residues pruned to eliminate duplicates Z: 76 54.584 2.320 0.951 0.431 0.933 0.587 CB 1.603 76 residues pruned to eliminate duplicates Z: 6 2.831 1.696 0.695 0.422 0.800 0.400 CB 0.596 6 residues pruned to eliminate duplicates Z: 8 11.862 1.922 0.729 0.628 1.000 0.571 CA 1.196 8 residues pruned to eliminate duplicates Z: 10 13.162 1.933 0.782 0.494 0.889 0.556 N 1.442 10 residues pruned to eliminate duplicates Z: 41 35.791 2.369 1.072 0.350 0.875 0.575 CB 1.550 41 residues pruned to eliminate duplicates Z: 11 5.879 1.577 0.331 0.563 0.700 0.600 CB 1.190 11 residues pruned to eliminate duplicates Z: 7 11.041 1.897 0.458 0.740 1.000 0.833 N 1.314 Z: 15 8.382 1.761 0.630 0.549 0.786 0.500 CB 0.947 15 residues pruned to eliminate duplicates Z: 41 63.328 2.402 1.320 0.668 0.975 0.850 CB 1.578 41 residues pruned to eliminate duplicates Z: 14 12.331 1.732 0.710 0.812 0.846 0.538 CB 1.040 14 residues pruned to eliminate duplicates Z: 15 30.264 2.200 0.560 0.905 1.000 0.786 CB 1.678 15 residues pruned to eliminate duplicates Z: 11 14.300 1.950 1.359 0.389 0.800 0.500 CA 1.382 11 residues pruned to eliminate duplicates Z: 14 16.113 1.981 0.907 0.284 1.000 0.615 CB 1.510 14 residues pruned to eliminate duplicates Z: 54 30.501 1.992 0.745 0.480 0.906 0.491 CB 1.359 54 residues pruned to eliminate duplicates Z: 35 31.681 2.179 0.948 0.557 0.882 0.500 CB 1.372 35 residues pruned to eliminate duplicates Z: 9 14.761 2.013 1.014 0.740 0.875 0.750 N 1.186 Z: 10 7.766 1.830 0.564 0.336 0.778 0.667 CB 1.390 10 residues pruned to eliminate duplicates Z: 10 6.755 1.781 0.517 0.681 0.778 0.667 CB 0.907 10 residues pruned to eliminate duplicates Z: 6 4.485 1.648 0.472 0.328 0.800 0.400 N 1.248 Z: 9 6.814 1.561 0.282 0.854 1.000 0.750 CB 0.889 9 residues pruned to eliminate duplicates Z: 29 54.917 2.415 1.340 0.672 0.893 0.571 CB 1.756 29 residues pruned to eliminate duplicates Z: 18 31.269 2.236 0.878 0.722 1.000 0.941 CB 1.478 18 residues pruned to eliminate duplicates Z: 71 49.002 2.321 0.906 0.405 0.886 0.543 CB 1.653 71 residues pruned to eliminate duplicates Z: 6 2.304 1.356 0.405 0.297 0.800 0.400 CB 0.848 Z: 6 3.469 1.335 0.667 0.348 0.800 0.600 CA 1.028 Z: 9 7.396 1.403 0.705 0.577 1.000 0.500 CB 1.015 9 residues pruned to eliminate duplicates Z: 9 6.105 1.647 0.392 0.397 0.875 0.500 CB 1.200 Z: 19 19.952 2.096 0.789 0.471 0.944 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 7 15.401 2.089 0.760 0.786 1.000 0.833 CA 1.330 7 residues pruned to eliminate duplicates Z: 44 37.705 2.181 1.174 0.444 0.860 0.512 CB 1.493 44 residues pruned to eliminate duplicates 406 residues left after pruning, divided into chains as follows: A: 58 B: 335 C: 7 D: 6 CC for partial structure against native data = 42.76 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.606, Connect. = 0.751 for dens.mod. cycle 1 = 0.300, Contrast = 0.703, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.839, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.861, Connect. = 0.807 for dens.mod. cycle 4 = 0.300, Contrast = 0.879, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.886, Connect. = 0.811 for dens.mod. cycle 6 = 0.300, Contrast = 0.893, Connect. = 0.812 for dens.mod. cycle 7 = 0.300, Contrast = 0.896, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.898, Connect. = 0.814 for dens.mod. cycle 9 = 0.300, Contrast = 0.899, Connect. = 0.814 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2544 peaks > 0.5 sigma used to seed fragment search Space for about 666 unique residues taking solvent into account 561 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 117 68.402 2.345 0.951 0.443 0.905 0.586 CB 1.626 B: 71 53.420 2.390 0.785 0.436 0.929 0.614 CB 1.721 71 residues pruned to eliminate duplicates C: 19 47.322 2.356 1.085 0.896 0.944 0.556 CB 1.722 D: 14 23.400 2.394 1.056 0.436 0.846 0.538 CB 1.665 E: 13 29.170 2.319 1.300 0.556 0.917 0.833 CB 1.632 15 residues pruned to eliminate duplicates F: 54 46.331 2.322 0.671 0.503 0.925 0.679 CB 1.769 54 residues pruned to eliminate duplicates G: 86 84.824 2.509 1.082 0.613 0.906 0.612 CB 1.747 H: 38 53.283 2.379 1.047 0.697 0.946 0.622 CB 1.589 I: 25 49.056 2.432 1.384 0.617 0.875 0.667 CB 1.767 25 residues pruned to eliminate duplicates J: 24 49.330 2.467 1.307 0.632 0.870 0.565 CA 1.836 24 residues pruned to eliminate duplicates K: 19 50.192 2.424 0.899 0.940 1.000 0.778 CB 1.784 19 residues pruned to eliminate duplicates L: 20 55.496 2.432 1.308 0.930 0.947 0.789 CB 1.674 20 residues pruned to eliminate duplicates M: 21 59.246 2.342 1.391 0.940 1.000 0.800 CB 1.643 21 residues pruned to eliminate duplicates N: 79 56.847 2.363 0.850 0.432 0.910 0.590 CB 1.736 72 residues pruned to eliminate duplicates O: 72 48.420 2.320 0.712 0.515 0.915 0.521 CB 1.557 64 residues pruned to eliminate duplicates P: 7 11.349 2.073 0.659 0.727 0.833 0.333 CA 1.318 7 residues pruned to eliminate duplicates Q: 196 85.331 2.242 0.857 0.517 0.944 0.549 CB 1.530 195 residues pruned to eliminate duplicates R: 35 42.149 2.354 1.053 0.609 0.882 0.618 CB 1.528 S: 21 53.467 2.334 1.180 0.921 1.000 0.700 CB 1.654 21 residues pruned to eliminate duplicates T: 42 37.955 2.210 1.043 0.505 0.902 0.610 CB 1.448 42 residues pruned to eliminate duplicates U: 18 53.026 2.490 1.317 0.946 0.941 0.706 CB 1.638 18 residues pruned to eliminate duplicates V: 20 53.932 2.333 1.059 0.940 1.000 0.789 CA 1.789 19 residues pruned to eliminate duplicates W: 12 32.678 2.449 1.141 0.583 0.909 0.636 CB 1.909 13 residues pruned to eliminate duplicates X: 18 49.267 2.444 0.874 0.937 1.000 0.647 CB 1.816 18 residues pruned to eliminate duplicates Y: 20 46.439 2.302 0.843 0.942 1.000 0.789 CA 1.741 20 residues pruned to eliminate duplicates Z: 21 54.936 2.335 1.184 0.941 1.000 0.750 CB 1.672 21 residues pruned to eliminate duplicates Z: 8 19.556 2.295 0.720 0.694 0.857 0.714 CB 1.829 Z: 49 40.255 2.189 1.052 0.474 0.938 0.646 CB 1.418 41 residues pruned to eliminate duplicates Z: 18 22.731 2.254 0.988 0.492 0.882 0.529 CB 1.406 18 residues pruned to eliminate duplicates Z: 103 73.936 2.328 0.971 0.575 0.941 0.618 CB 1.577 103 residues pruned to eliminate duplicates Z: 19 54.382 2.443 1.001 0.942 1.000 0.722 CA 1.818 19 residues pruned to eliminate duplicates Z: 18 43.692 2.417 0.844 0.900 1.000 0.765 CA 1.699 18 residues pruned to eliminate duplicates Z: 103 69.322 2.357 0.868 0.552 0.912 0.549 CB 1.626 103 residues pruned to eliminate duplicates Z: 19 56.190 2.438 1.094 0.956 1.000 0.611 CB 1.782 20 residues pruned to eliminate duplicates Z: 6 7.367 2.053 0.118 0.532 0.800 0.600 C 1.740 6 residues pruned to eliminate duplicates Z: 23 22.132 2.102 0.876 0.560 0.864 0.591 CB 1.307 23 residues pruned to eliminate duplicates Z: 76 55.847 2.349 0.820 0.463 0.960 0.600 CB 1.632 76 residues pruned to eliminate duplicates Z: 6 10.334 2.193 1.152 0.621 0.800 0.600 CA 1.092 6 residues pruned to eliminate duplicates Z: 21 53.470 2.337 1.172 0.921 1.000 0.750 CB 1.658 21 residues pruned to eliminate duplicates Z: 45 37.272 2.200 1.174 0.427 0.909 0.636 CB 1.394 45 residues pruned to eliminate duplicates Z: 16 36.192 2.458 1.375 0.485 0.867 0.667 CB 1.875 16 residues pruned to eliminate duplicates Z: 93 68.767 2.404 0.958 0.555 0.902 0.576 CB 1.601 93 residues pruned to eliminate duplicates Z: 18 54.684 2.449 1.067 0.938 1.000 0.706 CB 1.822 18 residues pruned to eliminate duplicates Z: 101 74.324 2.353 0.894 0.591 0.930 0.630 CB 1.644 101 residues pruned to eliminate duplicates Z: 13 13.886 2.162 0.885 0.477 0.750 0.333 CB 1.342 6 residues pruned to eliminate duplicates Z: 10 22.778 2.292 0.895 0.732 1.000 0.778 CB 1.419 13 residues pruned to eliminate duplicates Z: 32 50.030 2.392 1.164 0.640 0.935 0.645 CB 1.629 28 residues pruned to eliminate duplicates Z: 10 10.959 2.061 0.453 0.514 0.778 0.444 CB 1.547 10 residues pruned to eliminate duplicates Z: 20 49.172 2.292 1.124 0.909 0.947 0.579 CB 1.735 20 residues pruned to eliminate duplicates Z: 21 55.410 2.309 1.334 0.921 1.000 0.800 CB 1.618 21 residues pruned to eliminate duplicates Z: 18 27.435 2.160 0.401 0.817 1.000 0.706 CA 1.670 18 residues pruned to eliminate duplicates Z: 16 28.985 2.308 0.956 0.515 0.933 0.533 CB 1.750 16 residues pruned to eliminate duplicates Z: 25 20.885 2.100 0.641 0.595 0.917 0.500 CB 1.233 25 residues pruned to eliminate duplicates Z: 21 57.041 2.336 1.289 0.924 1.000 0.800 CB 1.675 21 residues pruned to eliminate duplicates Z: 18 51.839 2.447 1.128 0.950 0.941 0.706 CB 1.770 18 residues pruned to eliminate duplicates Z: 43 52.761 2.234 1.091 0.685 0.952 0.571 CB 1.544 33 residues pruned to eliminate duplicates Z: 32 40.585 2.383 0.664 0.654 0.935 0.516 CB 1.702 32 residues pruned to eliminate duplicates Z: 17 25.979 2.235 0.354 0.815 1.000 0.688 CA 1.633 17 residues pruned to eliminate duplicates Z: 13 23.712 2.365 0.663 0.674 0.917 0.500 CB 1.618 13 residues pruned to eliminate duplicates Z: 20 52.478 2.286 1.195 0.946 0.947 0.579 CB 1.751 20 residues pruned to eliminate duplicates Z: 7 13.365 2.156 0.720 0.460 1.000 0.500 CA 1.534 7 residues pruned to eliminate duplicates Z: 17 31.956 2.191 0.608 0.868 1.000 0.688 CB 1.658 17 residues pruned to eliminate duplicates Z: 8 6.394 1.884 0.840 0.213 0.714 0.429 C 1.368 8 residues pruned to eliminate duplicates Z: 10 15.344 2.260 1.369 0.372 0.667 0.444 CB 1.643 10 residues pruned to eliminate duplicates Z: 17 29.872 2.145 0.564 0.856 1.000 0.688 CA 1.641 17 residues pruned to eliminate duplicates Z: 17 27.345 2.191 0.596 0.778 0.938 0.750 CA 1.632 17 residues pruned to eliminate duplicates Z: 37 40.728 2.169 0.904 0.621 0.944 0.528 CB 1.553 61 residues pruned to eliminate duplicates Z: 92 89.740 2.497 1.123 0.612 0.934 0.692 CB 1.708 98 residues pruned to eliminate duplicates Z: 30 53.366 2.358 1.168 0.706 0.931 0.690 CB 1.726 30 residues pruned to eliminate duplicates Z: 17 30.406 2.249 0.613 0.801 0.938 0.562 CA 1.718 17 residues pruned to eliminate duplicates Z: 20 53.801 2.385 1.497 0.942 0.947 0.789 CB 1.517 20 residues pruned to eliminate duplicates Z: 12 22.478 2.305 0.239 0.940 1.000 0.727 CA 1.648 12 residues pruned to eliminate duplicates Z: 15 27.241 2.236 0.364 0.841 1.000 0.714 CB 1.780 15 residues pruned to eliminate duplicates Z: 59 51.246 2.298 0.904 0.555 0.914 0.621 CB 1.596 114 residues pruned to eliminate duplicates Z: 34 44.068 2.327 0.822 0.619 0.970 0.697 CB 1.667 34 residues pruned to eliminate duplicates Z: 20 56.689 2.443 1.235 0.942 1.000 0.632 CB 1.651 20 residues pruned to eliminate duplicates Z: 21 58.439 2.316 1.398 0.918 1.000 0.750 CB 1.658 21 residues pruned to eliminate duplicates Z: 30 27.698 2.052 0.704 0.587 0.966 0.586 CB 1.402 30 residues pruned to eliminate duplicates Z: 34 44.911 2.373 1.103 0.649 0.848 0.667 CB 1.607 Z: 10 18.319 1.999 0.844 0.676 1.000 0.667 CB 1.409 Z: 9 22.795 2.253 0.955 0.881 0.875 0.875 CB 1.514 9 residues pruned to eliminate duplicates Z: 7 17.175 2.002 0.830 0.790 1.000 0.833 CB 1.484 7 residues pruned to eliminate duplicates Z: 14 30.331 2.412 0.497 0.854 1.000 0.769 CA 1.719 14 residues pruned to eliminate duplicates Z: 20 30.335 2.272 0.392 0.930 0.947 0.684 CA 1.625 Z: 10 21.889 2.171 0.858 0.801 1.000 0.778 CA 1.390 Z: 22 28.056 2.209 0.694 0.704 1.000 0.619 CB 1.359 18 residues pruned to eliminate duplicates Z: 17 27.635 2.176 0.530 0.857 0.938 0.625 CB 1.631 17 residues pruned to eliminate duplicates Z: 17 27.180 2.162 0.492 0.849 0.938 0.812 CA 1.666 17 residues pruned to eliminate duplicates Z: 60 56.391 2.430 1.087 0.578 0.898 0.610 CB 1.495 60 residues pruned to eliminate duplicates Z: 8 17.380 2.218 0.378 0.899 1.000 0.857 CB 1.536 8 residues pruned to eliminate duplicates Z: 12 8.891 1.945 0.614 0.461 0.727 0.455 CB 1.222 9 residues pruned to eliminate duplicates Z: 93 81.494 2.451 1.077 0.625 0.913 0.576 CB 1.625 93 residues pruned to eliminate duplicates Z: 102 70.205 2.396 1.090 0.408 0.941 0.564 CB 1.633 111 residues pruned to eliminate duplicates Z: 9 19.651 2.002 0.656 0.815 1.000 0.625 CB 1.594 9 residues pruned to eliminate duplicates Z: 10 16.158 1.895 0.451 0.756 1.000 0.556 CA 1.560 10 residues pruned to eliminate duplicates Z: 33 53.001 2.400 0.999 0.672 0.938 0.500 CB 1.777 20 residues pruned to eliminate duplicates Z: 6 2.145 1.980 -0.375 0.544 0.600 0.600 C 1.237 Z: 21 50.211 2.309 1.043 0.921 1.000 0.800 CB 1.675 21 residues pruned to eliminate duplicates Z: 17 26.996 2.182 0.377 0.870 1.000 0.812 CB 1.639 17 residues pruned to eliminate duplicates Z: 8 20.777 2.297 0.736 0.737 0.857 0.714 CB 1.858 5 residues pruned to eliminate duplicates Z: 68 73.869 2.551 1.186 0.570 0.910 0.642 CB 1.662 68 residues pruned to eliminate duplicates Z: 115 86.413 2.395 1.122 0.597 0.930 0.632 CB 1.561 115 residues pruned to eliminate duplicates Z: 51 37.612 2.121 1.001 0.440 0.960 0.640 CB 1.388 40 residues pruned to eliminate duplicates Z: 8 14.370 1.823 0.945 0.810 1.000 0.571 CB 1.169 8 residues pruned to eliminate duplicates Z: 18 28.730 2.138 0.710 0.839 0.882 0.647 CB 1.613 18 residues pruned to eliminate duplicates Z: 31 25.929 2.194 0.707 0.461 0.800 0.433 CA 1.644 11 residues pruned to eliminate duplicates Z: 13 16.659 1.964 0.891 0.616 0.750 0.583 CA 1.547 11 residues pruned to eliminate duplicates Z: 101 69.438 2.378 0.941 0.567 0.870 0.590 CB 1.621 101 residues pruned to eliminate duplicates Z: 16 27.814 2.224 0.494 0.823 1.000 0.667 CB 1.634 16 residues pruned to eliminate duplicates Z: 73 53.935 2.390 0.816 0.453 0.903 0.611 CB 1.703 73 residues pruned to eliminate duplicates Z: 52 69.885 2.520 1.105 0.617 0.961 0.725 CB 1.720 52 residues pruned to eliminate duplicates Z: 8 12.249 2.120 0.689 0.782 0.857 0.571 CA 1.176 8 residues pruned to eliminate duplicates Z: 10 12.932 1.946 0.548 0.536 0.889 0.444 CA 1.554 10 residues pruned to eliminate duplicates Z: 8 14.454 2.116 0.333 0.817 1.000 0.714 CB 1.471 8 residues pruned to eliminate duplicates Z: 19 41.527 2.410 0.613 0.942 1.000 0.833 CA 1.746 19 residues pruned to eliminate duplicates Z: 10 19.463 2.179 0.467 0.835 1.000 0.556 CA 1.520 10 residues pruned to eliminate duplicates Z: 17 20.935 2.155 0.286 0.771 0.938 0.750 CA 1.585 17 residues pruned to eliminate duplicates Z: 16 17.225 2.151 0.489 0.530 0.933 0.667 CB 1.444 16 residues pruned to eliminate duplicates Z: 17 25.614 2.198 0.367 0.866 0.938 0.688 CB 1.665 17 residues pruned to eliminate duplicates Z: 11 12.193 2.013 0.250 0.730 0.900 0.700 CA 1.384 11 residues pruned to eliminate duplicates Z: 34 28.572 2.157 0.623 0.447 0.909 0.485 CB 1.651 30 residues pruned to eliminate duplicates Z: 12 27.698 2.428 1.248 0.591 0.909 0.727 CB 1.543 14 residues pruned to eliminate duplicates Z: 10 18.054 1.949 1.247 0.692 0.778 0.667 CB 1.483 13 residues pruned to eliminate duplicates Z: 20 37.987 2.269 0.548 0.929 1.000 0.789 CB 1.736 20 residues pruned to eliminate duplicates Z: 17 27.890 2.179 0.522 0.856 0.938 0.688 CB 1.653 17 residues pruned to eliminate duplicates Z: 11 16.956 2.037 0.546 0.778 0.900 0.400 CA 1.481 11 residues pruned to eliminate duplicates Z: 8 13.653 2.110 0.488 0.811 0.857 0.857 CA 1.463 8 residues pruned to eliminate duplicates Z: 20 58.189 2.452 1.237 0.949 1.000 0.737 CB 1.680 20 residues pruned to eliminate duplicates Z: 33 42.616 2.348 1.206 0.453 0.938 0.562 CB 1.627 33 residues pruned to eliminate duplicates Z: 11 19.360 1.994 0.712 0.714 1.000 0.600 CA 1.478 11 residues pruned to eliminate duplicates Z: 8 8.493 2.011 0.601 0.507 0.714 0.714 CA 1.386 8 residues pruned to eliminate duplicates Z: 6 9.345 1.677 1.140 0.818 1.000 0.800 CA 0.884 6 residues pruned to eliminate duplicates Z: 117 58.734 2.219 0.834 0.451 0.914 0.595 CB 1.541 117 residues pruned to eliminate duplicates Z: 17 26.346 2.153 0.465 0.852 0.938 0.750 CB 1.648 17 residues pruned to eliminate duplicates Z: 26 42.435 2.372 1.146 0.612 0.920 0.760 CB 1.630 64 residues pruned to eliminate duplicates Z: 12 10.320 1.891 0.572 0.362 0.818 0.636 CB 1.484 12 residues pruned to eliminate duplicates Z: 32 46.070 2.393 1.283 0.588 0.871 0.548 CB 1.598 Z: 23 28.486 2.222 0.780 0.499 0.909 0.591 CB 1.690 23 residues pruned to eliminate duplicates Z: 24 34.901 2.224 1.034 0.715 0.870 0.478 CB 1.523 24 residues pruned to eliminate duplicates Z: 6 5.263 1.591 0.364 0.835 1.000 0.600 CA 0.812 6 residues pruned to eliminate duplicates Z: 36 44.790 2.381 1.056 0.615 0.886 0.629 CB 1.567 27 residues pruned to eliminate duplicates Z: 8 6.014 1.902 -0.070 0.540 0.857 0.571 O 1.442 Z: 20 50.463 2.406 1.115 0.931 1.000 0.842 CB 1.590 20 residues pruned to eliminate duplicates Z: 18 25.835 2.121 0.451 0.851 0.941 0.765 CB 1.601 18 residues pruned to eliminate duplicates Z: 28 47.067 2.370 1.133 0.670 0.963 0.667 CB 1.590 29 residues pruned to eliminate duplicates Z: 19 43.489 2.369 1.016 0.933 0.944 0.611 CB 1.586 19 residues pruned to eliminate duplicates Z: 26 26.822 2.206 1.158 0.403 0.840 0.480 CB 1.485 26 residues pruned to eliminate duplicates Z: 9 25.200 2.037 0.967 0.913 1.000 0.625 CB 1.574 9 residues pruned to eliminate duplicates Z: 86 57.848 2.343 0.931 0.431 0.929 0.624 CB 1.603 86 residues pruned to eliminate duplicates Z: 86 74.408 2.444 0.963 0.590 0.929 0.576 CB 1.659 86 residues pruned to eliminate duplicates Z: 17 27.580 2.172 0.514 0.869 0.938 0.750 CB 1.634 17 residues pruned to eliminate duplicates Z: 9 13.768 1.921 0.760 0.836 0.875 0.875 CB 1.231 9 residues pruned to eliminate duplicates Z: 16 20.111 2.226 0.832 0.405 0.867 0.533 CB 1.623 16 residues pruned to eliminate duplicates Z: 72 50.717 2.282 0.859 0.433 0.930 0.563 CB 1.635 72 residues pruned to eliminate duplicates Z: 9 19.109 2.245 0.806 0.871 0.875 0.750 CB 1.389 9 residues pruned to eliminate duplicates Z: 15 18.363 1.873 0.897 0.601 0.929 0.571 CB 1.350 13 residues pruned to eliminate duplicates Z: 19 23.845 2.038 0.515 0.861 0.889 0.611 CB 1.505 19 residues pruned to eliminate duplicates Z: 20 25.140 2.099 0.810 0.593 0.895 0.579 CB 1.552 20 residues pruned to eliminate duplicates Z: 9 27.225 2.237 0.947 0.893 1.000 0.750 CB 1.587 9 residues pruned to eliminate duplicates Z: 160 69.904 2.214 0.915 0.450 0.918 0.553 CB 1.499 160 residues pruned to eliminate duplicates Z: 63 49.534 2.334 0.779 0.485 0.935 0.661 CB 1.645 63 residues pruned to eliminate duplicates Z: 99 67.116 2.375 0.968 0.443 0.929 0.653 CB 1.657 99 residues pruned to eliminate duplicates Z: 16 17.552 2.093 0.647 0.538 0.867 0.533 CB 1.461 16 residues pruned to eliminate duplicates Z: 98 66.530 2.380 0.849 0.566 0.907 0.649 CB 1.587 98 residues pruned to eliminate duplicates Z: 11 13.167 1.760 0.529 0.770 0.900 0.800 CB 1.353 11 residues pruned to eliminate duplicates Z: 106 67.923 2.340 0.944 0.514 0.914 0.638 CB 1.571 106 residues pruned to eliminate duplicates Z: 19 31.297 2.401 1.063 0.444 0.944 0.500 CB 1.670 19 residues pruned to eliminate duplicates Z: 11 10.898 1.951 0.425 0.628 0.800 0.700 CB 1.374 11 residues pruned to eliminate duplicates Z: 91 51.753 2.288 0.848 0.395 0.900 0.544 CB 1.601 91 residues pruned to eliminate duplicates Z: 33 33.506 2.277 0.873 0.425 0.875 0.531 CB 1.715 30 residues pruned to eliminate duplicates Z: 37 36.070 2.160 0.824 0.494 0.944 0.528 CB 1.625 33 residues pruned to eliminate duplicates Z: 8 10.478 2.107 0.223 0.791 0.857 0.571 CA 1.388 8 residues pruned to eliminate duplicates Z: 18 28.684 2.133 0.524 0.885 0.941 0.765 CB 1.642 18 residues pruned to eliminate duplicates Z: 33 32.720 2.424 1.120 0.326 0.844 0.562 CB 1.616 33 residues pruned to eliminate duplicates Z: 17 23.860 2.157 0.384 0.859 0.938 0.750 CB 1.569 17 residues pruned to eliminate duplicates Z: 21 40.197 2.266 1.167 0.752 1.000 0.650 CB 1.462 25 residues pruned to eliminate duplicates Z: 18 27.047 2.129 0.400 0.868 1.000 0.706 CB 1.609 18 residues pruned to eliminate duplicates Z: 116 76.314 2.374 0.973 0.577 0.896 0.557 CB 1.575 116 residues pruned to eliminate duplicates Z: 56 65.361 2.437 1.051 0.616 0.945 0.691 CB 1.671 56 residues pruned to eliminate duplicates Z: 21 42.547 2.356 1.134 0.607 0.950 0.700 CB 1.799 21 residues pruned to eliminate duplicates Z: 41 28.555 2.141 0.797 0.445 0.800 0.525 CB 1.552 41 residues pruned to eliminate duplicates Z: 41 42.844 2.243 1.023 0.570 0.900 0.600 CB 1.550 41 residues pruned to eliminate duplicates Z: 57 59.796 2.333 1.166 0.658 0.857 0.607 CB 1.594 78 residues pruned to eliminate duplicates Z: 8 11.475 2.065 0.750 0.549 0.714 0.714 CB 1.601 8 residues pruned to eliminate duplicates Z: 19 39.985 2.404 0.603 0.915 1.000 0.889 CA 1.728 19 residues pruned to eliminate duplicates Z: 17 25.816 2.162 0.379 0.873 1.000 0.688 CB 1.576 17 residues pruned to eliminate duplicates Z: 23 10.084 1.696 0.549 0.376 0.818 0.500 CB 1.142 7 residues pruned to eliminate duplicates Z: 36 52.025 2.315 1.009 0.677 0.943 0.457 CB 1.703 36 residues pruned to eliminate duplicates Z: 9 5.189 1.767 0.058 0.371 0.750 0.500 N 1.501 Z: 36 33.837 2.189 0.879 0.474 0.886 0.629 CB 1.612 36 residues pruned to eliminate duplicates Z: 8 6.725 1.989 -0.259 0.699 0.857 0.571 C 1.677 9 residues pruned to eliminate duplicates Z: 6 2.687 1.776 0.154 0.615 0.600 0.400 CB 0.877 6 residues pruned to eliminate duplicates Z: 17 24.861 2.145 0.341 0.865 1.000 0.688 CB 1.582 17 residues pruned to eliminate duplicates Z: 8 4.037 1.901 0.381 0.478 1.000 0.286 CB 0.594 Z: 10 7.479 2.039 0.412 0.661 0.667 0.556 CB 1.119 10 residues pruned to eliminate duplicates Z: 55 33.710 2.085 0.619 0.528 0.926 0.556 CB 1.428 55 residues pruned to eliminate duplicates Z: 33 39.710 2.502 1.067 0.382 0.906 0.688 CB 1.699 33 residues pruned to eliminate duplicates Z: 37 27.324 2.172 0.663 0.449 0.833 0.583 CB 1.595 37 residues pruned to eliminate duplicates Z: 19 24.228 2.163 0.276 0.904 1.000 0.667 CB 1.474 19 residues pruned to eliminate duplicates Z: 85 53.451 2.337 0.893 0.413 0.893 0.583 CB 1.617 85 residues pruned to eliminate duplicates Z: 9 17.460 1.961 0.531 0.839 1.000 1.000 CB 1.536 9 residues pruned to eliminate duplicates Z: 9 8.598 1.798 0.510 0.414 0.875 0.625 CB 1.400 9 residues pruned to eliminate duplicates Z: 30 24.527 2.101 0.716 0.461 0.897 0.448 CB 1.466 30 residues pruned to eliminate duplicates Z: 98 68.670 2.368 0.917 0.571 0.907 0.660 CB 1.580 98 residues pruned to eliminate duplicates Z: 16 11.085 1.997 -0.111 0.693 0.867 0.600 O 1.559 Z: 62 52.661 2.308 1.147 0.462 0.934 0.574 CB 1.514 62 residues pruned to eliminate duplicates Z: 17 29.288 2.182 0.632 0.856 0.938 0.625 CB 1.617 17 residues pruned to eliminate duplicates Z: 10 15.423 1.944 0.453 0.909 1.000 0.889 CB 1.292 10 residues pruned to eliminate duplicates Z: 30 43.937 2.335 1.128 0.658 0.897 0.621 CB 1.581 30 residues pruned to eliminate duplicates Z: 14 21.636 2.081 1.326 0.375 0.923 0.462 CB 1.534 14 residues pruned to eliminate duplicates Z: 41 32.424 2.146 0.884 0.438 0.875 0.500 CB 1.544 9 residues pruned to eliminate duplicates Z: 12 21.432 2.265 0.277 0.923 1.000 0.818 CA 1.570 12 residues pruned to eliminate duplicates Z: 10 22.474 2.042 0.993 0.910 0.889 0.667 CB 1.469 10 residues pruned to eliminate duplicates Z: 21 35.775 2.214 0.541 0.915 1.000 0.800 CA 1.657 21 residues pruned to eliminate duplicates Z: 52 38.485 2.185 0.833 0.523 0.902 0.588 CB 1.458 52 residues pruned to eliminate duplicates Z: 112 59.260 2.246 0.813 0.446 0.928 0.586 CB 1.574 112 residues pruned to eliminate duplicates Z: 15 16.677 1.759 0.565 0.864 1.000 0.857 CB 1.187 15 residues pruned to eliminate duplicates Z: 10 9.771 2.062 -0.215 0.615 1.000 0.667 CA 1.804 8 residues pruned to eliminate duplicates Z: 13 34.703 2.227 1.007 0.776 1.000 0.833 CB 1.757 Z: 29 29.754 2.140 0.601 0.708 0.857 0.571 CB 1.584 29 residues pruned to eliminate duplicates Z: 7 12.467 2.281 1.023 0.488 0.667 0.500 CA 1.675 7 residues pruned to eliminate duplicates Z: 30 39.816 2.277 1.077 0.608 0.931 0.586 CB 1.515 30 residues pruned to eliminate duplicates Z: 17 24.883 2.153 0.537 0.856 0.875 0.625 CB 1.585 17 residues pruned to eliminate duplicates Z: 18 31.465 2.356 1.258 0.497 0.941 0.765 CB 1.529 18 residues pruned to eliminate duplicates Z: 78 81.459 2.525 1.248 0.559 0.935 0.662 CB 1.653 78 residues pruned to eliminate duplicates Z: 21 32.976 2.185 0.866 0.767 1.000 0.800 CB 1.427 21 residues pruned to eliminate duplicates Z: 17 28.499 2.124 0.851 0.898 0.875 0.438 CB 1.482 17 residues pruned to eliminate duplicates Z: 9 15.383 2.156 0.440 0.671 0.875 0.625 CB 1.710 9 residues pruned to eliminate duplicates Z: 136 64.708 2.243 0.897 0.439 0.896 0.570 CB 1.555 136 residues pruned to eliminate duplicates Z: 36 36.798 2.238 0.756 0.586 0.886 0.514 CB 1.646 36 residues pruned to eliminate duplicates Z: 42 30.747 2.112 0.779 0.429 0.878 0.561 CB 1.566 42 residues pruned to eliminate duplicates Z: 22 23.009 2.036 0.775 0.466 0.905 0.381 CB 1.589 22 residues pruned to eliminate duplicates Z: 23 35.426 2.646 1.195 0.301 0.909 0.591 CB 1.785 23 residues pruned to eliminate duplicates Z: 18 28.636 2.131 0.649 0.871 0.941 0.471 CB 1.532 18 residues pruned to eliminate duplicates Z: 9 9.670 1.849 0.981 0.752 0.875 0.750 CB 0.852 Z: 8 6.798 1.649 0.636 0.899 1.000 1.000 CB 0.681 8 residues pruned to eliminate duplicates Z: 57 34.567 2.082 1.011 0.433 0.893 0.571 CB 1.324 57 residues pruned to eliminate duplicates Z: 72 67.612 2.427 0.967 0.609 0.915 0.648 CB 1.656 72 residues pruned to eliminate duplicates Z: 6 12.897 1.885 1.023 0.795 1.000 0.600 CA 1.167 6 residues pruned to eliminate duplicates Z: 18 24.912 2.109 0.523 0.863 0.882 0.588 CB 1.565 18 residues pruned to eliminate duplicates Z: 69 44.909 2.170 1.034 0.412 0.897 0.574 CB 1.509 69 residues pruned to eliminate duplicates Z: 18 35.520 2.372 0.504 0.923 1.000 0.941 CA 1.697 18 residues pruned to eliminate duplicates Z: 45 43.253 2.464 0.932 0.318 0.932 0.591 CB 1.798 45 residues pruned to eliminate duplicates Z: 38 37.649 2.238 0.952 0.555 0.838 0.568 CB 1.602 38 residues pruned to eliminate duplicates Z: 11 19.551 2.582 0.731 0.422 0.900 0.500 CB 1.665 11 residues pruned to eliminate duplicates Z: 8 6.469 1.881 -0.068 0.485 1.000 0.429 N 1.416 8 residues pruned to eliminate duplicates Z: 26 20.546 2.126 0.763 0.376 0.840 0.560 CB 1.489 26 residues pruned to eliminate duplicates Z: 7 5.812 1.743 0.717 0.872 