++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:12:50 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: ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.ins Phases from ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.phi Native data from ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.hkl Listing output to ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.lst Phases output to ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.phs Poly-Ala trace output to ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.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: P 31 2 1 Allowed origin shift code: 10 44383 Reflections read from file ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.phi 44383 Reflections read from file ./2p8j-2.0-parrot-mrncs/2p8j-2.0-parrot-mrncs.hkl 44383 Unique data, highest resolution = 2.001 Angstroms Anisotropic scaling: intensities multiplied by -0.000079h^2 -0.000079k^2 +0.000043l^2 +0.000000kl +0.000000hl -0.000079hk 117 Reflections with d > 2.201 and 0 in range 2.201 > d > 2.001 added Density sharpening factor set to 0.75 Fourier grid = 128 x 128 x 41 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.729 = 0.300, Contrast = 0.536, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.653, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.846, Connect. = 0.750 for dens.mod. cycle 3 = 0.300, Contrast = 0.907, Connect. = 0.764 for dens.mod. cycle 4 = 0.300, Contrast = 0.937, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.952, Connect. = 0.779 for dens.mod. cycle 6 = 0.300, Contrast = 0.959, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.962, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.962, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.961, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1775 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 439 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 51.063 2.563 1.249 0.931 1.000 0.917 CB 1.788 B: 20 27.582 1.902 1.111 0.612 0.947 0.632 CB 1.496 C: 14 35.644 2.517 1.034 0.920 0.846 0.769 CA 1.608 14 residues pruned to eliminate duplicates D: 15 29.878 2.331 0.960 0.893 0.857 0.571 CA 1.464 15 residues pruned to eliminate duplicates E: 58 44.920 2.263 1.056 0.492 0.895 0.614 CB 1.440 F: 8 14.931 2.128 1.187 0.515 1.000 0.714 CB 1.195 8 residues pruned to eliminate duplicates G: 12 19.025 1.970 0.859 0.763 0.909 0.636 CA 1.364 H: 15 40.217 2.423 1.523 0.873 0.857 0.500 CB 1.494 13 residues pruned to eliminate duplicates I: 20 33.610 2.041 1.213 0.643 0.947 0.895 CB 1.576 13 residues pruned to eliminate duplicates J: 17 33.640 2.253 0.855 0.916 0.938 0.812 CB 1.516 17 residues pruned to eliminate duplicates K: 86 69.506 2.354 1.096 0.518 0.929 0.588 CB 1.615 53 residues pruned to eliminate duplicates L: 29 48.428 2.394 1.152 0.629 0.964 0.643 CB 1.631 15 residues pruned to eliminate duplicates M: 15 39.060 2.443 1.005 0.884 0.929 0.857 CA 1.658 15 residues pruned to eliminate duplicates N: 15 42.206 2.374 0.931 0.930 1.000 0.929 CB 1.721 15 residues pruned to eliminate duplicates O: 14 34.364 2.272 0.801 0.946 1.000 1.000 CB 1.611 P: 9 31.759 2.389 1.140 0.872 0.875 0.750 CB 1.830 12 residues pruned to eliminate duplicates Q: 16 34.385 2.350 0.721 0.934 0.933 0.933 CB 1.641 16 residues pruned to eliminate duplicates R: 19 32.320 2.184 0.740 0.869 0.944 0.833 CB 1.550 19 residues pruned to eliminate duplicates S: 55 38.643 2.128 1.135 0.444 0.907 0.574 CB 1.350 T: 15 16.177 2.007 0.285 0.801 0.857 0.786 CA 1.503 15 residues pruned to eliminate duplicates U: 31 34.217 2.240 0.995 0.566 0.900 0.500 CB 1.458 31 residues pruned to eliminate duplicates V: 14 34.912 2.407 0.989 0.869 0.923 0.615 CA 1.600 14 residues pruned to eliminate duplicates W: 34 47.282 2.316 1.137 0.593 0.909 0.576 CB 1.673 32 residues pruned to eliminate duplicates X: 17 37.864 2.257 1.217 0.871 0.875 0.500 CB 1.577 17 residues pruned to eliminate duplicates Y: 15 22.433 2.050 0.419 0.809 1.000 1.000 CA 1.574 15 residues pruned to eliminate duplicates Z: 15 43.151 2.329 1.294 0.905 0.929 0.571 CB 1.655 15 residues pruned to eliminate duplicates Z: 14 31.087 2.245 0.688 0.935 1.000 0.923 CB 1.585 14 residues pruned to eliminate duplicates Z: 16 42.024 2.300 1.077 0.896 1.000 0.867 CA 1.628 16 residues pruned to eliminate duplicates Z: 37 29.759 1.969 0.865 0.504 0.917 0.556 CB 1.467 Z: 14 44.576 2.537 0.981 0.936 1.000 0.846 CA 1.714 14 residues pruned to eliminate duplicates Z: 20 32.460 2.077 0.965 0.857 0.947 0.632 CB 1.420 20 residues pruned to eliminate duplicates Z: 9 21.541 2.125 0.829 0.846 0.875 0.625 CA 1.664 Z: 14 25.310 2.149 0.605 0.916 1.000 0.769 CA 1.437 14 residues pruned to eliminate duplicates Z: 28 38.103 2.119 1.097 0.588 0.963 0.741 CB 1.575 37 residues pruned to eliminate duplicates Z: 16 38.514 2.347 1.173 0.937 0.933 0.533 CB 1.454 16 residues pruned to eliminate duplicates Z: 15 36.275 2.389 0.849 0.933 0.929 0.786 CB 1.649 15 residues pruned to eliminate duplicates Z: 83 52.772 2.274 1.042 0.428 0.915 0.561 CB 1.478 93 residues pruned to eliminate duplicates Z: 15 34.067 2.146 0.910 0.924 1.000 0.857 CA 1.560 14 residues pruned to eliminate duplicates Z: 12 16.309 1.737 0.607 0.810 1.000 0.727 CB 1.345 11 residues pruned to eliminate duplicates Z: 33 46.732 2.217 1.063 0.580 0.969 0.688 CA 1.726 33 residues pruned to eliminate duplicates Z: 11 23.133 2.150 1.283 0.682 1.000 0.700 CB 1.261 11 residues pruned to eliminate duplicates Z: 14 8.551 1.867 0.298 0.395 0.769 0.462 O 1.422 Z: 8 24.188 2.392 0.598 0.890 1.000 0.857 CA 1.721 8 residues pruned to eliminate duplicates Z: 14 48.929 2.559 1.200 0.929 1.000 0.846 CA 1.686 19 residues pruned to eliminate duplicates Z: 22 26.258 2.167 0.851 0.567 0.810 0.714 CB 1.653 Z: 30 38.318 2.327 1.197 0.549 0.862 0.448 CB 1.539 30 residues pruned to eliminate duplicates Z: 23 24.942 2.093 0.842 0.632 0.955 0.727 CB 1.276 15 residues pruned to eliminate duplicates Z: 29 43.305 2.103 1.049 0.620 1.000 0.571 CB 1.696 28 residues pruned to eliminate duplicates Z: 15 32.796 2.379 0.697 0.851 1.000 0.714 CA 1.607 15 residues pruned to eliminate duplicates Z: 21 18.427 1.954 0.600 0.478 0.900 0.550 CB 1.497 