0.833 0.833 CB 0.693 7 residues pruned to eliminate duplicates Z: 15 13.056 1.859 0.536 0.791 0.857 0.857 CB 1.104 15 residues pruned to eliminate duplicates Z: 43 24.925 2.034 0.592 0.390 0.857 0.429 CB 1.557 43 residues pruned to eliminate duplicates Z: 12 8.403 1.797 0.350 0.398 0.818 0.455 CB 1.422 12 residues pruned to eliminate duplicates Z: 87 63.866 2.428 0.876 0.600 0.860 0.616 CB 1.598 87 residues pruned to eliminate duplicates Z: 50 39.273 2.147 1.082 0.466 0.959 0.633 CB 1.355 50 residues pruned to eliminate duplicates Z: 7 6.417 1.759 0.998 0.436 0.833 0.667 CB 0.955 7 residues pruned to eliminate duplicates Z: 13 11.485 1.725 0.763 0.576 0.833 0.583 CB 1.216 13 residues pruned to eliminate duplicates Z: 11 8.061 2.022 -0.095 0.535 0.800 0.400 N 1.682 11 residues pruned to eliminate duplicates Z: 13 19.868 1.854 0.906 0.935 1.000 1.000 CB 1.131 13 residues pruned to eliminate duplicates Z: 12 14.776 2.126 0.720 0.572 0.818 0.636 CB 1.389 12 residues pruned to eliminate duplicates Z: 72 45.293 2.306 0.959 0.374 0.887 0.563 CB 1.535 72 residues pruned to eliminate duplicates Z: 6 7.166 1.936 0.030 0.715 1.000 0.800 CA 1.322 6 residues pruned to eliminate duplicates Z: 47 30.897 2.124 0.539 0.481 0.891 0.565 CB 1.593 47 residues pruned to eliminate duplicates Z: 53 35.398 2.121 0.963 0.455 0.923 0.635 CB 1.338 53 residues pruned to eliminate duplicates Z: 6 6.396 1.831 0.310 0.746 1.000 0.600 CB 0.957 6 residues pruned to eliminate duplicates Z: 36 22.992 1.920 1.035 0.407 0.857 0.543 CB 1.280 36 residues pruned to eliminate duplicates Z: 21 36.077 2.303 0.800 0.739 1.000 0.750 CB 1.571 21 residues pruned to eliminate duplicates Z: 18 21.316 2.089 0.455 0.844 0.882 0.588 CB 1.435 18 residues pruned to eliminate duplicates Z: 36 25.846 2.389 0.942 0.234 0.857 0.600 CB 1.497 36 residues pruned to eliminate duplicates Z: 28 18.801 1.801 0.951 0.491 0.926 0.593 CB 1.122 28 residues pruned to eliminate duplicates Z: 46 41.820 2.232 0.895 0.517 0.956 0.556 CB 1.517 46 residues pruned to eliminate duplicates Z: 47 30.862 2.054 0.700 0.448 0.891 0.543 CB 1.543 47 residues pruned to eliminate duplicates Z: 36 34.204 2.218 0.886 0.490 0.857 0.514 CB 1.629 36 residues pruned to eliminate duplicates Z: 8 16.674 2.261 0.600 0.522 1.000 0.571 CA 1.704 8 residues pruned to eliminate duplicates Z: 6 13.322 1.746 1.079 0.881 1.000 0.600 N 1.189 6 residues pruned to eliminate duplicates Z: 51 38.685 2.210 0.598 0.546 0.920 0.600 CB 1.609 51 residues pruned to eliminate duplicates Z: 9 11.741 1.695 0.745 0.919 1.000 1.000 CB 0.989 9 residues pruned to eliminate duplicates Z: 71 69.901 2.461 0.951 0.611 0.914 0.629 CB 1.714 71 residues pruned to eliminate duplicates Z: 11 15.073 2.139 0.476 0.523 0.900 0.700 CA 1.640 11 residues pruned to eliminate duplicates Z: 6 6.006 1.838 -0.124 0.765 1.000 0.800 CB 1.319 Z: 40 27.815 2.134 0.643 0.437 0.897 0.564 CB 1.511 40 residues pruned to eliminate duplicates Z: 79 45.762 2.279 0.771 0.400 0.846 0.603 CB 1.686 79 residues pruned to eliminate duplicates Z: 30 51.833 2.506 1.210 0.641 0.897 0.586 CB 1.700 30 residues pruned to eliminate duplicates Z: 8 5.491 1.645 0.612 0.432 0.857 0.571 N 0.980 Z: 35 41.151 2.279 0.745 0.630 0.941 0.412 CB 1.669 35 residues pruned to eliminate duplicates Z: 9 6.534 1.910 0.025 0.556 0.750 0.250 CB 1.491 3 residues pruned to eliminate duplicates Z: 12 7.100 1.882 0.878 0.526 0.818 0.636 CB 0.722 Z: 14 15.393 1.807 0.630 0.857 0.923 0.769 CB 1.157 14 residues pruned to eliminate duplicates Z: 21 53.800 2.318 1.230 0.944 1.000 0.750 CB 1.611 21 residues pruned to eliminate duplicates Z: 46 33.709 2.123 0.690 0.453 0.933 0.467 CB 1.575 46 residues pruned to eliminate duplicates Z: 8 6.495 2.115 0.952 0.384 0.714 0.571 CA 0.941 8 residues pruned to eliminate duplicates Z: 8 10.253 2.057 0.605 0.814 0.714 0.714 CA 1.250 8 residues pruned to eliminate duplicates Z: 8 9.137 1.667 0.787 0.573 0.857 0.286 C 1.260 8 residues pruned to eliminate duplicates Z: 7 4.729 1.499 0.896 0.645 1.000 0.667 CB 0.593 Z: 124 66.154 2.329 0.855 0.430 0.927 0.553 CB 1.602 124 residues pruned to eliminate duplicates Z: 10 6.541 1.839 -0.305 0.628 1.000 0.556 O 1.513 10 residues pruned to eliminate duplicates Z: 8 20.312 2.214 0.679 0.884 1.000 0.714 CB 1.492 8 residues pruned to eliminate duplicates Z: 9 7.034 1.923 -0.077 0.562 1.000 0.625 CB 1.319 11 residues pruned to eliminate duplicates Z: 6 4.786 1.558 0.495 0.516 0.800 0.600 O 1.130 6 residues pruned to eliminate duplicates Z: 16 42.735 2.494 1.772 0.611 0.867 0.733 CB 1.658 16 residues pruned to eliminate duplicates Z: 18 32.580 2.310 0.433 0.920 1.000 1.000 CA 1.681 18 residues pruned to eliminate duplicates Z: 6 5.280 1.990 0.195 0.490 0.600 0.400 CB 1.672 6 residues pruned to eliminate duplicates Z: 119 61.154 2.216 0.835 0.473 0.924 0.686 CB 1.539 119 residues pruned to eliminate duplicates Z: 7 5.651 1.734 0.569 0.886 1.000 0.667 CB 0.612 7 residues pruned to eliminate duplicates Z: 6 3.078 1.606 0.000 0.377 0.800 0.400 CB 1.222 Z: 26 18.323 1.986 0.630 0.436 0.800 0.440 CB 1.511 26 residues pruned to eliminate duplicates Z: 6 4.505 1.849 0.056 0.540 0.800 0.000 CA 1.240 6 residues pruned to eliminate duplicates Z: 8 3.669 1.677 0.128 0.236 0.714 0.571 C 1.395 8 residues pruned to eliminate duplicates Z: 33 36.751 2.482 1.021 0.290 0.938 0.625 CB 1.748 33 residues pruned to eliminate duplicates Z: 6 4.665 1.495 0.116 0.787 0.800 0.400 C 1.215 Z: 170 70.637 2.217 0.885 0.456 0.911 0.580 CB 1.493 170 residues pruned to eliminate duplicates Z: 58 44.264 2.389 0.922 0.322 0.895 0.579 CB 1.737 58 residues pruned to eliminate duplicates Z: 35 20.845 1.898 0.605 0.515 0.912 0.588 CB 1.268 35 residues pruned to eliminate duplicates Z: 35 33.935 2.226 0.575 0.553 0.941 0.647 CB 1.676 35 residues pruned to eliminate duplicates Z: 11 6.477 1.926 -0.221 0.595 0.900 0.500 CA 1.386 11 residues pruned to eliminate duplicates Z: 10 10.443 2.063 -0.097 0.657 0.889 0.667 CB 1.817 11 residues pruned to eliminate duplicates Z: 7 6.231 1.922 0.732 0.664 0.833 0.833 CB 0.788 Z: 36 32.767 2.160 0.730 0.455 0.914 0.543 CB 1.697 36 residues pruned to eliminate duplicates Z: 14 13.565 2.007 0.602 0.568 0.923 0.692 CB 1.187 14 residues pruned to eliminate duplicates Z: 21 49.268 2.312 1.148 0.934 1.000 0.800 CB 1.547 28 residues pruned to eliminate duplicates Z: 53 48.442 2.230 0.842 0.530 0.942 0.654 CB 1.685 53 residues pruned to eliminate duplicates Z: 10 4.512 1.509 0.269 0.417 0.889 0.444 CB 0.964 10 residues pruned to eliminate duplicates Z: 20 24.137 2.221 1.133 0.343 0.789 0.579 CB 1.757 20 residues pruned to eliminate duplicates Z: 14 15.157 1.791 0.457 0.863 1.000 0.923 CB 1.182 14 residues pruned to eliminate duplicates Z: 8 8.582 1.869 0.758 0.407 0.857 0.571 CB 1.269 8 residues pruned to eliminate duplicates Z: 9 21.884 1.985 1.045 0.753 1.000 0.875 CB 1.521 9 residues pruned to eliminate duplicates Z: 36 38.220 2.234 0.874 0.490 0.943 0.543 CB 1.654 36 residues pruned to eliminate duplicates Z: 7 7.643 1.727 0.349 0.770 1.000 0.833 CA 1.055 7 residues pruned to eliminate duplicates Z: 8 14.746 1.987 0.865 0.741 0.857 0.857 CB 1.414 9 residues pruned to eliminate duplicates Z: 14 13.030 1.796 0.599 0.605 0.846 0.692 CB 1.346 14 residues pruned to eliminate duplicates Z: 22 4.742 1.530 0.390 0.322 0.762 0.571 CB 0.776 22 residues pruned to eliminate duplicates Z: 18 26.929 2.199 0.399 0.817 0.941 0.765 CA 1.712 18 residues pruned to eliminate duplicates Z: 31 38.503 2.493 1.045 0.318 0.867 0.600 CB 1.945 31 residues pruned to eliminate duplicates Z: 28 32.434 2.222 1.166 0.471 0.963 0.556 CB 1.387 28 residues pruned to eliminate duplicates Z: 14 7.243 1.873 -0.119 0.779 0.923 0.769 CB 1.031 14 residues pruned to eliminate duplicates Z: 21 8.923 1.833 0.294 0.380 0.750 0.350 CB 1.275 30 residues pruned to eliminate duplicates Z: 65 46.488 2.257 0.763 0.472 0.906 0.562 CB 1.658 65 residues pruned to eliminate duplicates Z: 49 38.692 2.161 1.003 0.474 0.917 0.667 CB 1.446 49 residues pruned to eliminate duplicates Z: 14 12.359 1.747 0.452 0.863 0.923 0.769 CB 1.074 14 residues pruned to eliminate duplicates Z: 9 8.878 1.469 0.662 0.587 1.000 0.875 CA 1.183 Z: 11 15.316 1.938 0.473 0.806 0.900 0.500 CA 1.443 11 residues pruned to eliminate duplicates Z: 6 2.888 1.724 0.886 0.368 0.400 0.000 CB 1.145 Z: 11 5.857 1.660 0.579 0.285 0.800 0.700 CA 1.126 11 residues pruned to eliminate duplicates Z: 12 7.141 1.475 0.640 0.499 0.909 0.727 CB 0.980 9 residues pruned to eliminate duplicates Z: 115 63.432 2.356 0.898 0.421 0.886 0.570 CB 1.628 115 residues pruned to eliminate duplicates Z: 77 51.661 2.276 0.880 0.527 0.868 0.553 CB 1.552 77 residues pruned to eliminate duplicates Z: 11 33.184 2.366 0.908 0.756 1.000 0.700 CA 1.850 11 residues pruned to eliminate duplicates Z: 6 3.342 1.583 0.056 0.468 0.800 0.600 CB 1.155 Z: 92 76.675 2.324 1.118 0.596 0.934 0.604 CB 1.596 133 residues pruned to eliminate duplicates Z: 6 6.566 1.730 0.767 0.877 1.000 0.800 CB 0.698 6 residues pruned to eliminate duplicates Z: 7 5.822 1.847 0.699 0.385 0.667 0.500 CA 1.284 7 residues pruned to eliminate duplicates Z: 6 2.651 1.452 0.167 0.383 0.800 0.600 CB 0.990 6 residues pruned to eliminate duplicates Z: 30 31.998 2.417 1.146 0.297 0.862 0.690 CB 1.668 30 residues pruned to eliminate duplicates Z: 29 20.290 1.910 0.761 0.525 0.893 0.643 CB 1.246 30 residues pruned to eliminate duplicates Z: 12 10.781 1.854 0.497 0.539 0.818 0.636 CB 1.378 12 residues pruned to eliminate duplicates Z: 13 23.849 2.080 1.092 0.629 0.917 0.750 CB 1.529 13 residues pruned to eliminate duplicates Z: 32 27.824 2.181 1.016 0.354 0.871 0.516 CB 1.527 32 residues pruned to eliminate duplicates Z: 18 24.003 2.237 0.730 0.585 0.882 0.706 CB 1.571 18 residues pruned to eliminate duplicates Z: 11 9.669 1.934 1.089 0.585 0.900 0.500 CB 0.775 Z: 6 2.291 1.355 0.470 0.288 0.800 0.400 CB 0.816 Z: 32 30.548 2.246 0.753 0.459 0.871 0.581 CA 1.668 32 residues pruned to eliminate duplicates Z: 7 8.187 1.863 0.325 0.507 1.000 0.500 CB 1.345 7 residues pruned to eliminate duplicates Z: 62 64.978 2.448 1.233 0.542 0.951 0.721 CB 1.537 62 residues pruned to eliminate duplicates Z: 87 67.426 2.378 0.950 0.593 0.884 0.593 CB 1.623 87 residues pruned to eliminate duplicates Z: 21 8.271 1.609 0.436 0.472 0.750 0.500 CB 1.098 21 residues pruned to eliminate duplicates Z: 7 4.035 1.693 -0.205 0.678 1.000 0.833 CB 1.039 6 1.374 1.521 0.233 0.291 0.600 0.600 CB 0.690 ? Z: 9 4.951 1.735 0.062 0.406 0.875 0.375 CB 1.199 Z: 6 4.483 1.522 0.365 0.440 1.000 0.600 CA 1.027 6 residues pruned to eliminate duplicates Z: 9 21.356 2.189 0.675 0.884 0.875 0.375 CA 1.700 9 residues pruned to eliminate duplicates Z: 41 52.191 2.351 1.171 0.560 0.900 0.700 CB 1.695 41 residues pruned to eliminate duplicates Z: 20 53.485 2.349 1.179 0.932 1.000 0.895 CB 1.674 20 residues pruned to eliminate duplicates Z: 25 13.392 1.801 0.366 0.502 0.875 0.583 CB 1.268 22 residues pruned to eliminate duplicates Z: 15 26.092 2.013 0.915 0.755 0.929 0.714 CB 1.552 15 residues pruned to eliminate duplicates Z: 44 29.138 2.050 0.591 0.560 0.884 0.488 CB 1.455 44 residues pruned to eliminate duplicates Z: 14 25.647 2.358 0.383 0.880 0.923 0.538 CA 1.712 14 residues pruned to eliminate duplicates Z: 54 36.844 2.272 0.729 0.358 0.925 0.472 CB 1.623 54 residues pruned to eliminate duplicates Z: 12 10.471 2.016 -0.036 0.710 0.818 0.727 CB 1.641 13 residues pruned to eliminate duplicates Z: 8 3.924 1.671 0.386 0.414 0.714 0.429 CB 0.981 Z: 8 14.743 2.005 0.781 0.669 0.857 0.714 CB 1.557 8 residues pruned to eliminate duplicates Z: 10 7.062 1.967 -0.255 0.652 0.889 0.778 CB 1.568 10 residues pruned to eliminate duplicates Z: 15 40.139 2.388 1.077 0.798 1.000 0.786 CA 1.665 15 residues pruned to eliminate duplicates Z: 8 5.990 1.717 0.680 0.463 0.714 0.429 CB 1.140 Z: 13 25.555 2.330 0.926 0.497 0.917 0.667 CA 1.798 10 residues pruned to eliminate duplicates Z: 7 11.787 1.887 1.229 0.577 0.833 0.667 CA 1.275 Z: 55 34.068 2.066 1.004 0.421 0.907 0.500 CB 1.339 55 residues pruned to eliminate duplicates Z: 48 25.508 2.092 0.496 0.435 0.809 0.532 CB 1.573 48 residues pruned to eliminate duplicates Z: 19 29.374 2.424 0.836 0.571 0.833 0.500 CB 1.744 28 residues pruned to eliminate duplicates Z: 10 16.952 2.050 0.619 0.735 0.889 0.778 CB 1.551 Z: 11 9.328 1.941 0.309 0.503 0.900 0.400 CA 1.286 11 residues pruned to eliminate duplicates Z: 59 54.780 2.395 1.137 0.425 0.914 0.621 CB 1.663 59 residues pruned to eliminate duplicates Z: 7 3.211 1.454 -0.017 0.481 1.000 0.333 CB 0.935 Z: 26 26.527 2.178 0.829 0.454 0.880 0.640 CB 1.586 26 residues pruned to eliminate duplicates Z: 55 69.674 2.547 1.236 0.583 0.907 0.648 CB 1.694 55 residues pruned to eliminate duplicates Z: 18 31.615 2.126 0.585 0.920 1.000 0.588 CB 1.603 18 residues pruned to eliminate duplicates Z: 6 4.012 1.305 0.378 0.488 1.000 0.800 CB 1.009 Z: 45 30.262 2.056 0.963 0.433 0.864 0.614 CB 1.403 45 residues pruned to eliminate duplicates Z: 19 52.059 2.435 1.120 0.933 1.000 0.889 CB 1.659 19 residues pruned to eliminate duplicates Z: 57 64.842 2.506 1.077 0.611 0.946 0.732 CB 1.584 57 residues pruned to eliminate duplicates Z: 12 16.632 1.884 0.447 0.928 1.000 0.909 CB 1.288 12 residues pruned to eliminate duplicates Z: 20 42.139 2.232 1.095 0.838 1.000 0.684 CA 1.545 20 residues pruned to eliminate duplicates Z: 21 51.109 2.321 1.108 0.915 1.000 0.900 CB 1.651 21 residues pruned to eliminate duplicates Z: 12 19.213 2.273 0.923 0.351 0.909 0.727 CB 1.712 12 residues pruned to eliminate duplicates Z: 18 34.858 2.379 1.010 0.745 0.941 0.588 CB 1.509 Z: 63 74.227 2.525 1.253 0.554 0.935 0.661 CB 1.680 63 residues pruned to eliminate duplicates Z: 113 75.870 2.355 0.922 0.565 0.955 0.616 CB 1.556 113 residues pruned to eliminate duplicates Z: 18 22.818 2.064 0.590 0.824 0.882 0.529 CB 1.443 18 residues pruned to eliminate duplicates Z: 15 25.134 2.221 0.516 0.853 1.000 0.714 CA 1.475 15 residues pruned to eliminate duplicates Z: 12 3.580 1.441 0.356 0.375 0.727 0.455 CB 0.869 Z: 14 12.409 1.773 0.592 0.830 0.846 0.769 CB 1.084 14 residues pruned to eliminate duplicates Z: 22 35.977 2.317 0.999 0.694 0.905 0.619 CB 1.568 19 residues pruned to eliminate duplicates Z: 63 49.418 2.422 0.958 0.332 0.919 0.548 CB 1.729 63 residues pruned to eliminate duplicates Z: 8 5.660 1.717 0.615 0.484 0.714 0.571 N 1.098 Z: 7 4.379 1.461 0.169 0.627 0.833 0.500 CA 1.114 Z: 29 20.260 1.960 0.484 0.491 0.857 0.536 CB 1.550 29 residues pruned to eliminate duplicates Z: 8 2.661 1.749 0.116 0.072 0.714 0.286 CB 1.262 8 residues pruned to eliminate duplicates Z: 36 37.732 2.218 1.334 0.520 0.857 0.571 CB 1.409 36 residues pruned to eliminate duplicates Z: 45 37.619 2.221 0.698 0.489 0.909 0.614 CB 1.673 45 residues pruned to eliminate duplicates Z: 13 12.895 1.804 0.151 0.914 1.000 1.000 CB 1.268 13 residues pruned to eliminate duplicates Z: 6 6.454 1.672 0.564 0.533 1.000 0.600 CA 1.069 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 6.255 1.697 0.648 0.520 0.833 0.750 CB 0.759 18 residues pruned to eliminate duplicates Z: 12 19.530 2.071 1.178 0.657 0.727 0.545 CB 1.551 12 residues pruned to eliminate duplicates Z: 37 34.432 2.198 0.780 0.468 0.944 0.500 CB 1.604 28 residues pruned to eliminate duplicates Z: 11 19.878 2.013 0.819 0.783 0.900 0.500 CA 1.487 11 residues pruned to eliminate duplicates Z: 45 31.383 2.090 0.692 0.425 0.886 0.477 CB 1.631 45 residues pruned to eliminate duplicates Z: 61 30.345 2.014 0.676 0.416 0.900 0.583 CB 1.407 61 residues pruned to eliminate duplicates Z: 38 37.591 2.210 0.909 0.451 0.946 0.568 CB 1.629 38 residues pruned to eliminate duplicates Z: 12 19.945 1.958 0.748 0.743 1.000 0.545 CB 1.414 12 residues pruned to eliminate duplicates Z: 107 52.100 2.245 0.828 0.345 0.915 0.557 CB 1.595 100 residues pruned to eliminate duplicates Z: 13 21.670 2.001 0.761 0.679 1.000 0.167 CA 1.505 6 residues pruned to eliminate duplicates Z: 12 18.128 2.066 0.789 0.718 0.818 0.636 CA 1.484 12 residues pruned to eliminate duplicates Z: 47 31.501 2.120 0.676 0.448 0.870 0.522 CB 1.586 47 residues pruned to eliminate duplicates Z: 41 30.960 2.134 0.778 0.444 0.875 0.575 CB 1.563 41 residues pruned to eliminate duplicates Z: 46 33.098 2.132 0.764 0.460 0.867 0.467 CB 1.577 46 residues pruned to eliminate duplicates Z: 45 35.233 2.146 0.712 0.447 0.955 0.568 CB 1.600 45 residues pruned to eliminate duplicates Z: 38 26.766 2.124 0.738 0.472 0.811 0.486 CB 1.513 38 residues pruned to eliminate duplicates Z: 40 29.899 2.150 0.717 0.443 0.872 0.487 CB 1.577 40 residues pruned to eliminate duplicates Z: 41 31.750 2.150 0.738 0.449 0.875 0.450 CB 1.618 41 residues pruned to eliminate duplicates Z: 56 31.269 2.001 0.704 0.449 0.891 0.491 CB 1.462 56 residues pruned to eliminate duplicates Z: 39 32.398 2.155 0.737 0.453 0.921 0.553 CB 1.599 39 residues pruned to eliminate duplicates Z: 42 38.996 2.154 0.894 0.492 0.927 0.561 CB 1.624 36 residues pruned to eliminate duplicates Z: 7 8.928 2.034 0.973 0.362 0.833 0.500 CA 1.264 7 residues pruned to eliminate duplicates Z: 43 29.167 2.079 0.819 0.438 0.881 0.524 CB 1.441 43 residues pruned to eliminate duplicates Z: 33 32.216 2.248 0.751 0.461 0.875 0.375 CB 1.720 33 residues pruned to eliminate duplicates Z: 35 38.435 2.279 0.963 0.483 0.882 0.471 CB 1.700 35 residues pruned to eliminate duplicates Z: 50 31.653 2.029 0.669 0.458 0.918 0.592 CB 1.517 50 residues pruned to eliminate duplicates Z: 33 31.153 2.220 0.690 0.487 0.906 0.469 CB 1.641 33 residues pruned to eliminate duplicates Z: 32 37.470 2.312 0.823 0.486 0.935 0.484 CB 1.732 32 residues pruned to eliminate duplicates Z: 55 33.971 2.049 0.747 0.451 0.926 0.593 CB 1.467 55 residues pruned to eliminate duplicates Z: 41 28.690 2.139 0.710 0.406 0.875 0.425 CB 1.563 41 residues pruned to eliminate duplicates Z: 37 34.371 2.174 0.726 0.494 0.944 0.528 CB 1.625 37 residues pruned to eliminate duplicates Z: 37 38.274 2.233 0.912 0.453 0.944 0.500 CB 1.660 37 residues pruned to eliminate duplicates Z: 38 32.495 2.145 0.703 0.457 0.946 0.541 CB 1.615 38 residues pruned to eliminate duplicates Z: 47 35.698 2.109 0.780 0.450 0.913 0.565 CB 1.616 47 residues pruned to eliminate duplicates Z: 37 34.834 2.191 0.803 0.462 0.944 0.528 CB 1.618 37 residues pruned to eliminate duplicates Z: 40 33.600 2.177 0.841 0.467 0.897 0.615 CB 1.548 40 residues pruned to eliminate duplicates Z: 23 33.663 2.318 0.667 0.757 0.909 0.773 CA 1.624 23 residues pruned to eliminate duplicates Z: 33 53.859 2.394 0.963 0.741 0.938 0.781 CA 1.742 33 residues pruned to eliminate duplicates Z: 20 43.615 2.357 0.899 0.838 1.000 0.842 CA 1.670 20 residues pruned to eliminate duplicates Z: 20 48.611 2.379 0.969 0.861 1.000 0.789 CA 1.750 20 residues pruned to eliminate duplicates Z: 36 55.464 2.343 1.056 0.668 0.971 0.600 CB 1.716 36 residues pruned to eliminate duplicates Z: 34 54.629 2.375 1.027 0.705 0.939 0.606 CA 1.746 34 residues pruned to eliminate duplicates Z: 21 47.422 2.240 1.195 0.846 1.000 0.800 CA 1.603 21 residues pruned to eliminate duplicates Z: 37 35.206 2.206 0.970 0.628 0.917 0.667 CB 1.306 37 residues pruned to eliminate duplicates Z: 20 53.850 2.391 1.113 0.856 1.000 0.737 CA 1.802 20 residues pruned to eliminate duplicates Z: 20 47.844 2.386 1.067 0.856 0.947 0.737 CA 1.733 20 residues pruned to eliminate duplicates Z: 20 48.658 2.398 0.953 0.874 1.000 0.789 CA 1.735 20 residues pruned to eliminate duplicates Z: 19 58.279 2.430 1.243 0.889 1.000 0.722 CA 1.815 19 residues pruned to eliminate duplicates Z: 22 39.648 2.194 0.962 0.804 1.000 0.762 CA 1.541 22 residues pruned to eliminate duplicates Z: 20 46.271 2.407 0.968 0.848 0.947 0.526 CA 1.755 20 residues pruned to eliminate duplicates Z: 34 48.158 2.288 1.103 0.648 0.970 0.636 CB 1.566 34 residues pruned to eliminate duplicates Z: 22 40.817 2.209 0.900 0.834 1.000 0.667 CA 1.591 22 residues pruned to eliminate duplicates Z: 32 60.581 2.436 1.105 0.723 0.968 0.484 CB 1.793 32 residues pruned to eliminate duplicates Z: 34 59.815 2.399 1.130 0.693 0.970 0.485 CB 1.762 34 residues pruned to eliminate duplicates Z: 35 35.825 2.240 0.866 0.618 0.882 0.529 CB 1.491 35 residues pruned to eliminate duplicates Z: 24 27.129 2.172 0.901 0.641 0.783 0.565 CB 1.535 24 residues pruned to eliminate duplicates Z: 33 60.526 2.417 1.234 0.692 0.938 0.625 CB 1.773 33 residues pruned to eliminate duplicates Z: 35 45.689 2.376 1.006 0.584 0.912 0.559 CB 1.663 35 residues pruned to eliminate duplicates Z: 15 23.414 2.142 0.819 0.723 0.929 0.929 CB 1.414 15 residues pruned to eliminate duplicates Z: 37 50.658 2.355 1.062 0.617 0.944 0.556 CB 1.648 37 residues pruned to eliminate duplicates Z: 14 28.065 2.243 1.302 0.543 0.846 0.692 CA 1.708 14 residues pruned to eliminate duplicates Z: 46 52.816 2.263 1.216 0.605 0.889 0.533 CB 1.598 46 residues pruned to eliminate duplicates Z: 15 35.907 2.395 1.024 0.628 0.929 0.571 CA 1.891 15 residues pruned to eliminate duplicates Z: 22 35.424 2.349 0.980 0.503 0.905 0.524 CB 1.832 29 residues pruned to eliminate duplicates Z: 15 22.646 2.303 1.217 0.464 0.857 0.643 CB 1.434 15 residues pruned to eliminate duplicates Z: 119 81.281 2.392 1.014 0.561 0.898 0.644 CB 1.630 119 residues pruned to eliminate duplicates Z: 141 89.398 2.381 0.983 0.590 0.914 0.643 CB 1.606 141 residues pruned to eliminate duplicates Z: 140 88.852 2.410 0.984 0.603 0.885 0.640 CB 1.616 140 residues pruned to eliminate duplicates Z: 12 15.617 2.302 0.596 0.558 0.818 0.455 CB 1.480 12 residues pruned to eliminate duplicates Z: 15 18.550 2.238 0.769 0.555 0.786 0.571 CB 1.510 15 residues pruned to eliminate duplicates Z: 13 18.265 2.202 0.791 0.583 0.833 0.667 CB 1.482 13 residues pruned to eliminate duplicates Z: 48 37.156 2.171 0.837 0.534 0.851 0.532 CB 1.544 48 residues pruned to eliminate duplicates Z: 109 68.341 2.348 0.883 0.556 0.889 0.556 CB 1.586 109 residues pruned to eliminate duplicates Z: 62 65.002 2.463 1.062 0.602 0.934 0.574 CB 1.591 62 residues pruned to eliminate duplicates Z: 54 66.992 2.577 1.074 0.610 0.887 0.642 CB 1.748 54 residues pruned to eliminate duplicates Z: 60 64.187 2.516 1.130 0.599 0.864 0.593 CB 1.640 60 residues pruned to eliminate duplicates Z: 7 6.809 2.200 0.937 0.382 0.667 0.667 CB 1.109 7 residues pruned to eliminate duplicates Z: 100 79.082 2.411 1.049 0.586 0.919 0.616 CB 1.611 100 residues pruned to eliminate duplicates Z: 126 75.223 2.330 0.924 0.560 0.904 0.648 CB 1.566 126 residues pruned to eliminate duplicates Z: 15 39.436 2.614 1.325 0.560 0.929 0.571 CB 1.761 15 residues pruned to eliminate duplicates Z: 48 62.723 2.518 1.202 0.627 0.894 0.574 CB 1.639 48 residues pruned to eliminate duplicates Z: 101 71.281 2.390 0.984 0.570 0.900 0.560 CB 1.561 101 residues pruned to eliminate duplicates Z: 107 75.381 2.382 1.063 0.541 0.887 0.613 CB 1.614 107 residues pruned to eliminate duplicates Z: 84 78.929 2.514 1.063 0.629 0.892 0.651 CB 1.659 84 residues pruned to eliminate duplicates Z: 99 76.670 2.407 1.002 0.570 0.939 0.633 CB 1.600 99 residues pruned to eliminate duplicates Z: 50 60.201 2.479 1.088 0.571 0.898 0.612 CB 1.728 50 residues pruned to eliminate duplicates Z: 70 73.475 2.543 1.073 0.556 0.913 0.580 CB 1.740 70 residues pruned to eliminate duplicates Z: 103 72.245 2.368 1.081 0.549 0.873 0.559 CB 1.585 103 residues pruned to eliminate duplicates Z: 91 72.182 2.449 1.041 0.571 0.878 0.578 CB 1.620 103 residues pruned to eliminate duplicates Z: 80 73.612 2.473 0.978 0.612 0.911 0.684 CB 1.671 80 residues pruned to eliminate duplicates Z: 112 77.120 2.372 1.044 0.589 0.874 0.505 CB 1.587 112 residues pruned to eliminate duplicates Z: 54 66.155 2.516 1.188 0.595 0.925 0.698 CB 1.630 54 residues pruned to eliminate duplicates Z: 80 77.910 2.481 1.035 0.616 0.937 0.633 CB 1.661 80 residues pruned to eliminate duplicates Z: 69 68.870 2.549 1.180 0.558 0.868 0.588 CB 1.637 69 residues pruned to eliminate duplicates Z: 53 71.527 2.548 1.293 0.584 0.923 0.635 CB 1.697 53 residues pruned to eliminate duplicates Z: 67 81.871 2.586 1.254 0.570 0.939 0.697 CB 1.720 67 residues pruned to eliminate duplicates Z: 85 81.797 2.506 1.077 0.614 0.905 0.536 CB 1.702 85 residues pruned to eliminate duplicates Z: 54 61.742 2.497 1.087 0.546 0.925 0.528 CB 1.684 54 residues pruned to eliminate duplicates Z: 86 71.135 2.471 0.959 0.592 0.882 0.553 CB 1.655 86 residues pruned to eliminate duplicates Z: 98 74.377 2.394 1.067 0.552 0.907 0.567 CB 1.599 98 residues pruned to eliminate duplicates Z: 96 78.570 2.432 1.080 0.593 0.884 0.495 CB 1.650 96 residues pruned to eliminate duplicates Z: 89 76.966 2.434 1.139 0.557 0.898 0.614 CB 1.660 89 residues pruned to eliminate duplicates Z: 62 72.513 2.562 1.244 0.566 0.902 0.672 CB 1.680 62 residues pruned to eliminate duplicates Z: 115 78.134 2.383 0.988 0.566 0.930 0.632 CB 1.558 115 residues pruned to eliminate duplicates Z: 61 61.103 2.496 1.225 0.502 0.850 0.650 CB 1.668 61 residues pruned to eliminate duplicates Z: 85 81.279 2.485 1.076 0.608 0.917 0.571 CB 1.693 85 residues pruned to eliminate duplicates Z: 78 68.664 2.466 1.150 0.511 0.896 0.571 CB 1.630 78 residues pruned to eliminate duplicates Z: 126 83.331 2.408 0.978 0.587 0.888 0.600 CB 1.621 126 residues pruned to eliminate duplicates Z: 84 80.729 2.515 1.014 0.603 0.916 0.602 CB 1.732 84 residues pruned to eliminate duplicates Z: 128 78.875 2.373 0.960 0.557 0.874 0.591 CB 1.629 128 residues pruned to eliminate duplicates Z: 125 77.206 2.381 0.890 0.548 0.911 0.605 CB 1.614 125 residues pruned to eliminate duplicates Z: 103 71.224 2.384 0.967 0.549 0.902 0.618 CB 1.590 103 residues pruned to eliminate duplicates Z: 55 63.233 2.483 1.225 0.559 0.907 0.648 CB 1.621 55 residues pruned to eliminate duplicates Z: 103 73.033 2.402 0.986 0.560 0.902 0.618 CB 1.585 103 residues pruned to eliminate duplicates Z: 66 44.910 2.288 0.830 0.476 0.862 0.538 CB 1.582 66 residues pruned to eliminate duplicates Z: 87 78.332 2.441 1.089 0.592 0.919 0.605 CB 1.651 87 residues pruned to eliminate duplicates Z: 105 80.182 2.423 1.036 0.571 0.933 0.587 CB 1.596 105 residues pruned to eliminate duplicates Z: 96 72.419 2.405 0.966 0.561 0.916 0.611 CB 