21 residues pruned to eliminate duplicates Z: 8 11.550 1.766 0.979 0.813 1.000 0.286 CB 0.951 8 residues pruned to eliminate duplicates Z: 11 21.808 2.086 1.187 0.652 0.900 0.900 CB 1.458 11 residues pruned to eliminate duplicates Z: 7 9.481 1.956 0.305 0.838 0.833 0.833 CA 1.361 7 residues pruned to eliminate duplicates Z: 16 23.609 1.934 0.648 0.883 1.000 0.733 CA 1.382 16 residues pruned to eliminate duplicates Z: 36 30.579 2.303 1.034 0.391 0.886 0.571 CB 1.397 36 residues pruned to eliminate duplicates Z: 14 20.774 2.024 0.559 0.788 0.923 0.846 CA 1.536 14 residues pruned to eliminate duplicates Z: 30 36.629 2.030 0.987 0.581 1.000 0.621 CB 1.559 30 residues pruned to eliminate duplicates Z: 31 27.397 2.178 1.231 0.277 0.933 0.533 CB 1.419 31 residues pruned to eliminate duplicates Z: 20 20.006 2.098 1.074 0.435 0.895 0.632 CB 1.261 20 residues pruned to eliminate duplicates Z: 16 27.460 1.974 0.888 0.925 0.933 0.933 CA 1.431 16 residues pruned to eliminate duplicates Z: 11 19.089 2.109 0.825 0.806 0.800 0.800 CB 1.501 11 residues pruned to eliminate duplicates Z: 10 24.203 2.158 0.801 0.861 0.889 0.889 CA 1.716 10 residues pruned to eliminate duplicates Z: 19 42.224 2.155 1.261 0.724 1.000 1.000 CB 1.669 20 residues pruned to eliminate duplicates Z: 16 29.364 1.960 0.820 0.934 1.000 0.933 CA 1.482 16 residues pruned to eliminate duplicates Z: 17 29.519 1.930 0.973 0.918 0.938 0.812 CA 1.458 17 residues pruned to eliminate duplicates Z: 8 11.323 2.053 0.210 0.598 0.857 0.286 C 1.831 Z: 12 24.751 2.057 0.988 0.758 1.000 0.727 CA 1.451 12 residues pruned to eliminate duplicates Z: 63 58.712 2.334 1.187 0.451 0.935 0.645 CB 1.642 63 residues pruned to eliminate duplicates Z: 14 23.250 2.090 0.559 0.835 1.000 0.923 CA 1.482 14 residues pruned to eliminate duplicates Z: 10 19.751 1.976 0.559 0.909 1.000 0.778 CA 1.517 10 residues pruned to eliminate duplicates Z: 39 53.540 2.302 1.113 0.691 0.921 0.632 CB 1.628 39 residues pruned to eliminate duplicates Z: 10 18.188 1.896 0.505 0.847 1.000 0.556 CA 1.577 11 residues pruned to eliminate duplicates Z: 17 18.743 2.082 0.747 0.508 0.875 0.500 CB 1.461 Z: 11 17.781 1.945 0.467 0.814 1.000 0.700 CA 1.501 11 residues pruned to eliminate duplicates Z: 21 31.255 1.997 1.167 0.711 1.000 0.900 CB 1.334 21 residues pruned to eliminate duplicates Z: 10 26.234 2.216 1.047 0.663 1.000 1.000 CA 1.658 10 residues pruned to eliminate duplicates Z: 14 27.860 2.172 0.697 0.875 1.000 0.846 CB 1.526 15 residues pruned to eliminate duplicates Z: 56 48.695 2.373 0.981 0.536 0.873 0.673 CB 1.545 56 residues pruned to eliminate duplicates Z: 17 27.500 2.264 0.568 0.886 0.938 0.938 CB 1.490 17 residues pruned to eliminate duplicates Z: 24 21.050 1.965 0.719 0.539 0.913 0.739 CB 1.369 24 residues pruned to eliminate duplicates Z: 30 29.763 2.347 1.124 0.369 0.828 0.517 CB 1.541 30 residues pruned to eliminate duplicates Z: 25 22.510 1.935 0.692 0.559 0.958 0.667 CB 1.383 24 residues pruned to eliminate duplicates Z: 12 21.266 2.036 0.634 0.796 1.000 0.636 CA 1.487 12 residues pruned to eliminate duplicates Z: 12 12.964 