1.617 96 residues pruned to eliminate duplicates Z: 89 77.175 2.458 1.050 0.610 0.909 0.670 CB 1.617 89 residues pruned to eliminate duplicates Z: 98 75.961 2.395 1.009 0.563 0.928 0.639 CB 1.626 98 residues pruned to eliminate duplicates Z: 85 76.830 2.496 1.032 0.593 0.905 0.571 CB 1.672 85 residues pruned to eliminate duplicates Z: 101 68.123 2.397 0.883 0.562 0.910 0.630 CB 1.561 101 residues pruned to eliminate duplicates Z: 87 71.604 2.446 1.052 0.579 0.895 0.581 CB 1.592 87 residues pruned to eliminate duplicates Z: 85 87.490 2.503 1.141 0.619 0.940 0.690 CB 1.693 85 residues pruned to eliminate duplicates Z: 72 70.364 2.465 0.960 0.618 0.915 0.676 CB 1.689 72 residues pruned to eliminate duplicates Z: 125 75.375 2.307 0.894 0.557 0.927 0.685 CB 1.580 125 residues pruned to eliminate duplicates Z: 101 77.249 2.413 1.010 0.567 0.940 0.630 CB 1.588 101 residues pruned to eliminate duplicates Z: 86 84.366 2.501 1.140 0.606 0.906 0.576 CB 1.706 86 residues pruned to eliminate duplicates Z: 33 39.809 2.359 0.784 0.604 0.875 0.562 CB 1.732 33 residues pruned to eliminate duplicates Z: 49 38.882 2.144 0.896 0.514 0.896 0.479 CB 1.519 49 residues pruned to eliminate duplicates Z: 84 81.691 2.479 1.123 0.603 0.940 0.590 CB 1.644 84 residues pruned to eliminate duplicates Z: 84 80.767 2.503 0.997 0.601 0.940 0.627 CB 1.714 84 residues pruned to eliminate duplicates Z: 99 75.004 2.425 1.007 0.574 0.918 0.622 CB 1.579 99 residues pruned to eliminate duplicates Z: 50 35.020 2.191 0.747 0.522 0.878 0.531 CB 1.457 50 residues pruned to eliminate duplicates Z: 85 79.435 2.491 1.108 0.593 0.905 0.560 CB 1.668 85 residues pruned to eliminate duplicates Z: 84 83.748 2.492 1.090 0.602 0.928 0.675 CB 1.726 84 residues pruned to eliminate duplicates Z: 68 45.225 2.215 0.712 0.485 0.925 0.493 CB 1.598 68 residues pruned to eliminate duplicates Z: 71 71.375 2.479 0.879 0.626 0.929 0.614 CB 1.752 71 residues pruned to eliminate duplicates Z: 97 69.839 2.347 0.992 0.564 0.917 0.583 CB 1.563 97 residues pruned to eliminate duplicates Z: 33 46.034 2.315 0.808 0.661 1.000 0.562 CB 1.676 33 residues pruned to eliminate duplicates Z: 109 79.967 2.367 0.907 0.589 0.944 0.657 CB 1.657 109 residues pruned to eliminate duplicates Z: 85 81.686 2.479 1.069 0.606 0.940 0.619 CB 1.671 85 residues pruned to eliminate duplicates Z: 95 78.928 2.393 1.073 0.563 0.936 0.617 CB 1.649 95 residues pruned to eliminate duplicates Z: 87 80.431 2.463 1.039 0.595 0.942 0.686 CB 1.675 87 residues pruned to eliminate duplicates Z: 59 45.082 2.233 0.817 0.509 0.879 0.603 CB 1.644 59 residues pruned to eliminate duplicates Z: 102 81.887 2.410 1.033 0.579 0.960 0.743 CB 1.605 102 residues pruned to eliminate duplicates Z: 53 53.118 2.387 0.894 0.553 0.923 0.596 CB 1.676 53 residues pruned to eliminate duplicates Z: 50 41.574 2.237 0.769 0.523 0.939 0.490 CB 1.563 50 residues pruned to eliminate duplicates Z: 92 84.583 2.459 1.134 0.610 0.956 0.681 CB 1.593 92 residues pruned to eliminate duplicates Z: 75 70.140 2.432 0.972 0.583 0.932 0.676 CB 1.684 75 residues pruned to eliminate duplicates Z: 104 79.679 2.390 1.103 0.567 0.922 0.709 CB 1.586 104 residues pruned to eliminate duplicates Z: 98 74.223 2.379 0.987 0.552 0.928 0.567 CB 1.634 98 residues pruned to eliminate duplicates Z: 36 39.450 2.285 0.868 0.582 0.914 0.600 CB 1.579 36 residues pruned to eliminate duplicates Z: 206 89.730 2.290 0.869 0.502 0.927 0.620 CB 1.577 206 residues pruned to eliminate duplicates Z: 85 78.835 2.465 1.091 0.598 0.917 0.631 CB 1.658 85 residues pruned to eliminate duplicates Z: 49 42.201 2.200 0.850 0.527 0.958 0.562 CB 1.521 49 residues pruned to eliminate duplicates Z: 92 74.676 2.372 0.955 0.579 0.967 0.681 CB 1.617 92 residues pruned to eliminate duplicates Z: 102 72.917 2.359 1.010 0.549 0.960 0.653 CB 1.519 102 residues pruned to eliminate duplicates Z: 96 74.118 2.356 1.072 0.555 0.968 0.674 CB 1.525 96 residues pruned to eliminate duplicates Z: 60 44.043 2.231 0.829 0.472 0.932 0.627 CB 1.551 60 residues pruned to eliminate duplicates Z: 60 44.657 2.224 0.811 0.467 0.915 0.678 CB 1.631 60 residues pruned to eliminate duplicates Z: 17 10.024 1.717 0.611 0.346 0.938 0.625 CB 1.142 17 residues pruned to eliminate duplicates Z: 59 41.781 2.194 0.689 0.564 0.914 0.638 CB 1.523 59 residues pruned to eliminate duplicates Z: 95 82.022 2.431 1.126 0.564 0.957 0.649 CB 1.607 95 residues pruned to eliminate duplicates Z: 101 77.056 2.382 1.040 0.558 0.940 0.620 CB 1.595 101 residues pruned to eliminate duplicates Z: 45 44.933 2.253 0.786 0.551 0.977 0.545 CB 1.638 45 residues pruned to eliminate duplicates Z: 51 45.056 2.216 0.804 0.557 0.980 0.580 CB 1.538 51 residues pruned to eliminate duplicates Z: 73 48.259 2.311 0.824 0.476 0.889 0.569 CB 1.556 80 residues pruned to eliminate duplicates Z: 13 10.335 1.821 0.657 0.358 0.917 0.500 CB 1.257 13 residues pruned to eliminate duplicates Z: 31 45.243 2.452 1.035 0.589 0.933 0.567 CB 1.629 31 residues pruned to eliminate duplicates Z: 32 41.594 2.270 1.069 0.630 0.935 0.581 CB 1.505 28 residues pruned to eliminate duplicates Z: 6 4.517 1.802 0.551 0.244 0.800 0.000 CA 1.214 6 residues pruned to eliminate duplicates Z: 11 18.236 2.151 0.864 0.520 0.800 0.500 N 1.764 11 residues pruned to eliminate duplicates Z: 28 43.771 2.399 1.053 0.572 0.889 0.407 CB 1.795 28 residues pruned to eliminate duplicates Z: 37 45.762 2.410 0.999 0.621 0.889 0.528 CB 1.589 37 residues pruned to eliminate duplicates Z: 30 52.738 2.445 1.069 0.661 0.931 0.621 CB 1.792 30 residues pruned to eliminate duplicates Z: 33 53.285 2.402 1.122 0.628 0.938 0.500 CB 1.748 33 residues pruned to eliminate duplicates Z: 20 25.785 2.282 0.940 0.510 0.842 0.421 CB 1.570 20 residues pruned to eliminate duplicates Z: 11 17.007 2.273 1.188 0.544 0.700 0.600 CA 1.479 Z: 29 53.327 2.428 1.269 0.679 0.929 0.643 CB 1.672 40 residues pruned to eliminate duplicates Z: 32 43.005 2.287 1.095 0.572 0.903 0.452 CB 1.666 32 residues pruned to eliminate duplicates Z: 24 47.841 2.479 1.188 0.685 0.913 0.652 CB 1.700 17 residues pruned to eliminate duplicates Z: 6 9.823 1.741 1.046 0.470 1.000 0.800 CB 1.271 6 residues pruned to eliminate duplicates Z: 28 60.433 2.446 1.493 0.722 0.963 0.741 CB 1.620 28 residues pruned to eliminate duplicates Z: 6 6.841 2.030 1.015 0.375 0.600 0.400 CB 1.424 6 residues pruned to eliminate duplicates Z: 38 49.770 2.364 0.979 0.669 0.973 0.595 CB 1.537 37 residues pruned to eliminate duplicates Z: 6 6.230 1.705 1.323 0.460 0.800 0.800 CA 0.916 6 residues pruned to eliminate duplicates Z: 33 47.502 2.289 1.169 0.602 0.906 0.531 CB 1.693 33 residues pruned to eliminate duplicates Z: 14 45.301 2.496 1.363 0.782 0.923 0.692 CB 1.800 14 residues pruned to eliminate duplicates Z: 19 45.294 2.391 1.226 0.735 1.000 0.667 CB 1.624 19 residues pruned to eliminate duplicates Z: 21 46.842 2.362 1.222 0.810 1.000 0.850 CB 1.524 21 residues pruned to eliminate duplicates Z: 16 22.520 2.264 0.728 0.422 0.933 0.600 CB 1.727 16 residues pruned to eliminate duplicates Z: 43 49.518 2.446 0.935 0.497 0.929 0.524 CB 1.744 43 residues pruned to eliminate duplicates Z: 41 48.871 2.396 0.939 0.545 0.900 0.600 CB 1.769 41 residues pruned to eliminate duplicates Z: 44 50.020 2.440 1.033 0.532 0.860 0.651 CB 1.732 44 residues pruned to eliminate duplicates Z: 20 19.546 2.173 0.663 0.370 0.895 0.579 CB 1.594 20 residues pruned to eliminate duplicates Z: 34 25.730 2.100 0.653 0.557 0.879 0.667 CB 1.389 34 residues pruned to eliminate duplicates Z: 29 17.897 1.934 0.545 0.510 0.857 0.643 CB 1.307 29 residues pruned to eliminate duplicates Z: 41 27.390 2.069 0.686 0.513 0.875 0.650 CB 1.401 41 residues pruned to eliminate duplicates Z: 29 28.056 2.083 0.636 0.613 0.964 0.786 CB 1.449 29 residues pruned to eliminate duplicates Z: 31 44.998 2.408 0.865 0.598 0.967 0.733 CB 1.723 31 residues pruned to eliminate duplicates Z: 53 24.196 1.897 0.625 0.478 0.865 0.519 CB 1.286 53 residues pruned to eliminate duplicates Z: 38 23.211 1.941 0.523 0.515 0.946 0.757 CB 1.344 38 residues pruned to eliminate duplicates Z: 147 74.223 2.287 0.887 0.478 0.918 0.644 CB 1.586 147 residues pruned to eliminate duplicates Z: 29 28.092 2.070 0.628 0.612 1.000 0.714 CB 1.417 29 residues pruned to eliminate duplicates Z: 18 21.217 2.176 0.695 0.461 0.941 0.588 CB 1.542 18 residues pruned to eliminate duplicates Z: 52 36.091 2.092 0.694 0.572 0.941 0.667 CB 1.414 52 residues pruned to eliminate duplicates Z: 35 19.586 1.877 0.479 0.532 0.912 0.618 CB 1.286 35 residues pruned to eliminate duplicates Z: 35 29.744 2.107 0.617 0.544 0.941 0.735 CB 1.523 35 residues pruned to eliminate duplicates Z: 30 29.792 2.060 0.711 0.603 0.966 0.759 CB 1.473 30 residues pruned to eliminate duplicates Z: 38 28.692 2.025 0.673 0.545 0.919 0.676 CB 1.450 38 residues pruned to eliminate duplicates Z: 33 26.982 2.013 0.691 0.583 0.969 0.719 CB 1.335 33 residues pruned to eliminate duplicates Z: 30 27.108 2.077 0.614 0.629 0.966 0.724 CB 1.378 30 residues pruned to eliminate duplicates Z: 49 46.836 2.189 0.946 0.607 0.979 0.667 CB 1.465 49 residues pruned to eliminate duplicates Z: 72 53.715 2.203 0.949 0.569 0.930 0.704 CB 1.494 72 residues pruned to eliminate duplicates Z: 31 27.346 2.033 0.738 0.585 0.967 0.767 CB 1.347 31 residues pruned to eliminate duplicates Z: 61 54.968 2.306 1.011 0.601 0.900 0.700 CB 1.544 61 residues pruned to eliminate duplicates Z: 132 74.058 2.266 0.902 0.509 0.947 0.618 CB 1.573 132 residues pruned to eliminate duplicates Z: 57 41.748 2.109 0.880 0.547 0.911 0.554 CB 1.476 57 residues pruned to eliminate duplicates Z: 46 43.052 2.219 0.855 0.615 0.933 0.689 CB 1.498 46 residues pruned to eliminate duplicates Z: 38 26.214 1.934 0.704 0.507 0.973 0.622 CB 1.335 38 residues pruned to eliminate duplicates Z: 71 39.233 2.076 0.799 0.528 0.871 0.571 CB 1.402 71 residues pruned to eliminate duplicates Z: 38 25.369 1.925 0.746 0.513 0.946 0.703 CB 1.295 38 residues pruned to eliminate duplicates Z: 93 52.051 2.283 0.827 0.409 0.924 0.533 CB 1.549 93 residues pruned to eliminate duplicates Z: 42 22.667 1.887 0.603 0.505 0.927 0.585 CB 1.256 42 residues pruned to eliminate duplicates Z: 7 5.004 1.519 0.345 0.389 0.833 0.500 CB 1.349 7 residues pruned to eliminate duplicates Z: 177 79.284 2.259 0.928 0.470 0.920 0.614 CB 1.537 177 residues pruned to eliminate duplicates Z: 55 41.024 2.091 0.989 0.540 0.852 0.630 CB 1.515 55 residues pruned to eliminate duplicates Z: 110 52.670 2.192 0.768 0.459 0.881 0.596 CB 1.541 110 residues pruned to eliminate duplicates Z: 13 7.585 1.583 0.481 0.435 0.917 0.333 CB 1.089 13 residues pruned to eliminate duplicates Z: 97 53.592 2.282 0.853 0.412 0.906 0.521 CB 1.566 97 residues pruned to eliminate duplicates Z: 117 57.610 2.226 0.819 0.450 0.897 0.595 CB 1.551 117 residues pruned to eliminate duplicates Z: 53 43.272 2.247 0.633 0.521 0.981 0.519 CB 1.633 53 residues pruned to eliminate duplicates Z: 131 65.505 2.292 0.886 0.444 0.915 0.546 CB 1.538 131 residues pruned to eliminate duplicates Z: 176 78.911 2.267 0.950 0.479 0.897 0.577 CB 1.536 176 residues pruned to eliminate duplicates Z: 150 72.584 2.294 0.915 0.475 0.886 0.611 CB 1.566 150 residues pruned to eliminate duplicates Z: 67 47.830 2.199 0.772 0.484 0.985 0.545 CB 1.560 67 residues pruned to eliminate duplicates Z: 139 69.149 2.265 0.992 0.429 0.913 0.529 CB 1.539 139 residues pruned to eliminate duplicates Z: 85 54.897 2.297 0.863 0.426 0.940 0.536 CB 1.608 85 residues pruned to eliminate duplicates Z: 79 55.495 2.376 0.890 0.413 0.923 0.615 CB 1.660 79 residues pruned to eliminate duplicates Z: 109 63.703 2.308 0.791 0.432 0.935 0.556 CB 1.701 234 residues pruned to eliminate duplicates Z: 127 65.800 2.305 0.879 0.426 0.913 0.595 CB 1.602 127 residues pruned to eliminate duplicates Z: 130 75.911 2.307 1.016 0.443 0.953 0.636 CB 1.599 130 residues pruned to eliminate duplicates Z: 83 53.775 2.311 0.852 0.422 0.902 0.549 CB 1.667 83 residues pruned to eliminate duplicates Z: 86 62.669 2.364 0.920 0.414 0.953 0.612 CB 1.719 86 residues pruned to eliminate duplicates Z: 76 57.765 2.379 0.896 0.448 0.920 0.600 CB 1.695 76 residues pruned to eliminate duplicates Z: 115 73.081 2.381 0.973 0.456 0.930 0.535 CB 1.640 115 residues pruned to eliminate duplicates Z: 117 58.548 2.220 0.782 0.457 0.922 0.595 CB 1.557 117 residues pruned to eliminate duplicates Z: 88 60.673 2.317 0.847 0.418 0.954 0.621 CB 1.736 88 residues pruned to eliminate duplicates Z: 68 54.953 2.439 0.816 0.440 0.955 0.582 CB 1.688 68 residues pruned to eliminate duplicates Z: 90 55.527 2.311 0.851 0.432 0.921 0.596 CB 1.603 90 residues pruned to eliminate duplicates Z: 61 49.842 2.272 0.797 0.487 0.950 0.567 CB 1.681 61 residues pruned to eliminate duplicates Z: 79 55.779 2.363 0.886 0.431 0.897 0.526 CB 1.695 79 residues pruned to eliminate duplicates Z: 77 60.771 2.378 0.888 0.455 0.947 0.658 CB 1.717 77 residues pruned to eliminate duplicates Z: 71 56.335 2.410 0.846 0.427 0.957 0.600 CB 1.705 71 residues pruned to eliminate duplicates Z: 66 46.447 2.377 0.921 0.330 0.923 0.585 CB 1.647 66 residues pruned to eliminate duplicates Z: 67 45.531 2.359 0.988 0.327 0.894 0.515 CB 1.616 67 residues pruned to eliminate duplicates Z: 83 51.827 2.284 0.832 0.445 0.902 0.561 CB 1.604 83 residues pruned to eliminate duplicates Z: 77 60.588 2.421 0.928 0.426 0.934 0.645 CB 1.720 77 residues pruned to eliminate duplicates Z: 137 68.860 2.269 0.958 0.444 0.904 0.574 CB 1.556 137 residues pruned to eliminate duplicates Z: 72 56.432 2.398 0.848 0.429 0.944 0.592 CB 1.724 72 residues pruned to eliminate duplicates Z: 68 55.609 2.384 1.070 0.362 0.940 0.582 CB 1.698 68 residues pruned to eliminate duplicates Z: 66 52.410 2.367 1.120 0.332 0.908 0.569 CB 1.716 66 residues pruned to eliminate duplicates Z: 78 59.613 2.394 0.927 0.420 0.935 0.571 CB 1.713 78 residues pruned to eliminate duplicates Z: 71 57.132 2.414 0.845 0.421 0.929 0.586 CB 1.793 71 residues pruned to eliminate duplicates Z: 70 60.821 2.434 0.918 0.423 0.971 0.594 CB 1.751 70 residues pruned to eliminate duplicates Z: 83 56.902 2.370 0.913 0.432 0.902 0.573 CB 1.647 83 residues pruned to eliminate duplicates Z: 155 78.565 2.297 0.913 0.480 0.916 0.617 CB 1.605 155 residues pruned to eliminate duplicates Z: 56 50.342 2.459 1.119 0.298 0.945 0.582 CB 1.727 56 residues pruned to eliminate duplicates Z: 78 58.819 2.373 0.889 0.430 0.935 0.662 CB 1.718 78 residues pruned to eliminate duplicates Z: 78 52.613 2.358 0.826 0.439 0.909 0.571 CB 1.631 78 residues pruned to eliminate duplicates Z: 92 58.172 2.300 0.856 0.424 0.945 0.571 CB 1.636 92 residues pruned to eliminate duplicates Z: 120 66.409 2.308 0.900 0.421 0.899 0.597 CB 1.677 120 residues pruned to eliminate duplicates Z: 172 72.947 2.227 0.907 0.441 0.924 0.561 CB 1.512 172 residues pruned to eliminate duplicates Z: 79 58.445 2.365 0.846 0.434 0.949 0.615 CB 1.711 79 residues pruned to eliminate duplicates Z: 77 54.385 2.375 0.842 0.405 0.921 0.618 CB 1.710 77 residues pruned to eliminate duplicates Z: 106 66.741 2.382 0.941 0.429 0.924 0.562 CB 1.641 106 residues pruned to eliminate duplicates Z: 79 54.619 2.358 0.801 0.427 0.936 0.615 CB 1.678 79 residues pruned to eliminate duplicates Z: 83 53.511 2.296 0.896 0.435 0.878 0.561 CB 1.653 83 residues pruned to eliminate duplicates Z: 80 55.898 2.343 0.885 0.421 0.911 0.532 CB 1.696 80 residues pruned to eliminate duplicates Z: 119 59.913 2.223 0.829 0.445 0.915 0.610 CB 1.569 119 residues pruned to eliminate duplicates Z: 85 55.312 2.310 0.865 0.410 0.940 0.643 CB 1.637 85 residues pruned to eliminate duplicates Z: 66 44.050 2.345 0.930 0.328 0.908 0.585 CB 1.605 66 residues pruned to eliminate duplicates Z: 77 59.243 2.356 0.898 0.440 0.934 0.618 CB 1.730 77 residues pruned to eliminate duplicates Z: 77 60.200 2.369 0.945 0.435 0.934 0.579 CB 1.717 77 residues pruned to eliminate duplicates Z: 82 56.842 2.366 0.926 0.419 0.926 0.617 CB 1.629 82 residues pruned to eliminate duplicates Z: 50 41.608 2.411 0.953 0.291 0.918 0.551 CB 1.739 50 residues pruned to eliminate duplicates Z: 73 57.769 2.430 0.895 0.430 0.917 0.514 CB 1.734 73 residues pruned to eliminate duplicates Z: 127 70.863 2.300 0.963 0.432 0.937 0.571 CB 1.602 127 residues pruned to eliminate duplicates Z: 117 58.086 2.209 0.798 0.474 0.922 0.621 CB 1.512 117 residues pruned to eliminate duplicates Z: 84 59.512 2.319 0.912 0.430 0.940 0.566 CB 1.686 84 residues pruned to eliminate duplicates Z: 79 54.856 2.335 0.831 0.434 0.936 0.564 CB 1.662 79 residues pruned to eliminate duplicates Z: 33 45.014 2.534 1.325 0.297 0.906 0.750 CB 1.870 33 residues pruned to eliminate duplicates Z: 72 55.591 2.401 0.859 0.435 0.930 0.676 CB 1.701 72 residues pruned to eliminate duplicates Z: 116 63.659 2.240 0.871 0.448 0.930 0.574 CB 1.606 116 residues pruned to eliminate duplicates Z: 86 58.473 2.344 0.934 0.415 0.906 0.576 CB 1.688 86 residues pruned to eliminate duplicates Z: 130 68.739 2.304 0.963 0.433 0.899 0.574 CB 1.595 130 residues pruned to eliminate duplicates Z: 80 54.737 2.340 0.843 0.413 0.937 0.608 CB 1.670 80 residues pruned to eliminate duplicates Z: 134 69.154 2.281 0.951 0.430 0.917 0.571 CB 1.580 132 residues pruned to eliminate duplicates Z: 6 4.238 2.057 0.281 0.354 0.600 0.400 CA 1.405 6 residues pruned to eliminate duplicates Z: 79 56.585 2.347 0.918 0.420 0.910 0.551 CB 1.701 79 residues pruned to eliminate duplicates Z: 85 57.393 2.355 0.878 0.412 0.917 0.631 CB 1.694 85 residues pruned to eliminate duplicates Z: 90 54.697 2.330 0.923 0.413 0.876 0.494 CB 1.618 90 residues pruned to eliminate duplicates Z: 87 60.745 2.350 0.919 0.415 0.930 0.616 CB 1.706 87 residues pruned to eliminate duplicates Z: 18 28.213 2.350 1.255 0.362 0.882 0.647 CB 1.699 18 residues pruned to eliminate duplicates Z: 28 28.385 2.477 0.991 0.258 0.889 0.556 CB 1.643 28 residues pruned to eliminate duplicates Z: 131 68.509 2.302 1.003 0.433 0.900 0.577 CB 1.552 131 residues pruned to eliminate duplicates Z: 65 54.407 2.389 1.158 0.409 0.906 0.578 CB 1.601 65 residues pruned to eliminate duplicates Z: 66 46.995 2.225 1.110 0.410 0.923 0.523 CB 1.477 66 residues pruned to eliminate duplicates Z: 76 46.968 2.262 0.984 0.399 0.893 0.587 CB 1.504 76 residues pruned to eliminate duplicates Z: 124 65.428 2.316 0.941 0.422 0.870 0.537 CB 1.636 124 residues pruned to eliminate duplicates Z: 66 46.873 2.203 1.045 0.416 0.954 0.615 CB 1.477 66 residues pruned to eliminate duplicates Z: 143 61.782 2.226 0.776 0.450 0.901 0.577 CB 1.531 143 residues pruned to eliminate duplicates Z: 139 67.237 2.249 0.918 0.438 0.906 0.580 CB 1.561 139 residues pruned to eliminate duplicates Z: 122 69.347 2.349 0.965 0.441 0.893 0.562 CB 1.625 122 residues pruned to eliminate duplicates Z: 55 51.682 2.341 1.139 0.459 0.926 0.556 CB 1.582 55 residues pruned to eliminate duplicates Z: 81 56.019 2.391 1.048 0.349 0.863 0.538 CB 1.746 81 residues pruned to eliminate duplicates Z: 56 46.025 2.305 1.116 0.450 0.891 0.618 CB 1.504 56 residues pruned to eliminate duplicates Z: 41 39.683 2.261 1.192 0.508 0.825 0.575 CB 1.523 41 residues pruned to eliminate duplicates Z: 42 42.176 2.247 1.240 0.505 0.854 0.610 CB 1.524 42 residues pruned to eliminate duplicates Z: 49 34.408 2.166 0.936 0.472 0.875 0.583 CB 1.392 49 residues pruned to eliminate duplicates Z: 34 40.178 2.362 1.078 0.428 0.939 0.576 CB 1.635 34 residues pruned to eliminate duplicates Z: 41 40.076 2.254 1.133 0.492 0.900 0.600 CB 1.476 41 residues pruned to eliminate duplicates Z: 50 39.320 2.153 1.085 0.471 0.918 0.633 CB 1.403 52 residues pruned to eliminate duplicates Z: 9 29.823 2.266 1.182 0.843 1.000 0.625 CB 1.588 9 residues pruned to eliminate duplicates Z: 41 39.465 2.251 1.130 0.513 0.900 0.600 CB 1.428 41 residues pruned to eliminate duplicates Z: 43 39.523 2.234 1.102 0.472 0.929 0.619 CB 1.439 43 residues pruned to eliminate duplicates Z: 56 35.291 2.051 1.160 0.423 0.909 0.418 CB 1.280 56 residues pruned to eliminate duplicates Z: 40 43.850 2.293 1.284 0.507 0.897 0.513 CB 1.484 40 residues pruned to eliminate duplicates Z: 43 38.943 2.191 1.248 0.504 0.857 0.524 CB 1.418 43 residues pruned to eliminate duplicates Z: 41 39.799 2.256 1.047 0.482 0.900 0.600 CB 1.542 41 residues pruned to eliminate duplicates Z: 50 40.552 2.177 1.092 0.464 0.939 0.571 CB 1.406 50 residues pruned to eliminate duplicates Z: 52 33.042 2.120 1.033 0.423 0.843 0.510 CB 1.379 52 residues pruned to eliminate duplicates Z: 50 36.444 2.143 1.084 0.456 0.898 0.592 CB 1.358 50 residues pruned to eliminate duplicates Z: 38 32.336 2.206 1.084 0.401 0.838 0.649 CB 1.532 38 residues pruned to eliminate duplicates Z: 44 38.498 2.214 1.050 0.457 0.907 0.558 CB 1.489 44 residues pruned to eliminate duplicates Z: 81 47.825 2.185 0.966 0.490 0.863 0.575 CB 1.458 81 residues pruned to eliminate duplicates Z: 65 51.117 2.361 1.099 0.422 0.906 0.609 CB 1.542 65 residues pruned to eliminate duplicates Z: 124 71.376 2.326 1.003 0.445 0.919 0.585 CB 1.592 124 residues pruned to eliminate duplicates Z: 49 39.150 2.192 1.038 0.463 0.938 0.625 CB 1.402 49 residues pruned to eliminate duplicates Z: 176 68.452 2.196 0.888 0.443 0.903 0.594 CB 1.466 176 residues pruned to eliminate duplicates Z: 102 57.564 2.319 1.006 0.373 0.921 0.584 CB 1.531 102 residues pruned to eliminate duplicates Z: 162 67.359 2.211 0.935 0.434 0.907 0.590 CB 1.466 162 residues pruned to eliminate duplicates Z: 50 40.219 2.179 1.092 0.458 0.959 0.551 CB 1.372 50 residues pruned to eliminate duplicates Z: 75 49.368 2.288 1.024 0.400 0.905 0.662 CB 1.520 75 residues pruned to eliminate duplicates Z: 126 65.384 2.312 0.862 0.443 0.912 0.600 CB 1.579 126 residues pruned to eliminate duplicates Z: 54 37.625 2.120 1.020 0.431 0.887 0.604 CB 1.462 54 residues pruned to eliminate duplicates Z: 50 36.425 2.158 1.034 0.449 0.918 0.592 CB 1.359 50 residues pruned to eliminate duplicates Z: 125 63.835 2.318 0.868 0.421 0.911 0.573 CB 1.577 125 residues pruned to eliminate duplicates Z: 47 41.173 2.215 1.078 0.446 0.935 0.652 CB 1.492 47 residues pruned to eliminate duplicates Z: 55 31.556 2.058 0.901 0.433 0.889 0.630 CB 1.323 54 residues pruned to eliminate duplicates Z: 9 11.393 1.693 0.621 0.866 1.000 1.000 CB 1.074 9 residues pruned to eliminate duplicates Z: 30 22.819 1.988 0.949 0.473 0.931 0.621 CB 1.207 30 residues pruned to eliminate duplicates Z: 64 46.973 2.258 0.995 0.430 0.937 0.667 CB 1.509 64 residues pruned to eliminate duplicates Z: 51 39.360 2.138 1.036 0.451 0.960 0.640 CB 1.401 51 residues pruned to eliminate duplicates Z: 49 36.264 2.158 1.036 0.470 0.917 0.667 CB 1.340 49 residues pruned to eliminate duplicates Z: 65 41.931 2.209 0.886 0.427 0.922 0.672 CB 1.472 65 residues pruned to eliminate duplicates Z: 51 38.913 2.146 1.058 0.458 0.940 0.620 CB 1.384 51 residues pruned to eliminate duplicates Z: 131 69.223 2.306 0.910 0.439 0.931 0.631 CB 1.576 131 residues pruned to eliminate duplicates Z: 8 5.402 1.649 0.617 0.418 0.857 0.429 CB 0.973 8 residues pruned to eliminate duplicates Z: 37 22.808 1.997 0.843 0.351 0.889 0.500 CB 1.365 37 residues pruned to eliminate duplicates Z: 52 40.103 2.128 1.055 0.458 0.961 0.686 CB 1.395 52 residues pruned to eliminate duplicates Z: 6 5.158 1.693 0.659 0.367 0.800 0.600 C 1.184 6 residues pruned to eliminate duplicates Z: 10 13.716 2.052 0.519 0.652 0.889 0.556 CA 1.432 10 residues pruned to eliminate duplicates 347 residues left after pruning, divided into chains as follows: A: 6 B: 16 C: 8 D: 310 E: 7 CC for partial structure against native data = 38.23 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.599, Connect. = 0.741 for dens.mod. cycle 1 = 0.300, Contrast = 0.696, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.826, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.846, Connect. = 0.804 for dens.mod. cycle 4 = 0.300, Contrast = 0.866, Connect. = 0.807 for dens.mod. cycle 5 = 0.300, Contrast = 0.874, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.883, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.886, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.890, Connect. = 0.813 for dens.mod. cycle 9 = 0.300, Contrast = 0.891, Connect. = 0.814 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2567 peaks > 0.5 sigma used to seed fragment search Space for about 666 unique residues taking solvent into account 561 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 92 59.815 2.324 0.891 0.417 0.934 0.593 CB 1.666 B: 19 50.399 2.453 0.907 0.956 1.000 0.833 CB 1.745 C: 11 20.743 2.135 1.121 0.405 0.900 0.600 CA 1.780 11 residues pruned to eliminate duplicates D: 20 43.605 2.303 0.927 0.893 1.000 0.684 CB 1.618 20 residues pruned to eliminate duplicates E: 34 47.909 2.307 1.119 0.692 0.970 0.667 CB 1.475 20 residues pruned to eliminate duplicates F: 20 51.721 2.330 1.016 0.946 1.000 0.789 CB 1.747 20 residues pruned to eliminate duplicates G: 86 77.500 2.500 1.105 0.589 0.871 0.494 CB 1.684 H: 32 44.718 2.347 1.150 0.585 0.839 0.548 CB 1.749 I: 20 48.038 2.352 1.068 0.916 1.000 0.737 CA 1.601 20 residues pruned to eliminate duplicates J: 20 55.431 2.438 1.310 0.931 0.947 0.895 CB 1.665 20 residues pruned to eliminate duplicates K: 100 71.624 2.408 0.991 0.568 0.889 0.586 CB 1.582 85 residues pruned to eliminate duplicates L: 83 82.001 2.540 1.099 0.605 0.890 0.573 CB 1.726 98 residues pruned to eliminate duplicates M: 35 42.314 2.415 0.962 0.573 0.882 0.471 CB 1.617 29 residues pruned to eliminate duplicates N: 37 42.918 2.314 0.996 0.586 0.889 0.639 CB 1.604 37 residues pruned to eliminate duplicates O: 42 40.529 2.237 0.991 0.492 0.902 0.610 CB 1.587 P: 19 56.150 2.453 1.235 0.921 1.000 0.778 CB 1.699 19 residues pruned to eliminate duplicates Q: 56 58.551 2.403 1.093 0.555 0.891 0.509 CB 1.670 71 residues pruned to eliminate duplicates R: 48 52.028 2.307 0.990 0.642 0.894 0.532 CB 1.621 44 residues pruned to eliminate duplicates S: 117 60.008 2.223 0.834 0.461 0.905 0.647 CB 1.571 86 residues pruned to eliminate duplicates T: 21 57.378 2.356 1.363 0.926 1.000 0.800 CB 1.616 21 residues pruned to eliminate duplicates U: 127 70.499 2.335 0.811 0.549 0.857 0.556 CB 1.652 127 residues pruned to eliminate duplicates V: 20 50.576 2.420 1.058 0.911 1.000 0.842 CB 1.652 20 residues pruned to eliminate duplicates W: 31 38.495 2.320 0.943 0.625 0.867 0.467 CB 1.599 31 residues pruned to eliminate duplicates X: 18 44.901 2.494 0.715 0.953 1.000 0.824 CB 1.753 18 residues pruned to eliminate duplicates Y: 51 35.575 2.143 1.001 0.454 0.900 0.580 CB 1.366 43 residues pruned to eliminate duplicates Z: 63 57.346 2.374 0.923 0.580 0.919 0.500 CB 1.607 63 residues pruned to eliminate duplicates Z: 48 48.542 2.435 1.080 0.336 0.936 0.511 CB 1.786 47 residues pruned to eliminate duplicates Z: 21 56.366 2.336 1.404 0.936 1.000 0.900 CB 1.564 21 residues pruned to eliminate duplicates Z: 6 11.792 2.071 0.382 0.590 1.000 0.400 CA 1.691 6 residues pruned to eliminate duplicates Z: 68 47.825 2.209 1.107 0.402 0.925 0.612 CB 1.504 70 residues pruned to eliminate duplicates Z: 9 22.724 2.333 1.216 0.641 0.750 0.750 CB 1.816 9 residues pruned to eliminate duplicates Z: 12 32.753 2.292 1.425 0.650 0.909 0.727 CB 1.699 12 residues pruned to eliminate duplicates Z: 25 48.976 2.454 1.416 0.580 0.875 0.500 CB 1.784 25 residues pruned to eliminate duplicates Z: 21 48.710 2.315 0.995 0.935 1.000 0.850 CB 1.644 21 residues pruned to eliminate duplicates Z: 84 72.881 2.469 1.059 0.575 0.867 0.578 CB 1.687 84 residues pruned to eliminate duplicates Z: 19 56.494 2.371 1.210 0.922 1.000 0.667 CB 1.787 20 residues pruned to eliminate duplicates Z: 42 43.448 2.250 1.107 0.481 0.927 0.561 CB 1.575 42 residues pruned to eliminate duplicates Z: 20 55.023 2.438 1.272 0.925 0.947 0.737 CB 1.688 20 residues pruned to eliminate duplicates Z: 8 16.119 2.382 1.108 0.598 0.714 0.714 CA 1.548 8 residues pruned to eliminate duplicates Z: 19 52.448 2.457 0.976 0.946 1.000 0.500 CB 1.761 18 residues pruned to eliminate duplicates Z: 11 16.599 2.189 1.124 0.549 0.900 0.500 CB 1.196 11 residues pruned to eliminate duplicates Z: 19 45.163 2.457 0.774 0.935 0.944 0.778 CB 1.801 19 residues pruned to eliminate duplicates Z: 21 49.589 2.322 1.129 0.913 1.000 0.800 CB 1.588 21 residues pruned to eliminate duplicates Z: 11 15.126 2.005 0.509 0.462 1.000 0.500 CB 1.643 11 residues pruned to eliminate duplicates Z: 17 30.610 2.266 0.649 0.780 0.938 0.750 CA 1.706 17 residues pruned to eliminate duplicates Z: 53 37.567 2.100 0.963 0.459 0.923 0.615 CB 1.428 53 residues pruned to eliminate duplicates Z: 8 20.084 2.415 1.193 0.520 0.857 0.714 CA 1.639 8 residues pruned to eliminate duplicates Z: 28 45.827 2.478 1.170 0.623 0.889 0.556 CB 1.642 28 residues pruned to eliminate duplicates Z: 25 46.248 2.478 1.127 0.684 0.875 0.625 CB 1.729 25 residues pruned to eliminate duplicates Z: 16 30.884 2.311 0.548 0.806 1.000 0.533 CA 1.707 16 residues pruned to eliminate duplicates Z: 46 39.658 2.218 0.995 0.462 0.911 0.533 CB 1.524 46 residues pruned to eliminate duplicates Z: 54 59.969 2.491 1.246 0.557 0.849 0.679 CB 1.640 54 residues pruned to eliminate duplicates Z: 37 33.014 2.302 0.593 0.553 0.889 0.583 CB 1.603 37 residues pruned to eliminate duplicates Z: 107 82.371 2.424 1.017 0.561 0.953 0.642 CB 1.619 107 residues pruned to eliminate duplicates Z: 19 48.427 2.446 0.949 0.952 1.000 0.722 CB 1.649 19 residues pruned to eliminate duplicates Z: 15 30.141 2.252 1.218 0.468 0.929 0.643 CA 1.794 15 residues pruned to eliminate duplicates Z: 9 18.108 2.189 1.051 0.608 1.000 0.750 CB 1.288 9 residues pruned to eliminate duplicates Z: 15 31.021 2.312 0.552 0.863 1.000 0.714 CA 1.695 15 residues pruned to eliminate duplicates Z: 6 16.437 2.316 1.090 0.798 0.800 0.600 CA 1.462 6 residues pruned to eliminate duplicates Z: 20 54.530 2.403 1.162 0.945 1.000 0.947 CB 1.666 20 residues pruned to eliminate duplicates Z: 20 44.154 2.227 0.967 0.930 1.000 0.632 CB 1.617 20 residues pruned to eliminate duplicates Z: 11 21.280 2.050 1.512 0.704 0.900 0.600 CB 1.205 11 residues pruned to eliminate duplicates Z: 28 50.757 2.483 1.112 0.640 0.889 0.519 CB 1.838 28 residues pruned to eliminate duplicates Z: 6 15.787 2.212 0.977 0.803 1.000 0.800 CB 1.239 6 residues pruned to eliminate duplicates Z: 16 28.645 2.268 0.549 0.803 0.933 0.600 CA 1.731 16 residues pruned to eliminate duplicates Z: 20 56.277 2.330 1.137 0.955 1.000 0.789 CA 1.782 20 residues pruned to eliminate duplicates Z: 16 28.097 2.345 0.402 0.804 1.000 0.600 CA 1.693 16 residues pruned to eliminate duplicates Z: 14 24.191 2.235 0.258 0.870 1.000 0.692 CB 1.742 14 residues pruned to eliminate duplicates Z: 48 45.604 2.238 0.808 0.567 0.957 0.617 CB 1.609 48 residues pruned to eliminate duplicates Z: 19 36.493 2.406 0.468 0.948 0.944 0.833 CA 1.780 19 residues pruned to eliminate duplicates Z: 21 49.155 2.317 1.296 0.881 0.950 0.800 CB 1.575 21 residues pruned to eliminate duplicates Z: 81 75.892 2.505 0.970 0.608 0.913 0.588 CB 1.701 81 residues pruned to eliminate duplicates Z: 35 62.056 2.526 1.356 0.677 0.941 0.559 CB 1.615 35 residues pruned to eliminate duplicates Z: 42 42.051 2.416 1.131 0.334 0.927 0.512 CB 1.649 42 residues pruned to eliminate duplicates Z: 20 55.695 2.427 1.306 0.907 1.000 0.632 CB 1.623 20 residues pruned to eliminate duplicates Z: 8 13.778 2.077 0.139 0.885 1.000 1.000 CB 1.589 8 residues pruned to eliminate duplicates Z: 20 48.835 2.272 0.973 0.941 1.000 0.474 CB 1.734 20 residues pruned to eliminate duplicates Z: 25 35.543 2.209 1.015 0.725 0.875 0.667 CB 1.520 23 residues pruned to eliminate duplicates Z: 10 13.285 2.142 0.805 0.502 1.000 0.333 CB 1.143 10 residues pruned to eliminate duplicates Z: 19 58.130 2.426 1.174 0.955 1.000 0.611 CB 1.786 21 residues pruned to eliminate duplicates Z: 84 78.889 2.489 1.010 0.596 0.916 0.675 CB 1.723 84 residues pruned to eliminate duplicates Z: 16 30.121 2.154 0.545 0.914 1.000 0.733 CB 1.653 16 residues pruned to eliminate duplicates Z: 16 24.761 2.270 0.512 0.566 1.000 0.667 CB 1.748 16 residues pruned to eliminate duplicates Z: 16 28.978 2.249 0.491 0.853 1.000 0.733 CA 1.650 16 residues pruned to eliminate duplicates Z: 21 53.122 2.330 1.139 0.925 1.000 0.850 CB 1.672 21 residues pruned to eliminate duplicates Z: 10 18.386 1.992 0.682 0.825 1.000 0.667 CB 1.380 10 residues pruned to eliminate duplicates Z: 16 27.340 2.253 0.400 0.841 1.000 0.867 CA 1.668 16 residues pruned to eliminate duplicates Z: 31 49.243 2.429 1.070 0.667 0.900 0.600 CB 1.703 31 residues pruned to eliminate duplicates Z: 67 51.379 2.370 1.012 0.414 0.909 0.606 CB 1.596 67 residues pruned to eliminate duplicates Z: 9 18.405 2.203 0.690 0.791 0.875 0.750 CB 1.547 9 residues pruned to eliminate duplicates Z: 17 27.657 2.078 0.385 0.922 1.000 0.750 CA 1.690 17 residues pruned to eliminate duplicates Z: 37 22.600 1.952 0.524 0.513 0.889 0.667 CB 1.405 38 residues pruned to eliminate duplicates Z: 17 23.183 2.195 0.489 0.842 0.812 0.562 CB 1.627 17 residues pruned to eliminate duplicates Z: 16 13.160 1.851 0.678 0.532 0.800 0.533 CA 1.325 Z: 21 36.440 2.246 0.945 0.615 0.950 0.700 CB 1.760 21 residues pruned to eliminate duplicates Z: 18 26.485 2.001 0.599 0.850 0.941 0.647 CA 1.579 18 residues pruned to eliminate duplicates Z: 9 21.884 2.091 0.739 0.898 1.000 0.875 CB 1.523 9 residues pruned to eliminate duplicates Z: 132 75.802 2.342 0.849 0.548 0.893 0.641 CB 1.634 145 residues pruned to eliminate duplicates Z: 18 26.443 2.153 0.550 0.848 0.882 0.471 CB 1.615 18 residues pruned to eliminate duplicates Z: 132 70.371 2.356 0.947 0.415 0.885 0.588 CB 1.653 132 residues pruned to eliminate duplicates Z: 17 25.777 2.173 0.420 0.891 0.938 0.625 CB 1.602 17 residues pruned to eliminate duplicates Z: 132 96.145 2.428 1.026 0.601 0.954 0.603 CB 1.625 132 residues pruned to eliminate duplicates Z: 9 13.202 1.889 0.374 0.806 1.000 0.625 CB 1.377 9 residues pruned to eliminate duplicates Z: 107 56.093 2.193 0.757 0.489 0.925 0.632 CB 1.547 107 residues pruned to eliminate duplicates Z: 100 78.751 2.434 1.004 0.569 0.929 0.556 CB 1.632 100 residues pruned to eliminate duplicates Z: 29 45.316 2.474 0.924 0.629 0.964 0.571 CB 1.652 Z: 20 54.027 2.391 1.254 0.911 1.000 0.842 CB 1.630 20 residues pruned to eliminate duplicates Z: 25 25.374 2.442 0.954 0.242 0.875 0.667 CB 1.672 25 residues pruned to eliminate duplicates Z: 15 35.491 2.356 1.473 0.811 0.929 0.714 CB 1.337 17 residues pruned to eliminate duplicates Z: 16 27.723 2.161 0.535 0.907 0.933 0.800 CB 1.643 16 residues pruned to eliminate duplicates Z: 106 59.379 2.322 0.949 0.387 0.895 0.562 CB 1.613 106 residues pruned to eliminate duplicates Z: 18 26.924 2.064 0.346 0.930 1.000 0.882 CB 1.643 18 residues pruned to eliminate duplicates Z: 18 34.089 2.446 0.315 0.939 1.000 0.824 CA 1.786 18 residues pruned to eliminate duplicates Z: 116 54.218 2.206 0.738 0.444 0.896 0.583 CB 1.559 116 residues pruned to eliminate duplicates Z: 9 11.334 1.914 0.664 0.758 0.750 0.625 CA 1.334 9 residues pruned to eliminate duplicates Z: 39 61.040 2.460 1.307 0.645 0.921 0.658 CB 1.655 39 residues pruned to eliminate duplicates Z: 12 23.892 2.117 0.797 0.674 1.000 0.636 CB 1.613 12 residues pruned to eliminate duplicates Z: 18 20.467 2.138 0.265 0.862 0.882 0.706 CB 1.527 18 residues pruned to eliminate duplicates Z: 9 19.216 2.057 0.654 0.766 1.000 0.750 C 1.577 Z: 43 37.012 2.232 0.909 0.473 0.881 0.548 CB 1.564 43 residues pruned to eliminate duplicates Z: 17 28.327 2.214 0.505 0.864 0.938 0.688 CB 1.663 17 residues pruned to eliminate duplicates Z: 36 31.282 2.334 0.690 0.555 0.800 0.514 CB 1.588 36 residues pruned to eliminate duplicates Z: 9 16.270 1.848 0.516 0.795 1.000 0.875 CB 1.585 9 residues pruned to eliminate duplicates Z: 17 25.843 2.174 0.500 0.856 0.938 0.500 CB 1.559 17 residues pruned to eliminate duplicates Z: 11 16.821 1.968 0.867 0.812 0.900 0.800 CB 1.227 11 residues pruned to eliminate duplicates Z: 8 13.742 2.187 0.469 0.819 0.857 0.714 CA 1.429 8 residues pruned to eliminate duplicates Z: 15 36.076 2.336 1.060 0.671 0.929 0.714 CA 1.843 15 residues pruned to eliminate duplicates Z: 17 24.518 2.224 0.314 0.793 1.000 0.625 CA 1.623 17 residues pruned to eliminate duplicates Z: 75 39.919 2.171 0.646 0.474 0.851 0.595 CB 1.566 75 residues pruned to eliminate duplicates Z: 12 16.404 2.056 0.467 0.613 0.909 0.636 CB 1.621 7 residues pruned to eliminate duplicates Z: 24 14.318 1.886 0.465 0.442 0.870 0.391 CB 1.319 24 residues pruned to eliminate duplicates Z: 36 51.163 2.437 1.110 0.644 0.914 0.600 CB 1.607 36 residues pruned to eliminate duplicates Z: 8 16.638 2.155 0.656 0.868 0.857 0.714 CB 1.503 8 residues pruned to eliminate duplicates Z: 88 49.491 2.161 0.798 0.498 0.897 0.552 CB 1.527 88 residues pruned to eliminate duplicates Z: 51 37.712 2.184 0.996 0.449 0.900 0.540 CB 1.432 51 residues pruned to eliminate duplicates Z: 84 83.052 2.515 1.014 0.612 0.940 0.651 CB 1.722 84 residues pruned to eliminate duplicates Z: 11 22.432 2.547 0.954 0.416 0.900 0.600 CB 1.729 11 residues pruned to eliminate duplicates Z: 10 15.362 2.097 0.629 0.565 0.889 0.667 CB 1.584 10 residues pruned to eliminate duplicates Z: 20 61.874 2.453 1.358 0.950 1.000 0.737 CB 1.693 20 residues pruned to eliminate duplicates Z: 18 22.964 2.123 0.681 0.788 0.824 0.588 CB 1.471 18 residues pruned to eliminate duplicates Z: 8 9.866 2.140 0.395 0.748 0.714 0.571 CA 1.401 8 residues pruned to eliminate duplicates Z: 49 39.091 2.110 1.055 0.539 0.875 0.542 CB 1.431 49 residues pruned to eliminate duplicates Z: 20 52.986 2.316 1.306 0.899 0.947 0.632 CA 1.717 20 residues pruned to eliminate duplicates Z: 70 52.532 2.267 0.915 0.517 0.884 0.580 CB 1.620 70 residues pruned to eliminate duplicates Z: 14 27.900 2.279 1.008 0.596 0.923 0.538 CB 1.671 14 residues pruned to eliminate duplicates Z: 9 30.464 2.286 1.083 0.882 1.000 0.750 CB 1.637 9 residues pruned to eliminate duplicates Z: 65 50.378 2.357 0.758 0.450 0.938 0.594 CB 1.707 65 residues pruned to eliminate duplicates Z: 50 42.814 2.187 1.053 0.448 0.959 0.551 CB 1.498 50 residues pruned to eliminate duplicates Z: 6 13.192 2.386 1.089 0.643 0.800 0.800 CA 1.294 6 residues pruned to eliminate duplicates Z: 11 12.779 1.809 0.821 0.556 0.800 0.600 CB 1.453 10 residues pruned to eliminate duplicates Z: 9 29.305 2.293 0.950 0.893 1.000 0.625 CB 1.663 9 residues pruned to eliminate duplicates Z: 12 15.060 1.864 0.878 0.668 0.818 0.636 CA 1.356 Z: 17 24.677 2.131 0.418 0.830 0.938 0.812 CB 1.637 17 residues pruned to eliminate duplicates Z: 7 7.814 1.637 0.542 0.642 1.000 0.667 O 1.107 7 residues pruned to eliminate duplicates Z: 17 19.711 2.208 1.009 0.436 0.875 0.500 CB 1.356 17 residues pruned to eliminate duplicates Z: 58 55.976 2.442 0.987 0.517 0.877 0.579 CB 1.713 58 residues pruned to eliminate duplicates Z: 34 39.922 2.273 1.062 0.551 0.848 0.545 CB 1.663 66 residues pruned to eliminate duplicates Z: 9 33.038 2.221 1.322 0.916 1.000 0.750 CB 1.600 9 residues pruned to eliminate duplicates Z: 16 30.542 2.293 0.517 0.811 1.000 0.600 CA 1.730 16 residues pruned to eliminate duplicates Z: 18 35.030 2.428 0.397 0.948 1.000 0.941 CA 1.730 18 residues pruned to eliminate duplicates Z: 64 50.170 2.296 0.756 0.487 0.952 0.556 CB 1.669 64 residues pruned to eliminate duplicates Z: 12 34.370 2.413 1.465 0.522 0.909 0.545 CB 1.875 Z: 19 35.181 2.414 0.419 0.933 1.000 0.722 CB 1.690 19 residues pruned to eliminate duplicates Z: 65 50.760 2.398 0.714 0.526 0.906 0.516 CB 1.660 65 residues pruned to eliminate duplicates Z: 76 32.503 1.959 0.643 0.466 0.867 0.547 CB 1.392 88 residues pruned to eliminate duplicates Z: 10 15.538 1.747 0.698 0.816 1.000 0.778 CA 1.327 10 residues pruned to eliminate duplicates Z: 14 13.899 1.855 0.434 0.862 0.923 0.769 CB 1.152 14 residues pruned to eliminate duplicates Z: 10 17.785 2.040 0.886 0.842 0.889 0.556 CB 1.291 10 residues pruned to eliminate duplicates Z: 20 34.237 2.261 0.872 0.657 0.947 0.579 CB 1.694 30 residues pruned to eliminate duplicates Z: 18 26.509 2.127 0.484 0.876 0.941 0.588 CB 1.573 18 residues pruned to eliminate duplicates Z: 18 29.572 2.393 0.230 0.937 1.000 0.706 CB 1.696 18 residues pruned to eliminate duplicates Z: 50 42.728 2.183 1.101 0.462 0.939 0.633 CB 1.474 51 residues pruned to eliminate duplicates Z: 45 71.025 2.554 1.313 0.667 0.909 0.727 CB 1.708 45 residues pruned to eliminate duplicates Z: 9 19.702 1.878 0.696 0.859 1.000 0.875 N 1.609 9 residues pruned to eliminate duplicates Z: 44 62.356 2.506 1.216 0.636 0.930 0.721 CB 1.620 44 residues pruned to eliminate duplicates Z: 9 21.844 2.084 1.089 0.626 1.000 0.875 CA 1.576 9 residues pruned to eliminate duplicates Z: 56 42.202 2.227 0.946 0.465 0.891 0.473 CB 1.528 55 residues pruned to eliminate duplicates Z: 9 28.467 2.268 0.955 0.899 1.000 0.875 CB 1.622 9 residues pruned to eliminate duplicates Z: 14 16.473 1.856 0.515 0.907 1.000 0.846 CB 1.155 14 residues pruned to eliminate duplicates Z: 6 2.966 1.243 1.156 0.634 0.800 0.400 CB 0.546 6 residues pruned to eliminate duplicates Z: 10 8.124 1.810 1.034 0.642 0.778 0.667 CB 0.828 Z: 18 28.276 2.146 0.611 0.873 0.941 0.529 CB 1.535 18 residues pruned to eliminate duplicates Z: 10 8.367 1.768 0.842 0.631 0.778 0.778 CA 0.973 10 residues pruned to eliminate duplicates Z: 18 15.153 2.108 0.695 0.379 0.824 0.824 CB 1.422 18 residues pruned to eliminate duplicates Z: 9 16.607 2.009 0.466 0.818 1.000 0.625 CA 1.512 Z: 13 18.037 2.060 0.551 0.708 0.917 0.667 CB 1.472 Z: 30 39.410 2.586 1.185 0.273 0.862 0.552 CB 1.944 30 residues pruned to eliminate duplicates Z: 12 11.602 1.894 0.531 0.698 1.000 0.909 CB 1.007 Z: 14 13.956 1.836 0.400 0.870 1.000 0.846 CB 1.099 14 residues pruned to eliminate duplicates Z: 9 25.828 2.238 0.916 0.882 1.000 0.750 CB 1.541 9 residues pruned to eliminate duplicates Z: 11 15.838 2.054 0.594 0.689 0.900 0.600 CB 1.430 11 residues pruned to eliminate duplicates Z: 7 7.083 1.952 0.031 0.604 1.000 0.333 CB 1.301 7 residues pruned to eliminate duplicates Z: 18 23.837 2.490 0.753 0.352 0.882 0.647 CB 1.762 18 residues pruned to eliminate duplicates Z: 11 14.989 1.906 0.574 0.841 1.000 0.900 CA 1.179 10 residues pruned to eliminate duplicates Z: 18 12.919 1.928 0.537 0.431 1.000 0.471 CB 1.136 18 residues pruned to eliminate duplicates Z: 9 14.016 1.989 0.309 0.910 0.875 0.750 CA 1.543 10 residues pruned to eliminate duplicates Z: 78 61.309 2.366 0.936 0.454 0.948 0.571 CB 1.686 78 residues pruned to eliminate duplicates Z: 8 21.183 2.258 0.548 0.821 1.000 0.857 CA 1.734 15 residues pruned to eliminate duplicates Z: 10 11.830 1.656 0.946 0.628 0.889 0.667 CB 1.221 Z: 31 23.127 2.013 0.748 0.411 0.867 0.367 CB 1.520 40 residues pruned to eliminate duplicates Z: 10 13.720 1.983 0.308 0.808 1.000 0.667 CA 1.348 Z: 8 8.467 2.034 -0.193 0.720 1.000 0.571 CB 1.597 Z: 8 14.457 2.109 0.458 0.878 0.857 0.857 CB 1.504 8 residues pruned to eliminate duplicates Z: 18 32.982 2.311 1.077 0.751 0.941 0.647 CB 1.416 9 residues pruned to eliminate duplicates Z: 21 43.943 2.273 1.254 0.877 0.900 0.850 CB 1.548 21 residues pruned to eliminate duplicates Z: 115 57.305 2.216 0.834 0.433 0.921 0.614 CB 1.537 127 residues pruned to eliminate duplicates Z: 85 52.122 2.309 0.807 0.430 0.905 0.583 CB 1.619 85 residues pruned to eliminate duplicates Z: 29 53.183 2.427 1.479 0.661 0.857 0.643 CB 1.679 31 residues pruned to eliminate duplicates Z: 20 56.649 2.427 1.369 0.932 1.000 0.579 CB 1.578 20 residues pruned to eliminate duplicates Z: 14 24.817 2.064 0.840 0.693 1.000 0.846 CB 1.518 24 residues pruned to eliminate duplicates Z: 17 31.473 2.107 0.689 0.922 0.938 0.688 CB 1.659 17 residues pruned to eliminate duplicates Z: 32 23.413 1.979 0.918 0.487 0.903 0.581 CB 1.242 32 residues pruned to eliminate duplicates Z: 8 11.927 1.945 0.595 0.735 0.857 0.857 N 1.374 8 residues pruned to eliminate duplicates Z: 49 37.704 2.210 0.650 0.512 0.917 0.583 CB 1.609 49 residues pruned to eliminate duplicates Z: 85 74.308 2.453 1.077 0.560 0.905 0.643 CB 1.659 85 residues pruned to eliminate duplicates Z: 10 21.170 2.077 0.902 0.698 0.889 0.667 C 1.677 10 residues pruned to eliminate duplicates Z: 28 15.251 1.926 0.597 0.471 0.778 0.630 CB 1.264 38 residues pruned to eliminate duplicates Z: 16 28.827 2.171 0.552 0.921 0.933 0.733 CB 1.666 16 residues pruned to eliminate duplicates Z: 55 35.349 2.224 0.605 0.499 0.889 0.481 CB 1.517 55 residues pruned to eliminate duplicates Z: 14 15.777 1.844 0.462 0.852 1.000 0.846 CB 1.201 14 residues pruned to eliminate duplicates Z: 12 17.600 1.907 0.625 0.884 1.000 0.727 CB 1.237 12 residues pruned to eliminate duplicates Z: 11 7.584 1.872 -0.297 0.546 1.000 0.600 CB 1.742 Z: 29 25.994 2.068 0.592 0.604 0.929 0.786 CB 1.455 29 residues pruned to eliminate duplicates Z: 8 9.576 2.032 0.409 0.455 0.857 0.429 CB 1.545 6 residues pruned to eliminate duplicates Z: 9 27.305 2.237 1.487 0.815 1.000 0.875 N 1.320 Z: 8 5.376 1.624 0.141 0.590 0.857 0.429 CA 1.174 8 residues pruned to eliminate duplicates Z: 13 17.121 1.886 0.446 0.926 1.000 0.917 CB 1.271 13 residues pruned to eliminate duplicates Z: 17 26.851 2.184 0.575 0.890 0.875 0.625 CB 1.604 17 residues pruned to eliminate duplicates Z: 16 25.286 2.164 1.379 0.638 0.867 0.667 CB 1.286 16 residues pruned to eliminate duplicates Z: 56 43.134 2.222 0.742 0.510 0.909 0.545 CB 1.638 56 residues pruned to eliminate duplicates Z: 9 6.272 1.754 0.029 0.472 1.000 0.500 O 1.265 Z: 7 9.802 1.832 0.475 0.766 0.833 0.500 CB 1.404 7 residues pruned to eliminate duplicates Z: 20 37.576 2.327 0.607 0.903 1.000 0.947 CA 1.643 20 residues pruned to eliminate duplicates Z: 21 12.823 1.778 0.400 0.602 0.850 0.700 CB 1.230 21 residues pruned to eliminate duplicates Z: 10 4.138 1.706 0.373 0.355 0.556 0.444 O 1.240 Z: 6 2.691 1.667 0.613 0.288 0.600 0.600 CB 0.947 Z: 20 46.954 2.369 1.163 0.926 0.947 0.737 CB 1.556 20 residues pruned to eliminate duplicates Z: 19 38.295 2.359 0.519 0.938 1.000 0.944 CA 1.752 19 residues pruned to eliminate duplicates Z: 20 38.315 2.321 0.608 0.910 1.000 0.895 CA 1.669 20 residues pruned to eliminate duplicates Z: 8 8.874 1.711 0.465 0.902 1.000 1.000 CB 0.954 Z: 61 63.220 2.436 1.127 0.583 0.917 0.733 CB 1.588 61 residues pruned to eliminate duplicates Z: 54 38.575 2.134 0.922 0.463 0.962 0.566 CB 1.395 62 residues pruned to eliminate duplicates Z: 6 5.863 2.004 -0.281 0.628 1.000 0.800 CB 1.613 6 residues pruned to eliminate duplicates Z: 39 24.505 2.034 0.833 0.350 0.895 0.553 CB 1.402 39 residues pruned to eliminate duplicates Z: 85 61.720 2.387 0.944 0.423 0.905 0.655 CB 1.737 85 residues pruned to eliminate duplicates Z: 22 37.256 2.319 0.991 0.733 0.952 0.667 CB 1.499 22 residues pruned to eliminate duplicates Z: 9 8.794 1.650 0.902 0.421 0.875 0.500 O 1.230 Z: 19 13.114 1.799 0.738 0.353 0.889 0.444 CB 1.305 20 residues pruned to eliminate duplicates Z: 7 3.759 1.734 0.400 0.432 0.667 0.667 CB 1.018 Z: 79 49.956 2.198 0.752 0.542 0.885 0.577 CB 1.593 79 residues pruned to eliminate duplicates Z: 6 7.873 1.789 0.371 0.739 1.000 0.600 CB 1.158 6 residues pruned to eliminate duplicates Z: 49 40.626 2.397 0.866 0.356 0.917 0.583 CB 1.671 49 residues pruned to eliminate duplicates Z: 63 48.212 2.301 0.791 0.483 0.919 0.629 CB 1.644 63 residues pruned to eliminate duplicates Z: 41 46.722 2.282 1.027 0.519 0.975 0.575 CB 1.607 41 residues pruned to eliminate duplicates Z: 19 23.573 2.428 0.908 0.439 0.889 0.667 CB 1.437 19 residues pruned to eliminate duplicates Z: 13 15.710 1.884 0.686 0.888 1.000 0.833 CB 1.029 13 residues pruned to eliminate duplicates Z: 13 15.969 1.897 0.590 0.928 1.000 0.750 CB 1.071 13 residues pruned to eliminate duplicates Z: 17 14.011 1.835 0.281 0.661 0.938 0.625 CB 1.370 18 residues pruned to eliminate duplicates Z: 8 5.123 1.577 0.546 0.338 0.857 0.714 CB 1.106 Z: 68 69.452 2.545 1.016 0.566 0.910 0.746 CB 1.705 68 residues pruned to eliminate duplicates Z: 95 74.514 2.420 0.970 0.564 0.926 0.670 CB 1.638 95 residues pruned to eliminate duplicates Z: 24 17.054 1.968 0.665 0.460 0.870 0.522 CB 1.299 24 residues pruned to eliminate duplicates Z: 20 24.142 2.442 0.988 0.287 0.842 0.579 CB 1.722 20 residues pruned to eliminate duplicates Z: 32 26.126 2.072 0.799 0.482 0.839 0.484 CB 1.529 33 residues pruned to eliminate duplicates Z: 6 5.624 1.929 0.728 0.340 1.000 0.400 CB 0.898 6 residues pruned to eliminate duplicates Z: 51 29.856 2.084 0.575 0.468 0.900 0.520 CB 1.476 51 residues pruned to eliminate duplicates Z: 12 6.903 1.909 0.268 0.185 0.818 0.364 CB 1.534 12 residues pruned to eliminate duplicates Z: 132 84.939 2.415 0.867 0.592 0.916 0.565 CB 1.646 163 residues pruned to eliminate duplicates Z: 9 6.189 1.896 0.211 0.488 0.750 0.500 CB 1.285 8 residues pruned to eliminate duplicates Z: 31 46.474 2.410 1.145 0.618 0.933 0.600 CB 1.574 Z: 41 27.112 1.973 0.841 0.453 0.875 0.475 CB 1.415 35 residues pruned to eliminate duplicates Z: 44 23.483 1.890 0.757 0.438 0.884 0.488 CB 1.301 44 residues pruned to eliminate duplicates Z: 6 5.339 1.610 0.291 0.705 1.000 1.000 CA 0.953 6 residues pruned to eliminate duplicates Z: 16 22.831 2.116 0.500 0.834 0.867 0.533 CB 1.606 16 residues pruned to eliminate duplicates Z: 86 56.245 2.339 0.876 0.425 0.871 0.588 CB 1.727 86 residues pruned to eliminate duplicates Z: 23 22.153 2.111 0.733 0.550 0.864 0.500 CB 1.424 23 residues pruned to eliminate duplicates Z: 9 16.725 1.903 0.430 0.832 1.000 0.875 CB 1.631 9 residues pruned to eliminate duplicates Z: 17 27.419 2.311 0.869 0.592 0.938 0.750 CB 1.550 17 residues pruned to eliminate duplicates Z: 21 27.323 2.275 1.045 0.528 0.800 0.450 CB 1.596 21 residues pruned to eliminate duplicates Z: 10 23.910 2.308 1.007 0.671 1.000 0.556 CB 1.470 10 residues pruned to eliminate duplicates Z: 17 28.609 2.203 0.624 0.887 0.875 0.438 CB 1.647 17 residues pruned to eliminate duplicates Z: 6 2.691 1.797 -0.194 0.246 1.000 0.600 CB 1.113 Z: 11 9.397 1.952 0.631 0.482 0.800 0.700 CB 1.189 11 residues pruned to eliminate duplicates Z: 12 15.000 2.018 0.188 0.805 1.000 0.727 CA 1.445 12 residues pruned to eliminate duplicates Z: 7 8.115 1.814 1.054 0.543 0.667 0.667 C 1.279 27 residues pruned to eliminate duplicates Z: 19 38.811 2.296 0.804 0.939 0.944 0.556 CB 1.625 19 residues pruned to eliminate duplicates Z: 34 25.412 2.019 0.867 0.420 0.939 0.545 CB 1.358 42 residues pruned to eliminate duplicates Z: 31 17.212 1.911 0.561 0.392 0.867 0.467 CB 1.363 31 residues pruned to eliminate duplicates Z: 47 25.442 1.951 0.595 0.531 0.891 0.717 CB 1.312 47 residues pruned to eliminate duplicates Z: 20 57.410 2.447 1.431 0.917 0.947 0.842 CB 1.650 20 residues pruned to eliminate duplicates Z: 37 26.646 2.004 0.695 0.465 0.917 0.472 CB 1.478 37 residues pruned to eliminate duplicates Z: 59 42.391 2.155 0.778 0.501 0.897 0.586 CB 1.620 59 residues pruned to eliminate duplicates Z: 8 5.084 1.684 -0.127 0.778 1.000 0.857 CB 1.023 Z: 9 25.264 2.106 0.897 0.849 1.000 1.000 CB 1.657 Z: 19 38.339 2.326 0.871 0.919 0.944 0.611 CB 1.550 19 residues pruned to eliminate duplicates Z: 20 45.116 2.344 0.898 0.920 1.000 0.895 CB 1.638 20 residues pruned to eliminate duplicates Z: 9 11.631 1.834 0.931 0.667 0.875 0.875 CB 1.137 10 residues pruned to eliminate duplicates Z: 6 3.711 1.823 -0.258 0.552 0.800 0.400 O 1.458 Z: 58 30.724 1.945 0.660 0.496 0.912 0.544 CB 1.387 89 residues pruned to eliminate duplicates Z: 40 24.567 1.955 0.716 0.452 0.923 0.538 CB 1.335 40 residues pruned to eliminate duplicates Z: 53 46.781 2.463 0.739 0.548 0.865 0.500 CB 1.669 53 residues pruned to eliminate duplicates Z: 36 29.290 2.032 0.693 0.497 0.971 0.600 CB 1.485 36 residues pruned to eliminate duplicates Z: 101 67.932 2.390 0.910 0.449 0.930 0.620 CB 1.686 101 residues pruned to eliminate duplicates Z: 45 27.084 1.963 0.734 0.458 0.864 0.523 CB 1.451 45 residues pruned to eliminate duplicates Z: 12 11.002 1.940 0.418 0.571 0.909 0.455 CB 1.239 Z: 34 51.122 2.377 1.094 0.654 0.909 0.667 CB 1.704 12 residues pruned to eliminate duplicates Z: 6 3.576 1.570 0.463 0.511 0.800 0.600 C 0.861 Z: 6 4.135 1.380 0.711 0.436 0.800 0.600 N 1.045 Z: 67 47.596 2.363 0.666 0.492 0.909 0.439 CB 1.651 67 residues pruned to eliminate duplicates Z: 6 11.524 1.949 0.736 0.589 1.000 0.600 CA 1.398 6 residues pruned to eliminate duplicates Z: 8 5.225 1.687 0.486 0.541 0.857 0.714 CB 0.883 Z: 48 68.735 2.526 1.200 0.628 0.936 0.617 CB 1.709 48 