2.010 0.494 0.767 0.909 0.636 CB 1.130 Z: 72 37.992 1.929 0.781 0.548 0.944 0.746 CB 1.327 Z: 85 55.432 2.264 0.904 0.508 0.881 0.536 CB 1.580 85 residues pruned to eliminate duplicates Z: 14 26.535 2.226 0.556 0.941 1.000 0.846 CA 1.474 14 residues pruned to eliminate duplicates Z: 29 33.195 2.101 0.998 0.625 0.893 0.679 CB 1.489 20 residues pruned to eliminate duplicates Z: 14 33.984 2.241 1.229 0.902 0.923 0.615 CB 1.458 14 residues pruned to eliminate duplicates Z: 8 23.111 2.434 0.740 0.871 0.857 0.857 CA 1.756 8 residues pruned to eliminate duplicates Z: 12 22.627 2.042 0.771 0.791 1.000 0.909 CB 1.462 12 residues pruned to eliminate duplicates Z: 17 33.936 2.258 1.262 0.905 0.875 0.562 CB 1.351 17 residues pruned to eliminate duplicates Z: 29 34.758 2.180 0.779 0.652 0.964 0.821 CB 1.526 30 residues pruned to eliminate duplicates Z: 14 31.004 2.263 0.770 0.937 0.923 0.846 CB 1.619 14 residues pruned to eliminate duplicates Z: 14 18.525 1.922 0.619 0.804 1.000 0.769 CB 1.267 14 residues pruned to eliminate duplicates Z: 17 29.011 1.885 1.031 0.897 0.938 0.812 CA 1.447 17 residues pruned to eliminate duplicates Z: 30 42.070 2.288 1.262 0.577 0.966 0.621 CB 1.451 30 residues pruned to eliminate duplicates Z: 13 19.428 1.945 0.755 0.832 1.000 0.750 CA 1.234 13 residues pruned to eliminate duplicates Z: 13 27.874 2.192 0.768 0.812 1.000 0.833 CA 1.582 13 residues pruned to eliminate duplicates Z: 19 27.009 2.088 0.561 0.913 0.944 0.833 CB 1.463 19 residues pruned to eliminate duplicates Z: 23 19.542 1.968 0.713 0.528 0.909 0.818 CB 1.323 23 residues pruned to eliminate duplicates Z: 18 27.085 2.209 0.384 0.926 1.000 0.941 CB 1.506 18 residues pruned to eliminate duplicates Z: 14 34.174 2.192 1.280 0.923 0.923 0.615 CB 1.443 14 residues pruned to eliminate duplicates Z: 12 22.353 2.045 0.790 0.779 1.000 0.636 CA 1.439 12 residues pruned to eliminate duplicates Z: 20 25.204 2.062 0.348 0.903 1.000 0.895 CB 1.483 20 residues pruned to eliminate duplicates Z: 11 14.490 1.929 0.334 0.925 1.000 0.900 CA 1.249 11 residues pruned to eliminate duplicates Z: 17 24.286 2.152 0.936 0.544 0.938 0.562 CB 1.489 17 residues pruned to eliminate duplicates Z: 30 32.905 2.059 0.856 0.581 0.966 0.655 CB 1.532 30 residues pruned to eliminate duplicates Z: 63 39.968 2.134 0.873 0.422 0.919 0.500 CB 1.498 66 residues pruned to eliminate duplicates Z: 29 32.545 2.087 0.797 0.609 0.964 0.643 CB 1.533 24 residues pruned to eliminate duplicates Z: 9 7.267 2.018 0.471 0.308 0.750 0.625 CB 1.429 9 residues pruned to eliminate duplicates Z: 6 6.756 1.934 1.082 0.708 0.600 0.600 CA 1.035 6 residues pruned to eliminate duplicates Z: 17 23.375 2.082 0.886 0.570 0.938 0.750 CB 1.484 16 residues pruned to eliminate duplicates Z: 12 17.731 2.014 0.645 0.787 0.909 0.727 CA 1.379 12 residues pruned to eliminate duplicates Z: 15 20.668 1.850 0.604 0.913 1.000 0.857 CB 1.318 15 residues pruned to eliminate duplicates Z: 28 40.775 2.136 0.995 0.636 1.000 0.778 CB 1.621 29 residues pruned to eliminate duplicates Z: 31 48.608 2.234 1.216 0.587 1.000 0.700 CB 1.649 31 residues pruned