residues pruned to eliminate duplicates Z: 8 6.416 1.783 0.331 0.428 0.857 0.429 CB 1.285 8 residues pruned to eliminate duplicates Z: 122 58.780 2.197 0.707 0.461 0.926 0.587 CB 1.601 122 residues pruned to eliminate duplicates Z: 9 7.344 2.043 0.004 0.375 1.000 0.500 CB 1.447 20 residues pruned to eliminate duplicates Z: 40 24.500 1.957 0.646 0.447 0.897 0.462 CB 1.434 40 residues pruned to eliminate duplicates Z: 6 3.306 1.559 0.214 0.415 1.000 0.800 CB 0.853 Z: 17 46.867 2.490 1.021 0.929 0.938 0.812 CB 1.738 17 residues pruned to eliminate duplicates Z: 13 9.802 2.016 0.736 0.236 0.750 0.500 CB 1.466 13 residues pruned to eliminate duplicates Z: 9 12.984 1.729 0.786 0.901 1.000 0.875 CB 1.061 Z: 8 3.358 1.423 0.414 0.439 0.714 0.429 CA 0.940 Z: 22 37.653 2.263 0.992 0.719 1.000 0.667 CB 1.495 22 residues pruned to eliminate duplicates Z: 17 29.918 2.137 0.643 0.888 0.938 0.562 CB 1.638 17 residues pruned to eliminate duplicates Z: 113 72.412 2.385 0.971 0.443 0.902 0.589 CB 1.711 113 residues pruned to eliminate duplicates Z: 6 2.650 1.773 0.702 0.396 0.600 0.600 N 0.730 Z: 29 31.427 2.462 1.069 0.268 0.893 0.571 CB 1.700 29 residues pruned to eliminate duplicates Z: 75 39.157 2.128 0.707 0.440 0.905 0.541 CB 1.473 75 residues pruned to eliminate duplicates Z: 37 21.661 1.887 0.769 0.474 0.833 0.472 CB 1.332 37 residues pruned to eliminate duplicates Z: 9 12.514 1.728 0.770 0.851 1.000 0.625 CB 1.070 9 residues pruned to eliminate duplicates Z: 29 39.664 2.366 1.183 0.492 0.857 0.571 CB 1.708 29 residues pruned to eliminate duplicates Z: 10 4.205 1.865 0.439 0.269 0.667 0.556 CA 1.019 10 residues pruned to eliminate duplicates Z: 7 2.157 1.344 0.159 0.330 0.833 0.333 CB 0.817 Z: 109 81.351 2.397 1.049 0.558 0.935 0.685 CB 1.611 143 residues pruned to eliminate duplicates 6 1.551 1.550 0.502 0.132 0.600 0.400 CB 0.786 ? Z: 64 68.800 2.513 1.172 0.555 0.905 0.587 CB 1.664 64 residues pruned to eliminate duplicates Z: 12 12.080 1.924 0.707 0.514 0.909 0.727 CB 1.203 12 residues pruned to eliminate duplicates Z: 9 9.710 1.819 0.883 0.692 0.750 0.750 N 1.121 9 residues pruned to eliminate duplicates Z: 9 16.170 1.944 0.512 0.847 1.000 0.500 CA 1.443 Z: 48 50.096 2.360 1.148 0.608 0.915 0.723 CB 1.422 48 residues pruned to eliminate duplicates Z: 97 49.393 2.147 0.783 0.461 0.917 0.573 CB 1.494 97 residues pruned to eliminate duplicates Z: 17 31.961 2.310 0.474 0.835 1.000 0.688 CA 1.758 17 residues pruned to eliminate duplicates Z: 6 8.207 1.974 -0.034 0.841 1.000 0.800 CB 1.437 Z: 32 45.207 2.464 1.082 0.607 0.968 0.806 CB 1.478 32 residues pruned to eliminate duplicates Z: 10 5.019 1.486 0.539 0.360 1.000 0.667 CB 0.850 Z: 13 9.326 1.882 0.029 0.580 0.833 0.417 O 1.546 6 residues pruned to eliminate duplicates Z: 53 69.084 2.521 1.099 0.606 0.923 0.673 CB 1.774 53 residues pruned to eliminate duplicates Z: 76 52.069 2.201 0.805 0.499 0.933 0.600 CB 1.624 76 residues pruned to eliminate duplicates Z: 6 7.811 2.007 -0.126 0.802 1.000 1.000 CB 1.530 6 residues pruned to eliminate duplicates Z: 39 32.196 2.244 0.914 0.474 0.763 0.421 CB 1.636 39 residues pruned to eliminate duplicates Z: 79 66.005 2.346 0.897 0.591 0.949 0.603 CB 1.622 79 residues pruned to eliminate duplicates Z: 52 21.391 1.843 0.640 0.387 0.843 0.451 CB 1.325 71 residues pruned to eliminate duplicates Z: 84 56.030 2.308 0.934 0.430 0.892 0.602 CB 1.662 84 residues pruned to eliminate duplicates Z: 10 7.437 1.761 0.914 0.342 0.778 0.444 CB 1.123 10 residues pruned to eliminate duplicates Z: 10 9.589 2.008 -0.053 0.609 0.889 0.556 C 1.705 Z: 42 38.920 2.244 1.056 0.612 0.829 0.537 CB 1.429 42 residues pruned to eliminate duplicates Z: 10 3.893 1.589 0.346 0.289 0.667 0.333 CA 1.153 10 residues pruned to eliminate duplicates Z: 7 5.101 1.906 0.310 0.246 0.833 0.500 CA 1.342 7 residues pruned to eliminate duplicates Z: 65 71.564 2.548 1.110 0.575 0.906 0.516 CB 1.708 65 residues pruned to eliminate duplicates Z: 12 8.230 1.886 0.750 0.327 0.727 0.364 CB 1.251 Z: 38 28.206 2.030 0.677 0.475 0.946 0.486 CB 1.478 38 residues pruned to eliminate duplicates Z: 108 65.593 2.327 0.892 0.475 0.907 0.607 CB 1.629 117 residues pruned to eliminate duplicates Z: 8 4.929 1.444 0.562 0.622 0.857 0.714 CB 0.859 Z: 14 28.536 2.424 0.882 0.724 0.923 0.538 CB 1.535 10 residues pruned to eliminate duplicates Z: 14 15.026 1.833 0.549 0.867 0.923 0.846 CB 1.162 14 residues pruned to eliminate duplicates Z: 7 11.336 1.925 0.790 0.579 1.000 0.833 CA 1.244 Z: 6 6.122 1.646 0.388 0.766 0.800 0.600 CB 1.183 6 residues pruned to eliminate duplicates Z: 12 8.828 1.787 0.048 0.570 0.909 0.455 O 1.461 13 residues pruned to eliminate duplicates Z: 84 72.245 2.457 0.984 0.599 0.892 0.614 CB 1.661 84 residues pruned to eliminate duplicates Z: 20 29.229 2.309 0.889 0.690 0.895 0.526 CB 1.444 15 residues pruned to eliminate duplicates Z: 7 4.297 1.558 -0.129 0.528 1.000 0.500 CB 1.257 6 residues pruned to eliminate duplicates Z: 18 32.074 2.399 1.151 0.586 0.941 0.647 CB 1.475 18 residues pruned to eliminate duplicates Z: 11 12.682 1.842 0.747 0.558 0.800 0.600 CA 1.472 11 residues pruned to eliminate duplicates Z: 10 9.795 1.761 0.787 0.525 0.889 0.556 CB 1.139 10 residues pruned to eliminate duplicates Z: 20 19.661 1.958 0.713 0.650 0.895 0.421 CB 1.308 20 residues pruned to eliminate duplicates Z: 11 7.479 1.696 0.390 0.304 0.900 0.400 CB 1.386 11 residues pruned to eliminate duplicates Z: 39 45.706 2.526 1.058 0.339 0.947 0.553 CB 1.794 39 residues pruned to eliminate duplicates Z: 6 4.145 1.514 0.367 0.496 0.800 0.800 CA 1.125 6 residues pruned to eliminate duplicates Z: 8 7.469 1.885 -0.091 0.788 1.000 0.714 CB 1.279 7 residues pruned to eliminate duplicates Z: 10 2.741 1.417 0.182 0.351 0.889 0.444 C 0.721 Z: 21 14.372 1.940 0.629 0.479 0.800 0.450 CA 1.298 28 residues pruned to eliminate duplicates Z: 85 41.215 2.073 0.628 0.495 0.917 0.679 CB 1.461 85 residues pruned to eliminate duplicates Z: 6 3.584 1.515 0.844 0.299 0.800 0.400 C 0.898 Z: 9 22.814 2.188 0.563 0.798 1.000 0.875 CA 1.817 Z: 21 23.603 2.264 0.828 0.560 0.850 0.750 CB 1.415 21 residues pruned to eliminate duplicates Z: 14 11.323 2.173 0.923 0.262 0.692 0.308 CB 1.425 14 residues pruned to eliminate duplicates Z: 52 34.259 2.120 0.919 0.438 0.882 0.529 CB 1.426 52 residues pruned to eliminate duplicates Z: 8 7.484 1.629 0.745 0.355 0.857 0.714 C 1.358 8 residues pruned to eliminate duplicates Z: 8 7.110 1.906 0.019 0.594 1.000 0.429 CB 1.264 8 residues pruned to eliminate duplicates Z: 12 17.664 2.260 0.619 0.431 1.000 0.818 CB 1.563 12 residues pruned to eliminate duplicates Z: 44 57.585 2.376 1.066 0.693 0.953 0.698 CB 1.573 44 residues pruned to eliminate duplicates Z: 104 47.176 2.287 0.743 0.369 0.835 0.544 CB 1.607 104 residues pruned to eliminate duplicates Z: 7 8.290 1.707 0.464 0.681 1.000 0.833 CB 1.146 6 residues pruned to eliminate duplicates Z: 8 9.093 1.907 0.294 0.517 1.000 0.714 CB 1.369 8 residues pruned to eliminate duplicates Z: 25 27.783 2.231 0.954 0.430 0.875 0.625 CB 1.600 25 residues pruned to eliminate duplicates Z: 40 31.619 2.109 1.004 0.435 0.923 0.538 CB 1.388 40 residues pruned to eliminate duplicates Z: 15 33.771 2.536 1.492 0.467 0.857 0.571 CB 1.722 15 residues pruned to eliminate duplicates Z: 19 44.186 2.329 1.062 0.848 1.000 0.722 CA 1.609 19 residues pruned to eliminate duplicates Z: 95 66.102 2.414 0.918 0.577 0.851 0.585 CB 1.606 113 residues pruned to eliminate duplicates Z: 10 8.516 1.683 0.349 0.758 0.889 0.667 CB 1.118 10 residues pruned to eliminate duplicates Z: 52 31.256 2.082 0.889 0.409 0.863 0.647 CB 1.419 52 residues pruned to eliminate duplicates Z: 6 5.159 1.644 0.458 0.724 0.800 0.400 CB 0.983 6 residues pruned to eliminate duplicates Z: 13 23.298 2.532 1.033 0.339 0.833 0.500 CB 1.868 13 residues pruned to eliminate duplicates Z: 10 2.359 1.368 0.040 0.497 0.556 0.556 O 0.998 Using tripeptides from previous cycle as seeds Z: 9 6.749 1.652 0.461 0.340 0.875 0.375 CB 1.345 9 residues pruned to eliminate duplicates Z: 6 13.647 2.205 1.339 0.458 0.800 0.800 CA 1.543 Z: 6 12.669 1.849 1.405 0.467 1.000 0.600 N 1.317 5 residues pruned to eliminate duplicates Z: 7 7.800 1.991 1.171 0.435 0.667 0.333 CA 1.182 7 residues pruned to eliminate duplicates Z: 33 48.836 2.384 1.094 0.620 0.906 0.562 CB 1.703 29 residues pruned to eliminate duplicates Z: 6 6.933 1.624 0.817 0.323 1.000 0.400 C 1.277 6 residues pruned to eliminate duplicates Z: 22 29.620 2.397 0.871 0.650 0.905 0.619 CB 1.385 26 residues pruned to eliminate duplicates Z: 7 10.743 1.922 1.037 0.461 0.833 0.333 CB 1.399 7 residues pruned to eliminate duplicates Z: 15 44.296 2.519 1.121 0.729 1.000 0.500 CB 1.802 15 residues pruned to eliminate duplicates Z: 36 54.300 2.463 1.136 0.683 0.943 0.657 CB 1.564 32 residues pruned to eliminate duplicates Z: 7 10.647 2.043 1.411 0.363 0.667 0.167 CA 1.535 7 residues pruned to eliminate duplicates Z: 22 41.427 2.336 1.141 0.807 0.952 0.762 CB 1.453 22 residues pruned to eliminate duplicates Z: 32 54.896 2.468 1.148 0.679 0.935 0.710 CB 1.686 32 residues pruned to eliminate duplicates Z: 16 14.990 1.980 0.662 0.529 0.867 0.600 CB 1.318 16 residues pruned to eliminate duplicates Z: 10 14.693 2.012 0.602 0.681 0.889 0.667 CB 1.448 10 residues pruned to eliminate duplicates Z: 8 6.767 1.741 0.427 0.531 0.714 0.571 CB 1.397 8 residues pruned to eliminate duplicates Z: 8 6.013 1.768 0.411 0.398 0.714 0.429 CB 1.421 8 residues pruned to eliminate duplicates Z: 133 91.600 2.419 0.962 0.595 0.947 0.644 CB 1.621 166 residues pruned to eliminate duplicates Z: 12 15.830 2.235 0.840 0.617 0.727 0.545 CB 1.429 Z: 21 41.029 2.297 0.742 0.861 1.000 0.950 CA 1.685 21 residues pruned to eliminate duplicates Z: 33 49.079 2.431 0.712 0.729 0.969 0.781 CB 1.752 33 residues pruned to eliminate duplicates Z: 36 33.120 2.287 0.792 0.617 0.829 0.571 CB 1.476 38 residues pruned to eliminate duplicates Z: 20 35.350 2.312 0.424 0.952 1.000 0.842 CA 1.696 20 residues pruned to eliminate duplicates Z: 21 36.508 2.302 0.808 0.776 0.950 0.700 CA 1.618 21 residues pruned to eliminate duplicates Z: 20 48.109 2.436 1.022 0.845 0.947 0.737 CB 1.758 20 residues pruned to eliminate duplicates Z: 20 44.878 2.422 0.889 0.839 0.947 0.737 CB 1.774 20 residues pruned to eliminate duplicates Z: 35 56.537 2.392 1.008 0.721 0.971 0.647 CB 1.703 35 residues pruned to eliminate duplicates Z: 22 38.792 2.284 0.958 0.783 0.905 0.762 CB 1.631 22 residues pruned to eliminate duplicates Z: 20 53.246 2.428 1.093 0.870 1.000 0.789 CA 1.755 20 residues pruned to eliminate duplicates Z: 19 58.566 2.488 1.218 0.895 1.000 0.778 CB 1.794 19 residues pruned to eliminate duplicates Z: 36 44.892 2.365 0.876 0.632 0.914 0.629 CB 1.653 36 residues pruned to eliminate duplicates Z: 20 44.823 2.375 1.176 0.817 0.895 0.632 CB 1.688 20 residues pruned to eliminate duplicates Z: 40 43.322 2.258 0.950 0.621 0.897 0.641 CB 1.566 40 residues pruned to eliminate duplicates Z: 22 47.875 2.282 1.160 0.824 0.952 0.667 CB 1.681 22 residues pruned to eliminate duplicates Z: 32 51.699 2.402 0.945 0.668 0.935 0.516 CB 1.819 32 residues pruned to eliminate duplicates Z: 47 48.550 2.203 1.041 0.634 0.913 0.739 CB 1.538 56 residues pruned to eliminate duplicates Z: 35 43.763 2.292 0.856 0.681 0.941 0.647 CB 1.588 35 residues pruned to eliminate duplicates Z: 12 25.338 2.354 0.978 0.537 0.909 0.545 CB 1.740 12 residues pruned to eliminate duplicates Z: 43 42.932 2.221 1.062 0.591 0.881 0.524 CB 1.505 43 residues pruned to eliminate duplicates Z: 14 34.678 2.317 1.121 0.639 1.000 0.692 CA 1.719 14 residues pruned to eliminate duplicates Z: 20 24.287 2.211 1.087 0.481 0.842 0.579 CB 1.462 20 residues pruned to eliminate duplicates Z: 17 24.484 2.156 1.174 0.524 0.812 0.625 CB 1.570 17 residues pruned to eliminate duplicates Z: 14 31.649 2.299 1.049 0.578 0.923 0.538 CA 1.873 14 residues pruned to eliminate duplicates Z: 17 23.754 2.242 0.871 0.511 0.938 0.625 CB 1.493 17 residues pruned to eliminate duplicates Z: 21 27.876 2.189 1.211 0.597 0.850 0.700 CB 1.381 21 residues pruned to eliminate duplicates Z: 17 23.775 2.111 1.022 0.554 0.875 0.500 CB 1.510 17 residues pruned to eliminate duplicates Z: 17 27.108 2.303 1.171 0.562 0.938 0.562 CB 1.361 17 residues pruned to eliminate duplicates Z: 21 35.791 2.225 0.903 0.677 1.000 0.750 CB 1.606 21 residues pruned to eliminate duplicates Z: 47 49.988 2.285 1.125 0.616 0.891 0.587 CB 1.526 47 residues pruned to eliminate duplicates Z: 26 29.099 2.111 1.163 0.506 0.840 0.480 CB 1.508 26 residues pruned to eliminate duplicates Z: 46 54.180 2.274 1.097 0.634 0.933 0.578 CB 1.600 46 residues pruned to eliminate duplicates Z: 11 14.384 1.798 0.907 0.560 0.900 0.600 C 1.390 11 residues pruned to eliminate duplicates Z: 13 17.118 2.066 0.931 0.586 0.917 0.583 CB 1.244 13 residues pruned to eliminate duplicates Z: 19 24.634 2.011 1.046 0.645 0.944 0.833 CB 1.305 19 residues pruned to eliminate duplicates Z: 107 70.309 2.381 0.893 0.557 0.915 0.547 CB 1.567 107 residues pruned to eliminate duplicates Z: 90 75.105 2.473 1.028 0.595 0.888 0.562 CB 1.633 90 residues pruned to eliminate duplicates Z: 112 73.751 2.372 0.970 0.564 0.874 0.595 CB 1.611 112 residues pruned to eliminate duplicates Z: 58 69.571 2.503 1.213 0.583 0.912 0.649 CB 1.685 58 residues pruned to eliminate duplicates Z: 58 61.458 2.469 1.120 0.590 0.877 0.649 CB 1.626 58 residues pruned to eliminate duplicates Z: 47 62.991 2.548 1.133 0.618 0.913 0.630 CB 1.674 47 residues pruned to eliminate duplicates Z: 16 29.473 2.404 1.302 0.486 0.867 0.533 CB 1.609 16 residues pruned to eliminate duplicates Z: 101 71.602 2.415 0.953 0.552 0.890 0.630 CB 1.622 101 residues pruned to eliminate duplicates Z: 65 76.421 2.624 1.148 0.563 0.891 0.562 CB 1.790 65 residues pruned to eliminate duplicates Z: 22 45.524 2.495 1.459 0.610 0.857 0.667 CB 1.702 22 residues pruned to eliminate duplicates Z: 110 71.018 2.389 0.990 0.555 0.835 0.569 CB 1.625 119 residues pruned to eliminate duplicates Z: 42 65.656 2.468 1.349 0.677 0.927 0.488 CB 1.622 42 residues pruned to eliminate duplicates Z: 88 77.757 2.463 1.041 0.601 0.874 0.517 CB 1.723 88 residues pruned to eliminate duplicates Z: 85 78.401 2.498 1.012 0.609 0.905 0.679 CB 1.696 85 residues pruned to eliminate duplicates Z: 99 76.728 2.444 1.001 0.555 0.898 0.551 CB 1.673 99 residues pruned to eliminate duplicates Z: 86 74.215 2.498 0.963 0.581 0.894 0.541 CB 1.698 86 residues pruned to eliminate duplicates Z: 90 76.618 2.467 1.052 0.574 0.899 0.539 CB 1.661 90 residues pruned to eliminate duplicates Z: 104 77.282 2.418 0.974 0.568 0.903 0.553 CB 1.654 104 residues pruned to eliminate duplicates Z: 86 79.264 2.499 1.029 0.598 0.906 0.576 CB 1.704 86 residues pruned to eliminate duplicates Z: 126 76.228 2.340 0.872 0.562 0.896 0.600 CB 1.636 126 residues pruned to eliminate duplicates Z: 47 58.603 2.450 1.163 0.557 0.935 0.630 CB 1.650 47 residues pruned to eliminate duplicates Z: 142 73.531 2.294 0.851 0.531 0.908 0.596 CB 1.558 142 residues pruned to eliminate duplicates Z: 99 79.890 2.439 0.995 0.559 0.908 0.582 CB 1.725 99 residues pruned to eliminate duplicates Z: 51 61.735 2.441 1.114 0.564 0.900 0.600 CB 1.766 51 residues pruned to eliminate duplicates Z: 83 75.564 2.504 0.979 0.605 0.878 0.537 CB 1.736 83 residues pruned to eliminate duplicates Z: 101 72.030 2.395 0.896 0.547 0.930 0.560 CB 1.630 101 residues pruned to eliminate duplicates Z: 85 85.570 2.507 1.098 0.598 0.940 0.643 CB 1.719 85 residues pruned to eliminate duplicates Z: 138 83.957 2.351 0.907 0.575 0.920 0.613 CB 1.618 138 residues pruned to eliminate duplicates Z: 98 72.012 2.408 0.956 0.556 0.907 0.505 CB 1.620 98 residues pruned to eliminate duplicates Z: 87 73.748 2.472 1.038 0.570 0.872 0.605 CB 1.691 87 residues pruned to eliminate duplicates Z: 90 72.983 2.458 1.022 0.560 0.888 0.674 CB 1.656 90 residues pruned to eliminate duplicates Z: 90 84.012 2.496 1.090 0.603 0.933 0.663 CB 1.660 90 residues pruned to eliminate duplicates Z: 53 60.915 2.447 0.963 0.579 0.942 0.673 CB 1.730 53 residues pruned to eliminate duplicates Z: 84 84.407 2.517 1.051 0.607 0.940 0.687 CB 1.725 84 residues pruned to eliminate duplicates Z: 68 73.528 2.575 1.187 0.560 0.910 0.642 CB 1.653 68 residues pruned to eliminate duplicates Z: 86 70.136 2.394 0.891 0.580 0.929 0.565 CB 1.674 86 residues pruned to eliminate duplicates Z: 86 78.490 2.508 0.961 0.599 0.918 0.612 CB 1.717 86 residues pruned to eliminate duplicates Z: 214 91.054 2.316 0.830 0.506 0.915 0.596 CB 1.598 214 residues pruned to eliminate duplicates Z: 103 78.075 2.406 0.994 0.572 0.931 0.618 CB 1.614 103 residues pruned to eliminate duplicates Z: 61 63.133 2.520 1.109 0.548 0.900 0.583 CB 1.626 61 residues pruned to eliminate duplicates Z: 72 69.253 2.547 1.081 0.539 0.873 0.606 CB 1.710 72 residues pruned to eliminate duplicates Z: 84 73.251 2.493 0.947 0.594 0.892 0.627 CB 1.698 84 residues pruned to eliminate duplicates Z: 94 79.904 2.455 1.081 0.574 0.892 0.613 CB 1.691 94 residues pruned to eliminate duplicates Z: 85 82.192 2.515 1.009 0.619 0.940 0.631 CB 1.686 85 residues pruned to eliminate duplicates Z: 122 79.459 2.372 0.880 0.560 0.934 0.620 CB 1.636 122 residues pruned to eliminate duplicates Z: 66 72.479 2.570 1.168 0.553 0.908 0.615 CB 1.688 66 residues pruned to eliminate duplicates Z: 86 81.425 2.512 1.154 0.585 0.882 0.624 CB 1.706 86 residues pruned to eliminate duplicates Z: 74 63.000 2.416 1.105 0.549 0.863 0.699 CB 1.601 74 residues pruned to eliminate duplicates Z: 85 83.516 2.507 1.100 0.589 0.917 0.583 CB 1.733 85 residues pruned to eliminate duplicates Z: 82 73.036 2.483 1.052 0.556 0.889 0.593 CB 1.697 82 residues pruned to eliminate duplicates Z: 125 78.777 2.372 0.858 0.530 0.919 0.653 CB 1.695 125 residues pruned to eliminate duplicates Z: 141 81.605 2.353 0.940 0.545 0.914 0.571 CB 1.582 141 residues pruned to eliminate duplicates Z: 70 67.172 2.478 0.883 0.623 0.899 0.609 CB 1.718 70 residues pruned to eliminate duplicates Z: 104 74.521 2.400 0.917 0.573 0.942 0.621 CB 1.579 104 residues pruned to eliminate duplicates Z: 65 72.992 2.592 1.127 0.531 0.906 0.656 CB 1.771 65 residues pruned to eliminate duplicates Z: 78 63.991 2.443 1.023 0.547 0.883 0.636 CB 1.597 78 residues pruned to eliminate duplicates Z: 84 81.188 2.531 1.045 0.606 0.904 0.651 CB 1.723 84 residues pruned to eliminate duplicates Z: 52 53.185 2.483 0.753 0.554 0.902 0.647 CB 1.800 52 residues pruned to eliminate duplicates Z: 102 72.517 2.394 0.986 0.546 0.891 0.584 CB 1.627 102 residues pruned to eliminate duplicates Z: 101 78.897 2.411 1.015 0.564 0.930 0.590 CB 1.641 101 residues pruned to eliminate duplicates Z: 95 77.137 2.449 0.999 0.581 0.915 0.670 CB 1.643 95 residues pruned to eliminate duplicates Z: 72 70.055 2.480 0.869 0.616 0.930 0.690 CB 1.729 72 residues pruned to eliminate duplicates Z: 105 68.283 2.375 0.884 0.533 0.894 0.567 CB 1.620 105 residues pruned to eliminate duplicates Z: 73 47.408 2.196 0.755 0.528 0.889 0.472 CB 1.586 73 residues pruned to eliminate duplicates Z: 33 37.824 2.397 0.732 0.613 0.875 0.625 CB 1.654 33 residues pruned to eliminate duplicates Z: 35 36.703 2.375 0.808 0.568 0.853 0.529 CB 1.610 35 residues pruned to eliminate duplicates Z: 85 82.953 2.523 1.040 0.608 0.929 0.607 CB 1.709 85 residues pruned to eliminate duplicates Z: 133 77.405 2.335 0.871 0.543 0.917 0.621 CB 1.613 133 residues pruned to eliminate duplicates Z: 80 39.675 2.126 0.612 0.495 0.861 0.532 CB 1.521 80 residues pruned to eliminate duplicates Z: 160 70.742 2.256 0.769 0.457 0.906 0.572 CB 1.621 160 residues pruned to eliminate duplicates Z: 48 42.413 2.244 0.762 0.516 0.936 0.617 CB 1.645 48 residues pruned to eliminate duplicates Z: 91 82.171 2.477 1.082 0.599 0.933 0.756 CB 1.638 91 residues pruned to eliminate duplicates Z: 100 76.585 2.430 0.970 0.570 0.919 0.626 CB 1.634 100 residues pruned to eliminate duplicates Z: 40 33.314 2.256 0.568 0.518 0.923 0.487 CB 1.605 40 residues pruned to eliminate duplicates Z: 125 78.103 2.333 0.958 0.541 0.911 0.637 CB 1.619 125 residues pruned to eliminate duplicates Z: 33 45.144 2.361 0.852 0.615 0.969 0.594 CB 1.690 33 residues pruned to eliminate duplicates Z: 50 41.666 2.275 0.758 0.532 0.939 0.551 CB 1.537 50 residues pruned to eliminate duplicates Z: 86 75.518 2.478 1.020 0.578 0.906 0.576 CB 1.676 86 residues pruned to eliminate duplicates Z: 90 81.289 2.493 1.110 0.594 0.910 0.652 CB 1.645 90 residues pruned to eliminate duplicates Z: 98 82.055 2.440 1.034 0.580 0.948 0.639 CB 1.639 98 residues pruned to eliminate duplicates Z: 105 80.589 2.415 0.998 0.568 0.952 0.673 CB 1.611 105 residues pruned to eliminate duplicates Z: 61 46.734 2.280 0.795 0.534 0.917 0.533 CB 1.556 61 residues pruned to eliminate duplicates Z: 87 80.346 2.476 1.023 0.596 0.942 0.640 CB 1.676 87 residues pruned to eliminate duplicates Z: 41 38.488 2.259 0.887 0.529 0.900 0.600 CB 1.541 41 residues pruned to eliminate duplicates Z: 112 77.178 2.387 1.082 0.523 0.919 0.640 CB 1.568 112 residues pruned to eliminate duplicates Z: 84 72.570 2.389 0.902 0.580 0.964 0.699 CB 1.684 84 residues pruned to eliminate duplicates Z: 100 62.164 2.326 0.779 0.474 0.929 0.545 CB 1.667 100 residues pruned to eliminate duplicates Z: 60 47.163 2.276 0.727 0.499 0.915 0.576 CB 1.709 60 residues pruned to eliminate duplicates Z: 106 84.363 2.425 1.050 0.592 0.952 0.629 CB 1.592 106 residues pruned to eliminate duplicates Z: 113 78.266 2.379 0.949 0.583 0.938 0.616 CB 1.571 113 residues pruned to eliminate duplicates Z: 80 58.711 2.340 0.846 0.543 0.937 0.532 CB 1.565 80 residues pruned to eliminate duplicates Z: 18 12.697 1.875 0.677 0.322 0.882 0.353 CB 1.350 18 residues pruned to eliminate duplicates Z: 53 38.012 2.241 0.740 0.458 0.885 0.442 CB 1.595 53 residues pruned to eliminate duplicates Z: 14 11.239 1.810 0.688 0.444 0.923 0.615 CB 1.171 14 residues pruned to eliminate duplicates Z: 53 40.063 2.208 0.737 0.504 0.942 0.577 CB 1.531 53 residues pruned to eliminate duplicates Z: 47 42.376 2.224 0.767 0.545 0.978 0.652 CB 1.555 47 residues pruned to eliminate duplicates Z: 114 74.987 2.368 0.934 0.567 0.938 0.619 CB 1.539 114 residues pruned to eliminate duplicates Z: 15 12.389 1.918 0.715 0.370 0.929 0.500 CB 1.246 15 residues pruned to eliminate duplicates Z: 249 105.301 2.338 0.937 0.493 0.923 0.581 CB 1.610 249 residues pruned to eliminate duplicates Z: 72 46.763 2.204 0.636 0.546 0.930 0.718 CB 1.582 72 residues pruned to eliminate duplicates Z: 157 71.496 2.248 0.776 0.465 0.923 0.583 CB 1.609 167 residues pruned to eliminate duplicates Z: 111 78.652 2.398 1.006 0.523 0.918 0.627 CB 1.659 111 residues pruned to eliminate duplicates Z: 27 21.405 2.051 0.532 0.507 0.885 0.577 CB 1.498 27 residues pruned to eliminate duplicates Z: 30 31.025 2.108 0.639 0.639 1.000 0.690 CB 1.464 30 residues pruned to eliminate duplicates Z: 116 59.705 2.219 0.742 0.478 0.930 0.617 CB 1.584 116 residues pruned to eliminate duplicates Z: 39 24.377 1.974 0.443 0.549 0.947 0.605 CB 1.397 39 residues pruned to eliminate duplicates Z: 54 36.975 2.108 0.690 0.550 0.887 0.642 CB 1.531 54 residues pruned to eliminate duplicates Z: 120 57.068 2.210 0.675 0.472 0.933 0.571 CB 1.559 120 residues pruned to eliminate duplicates Z: 117 55.722 2.231 0.721 0.442 0.897 0.586 CB 1.596 117 residues pruned to eliminate duplicates Z: 117 57.912 2.247 0.710 0.475 0.905 0.612 CB 1.586 117 residues pruned to eliminate duplicates Z: 126 63.074 2.230 0.760 0.455 0.952 0.576 CB 1.580 126 residues pruned to eliminate duplicates Z: 32 23.047 1.962 0.600 0.566 0.903 0.613 CB 1.368 32 residues pruned to eliminate duplicates Z: 19 19.198 1.964 0.433 0.653 1.000 0.833 CB 1.395 19 residues pruned to eliminate duplicates Z: 40 26.026 1.932 0.587 0.563 0.923 0.667 CB 1.385 40 residues pruned to eliminate duplicates Z: 132 66.928 2.273 0.790 0.473 0.931 0.595 CB 1.585 132 residues pruned to eliminate duplicates Z: 39 25.713 1.951 0.654 0.585 0.921 0.711 CB 1.294 39 residues pruned to eliminate duplicates Z: 31 25.398 1.997 0.569 0.611 0.967 0.667 CB 1.378 31 residues pruned to eliminate duplicates Z: 29 16.472 1.876 0.472 0.579 0.893 0.536 CB 1.171 29 residues pruned to eliminate duplicates Z: 29 32.064 2.081 0.822 0.612 0.964 0.821 CB 1.491 29 residues pruned to eliminate duplicates Z: 31 31.468 2.071 0.763 0.636 0.967 0.833 CB 1.433 31 residues pruned to eliminate duplicates Z: 114 63.686 2.245 0.743 0.481 0.965 0.611 CB 1.618 114 residues pruned to eliminate duplicates Z: 118 60.395 2.231 0.784 0.464 0.932 0.581 CB 1.563 118 residues pruned to eliminate duplicates Z: 35 26.132 1.981 0.637 0.556 0.941 0.706 CB 1.390 35 residues pruned to eliminate duplicates Z: 19 16.887 1.906 0.526 0.635 0.944 0.722 CB 1.276 19 residues pruned to eliminate duplicates Z: 120 60.820 2.210 0.778 0.466 0.941 0.613 CB 1.560 120 residues pruned to eliminate duplicates Z: 115 63.259 2.234 0.814 0.462 0.947 0.623 CB 1.605 115 residues pruned to eliminate duplicates Z: 116 62.048 2.238 0.765 0.469 0.965 0.626 CB 1.566 116 residues pruned to eliminate duplicates Z: 171 70.769 2.225 0.805 0.446 0.912 0.565 CB 1.566 171 residues pruned to eliminate duplicates Z: 116 62.377 2.242 0.819 0.458 0.939 0.609 CB 1.586 116 residues pruned to eliminate duplicates Z: 38 26.074 1.992 0.702 0.550 0.865 0.649 CB 1.392 38 residues pruned to eliminate duplicates Z: 147 68.368 2.280 0.883 0.482 0.870 0.623 CB 1.543 147 residues pruned to eliminate duplicates Z: 7 5.229 1.606 0.335 0.438 0.833 0.333 CB 1.274 7 residues pruned to eliminate duplicates Z: 65 45.171 2.234 0.712 0.486 0.906 0.562 CB 1.653 65 residues pruned to eliminate duplicates Z: 117 58.374 2.237 0.792 0.462 0.897 0.595 CB 1.567 117 residues pruned to eliminate duplicates Z: 87 54.361 2.326 0.781 0.438 0.930 0.616 CB 1.621 87 residues pruned to eliminate duplicates Z: 120 57.894 2.229 0.732 0.463 0.908 0.571 CB 1.573 120 residues pruned to eliminate duplicates Z: 85 57.094 2.319 0.851 0.445 0.940 0.548 CB 1.632 85 residues pruned to eliminate duplicates Z: 87 54.093 2.289 0.845 0.438 0.919 0.581 CB 1.604 87 residues pruned to eliminate duplicates Z: 88 49.281 2.274 0.797 0.421 0.908 0.529 CB 1.545 88 