to eliminate duplicates Z: 7 7.680 1.778 1.239 0.554 0.833 0.500 CB 0.897 7 residues pruned to eliminate duplicates Z: 13 19.278 2.155 0.648 0.706 0.833 0.333 CB 1.559 13 residues pruned to eliminate duplicates Z: 8 9.640 1.817 0.901 0.555 0.857 0.714 CA 1.166 8 residues pruned to eliminate duplicates Z: 12 5.899 1.683 0.819 0.319 0.727 0.545 CB 0.975 Z: 51 35.290 2.085 0.839 0.483 0.920 0.660 CB 1.438 51 residues pruned to eliminate duplicates Z: 13 24.368 2.236 1.128 0.659 0.917 0.750 CB 1.391 13 residues pruned to eliminate duplicates Z: 16 24.000 1.933 0.904 0.922 1.000 0.800 CB 1.184 16 residues pruned to eliminate duplicates Z: 26 29.787 1.946 1.215 0.589 0.920 0.560 CB 1.379 26 residues pruned to eliminate duplicates Z: 16 27.131 1.970 1.046 0.922 0.933 0.800 CB 1.309 16 residues pruned to eliminate duplicates Z: 10 9.367 1.689 0.751 0.695 1.000 0.667 CB 0.883 Z: 62 53.934 2.342 1.058 0.492 0.902 0.639 CB 1.602 62 residues pruned to eliminate duplicates Z: 15 53.319 2.416 1.538 0.926 1.000 0.571 CB 1.630 15 residues pruned to eliminate duplicates Z: 31 30.772 2.014 0.859 0.582 0.900 0.800 CB 1.541 31 residues pruned to eliminate duplicates Z: 91 72.153 2.366 1.070 0.524 0.911 0.667 CB 1.664 91 residues pruned to eliminate duplicates Z: 8 3.117 1.665 0.191 0.522 0.714 0.429 CB 0.813 Z: 28 16.300 1.848 0.779 0.263 0.963 0.593 CB 1.298 28 residues pruned to eliminate duplicates Z: 14 13.518 1.966 0.478 0.540 0.923 0.615 CB 1.344 22 residues pruned to eliminate duplicates Z: 14 33.083 2.246 0.952 0.927 0.923 0.769 CB 1.589 14 residues pruned to eliminate duplicates Z: 13 18.597 2.020 0.810 0.633 0.917 0.917 CB 1.414 13 residues pruned to eliminate duplicates Z: 22 29.385 1.989 0.972 0.583 1.000 0.762 CB 1.510 22 residues pruned to eliminate duplicates Z: 19 30.229 2.126 0.518 0.893 1.000 0.611 CB 1.584 19 residues pruned to eliminate duplicates Z: 28 36.005 2.095 0.833 0.619 1.000 0.667 CB 1.613 28 residues pruned to eliminate duplicates Z: 22 26.220 2.063 0.800 0.710 1.000 0.857 CB 1.274 22 residues pruned to eliminate duplicates Z: 17 27.961 2.249 0.675 0.871 0.938 0.812 CB 1.443 17 residues pruned to eliminate duplicates Z: 139 69.048 2.219 1.001 0.486 0.899 0.623 CB 1.494 139 residues pruned to eliminate duplicates Z: 35 32.438 1.950 1.078 0.582 0.941 0.588 CB 1.349 35 residues pruned to eliminate duplicates Z: 33 30.827 2.087 0.823 0.564 0.938 0.750 CB 1.436 33 residues pruned to eliminate duplicates Z: 16 21.781 1.952 0.660 0.900 0.933 0.733 CB 1.328 16 residues pruned to eliminate duplicates Z: 11 20.849 2.081 0.782 0.786 0.900 0.600 CA 1.536 11 residues pruned to eliminate duplicates Z: 16 29.434 1.961 0.900 0.924 1.000 0.867 CA 1.432 16 residues pruned to eliminate duplicates Z: 15 23.905 1.841 0.857 0.918 1.000 0.929 CB 1.317 15 residues pruned to eliminate duplicates Z: 15 13.795 1.849 0.471 0.459 0.857 0.500 CB 1.650 15 residues pruned to eliminate duplicates Z: 15 21.367 1.843 0.675 0.915 1.000 0.929 CB 1.307 15 residues pruned to eliminate duplicates Z: 24 21.913 2.040 0.822 0.511 0.957 0.739 CB 1.271 24 residues pruned to eliminate duplicates Z: 9 22.960 2.129 0.914 0.873 0.875 0.875 CA 1.658 9 residues pruned to eliminate duplicates Z: 34 31.063 2.141 0.826 0.528 0.970 0.697 CB 1.387 30 residues pruned to eliminate duplicates Z: 34 41.807 2.112 1.061 0.594 0.909 0.667 CB 1.682 41 residues pruned to eliminate duplicates Z: 10 29.191 2.122 1.392 0.725 1.000 0.889 CA 1.565 9 residues pruned to eliminate duplicates Z: 16 16.575 1.940 0.562 0.919 0.933 0.733 CB 1.067 16 residues pruned to eliminate duplicates Z: 16 19.022 1.899 0.462 0.922 0.933 0.867 CA 1.334 16 residues pruned to eliminate duplicates Z: 17 33.581 2.213 1.054 0.835 0.938 0.750 CB 1.475 17 residues pruned to eliminate duplicates Z: 6 4.003 1.509 0.277 0.749 0.800 0.600 O 0.930 6 residues pruned to eliminate duplicates Z: 27 51.055 2.439 1.198 0.620 0.962 0.731 CB 1.735 23 residues pruned to eliminate duplicates Z: 24 23.854 2.156 0.904 0.543 0.957 0.652 CB 1.214 24 residues pruned to eliminate duplicates Z: 89 70.896 2.336 1.085 0.559 0.920 0.636 CB 1.591 89 residues pruned to eliminate duplicates Z: 8 32.222 2.362 0.999 0.889 1.000 1.000 CB 1.857 8 residues pruned to eliminate duplicates Z: 26 23.323 1.998 0.721 0.666 0.880 0.720 CB 1.322 26 residues pruned to eliminate duplicates Z: 8 6.049 1.972 -0.329 0.755 0.857 0.857 N 1.607 7 residues pruned to eliminate duplicates Z: 82 53.326 2.294 0.918 0.457 0.914 0.593 CB 1.540 82 residues pruned to eliminate duplicates Z: 8 4.053 1.784 -0.026 0.292 0.857 0.714 CB 1.298 Z: 11 9.493 1.882 0.510 0.477 0.800 0.500 O 1.352 11 residues pruned to eliminate duplicates Z: 44 46.980 2.266 0.926 0.559 0.977 0.744 CB 1.586 56 residues pruned to eliminate duplicates Z: 10 10.360 1.823 0.718 0.519 0.889 0.667 CB 1.217 12 residues pruned to eliminate duplicates Z: 41 20.583 1.788 0.620 0.457 0.925 0.675 CB 1.269 41 residues pruned to eliminate duplicates Z: 14 8.899 2.059 0.619 0.278 0.692 0.231 CB 1.374 14 residues pruned to eliminate duplicates Z: 25 26.772 2.090 0.986 0.606 0.917 0.750 CB 1.298 25 residues pruned to eliminate duplicates Z: 35 28.507 1.957 0.725 0.537 0.971 0.647 CB 1.438 35 residues pruned to eliminate duplicates Z: 13 20.273 2.039 1.227 0.450 1.000 0.583 CB 1.357 13 residues pruned to eliminate duplicates Z: 10 16.512 1.851 0.643 0.876 1.000 0.778 CA 1.315 10 residues pruned to eliminate duplicates Z: 10 4.629 1.848 0.234 0.475 0.667 0.333 CB 1.041 Z: 10 15.138 1.932 0.660 0.599 0.889 0.667 C 1.611 10 residues pruned to eliminate duplicates Z: 18 20.047 1.835 0.496 0.915 1.000 0.941 CA 1.252 18 residues pruned to eliminate duplicates Z: 15 18.975 1.802 0.628 0.848 1.000 0.714 CB 1.282 15 residues pruned to eliminate duplicates Z: 36 36.574 2.046 0.988 0.568 0.914 0.714 CB 1.557 36 residues pruned to eliminate duplicates Z: 16 16.167 2.045 0.954 0.337 0.867 0.533 CB 1.439 16 residues pruned to eliminate duplicates Z: 11 20.192 2.100 0.875 0.782 0.900 0.700 CA 1.405 11 residues pruned to eliminate duplicates Z: 17 24.557 2.139 0.877 0.514 0.938 0.688 CB 1.609 16 residues pruned to eliminate duplicates Z: 30 28.410 1.980 0.747 0.615 0.897 0.655 