residues pruned to eliminate duplicates Z: 162 76.710 2.261 0.871 0.477 0.932 0.571 CB 1.571 162 residues pruned to eliminate duplicates Z: 114 59.417 2.245 0.770 0.479 0.912 0.584 CB 1.577 114 residues pruned to eliminate duplicates Z: 50 29.349 1.947 0.710 0.523 0.959 0.633 CB 1.284 50 residues pruned to eliminate duplicates Z: 120 68.329 2.341 0.917 0.436 0.899 0.513 CB 1.660 120 residues pruned to eliminate duplicates Z: 98 46.477 2.152 0.730 0.478 0.876 0.536 CB 1.479 98 residues pruned to eliminate duplicates Z: 93 56.232 2.315 0.811 0.422 0.946 0.533 CB 1.603 93 residues pruned to eliminate duplicates Z: 78 58.598 2.382 0.843 0.437 0.935 0.597 CB 1.736 78 residues pruned to eliminate duplicates Z: 172 74.197 2.227 0.851 0.454 0.930 0.585 CB 1.552 172 residues pruned to eliminate duplicates Z: 78 59.163 2.384 0.856 0.439 0.935 0.584 CB 1.735 78 residues pruned to eliminate duplicates Z: 82 57.089 2.324 0.881 0.442 0.926 0.543 CB 1.664 82 residues pruned to eliminate duplicates Z: 121 62.334 2.236 0.803 0.455 0.942 0.592 CB 1.571 121 residues pruned to eliminate duplicates Z: 67 44.453 2.182 0.787 0.486 0.939 0.561 CB 1.515 67 residues pruned to eliminate duplicates Z: 79 57.846 2.388 0.894 0.431 0.923 0.538 CB 1.685 79 residues pruned to eliminate duplicates Z: 118 59.785 2.178 0.880 0.470 0.915 0.590 CB 1.523 118 residues pruned to eliminate duplicates Z: 93 62.936 2.317 0.952 0.434 0.946 0.587 CB 1.642 93 residues pruned to eliminate duplicates Z: 79 59.788 2.378 0.858 0.429 0.949 0.590 CB 1.739 79 residues pruned to eliminate duplicates Z: 116 61.936 2.245 0.811 0.470 0.913 0.591 CB 1.605 116 residues pruned to eliminate duplicates Z: 85 57.571 2.339 0.849 0.417 0.952 0.595 CB 1.663 85 residues pruned to eliminate duplicates Z: 88 51.020 2.276 0.771 0.414 0.931 0.609 CB 1.594 88 residues pruned to eliminate duplicates Z: 81 60.199 2.367 0.891 0.425 0.975 0.575 CB 1.667 81 residues pruned to eliminate duplicates Z: 76 59.924 2.391 0.926 0.461 0.920 0.627 CB 1.700 76 residues pruned to eliminate duplicates Z: 80 59.732 2.371 0.846 0.433 0.937 0.532 CB 1.757 80 residues pruned to eliminate duplicates Z: 105 59.411 2.256 0.800 0.460 0.923 0.606 CB 1.618 105 residues pruned to eliminate duplicates Z: 72 59.007 2.416 0.867 0.417 0.958 0.634 CB 1.769 72 residues pruned to eliminate duplicates Z: 123 67.084 2.332 0.914 0.408 0.910 0.607 CB 1.648 123 residues pruned to eliminate duplicates Z: 77 61.622 2.408 0.868 0.442 0.961 0.592 CB 1.737 77 residues pruned to eliminate duplicates Z: 116 66.216 2.248 0.856 0.464 0.957 0.617 CB 1.605 116 residues pruned to eliminate duplicates Z: 61 47.115 2.392 1.009 0.326 0.883 0.567 CB 1.736 61 residues pruned to eliminate duplicates Z: 111 61.361 2.259 0.806 0.460 0.927 0.600 CB 1.611 111 residues pruned to eliminate duplicates Z: 115 62.238 2.257 0.792 0.454 0.939 0.640 CB 1.609 115 residues pruned to eliminate duplicates Z: 101 50.510 2.173 0.716 0.473 0.910 0.590 CB 1.530 101 residues pruned to eliminate duplicates Z: 73 59.861 2.419 0.919 0.419 0.944 0.514 CB 1.751 73 residues pruned to eliminate duplicates Z: 122 64.806 2.273 0.818 0.452 0.917 0.661 CB 1.633 122 residues pruned to eliminate duplicates Z: 134 72.829 2.324 0.985 0.427 0.910 0.632 CB 1.623 134 residues pruned to eliminate duplicates Z: 116 61.834 2.239 0.787 0.454 0.930 0.626 CB 1.624 116 residues pruned to eliminate duplicates Z: 70 58.909 2.394 0.896 0.446 0.928 0.609 CB 1.780 70 residues pruned to eliminate duplicates Z: 87 54.421 2.282 0.819 0.426 0.930 0.535 CB 1.642 87 residues pruned to eliminate duplicates Z: 39 44.311 2.456 1.117 0.340 0.921 0.605 CB 1.786 39 residues pruned to eliminate duplicates Z: 86 56.218 2.308 0.840 0.431 0.941 0.576 CB 1.638 86 residues pruned to eliminate duplicates Z: 126 67.984 2.288 0.900 0.443 0.936 0.528 CB 1.585 126 residues pruned to eliminate duplicates Z: 134 72.545 2.303 0.924 0.425 0.932 0.579 CB 1.645 134 residues pruned to eliminate duplicates Z: 120 59.941 2.214 0.800 0.442 0.908 0.563 CB 1.613 120 residues pruned to eliminate duplicates Z: 54 46.748 2.486 1.060 0.296 0.887 0.566 CB 1.777 54 residues pruned to eliminate duplicates Z: 121 61.557 2.222 0.817 0.461 0.917 0.600 CB 1.580 121 residues pruned to eliminate duplicates Z: 112 61.412 2.207 0.812 0.524 0.910 0.586 CB 1.565 112 residues pruned to eliminate duplicates Z: 120 57.239 2.197 0.770 0.444 0.916 0.597 CB 1.560 120 residues pruned to eliminate duplicates Z: 93 55.938 2.323 0.871 0.407 0.891 0.587 CB 1.660 93 residues pruned to eliminate duplicates Z: 110 71.410 2.373 0.964 0.422 0.927 0.541 CB 1.719 110 residues pruned to eliminate duplicates Z: 129 68.239 2.266 0.940 0.442 0.922 0.570 CB 1.580 129 residues pruned to eliminate duplicates Z: 29 34.529 2.560 1.209 0.282 0.893 0.643 CB 1.653 29 residues pruned to eliminate duplicates Z: 79 55.752 2.372 0.829 0.425 0.923 0.590 CB 1.704 79 residues pruned to eliminate duplicates Z: 77 50.545 2.272 0.842 0.438 0.921 0.539 CB 1.603 77 residues pruned to eliminate duplicates Z: 123 65.104 2.248 0.828 0.466 0.918 0.697 CB 1.617 123 residues pruned to eliminate duplicates Z: 133 71.517 2.329 0.871 0.437 0.932 0.636 CB 1.636 133 residues pruned to eliminate duplicates Z: 79 60.549 2.362 0.909 0.448 0.936 0.577 CB 1.713 79 residues pruned to eliminate duplicates Z: 116 59.761 2.250 0.711 0.473 0.930 0.643 CB 1.599 116 residues pruned to eliminate duplicates Z: 171 74.422 2.236 0.865 0.453 0.929 0.624 CB 1.546 171 residues pruned to eliminate duplicates Z: 22 24.867 2.413 0.979 0.256 0.905 0.714 CB 1.661 22 residues pruned to eliminate duplicates Z: 68 48.884 2.352 0.963 0.340 0.896 0.552 CB 1.720 68 residues pruned to eliminate duplicates Z: 135 69.174 2.287 0.924 0.424 0.918 0.575 CB 1.601 135 residues pruned to eliminate duplicates Z: 86 62.423 2.374 0.863 0.436 0.953 0.635 CB 1.716 86 residues pruned to eliminate duplicates Z: 85 57.031 2.330 0.883 0.430 0.917 0.607 CB 1.663 85 residues pruned to eliminate duplicates Z: 84 55.787 2.307 0.868 0.419 0.940 0.639 CB 1.645 84 residues pruned to eliminate duplicates Z: 117 63.059 2.248 0.803 0.473 0.940 0.586 CB 1.579 117 residues pruned to eliminate duplicates Z: 20 28.553 2.648 1.070 0.258 0.842 0.579 CB 1.873 20 residues pruned to eliminate duplicates Z: 65 47.760 2.363 1.003 0.313 0.906 0.562 CB 1.713 65 residues pruned to eliminate duplicates Z: 173 75.713 2.231 0.897 0.445 0.936 0.605 CB 1.542 173 residues pruned to eliminate duplicates Z: 34 36.210 2.444 1.076 0.243 0.909 0.545 CB 1.840 34 residues pruned to eliminate duplicates Z: 118 60.809 2.236 0.765 0.453 0.940 0.641 CB 1.589 118 residues pruned to eliminate duplicates Z: 79 57.784 2.370 0.901 0.411 0.936 0.590 CB 1.703 79 residues pruned to eliminate duplicates Z: 173 70.279 2.197 0.882 0.443 0.901 0.616 CB 1.526 173 residues pruned to eliminate duplicates Z: 77 49.229 2.278 1.011 0.378 0.921 0.566 CB 1.525 77 residues pruned to eliminate duplicates Z: 86 61.753 2.365 0.980 0.426 0.929 0.576 CB 1.661 86 residues pruned to eliminate duplicates Z: 140 67.869 2.289 0.905 0.413 0.899 0.561 CB 1.607 140 residues pruned to eliminate duplicates Z: 115 57.713 2.230 0.836 0.431 0.912 0.605 CB 1.555 115 residues pruned to eliminate duplicates Z: 86 64.445 2.396 0.992 0.402 0.929 0.588 CB 1.747 86 residues pruned to eliminate duplicates Z: 64 41.220 2.237 0.930 0.404 0.873 0.524 CB 1.524 64 residues pruned to eliminate duplicates Z: 61 42.529 2.376 0.963 0.267 0.917 0.533 CB 1.674 61 residues pruned to eliminate duplicates Z: 62 41.669 2.416 0.956 0.313 0.869 0.557 CB 1.598 62 residues pruned to eliminate duplicates Z: 171 70.822 2.231 0.865 0.435 0.894 0.629 CB 1.561 171 residues pruned to eliminate duplicates Z: 52 33.923 2.140 0.882 0.441 0.882 0.608 CB 1.421 52 residues pruned to eliminate duplicates Z: 18 29.881 2.349 0.997 0.474 0.882 0.529 CA 1.797 18 residues pruned to eliminate duplicates Z: 61 47.080 2.174 1.083 0.428 0.950 0.517 CB 1.523 61 residues pruned to eliminate duplicates Z: 52 33.380 2.149 0.960 0.433 0.843 0.529 CB 1.410 52 residues pruned to eliminate duplicates Z: 51 42.108 2.176 1.073 0.453 0.940 0.560 CB 1.474 51 residues pruned to eliminate duplicates Z: 127 68.457 2.303 0.933 0.436 0.905 0.603 CB 1.617 127 residues pruned to eliminate duplicates Z: 51 39.275 2.175 0.998 0.458 0.900 0.640 CB 1.482 51 residues pruned to eliminate duplicates Z: 40 46.006 2.304 1.140 0.510 0.949 0.564 CB 1.560 40 residues pruned to eliminate duplicates Z: 41 44.356 2.288 1.075 0.486 0.950 0.575 CB 1.577 41 residues pruned to eliminate duplicates Z: 51 40.042 2.158 1.066 0.446 0.920 0.560 CB 1.459 51 residues pruned to eliminate duplicates Z: 55 42.667 2.183 1.006 0.454 0.944 0.556 CB 1.472 55 residues pruned to eliminate duplicates Z: 51 41.394 2.182 1.038 0.451 0.920 0.580 CB 1.505 51 residues pruned to eliminate duplicates Z: 64 34.533 2.080 0.877 0.388 0.921 0.492 CB 1.363 64 residues pruned to eliminate duplicates Z: 52 48.244 2.359 1.001 0.428 0.902 0.529 CB 1.709 52 residues pruned to eliminate duplicates Z: 26 24.256 2.249 0.988 0.296 0.840 0.440 CB 1.622 26 residues pruned to eliminate duplicates Z: 44 38.401 2.218 0.939 0.482 0.907 0.558 CB 1.529 44 residues pruned to eliminate duplicates Z: 41 43.443 2.279 1.020 0.507 0.950 0.575 CB 1.560 41 residues pruned to eliminate duplicates Z: 52 43.584 2.181 1.090 0.445 0.961 0.588 CB 1.475 52 residues pruned to eliminate duplicates Z: 54 37.602 2.194 1.070 0.426 0.887 0.547 CB 1.385 54 residues pruned to eliminate duplicates Z: 32 47.772 2.451 1.252 0.447 0.935 0.613 CB 1.755 32 residues pruned to eliminate duplicates Z: 33 40.816 2.374 1.100 0.427 0.906 0.656 CB 1.723 33 residues pruned to eliminate duplicates Z: 49 42.246 2.210 1.046 0.464 0.958 0.625 CB 1.460 49 residues pruned to eliminate duplicates Z: 54 39.460 2.196 1.012 0.430 0.925 0.566 CB 1.427 54 residues pruned to eliminate duplicates Z: 52 39.656 2.159 1.029 0.435 0.961 0.569 CB 1.412 52 residues pruned to eliminate duplicates Z: 121 68.643 2.304 0.935 0.433 0.933 0.550 CB 1.613 121 residues pruned to eliminate duplicates Z: 126 68.000 2.324 0.955 0.433 0.904 0.560 CB 1.588 126 residues pruned to eliminate duplicates Z: 132 72.992 2.308 0.966 0.433 0.939 0.595 CB 1.604 132 residues pruned to eliminate duplicates Z: 68 44.913 2.197 0.940 0.416 0.940 0.612 CB 1.496 68 residues pruned to eliminate duplicates Z: 50 42.500 2.201 0.996 0.461 0.980 0.551 CB 1.469 50 residues pruned to eliminate duplicates Z: 50 41.838 2.189 0.970 0.490 0.959 0.673 CB 1.460 50 residues pruned to eliminate duplicates Z: 52 41.921 2.158 1.137 0.443 0.902 0.588 CB 1.497 52 residues pruned to eliminate duplicates Z: 52 39.716 2.126 1.050 0.452 0.941 0.608 CB 1.424 52 residues pruned to eliminate duplicates Z: 197 85.255 2.254 0.943 0.482 0.903 0.571 CB 1.568 197 residues pruned to eliminate duplicates Z: 53 36.362 2.122 1.023 0.432 0.923 0.558 CB 1.365 53 residues pruned to eliminate duplicates Z: 51 38.976 2.161 0.986 0.457 0.960 0.580 CB 1.399 51 residues pruned to eliminate duplicates Z: 55 36.791 2.087 1.042 0.407 0.907 0.556 CB 1.428 55 residues pruned to eliminate duplicates Z: 59 35.024 2.065 0.985 0.406 0.914 0.552 CB 1.355 59 residues pruned to eliminate duplicates Z: 56 35.699 2.142 0.923 0.422 0.909 0.564 CB 1.394 56 residues pruned to eliminate duplicates Z: 53 39.053 2.120 1.007 0.435 0.962 0.654 CB 1.415 53 residues pruned to eliminate duplicates Z: 52 37.886 2.150 0.992 0.447 0.922 0.647 CB 1.419 52 residues pruned to eliminate duplicates Z: 51 41.858 2.173 1.069 0.449 0.960 0.680 CB 1.446 51 residues pruned to eliminate duplicates Z: 172 74.340 2.236 0.861 0.453 0.947 0.614 CB 1.513 172 residues pruned to eliminate duplicates Z: 141 69.777 2.278 0.925 0.410 0.921 0.586 CB 1.604 141 residues pruned to eliminate duplicates Z: 50 44.867 2.194 1.061 0.472 0.980 0.714 CB 1.489 50 residues pruned to eliminate duplicates Z: 55 38.803 2.189 1.036 0.425 0.907 0.648 CB 1.413 55 residues pruned to eliminate duplicates Z: 50 37.207 2.180 0.935 0.430 0.898 0.633 CB 1.508 50 residues pruned to eliminate duplicates Z: 52 39.542 2.161 1.031 0.447 0.922 0.608 CB 1.446 52 residues pruned to eliminate duplicates Z: 70 48.434 2.198 1.116 0.419 0.928 0.623 CB 1.471 70 residues pruned to eliminate duplicates Z: 9 23.520 2.215 0.701 0.750 1.000 0.625 CA 1.766 9 residues pruned to eliminate duplicates 337 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 315 D: 7 CC for partial structure against native data = 36.44 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.698, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 0.827, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.848, Connect. = 0.803 for dens.mod. cycle 4 = 0.300, Contrast = 0.866, Connect. = 0.806 for dens.mod. cycle 5 = 0.300, Contrast = 0.875, Connect. = 0.808 for dens.mod. cycle 6 = 0.300, Contrast = 0.883, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.886, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.889, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.891, Connect. = 0.813 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2641 peaks > 0.5 sigma used to seed fragment search Space for about 666 unique residues taking solvent into account 565 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 23.497 2.586 0.917 0.283 0.800 0.680 CB 1.513 B: 41 49.170 2.233 1.041 0.606 0.925 0.600 CB 1.667 C: 23 21.955 2.490 0.775 0.232 0.818 0.545 CB 1.768 20 residues pruned to eliminate duplicates D: 123 62.728 2.311 0.810 0.440 0.902 0.557 CB 1.603 29 residues pruned to eliminate duplicates E: 19 50.464 2.361 0.948 0.945 1.000 0.667 CB 1.790 19 residues pruned to eliminate duplicates F: 78 58.590 2.409 0.854 0.430 0.909 0.675 CB 1.768 78 residues pruned to eliminate duplicates G: 38 49.778 2.353 1.060 0.652 0.892 0.405 CB 1.643 34 residues pruned to eliminate duplicates H: 19 52.573 2.405 0.980 0.937 1.000 0.722 CB 1.811 19 residues pruned to eliminate duplicates I: 39 65.934 2.511 1.346 0.643 0.947 0.579 CB 1.677 J: 18 57.065 2.526 0.999 0.945 1.000 0.765 CB 1.897 18 residues pruned to eliminate duplicates K: 85 71.848 2.485 1.005 0.581 0.857 0.560 CB 1.697 39 residues pruned to eliminate duplicates L: 99 52.184 2.166 0.718 0.498 0.908 0.602 CB 1.562 61 residues pruned to eliminate duplicates M: 21 55.711 2.352 1.356 0.926 1.000 0.800 CB 1.576 21 residues pruned to eliminate duplicates N: 20 54.890 2.321 1.133 0.954 1.000 0.737 CB 1.750 20 residues pruned to eliminate duplicates O: 21 25.325 2.099 1.073 0.425 0.850 0.350 CA 1.655 22 residues pruned to eliminate duplicates P: 18 51.886 2.507 0.913 0.947 1.000 0.647 CB 1.813 18 residues pruned to eliminate duplicates Q: 21 50.019 2.334 1.267 0.915 0.950 0.650 CB 1.573 21 residues pruned to eliminate duplicates R: 21 57.797 2.370 1.383 0.912 1.000 0.750 CB 1.621 21 residues pruned to eliminate duplicates S: 20 56.124 2.463 1.237 0.917 0.947 0.684 CB 1.741 20 residues pruned to eliminate duplicates T: 19 45.112 2.433 0.778 0.939 0.944 0.778 CA 1.809 19 residues pruned to eliminate duplicates U: 77 55.877 2.362 0.994 0.424 0.921 0.658 CB 1.599 77 residues pruned to eliminate duplicates V: 9 18.023 2.100 0.787 0.635 1.000 0.500 CB 1.496 W: 30 27.088 2.107 1.050 0.428 0.931 0.586 CB 1.349 30 residues pruned to eliminate duplicates X: 86 60.608 2.370 0.780 0.554 0.918 0.624 CB 1.610 73 residues pruned to eliminate duplicates Y: 52 50.017 2.292 0.796 0.662 0.902 0.549 CB 1.623 61 residues pruned to eliminate duplicates Z: 19 40.371 2.295 0.759 0.915 1.000 0.722 CA 1.666 19 residues pruned to eliminate duplicates Z: 92 66.102 2.398 0.925 0.567 0.890 0.516 CB 1.580 107 residues pruned to eliminate duplicates Z: 10 15.296 1.990 1.077 0.654 0.778 0.667 CA 1.374 Z: 35 50.858 2.317 1.106 0.639 0.912 0.500 CB 1.722 35 residues pruned to eliminate duplicates Z: 20 39.966 2.284 0.661 0.911 1.000 0.789 CA 1.713 20 residues pruned to eliminate duplicates Z: 20 49.436 2.335 0.967 0.917 1.000 0.737 CB 1.742 20 residues pruned to eliminate duplicates Z: 6 7.636 2.122 0.088 0.531 0.800 0.600 C 1.793 6 residues pruned to eliminate duplicates Z: 20 51.562 2.399 1.392 0.925 0.895 0.579 CB 1.617 20 residues pruned to eliminate duplicates Z: 21 53.860 2.352 1.176 0.927 1.000 0.650 CB 1.649 21 residues pruned to eliminate duplicates Z: 20 45.535 2.301 1.018 0.901 0.947 0.632 CB 1.696 20 residues pruned to eliminate duplicates Z: 19 48.680 2.441 0.904 0.926 1.000 0.833 CB 1.731 19 residues pruned to eliminate duplicates Z: 25 15.151 2.028 0.682 0.398 0.792 0.458 CB 1.276 Z: 19 54.167 2.459 1.038 0.957 0.944 0.722 CB 1.852 19 residues pruned to eliminate duplicates Z: 20 54.186 2.338 1.081 0.945 1.000 0.579 CA 1.769 20 residues pruned to eliminate duplicates Z: 14 17.033 2.011 1.206 0.527 0.769 0.385 CB 1.348 Z: 14 21.703 2.188 0.998 0.736 0.846 0.769 CB 1.317 Z: 19 31.716 2.238 0.539 0.821 1.000 0.778 CA 1.644 19 residues pruned to eliminate duplicates Z: 99 65.787 2.349 0.939 0.550 0.878 0.551 CB 1.583 84 residues pruned to eliminate duplicates Z: 66 71.993 2.583 1.155 0.555 0.908 0.631 CB 1.676 66 residues pruned to eliminate duplicates Z: 19 60.368 2.471 1.103 0.957 1.000 0.611 CB 1.880 19 residues pruned to eliminate duplicates Z: 9 21.297 2.116 1.277 0.670 0.875 0.750 CB 1.527 19 residues pruned to eliminate duplicates Z: 17 30.173 2.337 0.570 0.746 0.938 0.625 CB 1.760 17 residues pruned to eliminate duplicates Z: 20 57.858 2.462 1.367 0.932 0.947 0.737 CB 1.679 20 residues pruned to eliminate duplicates Z: 20 46.934 2.386 0.974 0.891 0.947 0.737 CB 1.735 20 residues pruned to eliminate duplicates Z: 32 40.187 2.425 0.679 0.634 0.871 0.516 CB 1.795 32 residues pruned to eliminate duplicates Z: 15 29.819 2.337 0.451 0.837 1.000 0.714 CB 1.757 15 residues pruned to eliminate duplicates Z: 16 28.068 2.323 0.461 0.792 1.000 0.600 CA 1.652 16 residues pruned to eliminate duplicates Z: 19 44.101 2.263 1.212 0.830 1.000 0.778 CB 1.561 14 residues pruned to eliminate duplicates Z: 19 45.316 2.458 0.727 0.945 0.944 0.778 CA 1.843 19 residues pruned to eliminate duplicates Z: 20 50.246 2.333 0.978 0.954 0.947 0.632 CB 1.814 20 residues pruned to eliminate duplicates Z: 17 32.368 2.331 0.507 0.815 1.000 0.625 CB 1.751 17 residues pruned to eliminate duplicates Z: 6 13.292 2.285 0.568 0.764 1.000 0.600 CB 1.313 6 residues pruned to eliminate duplicates Z: 16 22.063 2.069 0.617 0.596 1.000 0.600 CB 1.553 13 residues pruned to eliminate duplicates Z: 17 22.820 2.086 0.210 0.897 1.000 0.875 CB 1.618 17 residues pruned to eliminate duplicates Z: 9 22.054 2.237 0.511 0.890 1.000 0.875 CB 1.660 9 residues pruned to eliminate duplicates Z: 21 50.048 2.365 1.149 0.885 1.000 0.850 CB 1.589 21 residues pruned to eliminate duplicates Z: 53 36.572 2.250 0.603 0.518 0.923 0.481 CB 1.496 60 residues pruned to eliminate duplicates Z: 53 68.127 2.564 1.135 0.588 0.923 0.692 CB 1.719 53 residues pruned to eliminate duplicates Z: 6 8.094 2.067 0.758 0.295 1.000 0.800 CB 1.252 6 residues pruned to eliminate duplicates Z: 56 38.315 2.212 0.601 0.525 0.909 0.455 CB 1.565 56 residues pruned to eliminate duplicates Z: 17 31.207 2.287 0.636 0.775 0.938 0.500 CB 1.744 17 residues pruned to eliminate duplicates Z: 20 48.486 2.375 1.390 0.907 0.947 0.579 CB 1.470 20 residues pruned to eliminate duplicates Z: 14 33.489 2.296 0.943 0.619 1.000 0.615 CB 1.861 14 residues pruned to eliminate duplicates Z: 13 18.598 1.904 0.856 0.679 0.833 0.583 CB 1.547 18 residues pruned to eliminate duplicates Z: 19 57.592 2.378 1.121 0.954 1.000 0.500 CB 1.851 19 residues pruned to eliminate duplicates Z: 16 30.943 2.397 0.443 0.793 1.000 0.600 CA 1.785 16 residues pruned to eliminate duplicates Z: 15 20.249 2.114 0.991 0.499 0.857 0.500 CB 1.500 9 residues pruned to eliminate duplicates Z: 19 54.747 2.497 1.135 0.927 1.000 0.889 CB 1.696 19 residues pruned to eliminate duplicates Z: 9 14.556 1.940 0.545 0.871 0.875 0.750 CB 1.432 9 residues pruned to eliminate duplicates Z: 41 60.660 2.327 1.104 0.714 0.950 0.525 CB 1.699 42 residues pruned to eliminate duplicates Z: 74 52.423 2.323 0.816 0.434 0.932 0.507 CB 1.671 74 residues pruned to eliminate duplicates Z: 14 22.655 2.171 0.612 0.595 0.923 0.615 CB 1.778 14 residues pruned to eliminate duplicates Z: 11 29.274 2.482 1.038 0.577 0.900 0.500 CA 1.888 11 residues pruned to eliminate duplicates Z: 33 25.155 1.958 0.674 0.557 0.938 0.688 CB 1.369 33 residues pruned to eliminate duplicates Z: 10 13.878 2.160 1.174 0.434 0.667 0.444 CA 1.583 10 residues pruned to eliminate duplicates Z: 93 64.835 2.462 0.962 0.360 0.935 0.609 CB 1.741 93 residues pruned to eliminate duplicates Z: 121 68.933 2.351 0.899 0.452 0.917 0.625 CB 1.615 121 residues pruned to eliminate duplicates Z: 16 26.086 2.175 0.339 0.906 1.000 0.800 CB 1.645 16 residues pruned to eliminate duplicates Z: 22 52.133 2.371 1.508 0.702 0.905 0.810 CB 1.758 24 residues pruned to eliminate duplicates Z: 9 19.387 2.153 0.981 0.806 0.750 0.750 CB 1.640 9 residues pruned to eliminate duplicates Z: 8 27.904 2.356 1.481 0.739 0.857 0.857 CB 1.699 8 residues pruned to eliminate duplicates Z: 20 25.428 2.063 1.166 0.610 0.895 0.421 CB 1.314 20 residues pruned to eliminate duplicates Z: 19 21.052 2.218 0.814 0.722 0.889 0.722 CB 1.135 19 residues pruned to eliminate duplicates Z: 8 21.391 2.227 1.063 0.827 0.857 0.857 CB 1.548 8 residues pruned to eliminate duplicates Z: 18 27.564 2.270 0.325 0.827 1.000 0.765 CB 1.674 18 residues pruned to eliminate duplicates Z: 123 73.975 2.360 0.929 0.461 0.926 0.631 CB 1.653 121 residues pruned to eliminate duplicates Z: 18 24.556 2.032 0.582 0.881 0.941 0.647 CB 1.426 18 residues pruned to eliminate duplicates Z: 20 56.473 2.440 1.233 0.915 1.000 0.842 CB 1.681 20 residues pruned to eliminate duplicates Z: 79 65.388 2.275 0.994 0.599 0.949 0.667 CB 1.566 79 residues pruned to eliminate duplicates Z: 87 76.123 2.483 1.065 0.572 0.895 0.535 CB 1.668 84 residues pruned to eliminate duplicates Z: 19 43.215 2.400 0.562 0.946 1.000 0.944 CA 1.880 19 residues pruned to eliminate duplicates Z: 17 32.993 2.363 0.466 0.834 1.000 0.750 CA 1.784 17 residues pruned to eliminate duplicates Z: 66 44.740 2.168 0.765 0.519 0.938 0.677 CB 1.517 66 residues pruned to eliminate duplicates Z: 69 77.658 2.570 1.210 0.556 0.912 0.603 CB 1.722 74 residues pruned to eliminate duplicates Z: 18 26.842 2.218 0.365 0.809 1.000 0.706 CA 1.643 18 residues pruned to eliminate duplicates Z: 17 25.546 2.465 0.984 0.341 0.875 0.688 CB 1.775 17 residues pruned to eliminate duplicates Z: 17 29.838 2.309 0.461 0.792 1.000 0.750 CA 1.712 17 residues pruned to eliminate duplicates Z: 13 8.066 1.757 0.273 0.403 0.833 0.417 N 1.383 Z: 16 27.375 2.246 0.455 0.921 0.933 0.733 CB 1.630 16 residues pruned to eliminate duplicates Z: 16 31.566 2.376 0.480 0.794 1.000 0.800 CB 1.791 16 residues pruned to eliminate duplicates Z: 115 66.463 2.366 0.889 0.420 0.904 0.579 CB 1.676 115 residues pruned to eliminate duplicates Z: 18 26.914 2.199 1.348 0.588 0.765 0.588 CA 1.519 18 residues pruned to eliminate duplicates Z: 167 73.052 2.266 0.793 0.493 0.910 0.560 CB 1.545 195 residues pruned to eliminate duplicates Z: 8 23.741 2.138 0.946 0.876 1.000 0.857 CB 1.567 8 residues pruned to eliminate duplicates Z: 41 61.226 2.344 0.965 0.718 0.975 0.625 CB 1.770 41 residues pruned to eliminate duplicates Z: 32 36.202 2.217 0.950 0.537 0.903 0.645 CB 1.606 32 residues pruned to eliminate duplicates Z: 8 13.354 2.197 0.543 0.796 0.857 0.714 CA 1.341 8 residues pruned to eliminate duplicates Z: 23 17.912 1.945 0.672 0.490 0.818 0.364 CB 1.450 Z: 18 21.465 2.079 0.464 0.864 0.824 0.765 CA 1.522 18 residues pruned to eliminate duplicates Z: 8 8.919 2.221 0.151 0.778 0.714 0.571 CA 1.445 8 residues pruned to eliminate duplicates Z: 21 26.861 2.072 0.928 0.664 0.850 0.650 CB 1.519 21 residues pruned to eliminate duplicates Z: 41 35.840 2.230 0.986 0.477 0.900 0.600 CB 1.455 41 residues pruned to eliminate duplicates Z: 14 17.468 1.980 0.656 0.554 0.923 0.385 CB 1.518 14 residues pruned to eliminate duplicates Z: 32 39.167 2.285 0.933 0.644 0.935 0.581 CB 1.488 32 residues pruned to eliminate duplicates Z: 6 13.912 2.097 0.811 0.848 1.000 1.000 CA 1.215 6 residues pruned to eliminate duplicates Z: 123 66.618 2.339 0.880 0.422 0.910 0.566 CB 1.634 123 residues pruned to eliminate duplicates Z: 17 25.430 2.151 0.423 0.884 0.938 0.625 CB 1.601 17 residues pruned to eliminate duplicates Z: 6 18.558 2.220 0.871 0.766 1.000 0.600 CA 1.578 6 residues pruned to eliminate duplicates Z: 17 22.042 2.163 0.293 0.874 0.875 0.688 CB 1.639 17 residues pruned to eliminate duplicates Z: 108 71.220 2.405 0.860 0.544 0.907 0.598 CB 1.626 108 residues pruned to eliminate duplicates Z: 46 71.744 2.582 1.189 0.645 0.978 0.756 CB 1.690 46 residues pruned to eliminate duplicates Z: 79 64.097 2.286 1.004 0.594 0.923 0.577 CB 1.569 79 residues pruned to eliminate duplicates Z: 37 30.481 2.099 0.796 0.461 0.889 0.500 CB 1.579 22 residues pruned to eliminate duplicates Z: 7 7.174 2.116 1.179 0.393 0.500 0.500 CB 1.422 7 residues pruned to eliminate duplicates Z: 163 73.821 2.252 0.862 0.463 0.926 0.562 CB 1.552 163 residues pruned to eliminate duplicates Z: 16 42.076 2.375 1.146 0.694 1.000 0.800 CA 1.785 16 residues pruned to eliminate duplicates Z: 41 41.241 2.255 1.098 0.494 0.900 0.600 CB 1.540 41 residues pruned to eliminate duplicates Z: 10 19.557 2.029 0.711 0.841 1.000 0.889 CB 1.400 10 residues pruned to eliminate duplicates Z: 48 62.730 2.467 1.274 0.583 0.915 0.681 CB 1.646 48 residues pruned to eliminate duplicates Z: 14 15.870 2.284 0.593 0.539 0.846 0.385 CB 1.377 14 residues pruned to eliminate duplicates Z: 10 17.222 1.994 0.937 0.639 0.778 0.778 CB 1.677 10 residues pruned to eliminate duplicates Z: 20 55.993 2.464 1.160 0.930 1.000 0.842 CB 1.687 20 residues pruned to eliminate duplicates Z: 16 31.172 2.147 0.695 0.942 1.000 0.867 CB 1.533 16 residues pruned to eliminate duplicates Z: 11 16.281 2.202 1.118 0.552 0.700 0.600 CA 1.499 11 residues pruned to eliminate duplicates Z: 6 3.510 1.239 0.965 0.758 1.000 0.600 N 0.513 6 residues pruned to eliminate duplicates Z: 51 45.221 2.445 0.800 0.534 0.800 0.500 CB 1.756 51 residues pruned to eliminate duplicates Z: 20 62.407 2.475 1.385 0.938 1.000 0.737 CB 1.687 20 residues pruned to eliminate duplicates Z: 9 22.160 2.316 0.851 0.599 1.000 0.750 N 1.663 9 residues pruned to eliminate duplicates Z: 9 9.472 2.285 0.610 0.384 0.875 0.625 CB 1.177 9 residues pruned to eliminate duplicates Z: 16 19.753 2.142 0.465 0.895 0.800 0.333 CB 1.455 16 residues pruned to eliminate duplicates Z: 19 23.897 2.452 0.846 0.451 0.833 0.722 CB 1.569 19 residues pruned to eliminate duplicates Z: 8 3.833 1.789 -0.279 0.428 0.857 0.429 O 1.413 Z: 97 71.181 2.386 0.935 0.570 0.906 0.698 CB 1.623 97 residues pruned to eliminate duplicates Z: 19 56.012 2.438 1.049 0.941 1.000 0.833 CB 1.834 19 residues pruned to eliminate duplicates Z: 13 12.504 2.016 0.523 0.541 0.833 0.667 CB 1.355 Z: 35 28.257 2.359 1.011 0.256 0.794 0.559 CB 1.700 35 residues pruned to eliminate duplicates Z: 35 40.391 2.239 0.789 0.587 0.971 0.676 CB 1.640 35 residues pruned to eliminate duplicates Z: 9 12.489 2.028 0.375 0.792 0.875 0.750 CA 1.401 9 residues pruned to eliminate duplicates Z: 71 65.820 2.480 0.801 0.628 0.886 0.671 CB 1.763 71 residues pruned to eliminate duplicates Z: 8 6.145 1.945 -0.147 0.519 0.857 0.714 C 1.604 Z: 20 61.811 2.426 1.469 0.917 1.000 0.632 CB 1.671 20 residues pruned to eliminate duplicates Z: 91 43.458 2.104 0.724 0.444 0.867 0.589 CB 1.544 91 residues pruned to eliminate duplicates Z: 37 23.193 1.965 0.804 0.419 0.833 0.444 CB 1.424 24 residues pruned to eliminate duplicates Z: 8 8.063 2.068 -0.227 0.742 1.000 0.857 CB 1.534 Z: 49 34.506 2.190 0.669 0.510 0.896 0.583 CB 1.506 49 residues pruned to eliminate duplicates Z: 10 17.381 2.061 0.981 0.776 0.778 0.667 CB 1.430 10 residues pruned to eliminate duplicates Z: 34 31.432 2.157 0.871 0.470 0.879 0.515 CB 1.591 34 residues pruned to eliminate duplicates Z: 8 4.358 1.823 0.294 0.387 0.857 0.429 CB 0.918 8 residues pruned to eliminate duplicates Z: 19 39.157 2.415 0.487 0.948 1.000 0.889 CB 1.775 19 residues pruned to eliminate duplicates Z: 79 53.030 2.258 0.778 0.541 0.923 0.551 CB 1.557 79 residues pruned to eliminate duplicates Z: 17 25.857 2.180 0.503 0.890 0.938 0.688 CB 1.514 17 residues pruned to eliminate duplicates Z: 18 30.938 2.471 1.064 0.401 0.882 0.412 CB 1.850 18 residues pruned to eliminate duplicates Z: 6 5.254 1.538 0.790 0.651 1.000 0.600 N 0.741 6 residues pruned to eliminate duplicates Z: 11 15.543 1.785 0.535 0.845 1.000 0.500 CB 1.334 11 residues pruned to eliminate duplicates Z: 16 23.463 2.527 0.798 0.291 0.933 0.600 CB 1.807 16 residues pruned to eliminate duplicates Z: 23 44.413 2.309 1.097 0.623 0.955 0.682 CB 1.824 23 residues pruned to eliminate duplicates Z: 10 15.897 1.941 0.643 0.813 1.000 0.889 CA 1.265 10 residues pruned to eliminate duplicates Z: 15 32.855 2.242 1.434 0.732 0.857 0.786 CB 1.524 15 residues pruned to eliminate duplicates Z: 44 26.824 2.048 0.763 0.439 0.814 0.558 CB 1.483 44 residues pruned to eliminate duplicates Z: 11 13.479 1.766 0.689 0.837 0.900 0.700 CA 1.188 11 residues pruned to eliminate duplicates Z: 22 12.250 1.781 0.487 0.394 0.762 0.381 CB 1.483 22 residues pruned to eliminate duplicates Z: 9 30.104 2.271 1.010 0.868 1.000 0.750 CB 1.703 9 residues pruned to eliminate duplicates Z: 13 16.566 1.851 0.432 0.905 1.000 0.917 CB 1.284 13 residues pruned to eliminate duplicates Z: 30 35.314 2.532 0.966 0.373 0.897 0.586 CB 1.682 30 residues pruned to eliminate duplicates Z: 8 8.618 1.774 0.628 0.608 1.000 0.857 CB 1.018 8 residues pruned to eliminate duplicates Z: 56 46.984 2.299 1.029 0.451 0.909 0.509 CB 1.571 56 residues pruned to eliminate duplicates Z: 16 24.563 2.135 0.585 0.851 0.867 0.733 CB 1.601 16 residues pruned to eliminate duplicates Z: 18 27.352 2.138 0.427 0.886 0.941 0.588 CB 1.667 18 residues pruned to eliminate duplicates Z: 9 19.214 2.034 1.059 0.638 1.000 0.875 CB 1.426 9 residues pruned to eliminate duplicates Z: 38 27.885 2.101 0.762 0.460 0.838 0.486 CB 1.539 38 residues pruned to eliminate duplicates Z: 14 13.398 1.825 0.331 0.871 0.923 0.846 CB 1.209 14 residues pruned to eliminate duplicates Z: 13 14.733 1.870 0.273 0.904 1.000 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 128 85.421 2.385 0.995 0.576 0.929 0.622 CB 1.594 128 residues pruned to eliminate duplicates Z: 19 35.511 2.340 0.494 0.939 1.000 0.722 CA 1.664 19 residues pruned to eliminate duplicates Z: 8 5.483 1.663 0.063 0.475 1.000 0.429 C 1.201 Z: 19 28.974 2.370 0.174 0.936 1.000 1.000 CA 1.708 19 residues pruned to eliminate duplicates Z: 31 23.267 1.983 0.519 0.539 0.933 0.667 CB 1.454 31 residues pruned to eliminate duplicates Z: 8 22.310 2.166 0.724 0.876 1.000 0.714 CB 1.642 8 residues pruned to eliminate duplicates Z: 10 19.731 1.848 0.842 0.839 1.000 0.667 CA 1.443 10 residues pruned to eliminate duplicates Z: 20 33.507 2.140 1.120 0.824 0.947 0.842 CB 1.351 20 residues pruned to eliminate duplicates Z: 6 17.578 2.081 1.255 0.839 1.000 0.800 CA 1.251 6 residues pruned to eliminate duplicates Z: 58 72.700 2.478 1.193 0.634 0.947 0.719 CB 1.650 58 residues pruned to eliminate duplicates Z: 78 60.677 2.369 1.208 0.421 0.896 0.558 CB 1.601 78 residues pruned to eliminate duplicates Z: 7 7.622 2.129 -0.303 0.764 1.000 0.500 CB 1.660 7 residues pruned to eliminate duplicates Z: 10 14.264 1.860 0.345 0.875 1.000 0.556 CB 1.383 10 residues pruned to eliminate duplicates Z: 10 13.917 1.797 0.440 0.840 1.000 0.889 CB 1.337 10 residues pruned to eliminate duplicates Z: 18 46.199 2.476 0.988 0.682 1.000 0.882 CB 1.926 18 residues pruned to eliminate duplicates Z: 30 22.241 1.999 0.455 0.592 0.897 0.759 CB 1.451 30 residues pruned to eliminate duplicates Z: 14 9.720 2.092 0.194 0.516 0.846 0.385 CB 1.256 22 residues pruned to eliminate duplicates Z: 32 35.695 2.380 0.945 0.450 0.871 0.581 CB 1.674 32 residues pruned to eliminate duplicates Z: 13 32.741 2.480 1.070 0.665 0.917 0.667 CB 1.724 13 residues pruned to eliminate duplicates Z: 15 11.613 2.033 0.864 0.357 0.714 0.357 CB 1.338 15 residues pruned to eliminate duplicates Z: 75 60.202 2.432 0.856 0.449 0.932 0.581 CB 1.752 75 residues pruned to eliminate duplicates Z: 10 15.580 2.041 0.890 0.758 0.889 0.556 CB 1.204 10 residues pruned to eliminate duplicates Z: 14 24.391 2.091 1.178 0.705 0.769 0.769 CB 1.603 14 residues pruned to eliminate duplicates Z: 8 5.765 1.919 0.342 0.213 0.857 0.429 CB 1.384 8 residues pruned to eliminate duplicates Z: 37 27.275 2.040 0.782 0.467 0.889 0.417 CB 1.455 37 residues pruned to eliminate duplicates Z: 13 15.011 1.887 0.309 0.911 1.000 1.000 CB 1.243 13 residues pruned to eliminate duplicates Z: 51 26.309 1.985 0.547 0.474 0.880 0.640 CB 1.414 51 residues pruned to eliminate duplicates Z: 12 13.311 1.907 0.569 0.584 0.818 0.545 CB 1.512 12 residues pruned to eliminate duplicates Z: 20 12.823 1.815 0.461 0.532 0.737 0.474 N 1.459 10 residues pruned to eliminate duplicates Z: 13 16.445 1.869 0.462 0.934 0.917 0.917 CB 1.321 13 residues pruned to eliminate duplicates Z: 16 31.695 2.318 0.604 0.772 1.000 0.800 CB 1.729 16 residues pruned to eliminate duplicates Z: 9 11.042 1.777 0.630 0.526 0.875 0.500 N 1.501 9 residues pruned to eliminate duplicates Z: 90 53.554 2.284 0.837 0.382 0.933 0.562 CB 1.646 90 residues pruned to eliminate duplicates Z: 41 39.627 2.251 0.985 0.516 0.900 0.625 CB 1.534 41 residues pruned to eliminate duplicates Z: 9 6.021 1.631 0.023 0.824 0.875 0.625 CB 1.101 9 residues pruned to eliminate duplicates Z: 40 39.384 2.254 0.962 0.519 0.923 0.641 CB 1.516 40 residues pruned to eliminate duplicates Z: 14 28.576 2.341 0.662 0.819 0.923 0.692 CA 1.674 14 residues pruned to eliminate duplicates Z: 24 15.439 1.937 0.886 0.426 0.783 0.478 CB 1.217 21 residues pruned to eliminate duplicates Z: 7 7.302 1.894 0.347 0.591 0.833 0.167 CB 1.286 7 residues pruned to eliminate duplicates Z: 76 60.757 2.400 0.913 0.440 0.933 0.600 CB 1.742 76 residues pruned to eliminate duplicates Z: 102 78.956 2.414 0.932 0.584 0.931 0.683 CB 1.670 102 residues pruned to eliminate duplicates Z: 16 13.528 1.691 0.289 0.879 1.000 0.733 CB 1.162 16 residues pruned to eliminate duplicates Z: 21 44.225 2.281 0.995 0.872 0.950 0.700 CB 1.668 21 residues pruned to eliminate duplicates Z: 42 26.665 2.021 0.631 0.422 0.927 0.463 CB 1.479 42 residues pruned to eliminate duplicates Z: 54 26.749 2.059 0.509 0.424 0.849 0.472 CB 1.506 54 residues pruned to eliminate duplicates Z: 43 25.297 1.931 0.749 0.402 0.857 0.548 CB 1.496 43 residues pruned to eliminate duplicates Z: 14 16.268 1.843 0.532 0.869 1.000 0.769 CB 1.167 14 residues pruned to eliminate duplicates Z: 41 57.677 2.429 1.261 0.650 0.925 0.750 CB 1.561 41 residues pruned to eliminate duplicates Z: 8 4.535 1.941 -0.311 0.630 0.714 0.429 CB 1.588 8 residues pruned to eliminate duplicates Z: 39 43.699 2.368 0.821 0.617 0.868 0.579 CB 1.694 39 residues pruned to eliminate duplicates Z: 18 22.649 2.147 0.305 0.847 1.000 0.824 CB 1.456 18 residues pruned to eliminate duplicates Z: 36 28.798 2.120 0.718 0.477 0.886 0.543 CB 1.545 36 residues pruned to eliminate duplicates Z: 7 3.664 1.639 -0.091 0.529 0.833 0.833 CB 1.171 Z: 14 16.986 1.841 0.573 0.867 1.000 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 14 21.839 2.180 0.866 0.553 0.923 0.769 CB 1.532 9 residues pruned to eliminate duplicates Z: 24 22.324 1.972 1.048 0.553 0.913 0.565 CB 1.199 24 residues pruned to eliminate duplicates Z: 37 28.101 2.043 0.721 0.427 0.917 0.556 CB 1.567 37 residues pruned to eliminate duplicates Z: 21 40.595 2.342 0.912 0.871 0.900 0.800 CB 1.643 21 residues pruned to eliminate duplicates Z: 159 66.458 2.241 0.833 0.439 0.880 0.544 CB 1.558 159 residues pruned to eliminate duplicates Z: 9 15.949 2.144 1.126 0.683 0.875 0.500 CB 1.195 9 residues pruned to eliminate duplicates Z: 6 2.652 1.759 0.352 0.535 0.800 0.600 CB 0.603 Z: 10 19.344 1.981 1.080 0.865 0.889 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 38 26.080 2.030 0.667 0.453 0.865 0.459 CB 1.537 38 residues pruned to eliminate duplicates Z: 67 37.579 2.089 0.509 0.560 0.894 0.606 CB 1.549 67 residues pruned to eliminate duplicates Z: 109 68.706 2.370 0.958 0.423 0.917 0.556 CB 1.684 109 residues pruned to eliminate duplicates Z: 6 5.771 1.834 0.290 0.858 0.800 0.200 CA 1.004 6 residues pruned to eliminate duplicates Z: 37 37.011 2.298 0.905 0.467 0.889 0.583 CB 1.639 37 residues pruned to eliminate duplicates Z: 8 7.728 1.507 0.792 0.902 1.000 0.857 CB 0.771 8 residues pruned to eliminate duplicates Z: 65 68.911 2.526 1.100 0.549 0.922 0.578 CB 1.679 65 residues pruned to eliminate duplicates Z: 32 29.452 2.158 0.849 0.486 0.839 0.355 CB 1.603 32 residues pruned to eliminate duplicates Z: 33 41.952 2.506 1.122 0.321 0.938 0.594 CB 1.812 33 residues pruned to eliminate duplicates Z: 11 4.915 1.558 0.631 0.340 0.800 0.500 N 0.911 Z: 18 31.029 2.117 0.612 0.887 1.000 0.588 CB 1.591 18 residues pruned to eliminate duplicates Z: 20 60.171 2.419 1.425 0.933 1.000 0.737 CB 1.643 20 residues pruned to eliminate duplicates Z: 13 14.231 2.141 0.802 0.539 0.667 0.667 CA 1.538 13 residues pruned to eliminate duplicates Z: 100 68.715 2.375 0.966 0.560 0.879 0.596 CB 1.588 100 residues pruned to eliminate duplicates Z: 12 17.265 1.896 0.579 0.919 1.000 0.727 CB 1.226 12 residues pruned to eliminate duplicates Z: 14 16.356 1.928 0.879 0.578 0.692 0.385 O 1.678 14 residues pruned to eliminate duplicates Z: 7 17.552 2.054 0.556 0.877 1.000 0.833 CB 1.628 7 residues pruned to eliminate duplicates Z: 11 18.945 2.156 0.690 0.557 0.900 0.400 CB 1.729 11 residues pruned to eliminate duplicates Z: 14 15.546 1.794 0.595 0.862 0.923 0.846 CB 1.198 14 residues pruned to eliminate duplicates Z: 8 10.278 1.650 0.703 0.914 1.000 0.857 CB 0.977 8 residues pruned to eliminate duplicates Z: 132 70.118 2.307 0.957 0.422 0.908 0.565 CB 1.621 132 residues pruned to eliminate duplicates Z: 8 7.352 1.651 1.146 0.330 1.000 0.571 N 0.945 Z: 11 13.135 1.848 1.017 0.500 0.800 0.500 CB 1.393 11 residues pruned to eliminate duplicates Z: 6 3.485 1.597 0.258 0.440 0.800 0.400 CA 1.032 6 residues pruned to eliminate duplicates Z: 51 39.437 2.346 1.000 0.329 0.860 0.480 CB 1.668 51 residues pruned to eliminate duplicates Z: 18 27.981 2.290 0.347 0.833 1.000 0.706 CA 1.650 18 residues pruned to eliminate duplicates Z: 19 26.980 2.204 0.946 0.584 0.889 0.611 CB 1.538 19 residues pruned to eliminate duplicates Z: 8 9.922 1.714 0.717 0.591 1.000 0.714 CB 1.168 8 residues pruned to eliminate duplicates Z: 8 2.765 1.672 0.093 0.455 0.714 0.286 N 0.838 8 residues pruned to eliminate duplicates Z: 8 8.258 1.808 0.807 0.566 0.857 0.714 N 1.046 Z: 12 17.758 1.912 0.414 0.927 1.000 0.909 CB 1.388 12 residues pruned to eliminate duplicates Z: 71 68.764 2.485 0.894 0.633 0.900 0.571 CB 1.712 71 residues pruned to eliminate duplicates Z: 27 13.199 1.890 0.549 0.399 0.846 0.500 CB 1.163 27 residues pruned to eliminate duplicates Z: 35 22.708 1.923 0.554 0.570 0.882 0.706 CB 1.381 53 residues pruned to eliminate duplicates Z: 131 68.786 2.315 0.897 0.443 0.915 0.577 CB 1.591 123 residues pruned to eliminate duplicates Z: 20 18.275 1.966 0.727 0.509 0.789 0.368 CB 1.549 20 residues pruned to eliminate duplicates Z: 35 18.520 1.838 0.793 0.393 0.794 0.529 CB 1.359 35 residues pruned to eliminate duplicates Z: 32 33.634 2.161 0.862 0.506 0.935 0.516 CA 1.595 37 residues pruned to eliminate duplicates Z: 10 18.418 2.042 0.766 0.683 1.000 0.667 CA 1.440 10 residues pruned to eliminate duplicates Z: 18 18.598 1.909 0.373 0.891 0.882 0.706 CB 1.403 18 residues pruned to eliminate duplicates Z: 20 28.638 2.528 1.168 0.326 0.842 0.789 CB 1.724 20 residues pruned to eliminate duplicates Z: 7 10.462 2.154 0.374 0.362 1.000 0.667 CB 1.675 7 residues pruned to eliminate duplicates Z: 6 2.845 1.702 -0.036 0.537 0.800 0.600 CB 0.935 Z: 15 17.557 1.873 0.739 0.538 0.929 0.643 C 1.494 15 residues pruned to eliminate duplicates Z: 64 42.792 2.239 0.648 0.462 0.921 0.587 CB 1.649 64 residues pruned to eliminate duplicates Z: 11 3.184 1.550 -0.017 0.211 0.800 0.200 C 1.162 11 residues pruned to eliminate duplicates Z: 13 16.773 2.053 0.608 0.602 1.000 0.750 CB 1.331 9 residues pruned to eliminate duplicates Z: 22 15.191 1.834 0.807 0.558 0.762 0.524 CB 1.241 22 residues pruned to eliminate duplicates Z: 7 15.785 2.237 0.515 0.884 1.000 1.000 CB 1.373 7 residues pruned to eliminate duplicates Z: 33 38.616 2.211 1.067 0.635 0.906 0.500 CB 1.452 33 residues pruned to eliminate duplicates Z: 10 22.861 2.125 0.987 0.583 1.000 1.000 CA 1.666 10 residues pruned to eliminate duplicates Z: 7 5.669 1.841 0.148 0.533 0.833 0.833 C 1.271 3 residues pruned to eliminate duplicates Z: 6 8.144 1.887 0.556 0.437 1.000 0.600 CB 1.324 6 residues pruned to eliminate duplicates Z: 8 9.636 1.665 0.645 0.915 1.000 1.000 CB 0.940 8 residues pruned to eliminate duplicates Z: 30 32.344 2.353 1.051 0.359 0.862 0.483 CB 1.681 30 residues pruned to eliminate duplicates Z: 15 31.443 2.159 0.668 0.934 1.000 0.714 CB 1.627 15 residues pruned to eliminate duplicates Z: 8 4.621 1.533 0.288 0.524 0.857 0.571 CB 1.007 Z: 86 61.929 2.375 1.028 0.432 0.941 0.647 CB 1.590 96 residues pruned to eliminate duplicates Z: 30 9.258 1.876 -0.084 0.432 0.828 0.448 CB 1.297 25 residues pruned to eliminate duplicates Z: 6 2.727 1.472 0.102 0.505 0.800 0.600 CA 0.935 6 residues pruned to eliminate duplicates Z: 8 2.909 1.647 -0.216 0.555 0.714 0.571 CB 1.129 Z: 43 43.620 2.438 0.945 0.355 0.952 0.595 CB 1.743 43 residues pruned to eliminate duplicates Z: 13 12.597 1.821 0.789 0.536 0.833 0.500 CA 1.292 13 residues pruned to eliminate duplicates Z: 10 5.689 1.299 0.383 0.636 1.000 0.444 CB 0.929 10 residues pruned to eliminate duplicates Z: 92 46.200 2.118 0.636 0.517 0.901 0.626 CB 1.525 92 residues pruned to eliminate duplicates Z: 62 46.562 2.392 0.914 0.378 0.918 0.574 CB 1.616 62 residues pruned to eliminate duplicates Z: 13 4.160 1.587 0.687 0.267 0.583 0.250 CB 1.003 Z: 41 42.374 2.330 1.153 0.415 0.900 0.500 CB 1.623 41 residues pruned to eliminate duplicates Z: 48 22.323 1.915 0.507 0.503 0.851 0.660 CB 1.321 48 residues pruned to eliminate duplicates Z: 50 22.905 1.925 0.588 0.382 0.857 0.510 CB 1.416 50 residues pruned to eliminate duplicates Z: 71 66.069 2.442 0.841 0.645 0.886 0.629 CB 1.731 71 residues pruned to eliminate duplicates Z: 6 3.028 1.708 0.189 0.296 0.800 0.600 C 1.047 Z: 8 6.096 1.788 0.545 0.493 0.714 0.714 CB 1.175 8 residues pruned to eliminate duplicates Z: 7 7.041 1.876 -0.003 0.743 1.000 0.500 CB 1.237 7 residues pruned to eliminate duplicates Z: 6 3.336 1.558 0.602 0.300 0.800 0.800 C 0.935 6 residues pruned to eliminate duplicates Z: 26 26.896 2.106 0.798 0.511 0.840 0.480 CB 1.673 26 residues pruned to eliminate duplicates Z: 21 28.042 2.100 0.946 0.728 1.000 0.650 CB 1.250 21 residues pruned to eliminate duplicates Z: 8 3.142 1.769 -0.189 0.676 1.000 0.571 CB 0.704 Z: 8 4.056 1.657 0.393 0.323 0.714 0.429 CA 1.130 8 residues pruned to eliminate duplicates Z: 17 39.082 2.409 0.929 0.769 1.000 0.938 CB 1.656 17 residues pruned to eliminate duplicates Z: 15 23.735 2.077 1.274 0.660 0.857 0.643 CB 1.351 15 residues pruned to eliminate duplicates Z: 61 57.856 2.472 0.838 0.569 0.883 0.533 CB 1.740 61 residues pruned to eliminate duplicates Z: 6 2.632 1.450 -0.198 0.538 1.000 0.400 CB 0.975 Z: 11 3.956 1.521 0.415 0.408 0.700 0.300 CB 0.915 Z: 32 43.711 2.245 1.000 0.692 0.903 0.613 CB 1.624 32 residues pruned to eliminate duplicates Z: 15 39.072 2.284 1.005 0.882 1.000 0.643 CA 1.650 15 residues pruned to eliminate duplicates 6 1.159 1.411 0.112 0.299 0.600 0.400 CB 0.689 ? Z: 58 64.126 2.532 1.058 0.525 0.930 0.632 CB 1.710 58 residues pruned to eliminate duplicates Z: 65 48.143 2.353 0.832 0.422 0.875 0.562 CB 1.730 65 residues pruned to eliminate duplicates Z: 10 4.319 1.624 0.376 0.523 0.667 0.556 CB 0.944 10 residues pruned to eliminate duplicates Z: 7 8.260 1.769 0.776 0.594 0.833 0.500 CB 1.178 7 residues pruned to eliminate duplicates Z: 43 52.271 2.401 1.158 0.613 0.929 0.595 CB 1.507 43 residues pruned to eliminate duplicates Z: 59 51.640 2.328 0.787 0.500 0.948 0.603 CB 1.718 59 residues pruned to eliminate duplicates Z: 106 54.376 2.237 0.690 0.458 0.924 0.571 CB 1.585 106 residues pruned to eliminate duplicates Z: 12 12.601 1.957 0.314 0.589 0.909 0.545 CB 1.492 12 residues pruned to eliminate duplicates Z: 9 8.240 1.734 0.036 0.715 1.000 0.750 CB 1.334 9 residues pruned to eliminate duplicates Z: 6 2.698 1.565 0.110 0.666 1.000 0.800 CB 0.595 4 residues pruned to eliminate duplicates Z: 29 26.365 1.996 0.741 0.577 0.964 0.750 CB 1.381 29 residues pruned to eliminate duplicates Z: 13 18.915 1.987 0.983 0.598 0.917 0.583 C 1.376 13 residues pruned to eliminate duplicates Z: 6 5.530 1.618 0.441 0.732 0.800 0.400 CB 1.077 6 residues pruned to eliminate duplicates Z: 17 23.747 2.221 0.785 0.598 0.875 0.562 CB 1.559 17 residues pruned to eliminate duplicates Z: 6 4.209 1.674 0.383 0.417 0.800 0.600 N 1.108 6 residues pruned to eliminate duplicates Z: 7 7.506 1.807 0.068 0.808 1.000 1.000 CB 1.214 Z: 10 5.566 1.653 0.128 0.495 0.889 0.444 CB 1.125 10 residues pruned to eliminate duplicates Z: 36 39.407 2.305 0.825 0.632 0.971 0.543 CB 1.441 36 residues pruned to eliminate duplicates Z: 49 26.466 1.934 0.676 0.422 0.896 0.521 CB 1.426 49 residues pruned to eliminate duplicates Z: 10 3.821 1.697 -0.031 0.351 0.667 0.222 O 1.364 Z: 21 16.500 1.814 0.576 0.469 0.900 0.450 CB 1.480 21 residues pruned to eliminate duplicates Z: 8 10.214 1.628 0.643 0.913 1.000 1.000 CB 1.021 8 residues pruned to eliminate duplicates Z: 13 14.373 1.845 0.349 0.897 1.000 0.917 CB 1.194 13 residues pruned to eliminate duplicates Z: 30 18.692 1.856 0.623 0.441 0.897 0.552 CB 1.367 30 residues pruned to eliminate duplicates Z: 39 31.279 2.170 0.874 0.403 0.895 0.526 CB 1.544 39 residues pruned to eliminate duplicates Z: 11 8.242 1.869 0.417 0.346 0.800 0.500 CA 1.453 11 residues pruned to eliminate duplicates Z: 23 22.795 2.229 0.803 0.443 0.864 0.500 CB 1.485 23 residues pruned to eliminate duplicates Z: 21 29.822 2.249 0.865 0.588 0.950 0.600 CB 1.539 23 residues pruned to eliminate duplicates Z: 9 7.020 1.763 0.178 0.384 1.000 0.500 CB 1.351 9 residues pruned to eliminate duplicates Z: 27 40.446 2.164 0.992 0.703 0.923 0.615 CA 1.657 27 residues pruned to eliminate duplicates Z: 11 8.712 1.952 -0.036 0.453 0.900 0.400 N 1.707 Z: 38 43.557 2.480 1.105 0.347 0.946 0.649 CB 1.712 38 residues pruned to eliminate duplicates Z: 17 22.202 2.106 0.443 0.896 0.875 0.375 CB 1.494 17 residues pruned to eliminate duplicates Z: 6 4.226 1.785 0.515 0.167 0.800 0.400 CA 1.310 6 residues pruned to eliminate duplicates Z: 21 7.635 1.646 0.646 0.454 0.800 0.600 CB 0.825 21 residues pruned to eliminate duplicates Z: 107 55.653 2.315 0.827 0.432 0.877 0.594 CB 1.564 107 residues pruned to eliminate duplicates Z: 16 14.295 1.833 0.835 0.380 0.800 0.533 CA 1.558 Z: 9 8.344 1.791 0.936 0.678 0.750 0.750 N 0.963 9 residues pruned to eliminate duplicates Z: 6 4.788 1.551 0.515 0.388 1.000 0.400 CB 1.027 Z: 10 5.364 1.451 0.193 0.509 0.889 0.667 CB 1.151 Z: 144 67.196 2.265 0.831 0.457 0.902 0.573 CB 1.570 144 residues pruned to eliminate duplicates Z: 6 6.544 1.775 0.489 0.470 0.800 0.400 CA 1.427 6 residues pruned to eliminate duplicates Z: 13 9.428 1.783 0.953 0.589 0.833 0.500 N 0.861 13 residues pruned to eliminate duplicates Z: 21 23.917 2.368 0.981 0.321 0.850 0.450 CB 1.633 21 residues pruned to eliminate duplicates Z: 13 21.070 2.259 1.107 0.359 0.833 0.583 N 1.784 13 residues pruned to eliminate duplicates Z: 21 23.528 2.106 0.657 0.515 0.900 0.600 CB 1.652 21 residues pruned to eliminate duplicates Z: 45 34.168 2.240 0.740 0.493 0.841 0.500 CB 1.583 45 residues pruned to eliminate duplicates Z: 9 10.680 1.941 -0.123 0.828 1.000 0.875 O 1.670 10 residues pruned to eliminate duplicates Z: 25 47.176 2.414 1.280 0.693 0.917 0.708 CB 1.599 25 residues pruned to eliminate duplicates Z: 9 4.629 1.355 0.220 0.477 1.000 0.500 N 1.013 6 residues pruned to eliminate duplicates Z: 10 5.634 1.565 0.603 0.305 0.778 0.333 O 1.196 Z: 34 34.169 2.167 0.631 0.605 0.909 0.606 CB 1.676 34 residues pruned to eliminate duplicates Z: 12 4.440 1.681 0.322 0.285 0.818 0.455 CB 0.938 Z: 10 8.396 1.699 0.413 0.516 0.889 0.556 CB 1.291 12 residues pruned to eliminate duplicates Z: 10 5.950 1.582 0.311 0.474 0.889 0.556 CB 1.104 10 residues pruned to eliminate duplicates 6 1.945 1.202 0.420 0.561 0.800 0.800 CB 0.600 ? Using tripeptides from previous cycle as seeds Z: 21 23.478 1.971 0.758 0.555 0.900 0.500 CB 1.595 20 residues pruned to eliminate duplicates Z: 6 9.572 1.693 0.866 0.480 1.000 0.600 C 1.382 6 residues pruned to eliminate duplicates Z: 9 22.739 2.094 0.748 0.712 1.000 0.750 C 1.813 9 residues pruned to eliminate duplicates Z: 11 18.903 1.989 0.956 0.684 0.900 0.700 CB 1.441 11 residues pruned to eliminate duplicates Z: 10 14.824 1.978 0.626 0.663 0.778 0.778 C 1.698 10 residues pruned to eliminate duplicates Z: 8 8.266 1.692 0.687 0.606 0.857 0.571 CB 1.154 8 residues pruned to eliminate duplicates Z: 9 7.005 1.836 0.561 0.480 0.750 0.625 CB 1.176 9 residues pruned to eliminate duplicates Z: 14 5.202 1.721 0.496 0.347 0.615 0.462 CB 1.076 14 residues pruned to eliminate duplicates Z: 9 5.524 1.797 0.551 0.462 0.625 0.625 CB 1.166 9 residues pruned to eliminate duplicates Z: 12 3.687 1.635 0.678 0.430 0.455 0.455 CB 0.958 12 residues pruned to eliminate duplicates Z: 9 6.839 1.529 0.993 0.523 0.875 0.500 CB 0.887 9 residues pruned to eliminate duplicates Z: 17 19.088 2.070 0.912 0.533 0.875 0.688 CB 1.333 17 residues pruned to eliminate duplicates Z: 111 83.131 2.399 1.051 0.569 0.945 0.691 CB 1.594 111 residues pruned to eliminate duplicates Z: 116 71.609 2.352 0.943 0.563 0.887 0.600 CB 1.550 116 residues pruned to eliminate duplicates Z: 31 34.008 2.308 0.791 0.695 0.833 0.700 CB 1.509 31 residues pruned to eliminate duplicates Z: 30 35.997 2.336 0.693 0.740 0.828 0.690 CB 1.647 30 residues pruned to eliminate duplicates Z: 21 42.377 2.368 0.747 0.840 0.950 0.850 CA 1.798 21 residues pruned to eliminate duplicates Z: 23 36.736 2.297 0.724 0.754 0.955 0.682 CB 1.652 23 residues pruned to eliminate duplicates Z: 20 44.714 2.346 0.864 0.849 1.000 0.789 CA 1.739 20 residues pruned to eliminate duplicates Z: 22 37.130 2.329 0.933 0.732 0.905 0.714 CA 1.615 22 residues pruned to eliminate duplicates Z: 46 50.303 2.372 0.834 0.618 0.911 0.578 CB 1.693 46 residues pruned to eliminate duplicates Z: 21 38.949 2.361 0.776 0.815 0.950 0.650 CA 1.662 21 residues pruned to eliminate duplicates Z: 21 55.025 2.377 1.060 0.874 1.000 0.650 CA 1.829 21 residues pruned to eliminate duplicates Z: 33 58.553 2.463 0.983 0.691 0.969 0.656 CB 1.837 33 residues pruned to eliminate duplicates Z: 19 54.219 2.421 1.095 0.875 1.000 0.611 CA 1.832 19 residues pruned to eliminate duplicates Z: 19 54.324 2.490 1.011 0.896 1.000 0.611 CB 1.832 19 residues pruned to eliminate duplicates Z: 22 39.620 2.289 0.917 0.827 0.905 0.714 CB 1.641 22 residues pruned to eliminate duplicates Z: 126 81.144 2.394 0.866 0.600 0.888 0.552 CB 1.663 126 residues pruned to eliminate duplicates Z: 73 58.855 2.282 0.820 0.632 0.944 0.556 CB 1.563 28 residues pruned to eliminate duplicates Z: 19 56.800 2.442 1.152 0.953 1.000 0.722 CB 1.753 19 residues pruned to eliminate duplicates Z: 22 46.510 2.164 1.284 0.761 0.952 0.286 CA 1.711 22 residues pruned to eliminate duplicates Z: 22 41.046 2.209 1.158 0.771 0.905 0.524 CB 1.634 22 residues pruned to eliminate duplicates Z: 20 50.598 2.276 1.214 0.857 1.000 0.474 CA 1.698 20 residues pruned to eliminate duplicates Z: 23 41.053 2.196 1.177 0.734 0.909 0.318 CB 1.632 23 residues pruned to eliminate duplicates Z: 35 50.767 2.276 1.082 0.713 0.941 0.471 CB 1.609 35 residues pruned to eliminate duplicates Z: 34 56.055 2.391 1.028 0.700 0.970 0.545 CB 1.730 34 residues pruned to eliminate duplicates Z: 14 29.456 2.402 0.928 0.544 0.923 0.846 CB 1.830 14 residues pruned to eliminate duplicates Z: 32 55.108 2.364 0.966 0.705 0.968 0.710 CA 1.827 32 residues pruned to eliminate duplicates Z: 36 46.257 2.319 1.052 0.667 0.914 0.543 CB 1.540 36 residues pruned to eliminate duplicates Z: 14 23.148 