CB 1.525 30 residues pruned to eliminate duplicates Z: 15 22.621 1.915 0.725 0.852 1.000 0.857 CB 1.354 15 residues pruned to eliminate duplicates Z: 16 35.025 1.948 1.182 0.913 1.000 0.400 CB 1.507 16 residues pruned to eliminate duplicates Z: 13 21.926 1.971 0.770 0.824 0.917 0.750 CA 1.495 13 residues pruned to eliminate duplicates Z: 37 32.848 2.298 1.065 0.388 0.917 0.639 CB 1.417 37 residues pruned to eliminate duplicates Z: 13 9.944 1.756 0.553 0.389 0.917 0.333 CB 1.292 6 residues pruned to eliminate duplicates Z: 12 21.932 2.017 0.814 0.752 1.000 0.636 CA 1.444 12 residues pruned to eliminate duplicates Z: 27 19.708 2.140 0.829 0.393 0.808 0.500 CB 1.370 27 residues pruned to eliminate duplicates Z: 15 21.851 1.860 0.657 0.903 1.000 0.857 CB 1.351 15 residues pruned to eliminate duplicates Z: 16 32.830 1.952 1.116 0.937 1.000 0.733 CB 1.428 16 residues pruned to eliminate duplicates Z: 22 22.323 2.159 0.665 0.561 0.905 0.619 CB 1.411 22 residues pruned to eliminate duplicates Z: 16 23.655 1.958 0.981 0.884 0.933 0.667 CB 1.219 16 residues pruned to eliminate duplicates Z: 82 69.699 2.349 1.053 0.550 0.938 0.654 CB 1.630 84 residues pruned to eliminate duplicates Z: 16 19.983 1.960 0.482 0.920 1.000 0.733 CB 1.251 16 residues pruned to eliminate duplicates Z: 16 24.571 1.991 0.801 0.918 1.000 0.600 CB 1.248 16 residues pruned to eliminate duplicates Z: 10 15.964 2.000 0.500 0.918 0.889 0.667 CA 1.407 10 residues pruned to eliminate duplicates Z: 91 61.813 2.320 0.913 0.518 0.878 0.667 CB 1.643 91 residues pruned to eliminate duplicates Z: 8 2.713 1.607 -0.143 0.431 0.857 0.714 CB 0.934 Z: 6 3.767 1.766 -0.108 0.689 1.000 0.800 CB 0.899 Z: 15 21.650 1.948 0.717 0.897 1.000 0.714 CB 1.239 15 residues pruned to eliminate duplicates Z: 109 59.404 2.238 0.877 0.489 0.907 0.630 CB 1.515 109 residues pruned to eliminate duplicates Z: 7 3.559 1.734 0.633 0.391 0.667 0.500 CB 0.864 Z: 17 40.155 2.274 1.258 0.939 0.938 0.812 CB 1.449 17 residues pruned to eliminate duplicates Z: 11 14.967 1.776 0.663 0.867 0.900 0.700 CA 1.302 11 residues pruned to eliminate duplicates Z: 16 34.853 2.188 1.190 0.893 0.867 0.600 CB 1.555 16 residues pruned to eliminate duplicates Z: 6 2.740 1.726 0.182 0.213 0.600 0.600 CB 1.404 Z: 14 20.985 1.866 0.680 0.916 1.000 0.846 CB 1.311 14 residues pruned to eliminate duplicates Z: 17 9.969 1.920 0.088 0.540 0.938 0.500 CB 1.223 17 residues pruned to eliminate duplicates Z: 46 37.839 2.103 0.881 0.511 0.978 0.689 CB 1.442 46 residues pruned to eliminate duplicates Z: 30 32.246 2.133 0.824 0.587 0.966 0.793 CB 1.467 30 residues pruned to eliminate duplicates Z: 17 27.156 2.180 0.672 0.885 0.938 0.688 CB 1.434 17 residues pruned to eliminate duplicates Z: 11 20.579 2.015 0.916 0.803 0.900 0.600 CA 1.438 11 residues pruned to eliminate duplicates Z: 7 7.356 1.872 0.601 0.537 1.000 0.667 CB 0.966 Z: 15 19.095 1.771 0.626 0.876 1.000 0.714 CB 1.289 15 residues pruned to eliminate duplicates Z: 16 21.269 1.800 0.573 0.921 1.000 0.733 CB 1.365 16 residues pruned to eliminate duplicates Z: 48 26.747 1.899 0.750 0.547 0.872 0.553 