2.413 0.810 0.473 0.923 0.462 CB 1.636 14 residues pruned to eliminate duplicates Z: 15 29.433 2.322 1.163 0.505 1.000 0.500 CB 1.559 15 residues pruned to eliminate duplicates Z: 23 26.109 2.196 1.016 0.502 0.864 0.500 CB 1.454 23 residues pruned to eliminate duplicates Z: 12 38.814 2.554 1.023 0.598 1.000 0.455 CA 2.063 12 residues pruned to eliminate duplicates Z: 38 48.103 2.301 1.017 0.613 0.892 0.405 CB 1.717 38 residues pruned to eliminate duplicates Z: 20 22.835 2.163 0.949 0.476 0.895 0.421 CB 1.423 20 residues pruned to eliminate duplicates Z: 39 38.275 2.213 0.684 0.587 0.895 0.632 CB 1.713 39 residues pruned to eliminate duplicates Z: 46 48.889 2.275 1.004 0.581 0.867 0.467 CB 1.706 46 residues pruned to eliminate duplicates Z: 27 32.036 2.402 0.846 0.490 0.846 0.500 CB 1.691 27 residues pruned to eliminate duplicates Z: 27 27.860 2.316 0.730 0.510 0.923 0.654 CB 1.463 27 residues pruned to eliminate duplicates Z: 16 26.233 2.255 0.982 0.562 0.800 0.533 CB 1.783 16 residues pruned to eliminate duplicates Z: 19 30.400 2.283 1.083 0.684 0.889 0.556 CB 1.432 19 residues pruned to eliminate duplicates Z: 12 20.405 2.276 0.928 0.610 0.818 0.636 CB 1.544 12 residues pruned to eliminate duplicates Z: 170 73.028 2.237 0.781 0.472 0.905 0.538 CB 1.602 170 residues pruned to eliminate duplicates Z: 12 26.341 2.285 0.925 0.611 1.000 0.636 CB 1.626 12 residues pruned to eliminate duplicates Z: 11 19.588 2.297 0.806 0.630 0.900 0.500 CB 1.468 11 residues pruned to eliminate duplicates Z: 13 14.319 2.116 0.658 0.412 0.833 0.500 CB 1.550 13 residues pruned to eliminate duplicates Z: 12 25.382 2.445 0.753 0.665 0.909 0.636 CB 1.686 12 residues pruned to eliminate duplicates Z: 12 17.923 2.200 1.006 0.597 0.818 0.545 CB 1.364 12 residues pruned to eliminate duplicates Z: 6 15.133 2.449 1.608 0.454 0.800 0.600 CB 1.389 6 residues pruned to eliminate duplicates Z: 262 102.120 2.321 0.931 0.479 0.908 0.594 CB 1.586 262 residues pruned to eliminate duplicates Z: 85 81.344 2.519 1.105 0.584 0.905 0.583 CB 1.707 85 residues pruned to eliminate duplicates Z: 124 78.830 2.373 0.911 0.553 0.911 0.593 CB 1.635 73 residues pruned to eliminate duplicates Z: 6 2.208 1.978 1.052 0.369 0.800 0.400 CB 0.350 Z: 6 8.128 2.019 1.379 0.277 0.800 0.600 CA 1.217 6 residues pruned to eliminate duplicates Z: 6 18.717 2.074 1.752 0.470 1.000 0.600 C 1.512 5 residues pruned to eliminate duplicates Z: 6 4.657 1.499 0.904 0.376 0.800 0.800 N 1.042 6 residues pruned to eliminate duplicates Z: 85 75.899 2.505 1.035 0.601 0.869 0.560 CB 1.698 92 residues pruned to eliminate duplicates Z: 98 71.807 2.412 1.021 0.543 0.887 0.577 CB 1.617 98 residues pruned to eliminate duplicates Z: 107 80.097 2.432 0.952 0.586 0.925 0.585 CB 1.632 107 residues pruned to eliminate duplicates Z: 113 85.833 2.467 0.967 0.598 0.911 0.580 CB 1.672 113 residues pruned to eliminate duplicates Z: 94 71.637 2.427 1.038 0.543 0.892 0.602 CB 1.613 94 residues pruned to eliminate duplicates Z: 106 71.506 2.413 0.950 0.550 0.886 0.600 CB 1.595 106 residues pruned to eliminate duplicates Z: 99 70.329 2.426 0.930 0.526 0.908 0.582 CB 1.628 99 residues pruned to eliminate duplicates Z: 85 74.835 2.490 1.047 0.597 0.869 0.440 CB 1.680 85 residues pruned to eliminate duplicates Z: 90 73.279 2.483 1.009 0.559 0.854 0.562 CB 1.721 90 residues pruned to eliminate duplicates Z: 95 76.686 2.419 1.064 0.565 0.915 0.521 CB 1.626 85 residues pruned to eliminate duplicates Z: 20 62.636 2.446 1.425 0.915 1.000 0.684 CB 1.713 20 residues pruned to eliminate duplicates Z: 69 72.995 2.542 1.213 0.538 0.897 0.647 CB 1.691 77 residues pruned to eliminate duplicates Z: 21 62.843 2.381 1.516 0.936 0.950 0.800 CB 1.719 21 residues pruned to eliminate duplicates Z: 120 77.383 2.355 0.917 0.555 0.933 0.588 CB 1.597 107 residues pruned to eliminate duplicates Z: 21 61.933 2.373 1.380 0.931 1.000 0.800 CB 1.714 21 residues pruned to eliminate duplicates Z: 113 69.119 2.359 0.888 0.510 0.893 0.554 CB 1.627 113 residues pruned to eliminate duplicates Z: 91 80.196 2.484 1.088 0.580 0.922 0.656 CB 1.636 91 residues pruned to eliminate duplicates Z: 40 60.050 2.518 1.249 0.651 0.923 0.718 CB 1.599 40 residues pruned to eliminate duplicates Z: 73 67.774 2.472 0.954 0.598 0.861 0.597 CB 1.748 73 residues pruned to eliminate duplicates Z: 83 79.182 2.540 1.060 0.610 0.890 0.585 CB 1.691 83 residues pruned to eliminate duplicates Z: 260 103.473 2.323 0.914 0.500 0.896 0.587 CB 1.615 260 residues pruned to eliminate duplicates Z: 106 68.688 2.367 0.915 0.539 0.886 0.581 CB 1.606 106 residues pruned to eliminate duplicates Z: 58 67.819 2.590 1.136 0.559 0.895 0.649 CB 1.714 58 residues pruned to eliminate duplicates Z: 112 74.746 2.400 0.982 0.512 0.901 0.577 CB 1.636 112 residues pruned to eliminate duplicates Z: 84 68.906 2.486 0.962 0.589 0.855 0.590 CB 1.665 84 residues pruned to eliminate duplicates Z: 85 78.448 2.498 1.014 0.601 0.940 0.631 CB 1.642 85 residues pruned to eliminate duplicates Z: 95 73.972 2.427 0.953 0.586 0.894 0.596 CB 1.658 95 residues pruned to eliminate duplicates Z: 107 74.447 2.401 0.900 0.564 0.906 0.642 CB 1.645 107 residues pruned to eliminate duplicates Z: 66 76.145 2.596 1.117 0.570 0.923 0.615 CB 1.740 66 residues pruned to eliminate duplicates Z: 54 67.063 2.563 1.044 0.570 0.925 0.642 CB 1.778 54 residues pruned to eliminate duplicates Z: 54 68.542 2.584 1.048 0.583 0.906 0.585 CB 1.814 54 residues pruned to eliminate duplicates Z: 98 73.167 2.406 0.878 0.572 0.938 0.722 CB 1.635 98 residues pruned to eliminate duplicates Z: 109 78.014 2.405 0.919 0.542 0.926 0.676 CB 1.685 109 residues pruned to eliminate duplicates Z: 85 79.744 2.505 1.045 0.600 0.905 0.619 CB 1.706 85 residues pruned to eliminate duplicates Z: 122 78.898 2.352 0.935 0.556 0.909 0.595 CB 1.641 122 residues pruned to eliminate duplicates Z: 80 72.952 2.499 0.924 0.607 0.899 0.620 CB 1.716 80 residues pruned to eliminate duplicates Z: 53 77.198 2.565 1.294 0.597 0.962 0.712 CB 1.724 53 residues pruned to eliminate duplicates Z: 84 82.396 2.514 1.052 0.609 0.916 0.675 CB 1.725 84 residues pruned to eliminate duplicates Z: 92 74.068 2.446 0.947 0.553 0.901 0.615 CB 1.717 92 residues pruned to eliminate duplicates Z: 67 76.004 2.564 1.152 0.577 0.939 0.621 CB 1.676 67 residues pruned to eliminate duplicates Z: 68 85.387 2.579 1.315 0.567 0.955 0.642 CB 1.714 68 residues pruned to eliminate duplicates Z: 84 81.615 2.523 0.996 0.621 0.928 0.590 CB 1.711 84 residues pruned to eliminate duplicates Z: 84 78.317 2.507 0.976 0.585 0.928 0.614 CB 1.724 84 residues pruned to eliminate duplicates Z: 101 73.826 2.444 0.945 0.553 0.910 0.600 CB 1.621 101 residues pruned to eliminate duplicates Z: 106 74.735 2.401 0.907 0.564 0.895 0.629 CB 1.672 106 residues pruned to eliminate duplicates Z: 32 32.821 2.288 0.700 0.564 0.871 0.452 CB 1.635 32 residues pruned to eliminate duplicates Z: 87 79.779 2.492 1.049 0.594 0.907 0.581 CB 1.699 87 residues pruned to eliminate duplicates Z: 85 76.478 2.468 0.944 0.599 0.940 0.655 CB 1.683 85 residues pruned to eliminate duplicates Z: 59 41.802 2.166 0.664 0.532 0.931 0.500 CB 1.585 59 residues pruned to eliminate duplicates Z: 100 72.822 2.421 0.947 0.561 0.919 0.576 CB 1.593 100 residues pruned to eliminate duplicates Z: 84 85.972 2.526 1.068 0.592 0.952 0.651 CB 1.738 84 residues pruned to eliminate duplicates Z: 33 42.017 2.386 0.781 0.604 0.906 0.469 CB 1.747 33 residues pruned to eliminate duplicates Z: 211 92.573 2.322 0.837 0.487 0.952 0.605 CB 1.593 211 residues pruned to eliminate duplicates Z: 85 80.811 2.521 1.057 0.596 0.905 0.679 CB 1.715 85 residues pruned to eliminate duplicates Z: 104 70.947 2.396 0.995 0.540 0.903 0.621 CB 1.557 104 residues pruned to eliminate duplicates Z: 46 40.217 2.238 0.634 0.568 0.956 0.711 CB 1.607 46 residues pruned to eliminate duplicates Z: 36 37.126 2.323 0.856 0.552 0.886 0.543 CB 1.562 36 residues pruned to eliminate duplicates Z: 33 43.713 2.410 0.786 0.627 0.938 0.625 CB 1.700 33 residues pruned to eliminate duplicates Z: 34 46.206 2.337 0.878 0.599 0.939 0.606 CB 1.775 34 residues pruned to eliminate duplicates Z: 71 77.676 2.477 1.010 0.627 0.957 0.643 CB 1.729 71 residues pruned to eliminate duplicates Z: 84 85.061 2.517 1.104 0.600 0.940 0.675 CB 1.706 84 residues pruned to eliminate duplicates Z: 47 40.905 2.238 0.659 0.526 0.978 0.565 CB 1.619 47 residues pruned to eliminate duplicates Z: 88 68.163 2.398 0.872 0.576 0.943 0.621 CB 1.606 88 residues pruned to eliminate duplicates Z: 86 79.996 2.492 1.004 0.606 0.941 0.729 CB 1.669 86 residues pruned to eliminate duplicates Z: 106 79.717 2.396 1.022 0.552 0.952 0.600 CB 1.603 106 residues pruned to eliminate duplicates Z: 85 84.420 2.517 1.046 0.603 0.952 0.655 CB 1.703 85 residues pruned to eliminate duplicates Z: 51 39.677 2.229 0.680 0.551 0.940 0.620 CB 1.516 51 residues pruned to eliminate duplicates Z: 102 81.924 2.436 1.015 0.577 0.950 0.693 CB 1.623 102 residues pruned to eliminate duplicates Z: 104 74.256 2.402 1.002 0.557 0.932 0.650 CB 1.545 104 residues pruned to eliminate duplicates Z: 87 46.987 2.186 0.708 0.484 0.895 0.558 CB 1.541 87 residues pruned to eliminate duplicates Z: 37 39.381 2.279 0.806 0.560 0.972 0.611 CB 1.548 37 residues pruned to eliminate duplicates Z: 68 52.333 2.348 0.823 0.519 0.925 0.597 CB 1.584 68 residues pruned to eliminate duplicates Z: 196 89.235 2.297 0.868 0.511 0.933 0.621 CB 1.577 196 residues pruned to eliminate duplicates Z: 100 73.269 2.384 0.964 0.569 0.919 0.606 CB 1.600 100 residues pruned to eliminate duplicates Z: 204 80.345 2.262 0.770 0.462 0.936 0.552 CB 1.565 204 residues pruned to eliminate duplicates Z: 101 79.571 2.421 1.019 0.562 0.950 0.670 CB 1.614 101 residues pruned to eliminate duplicates Z: 59 47.468 2.267 0.791 0.483 0.931 0.655 CB 1.678 59 residues pruned to eliminate duplicates Z: 111 79.234 2.399 0.988 0.549 0.918 0.673 CB 1.644 111 residues pruned to eliminate duplicates Z: 56 42.708 2.229 0.725 0.524 0.964 0.600 CB 1.518 56 residues pruned to eliminate duplicates Z: 61 43.963 2.227 0.746 0.494 0.950 0.583 CB 1.546 61 residues pruned to eliminate duplicates Z: 18 12.319 1.853 0.752 0.376 0.824 0.529 CB 1.276 18 residues pruned to eliminate duplicates Z: 47 38.048 2.218 0.845 0.538 0.870 0.522 CB 1.518 47 residues pruned to eliminate duplicates Z: 18 9.555 1.906 0.289 0.420 0.882 0.294 CB 1.161 18 residues pruned to eliminate duplicates Z: 134 78.085 2.292 0.915 0.542 0.940 0.669 CB 1.575 134 residues pruned to eliminate duplicates Z: 72 38.628 2.120 0.696 0.510 0.873 0.606 CB 1.447 72 residues pruned to eliminate duplicates Z: 48 44.188 2.232 0.756 0.537 0.957 0.660 CB 1.656 48 residues pruned to eliminate duplicates Z: 71 41.952 2.142 0.649 0.486 0.943 0.686 CB 1.527 71 residues pruned to eliminate duplicates Z: 120 78.949 2.342 0.894 0.559 0.950 0.714 CB 1.622 120 residues pruned to eliminate duplicates Z: 8 13.625 2.414 0.674 0.343 0.857 0.714 CB 1.764 18 residues pruned to eliminate duplicates Z: 6 5.536 1.977 0.247 0.464 0.800 0.400 CB 1.302 6 residues pruned to eliminate duplicates Z: 18 21.507 2.157 0.508 0.519 1.000 0.529 CB 1.574 13 residues pruned to eliminate duplicates Z: 7 12.487 2.317 0.549 0.480 1.000 0.833 CB 1.449 7 residues pruned to eliminate duplicates Z: 35 22.980 1.962 0.483 0.536 0.941 0.647 CB 1.389 35 residues pruned to eliminate duplicates Z: 32 23.863 1.991 0.602 0.567 0.903 0.710 CB 1.394 32 residues pruned to eliminate duplicates Z: 159 72.914 2.281 0.811 0.462 0.937 0.601 CB 1.558 159 residues pruned to eliminate duplicates Z: 17 19.923 2.182 0.534 0.458 0.938 0.750 CA 1.657 19 residues pruned to eliminate duplicates Z: 19 13.635 1.748 0.359 0.671 0.889 0.722 CB 1.299 19 residues pruned to eliminate duplicates Z: 33 26.276 2.000 0.643 0.578 0.969 0.781 CB 1.355 33 residues pruned to eliminate duplicates Z: 37 24.387 1.942 0.580 0.521 0.917 0.667 CB 1.416 37 residues pruned to eliminate duplicates Z: 40 23.665 1.920 0.610 0.535 0.897 0.692 CB 1.320 40 residues pruned to eliminate duplicates Z: 19 16.906 1.931 0.648 0.618 0.889 0.667 CB 1.259 19 residues pruned to eliminate duplicates Z: 30 26.476 2.038 0.599 0.584 0.966 0.655 CB 1.442 30 residues pruned to eliminate duplicates Z: 116 59.712 2.253 0.798 0.453 0.922 0.583 CB 1.564 116 residues pruned to eliminate duplicates Z: 41 22.045 1.908 0.549 0.510 0.900 0.600 CB 1.298 41 residues pruned to eliminate duplicates Z: 30 27.008 2.006 0.740 0.595 0.931 0.690 CB 1.410 30 residues pruned to eliminate duplicates Z: 33 27.848 1.995 0.745 0.587 0.969 0.750 CB 1.343 33 residues pruned to eliminate duplicates Z: 164 73.437 2.252 0.852 0.467 0.933 0.546 CB 1.530 164 residues pruned to eliminate duplicates Z: 86 42.980 2.108 0.660 0.505 0.894 0.647 CB 1.483 86 residues pruned to eliminate duplicates Z: 54 31.498 2.020 0.746 0.556 0.887 0.623 CB 1.311 54 residues pruned to eliminate duplicates Z: 34 24.779 1.961 0.647 0.523 0.909 0.727 CB 1.437 34 residues pruned to eliminate duplicates Z: 36 20.941 1.858 0.596 0.522 0.886 0.543 CB 1.319 36 residues pruned to eliminate duplicates Z: 39 16.715 1.836 0.536 0.454 0.789 0.447 CB 1.277 39 residues pruned to eliminate duplicates Z: 39 24.062 1.896 0.697 0.512 0.895 0.579 CB 1.339 39 residues pruned to eliminate duplicates Z: 8 4.949 1.479 0.513 0.400 0.857 0.571 CA 1.084 8 residues pruned to eliminate duplicates Z: 143 66.670 2.308 0.839 0.398 0.894 0.528 CB 1.640 182 residues pruned to eliminate duplicates Z: 6 4.266 1.618 0.312 0.300 1.000 0.800 N 1.124 6 residues pruned to eliminate duplicates Z: 79 59.315 2.387 0.871 0.424 0.923 0.641 CB 1.764 79 residues pruned to eliminate duplicates Z: 127 72.780 2.317 0.990 0.451 0.905 0.556 CB 1.635 127 residues pruned to eliminate duplicates Z: 62 47.613 2.330 0.754 0.477 0.934 0.623 CB 1.634 62 residues pruned to eliminate duplicates Z: 123 70.604 2.353 0.932 0.451 0.893 0.566 CB 1.655 123 residues pruned to eliminate duplicates Z: 76 57.973 2.415 0.868 0.449 0.920 0.613 CB 1.700 76 residues pruned to eliminate duplicates Z: 79 57.824 2.376 0.841 0.438 0.923 0.641 CB 1.729 79 residues pruned to eliminate duplicates Z: 114 67.132 2.386 0.894 0.411 0.920 0.575 CB 1.667 114 residues pruned to eliminate duplicates Z: 70 52.374 2.359 0.829 0.425 0.913 0.565 CB 1.730 70 residues pruned to eliminate duplicates Z: 159 76.921 2.276 0.877 0.458 0.924 0.652 CB 1.619 159 residues pruned to eliminate duplicates Z: 91 50.669 2.272 0.798 0.411 0.889 0.567 CB 1.613 91 residues pruned to eliminate duplicates Z: 76 62.654 2.428 0.853 0.470 0.947 0.560 CB 1.751 76 residues pruned to eliminate duplicates Z: 122 73.620 2.370 0.964 0.454 0.901 0.570 CB 1.673 122 residues pruned to eliminate duplicates Z: 123 71.019 2.367 0.905 0.442 0.918 0.598 CB 1.650 123 residues pruned to eliminate duplicates Z: 78 57.743 2.402 0.814 0.418 0.961 0.649 CB 1.711 78 residues pruned to eliminate duplicates Z: 135 72.270 2.321 0.877 0.452 0.925 0.612 CB 1.628 135 residues pruned to eliminate duplicates Z: 118 63.622 2.238 0.787 0.456 0.966 0.581 CB 1.593 118 residues pruned to eliminate duplicates Z: 77 61.016 2.415 0.881 0.438 0.934 0.632 CB 1.758 77 residues pruned to eliminate duplicates Z: 131 69.662 2.305 0.912 0.448 0.923 0.538 CB 1.584 131 residues pruned to eliminate duplicates Z: 77 58.485 2.388 0.858 0.456 0.921 0.592 CB 1.718 77 residues pruned to eliminate duplicates Z: 61 47.452 2.291 0.767 0.492 0.933 0.617 CB 1.635 61 residues pruned to eliminate duplicates Z: 87 54.658 2.310 0.790 0.427 0.919 0.570 CB 1.674 87 residues pruned to eliminate duplicates Z: 84 56.620 2.339 0.805 0.443 0.940 0.614 CB 1.662 84 residues pruned to eliminate duplicates Z: 133 68.868 2.302 0.888 0.428 0.939 0.591 CB 1.582 133 residues pruned to eliminate duplicates Z: 80 55.170 2.352 0.845 0.430 0.899 0.608 CB 1.711 80 residues pruned to eliminate duplicates Z: 59 47.783 2.343 0.690 0.504 0.931 0.569 CB 1.695 59 residues pruned to eliminate duplicates Z: 40 38.562 2.229 0.683 0.548 0.949 0.667 CB 1.654 40 residues pruned to eliminate duplicates Z: 119 69.190 2.351 0.878 0.443 0.924 0.559 CB 1.656 119 residues pruned to eliminate duplicates Z: 108 64.159 2.358 0.892 0.429 0.907 0.551 CB 1.652 108 residues pruned to eliminate duplicates Z: 121 70.896 2.375 0.863 0.448 0.917 0.608 CB 1.684 121 residues pruned to eliminate duplicates Z: 114 76.955 2.429 0.986 0.432 0.929 0.619 CB 1.733 114 residues pruned to eliminate duplicates Z: 122 72.592 2.359 0.956 0.437 0.917 0.603 CB 1.663 122 residues pruned to eliminate duplicates Z: 65 50.145 2.342 0.738 0.458 0.938 0.578 CB 1.714 65 residues pruned to eliminate duplicates Z: 79 60.613 2.377 0.840 0.425 0.974 0.654 CB 1.742 79 residues pruned to eliminate duplicates Z: 80 58.441 2.387 0.843 0.416 0.924 0.557 CB 1.765 80 residues pruned to eliminate duplicates Z: 126 58.963 2.230 0.775 0.444 0.904 0.560 CB 1.560 126 residues pruned to eliminate duplicates Z: 122 72.041 2.370 0.956 0.443 0.901 0.595 CB 1.663 122 residues pruned to eliminate duplicates Z: 78 56.106 2.379 0.900 0.421 0.909 0.584 CB 1.689 78 residues pruned to eliminate duplicates Z: 78 57.802 2.374 0.867 0.441 0.909 0.571 CB 1.737 78 residues pruned to eliminate duplicates Z: 68 49.593 2.408 0.989 0.315 0.925 0.552 CB 1.678 68 residues pruned to eliminate duplicates Z: 124 69.611 2.345 0.901 0.428 0.911 0.577 CB 1.666 124 residues pruned to eliminate duplicates Z: 126 69.210 2.322 0.889 0.441 0.912 0.528 CB 1.645 126 residues pruned to eliminate duplicates Z: 83 59.770 2.432 0.865 0.422 0.927 0.622 CB 1.703 83 residues pruned to eliminate duplicates Z: 77 59.429 2.413 0.828 0.453 0.908 0.618 CB 1.785 77 residues pruned to eliminate duplicates Z: 84 55.846 2.324 0.852 0.430 0.916 0.627 CB 1.673 84 residues pruned to eliminate duplicates Z: 70 56.104 2.413 0.839 0.440 0.899 0.580 CB 1.801 70 residues pruned to eliminate duplicates Z: 125 61.780 2.262 0.842 0.426 0.887 0.605 CB 1.620 125 residues pruned to eliminate duplicates Z: 77 57.092 2.396 0.853 0.419 0.908 0.553 CB 1.767 77 residues pruned to eliminate duplicates Z: 31 32.761 2.449 1.207 0.281 0.867 0.633 CB 1.634 31 residues pruned to eliminate duplicates Z: 90 59.991 2.328 0.867 0.438 0.933 0.584 CB 1.672 90 residues pruned to eliminate duplicates Z: 75 49.845 2.302 0.781 0.427 0.905 0.595 CB 1.685 75 residues pruned to eliminate duplicates Z: 117 67.314 2.334 0.939 0.441 0.897 0.578 CB 1.637 117 residues pruned to eliminate duplicates Z: 33 34.179 2.400 1.108 0.320 0.844 0.594 CB 1.725 33 residues pruned to eliminate duplicates Z: 151 70.557 2.245 0.879 0.462 0.907 0.580 CB 1.566 151 residues pruned to eliminate duplicates Z: 123 76.691 2.359 0.983 0.448 0.951 0.549 CB 1.647 123 residues pruned to eliminate duplicates Z: 78 59.520 2.404 0.887 0.425 0.935 0.571 CB 1.729 78 residues pruned to eliminate duplicates Z: 113 61.518 2.268 0.772 0.455 0.929 0.598 CB 1.630 113 residues pruned to eliminate duplicates Z: 29 35.096 2.573 1.279 0.276 0.857 0.607 CB 1.700 29 residues pruned to eliminate duplicates Z: 69 48.573 2.298 1.042 0.379 0.912 0.588 CB 1.567 69 residues pruned to eliminate duplicates Z: 122 72.303 2.370 0.963 0.446 0.901 0.562 CB 1.658 122 residues pruned to eliminate duplicates Z: 30 42.189 2.472 1.149 0.375 1.000 0.621 CB 1.686 30 residues pruned to eliminate duplicates Z: 122 68.457 2.326 0.895 0.445 0.926 0.603 CB 1.615 122 residues pruned to eliminate duplicates Z: 77 57.146 2.374 0.826 0.447 0.921 0.592 CB 1.735 77 residues pruned to eliminate duplicates Z: 66 47.892 2.389 0.902 0.354 0.877 0.600 CB 1.745 66 residues pruned to eliminate duplicates Z: 29 29.899 2.534 1.204 0.269 0.821 0.679 CB 1.603 29 residues pruned to eliminate duplicates Z: 29 33.445 2.574 1.204 0.284 0.857 0.679 CB 1.657 29 residues pruned to eliminate duplicates Z: 57 47.726 2.275 1.117 0.443 0.893 0.571 CB 1.572 57 residues pruned to eliminate duplicates Z: 123 71.560 2.360 0.934 0.457 0.902 0.566 CB 1.645 123 residues pruned to eliminate duplicates Z: 10 22.005 2.440 1.066 0.265 1.000 0.556 CB 1.901 10 residues pruned to eliminate duplicates Z: 107 67.369 2.392 0.956 0.420 0.906 0.585 CB 1.680 107 residues pruned to eliminate duplicates Z: 55 51.923 2.326 1.143 0.450 0.926 0.593 CB 1.611 55 residues pruned to eliminate duplicates Z: 41 37.377 2.382 1.024 0.360 0.850 0.550 CB 1.677 41 residues pruned to eliminate duplicates Z: 123 73.210 2.363 0.998 0.447 0.910 0.590 CB 1.630 123 residues pruned to eliminate duplicates Z: 55 50.098 2.333 1.082 0.459 0.907 0.519 CB 1.612 55 residues pruned to eliminate duplicates Z: 59 47.391 2.285 1.089 0.431 0.897 0.569 CB 1.563 59 residues pruned to eliminate duplicates Z: 113 70.648 2.408 0.926 0.427 0.911 0.536 CB 1.705 113 residues pruned to eliminate duplicates Z: 55 48.508 2.340 1.076 0.459 0.889 0.574 CB 1.594 55 residues pruned to eliminate duplicates Z: 140 64.475 2.243 0.881 0.422 0.928 0.561 CB 1.514 140 residues pruned to eliminate duplicates Z: 19 20.651 2.351 0.935 0.291 0.778 0.444 CB 1.738 19 residues pruned to eliminate duplicates Z: 56 51.515 2.321 1.150 0.449 0.927 0.491 CB 1.581 56 residues pruned to eliminate duplicates Z: 116 73.657 2.404 0.952 0.423 0.939 0.574 CB 1.688 116 residues pruned to eliminate duplicates Z: 39 35.366 2.305 0.993 0.369 0.842 0.474 CB 1.707 39 residues pruned to eliminate duplicates Z: 111 61.572 2.344 0.841 0.409 0.891 0.545 CB 1.679 111 residues pruned to eliminate duplicates Z: 113 75.805 2.445 0.966 0.430 0.929 0.598 CB 1.725 113 residues pruned to eliminate duplicates Z: 70 54.919 2.432 1.079 0.357 0.899 0.565 CB 1.698 70 residues pruned to eliminate duplicates Z: 38 31.028 2.335 0.924 0.377 0.811 0.514 CB 1.597 38 residues pruned to eliminate duplicates Z: 75 42.919 2.263 0.979 0.391 0.865 0.595 CB 1.446 75 residues pruned to eliminate duplicates Z: 33 40.586 2.386 1.099 0.434 0.906 0.625 CB 1.693 33 residues pruned to eliminate duplicates Z: 40 43.797 2.277 1.039 0.529 0.949 0.564 CB 1.547 40 residues pruned to eliminate duplicates Z: 42 41.222 2.217 1.079 0.489 0.927 0.561 CB 1.523 42 residues pruned to eliminate duplicates Z: 31 30.743 2.291 0.971 0.340 0.867 0.433 CB 1.707 31 residues pruned to eliminate duplicates Z: 40 42.798 2.246 1.045 0.507 0.974 0.538 CB 1.521 40 residues pruned to eliminate duplicates Z: 33 41.826 2.419 1.056 0.431 0.938 0.562 CB 1.702 33 residues pruned to eliminate duplicates Z: 43 39.937 2.218 1.075 0.466 0.952 0.548 CB 1.455 43 residues pruned to eliminate duplicates Z: 133 67.884 2.274 0.865 0.436 0.955 0.538 CB 1.560 133 residues pruned to eliminate duplicates Z: 163 74.603 2.238 0.867 0.467 0.938 0.586 CB 1.547 163 residues pruned to eliminate duplicates Z: 126 54.701 2.206 0.856 0.384 0.912 0.528 CB 1.481 65 residues pruned to eliminate duplicates Z: 6 14.957 2.347 1.050 0.262 1.000 0.200 CB 1.825 6 residues pruned to eliminate duplicates Z: 42 39.312 2.218 1.039 0.465 0.902 0.488 CB 1.559 42 residues pruned to eliminate duplicates Z: 41 44.282 2.255 1.072 0.509 0.975 0.625 CB 1.524 41 residues pruned to eliminate duplicates Z: 29 29.834 2.182 1.162 0.440 0.893 0.429 CB 1.424 29 residues pruned to eliminate duplicates Z: 44 37.888 2.266 1.008 0.490 0.884 0.465 CB 1.452 44 residues pruned to eliminate duplicates Z: 123 69.268 2.355 0.933 0.446 0.893 0.582 CB 1.631 123 residues pruned to eliminate duplicates Z: 34 37.461 2.335 1.080 0.412 0.909 0.485 CB 1.620 34 residues pruned to eliminate duplicates Z: 161 72.602 2.242 0.863 0.464 0.925 0.575 CB 1.542 161 residues pruned to eliminate duplicates Z: 29 28.104 2.183 1.019 0.405 0.929 0.607 CB 1.434 29 residues pruned to eliminate duplicates Z: 56 48.610 2.308 0.898 0.471 0.945 0.545 CB 1.630 56 residues pruned to eliminate duplicates Z: 61 42.354 2.238 0.780 0.422 0.933 0.533 CB 1.595 61 residues pruned to eliminate duplicates Z: 59 45.457 2.307 0.947 0.443 0.862 0.517 CB 1.635 59 residues pruned to eliminate duplicates Z: 55 49.866 2.319 0.983 0.464 0.926 0.537 CB 1.652 55 residues pruned to eliminate duplicates Z: 37 29.742 2.109 0.704 0.494 0.889 0.500 CB 1.562 Z: 8 13.935 1.974 0.660 0.588 1.000 0.571 CA 1.477 8 residues pruned to eliminate duplicates Z: 37 32.529 2.115 0.817 0.486 0.917 0.556 CA 1.561 37 residues pruned to eliminate duplicates Z: 6 10.386 1.664 0.956 0.778 1.000 0.400 N 1.117 6 residues pruned to eliminate duplicates Z: 29 23.627 2.103 0.770 0.399 0.857 0.536 CB 1.557 29 residues pruned to eliminate duplicates Z: 51 29.964 2.012 0.727 0.422 0.900 0.540 CB 1.470 88 residues pruned to eliminate duplicates Z: 45 27.877 2.045 0.710 0.431 0.886 0.477 CB 1.456 Z: 6 5.819 1.721 0.656 0.349 0.800 0.600 CA 1.344 6 residues pruned to eliminate duplicates Z: 36 28.022 2.122 0.723 0.450 0.857 0.514 CB 1.590 46 residues pruned to eliminate duplicates Z: 6 4.773 1.602 0.946 0.314 0.800 0.800 CA 1.052 6 residues pruned to eliminate duplicates Z: 37 33.147 2.128 0.891 0.485 0.889 0.528 CA 1.569 36 residues pruned to eliminate duplicates 7 1.832 1.224 0.623 0.360 0.833 0.667 CB 0.525 ? Z: 6 4.120 1.561 0.553 0.255 0.800 0.600 CA 1.258 6 residues pruned to eliminate duplicates Z: 17 24.303 2.238 0.658 0.601 0.938 0.625 CB 1.586 17 residues pruned to eliminate duplicates Z: 18 20.199 2.186 0.707 0.552 0.882 0.647 CB 1.414 18 residues pruned to eliminate duplicates Z: 12 12.858 1.903 0.690 0.565 0.909 0.727 CA 1.245 12 residues pruned to eliminate duplicates 407 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 15 D: 341 E: 36 CC for partial structure against native data = 42.80 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.608, Connect. = 0.751 for dens.mod. cycle 1 = 0.302, Contrast = 0.702, Connect. = 0.780 for dens.mod. cycle 2 = 0.302, Contrast = 0.844, Connect. = 0.804 for dens.mod. cycle 3 = 0.302, Contrast = 0.863, Connect. = 0.807 for dens.mod. cycle 4 = 0.302, Contrast = 0.883, Connect. = 0.809 for dens.mod. cycle 5 = 0.302, Contrast = 0.890, Connect. = 0.810 for dens.mod. cycle 6 = 0.302, Contrast = 0.898, Connect. = 0.812 for dens.mod. cycle 7 = 0.302, Contrast = 0.901, Connect. = 0.813 for dens.mod. cycle 8 = 0.302, Contrast = 0.904, Connect. = 0.814 for dens.mod. cycle 9 = 0.302, Contrast = 0.905, Connect. = 0.814 for dens.mod. cycle 10 TimeTaking 274.38