CB 1.285 46 residues pruned to eliminate duplicates Z: 6 5.510 1.549 0.430 0.681 1.000 0.600 CB 0.942 Z: 8 5.214 1.707 0.540 0.542 0.857 0.857 CB 0.839 Z: 13 24.949 1.978 1.163 0.898 0.833 0.500 CB 1.445 13 residues pruned to eliminate duplicates Z: 29 38.010 2.057 1.052 0.606 0.964 0.679 CB 1.595 29 residues pruned to eliminate duplicates Z: 34 43.518 2.248 0.900 0.613 0.970 0.788 CB 1.643 34 residues pruned to eliminate duplicates Z: 6 9.249 1.677 0.689 0.789 0.800 0.600 O 1.416 6 residues pruned to eliminate duplicates Z: 47 37.374 2.078 0.781 0.605 0.935 0.696 CB 1.441 47 residues pruned to eliminate duplicates Z: 23 12.280 1.726 0.588 0.388 0.909 0.545 CB 1.184 23 residues pruned to eliminate duplicates Z: 10 27.191 2.012 0.958 0.869 1.000 0.778 CA 1.681 9 residues pruned to eliminate duplicates Z: 15 23.819 1.954 0.772 0.903 0.929 0.929 CA 1.411 15 residues pruned to eliminate duplicates Z: 16 24.895 1.952 0.992 0.914 1.000 0.667 CB 1.169 16 residues pruned to eliminate duplicates Z: 16 33.348 2.011 1.232 0.921 1.000 0.400 CB 1.350 16 residues pruned to eliminate duplicates Z: 8 14.390 2.208 1.308 0.455 0.857 0.857 CA 1.303 8 residues pruned to eliminate duplicates Z: 8 6.295 1.877 0.852 0.306 0.714 0.714 CB 1.188 7 residues pruned to eliminate duplicates Z: 7 3.549 1.546 0.281 0.405 0.667 0.333 C 1.213 Z: 27 24.678 2.159 0.955 0.314 0.923 0.615 CB 1.525 27 residues pruned to eliminate duplicates Z: 13 38.971 2.496 1.140 0.905 1.000 0.917 CA 1.499 13 residues pruned to eliminate duplicates Z: 10 17.994 1.805 0.797 0.841 1.000 0.556 CA 1.379 10 residues pruned to eliminate duplicates Z: 6 2.774 1.782 -0.154 0.415 0.800 0.400 CB 1.124 Z: 6 4.939 1.855 0.472 0.562 0.600 0.600 CB 1.269 6 residues pruned to eliminate duplicates 7 1.672 1.585 0.098 0.286 1.000 0.667 CB 0.499 ? Z: 7 8.564 1.582 0.631 0.617 1.000 0.833 CB 1.213 Z: 62 51.605 2.332 1.001 0.496 0.918 0.672 CB 1.548 62 residues pruned to eliminate duplicates Z: 17 15.744 1.870 0.287 0.883 1.000 0.812 CB 1.183 17 residues pruned to eliminate duplicates Z: 18 18.733 1.840 0.571 0.896 1.000 0.824 CB 1.126 18 residues pruned to eliminate duplicates Z: 44 47.610 2.188 0.903 0.561 0.953 0.721 CB 1.723 44 residues pruned to eliminate duplicates Z: 49 27.732 2.009 0.775 0.523 0.896 0.562 CB 1.224 51 residues pruned to eliminate duplicates Z: 76 37.139 1.960 0.834 0.487 0.893 0.600 CB 1.353 107 residues pruned to eliminate duplicates Z: 9 28.666 2.109 1.035 0.902 1.000 0.750 CA 1.685 Z: 6 12.776 2.068 0.666 0.770 1.000 0.800 CA 1.307 6 residues pruned to eliminate duplicates Z: 54 42.611 2.148 1.052 0.461 0.925 0.566 CB 1.494 54 residues pruned to eliminate duplicates Z: 6 6.408 1.497 0.654 0.573 1.000 0.800 CB 1.079 Z: 9 7.099 1.719 0.219 0.549 0.875 0.750 N 1.305 7 residues pruned to eliminate duplicates Z: 29 32.461 2.070 0.833 0.572 0.964 0.536 CB 1.565 29 residues pruned to eliminate duplicates Z: 17 20.343 1.945 0.636 0.909 0.938 0.812 CB 1.210 17 residues pruned to eliminate duplicates Z: 6 5.595 1.415 0.613 0.840 0.800 0.600 CB 1.023 Z: 21 29.966 2.035 1.154 0.609 0.950 0.750 CB 1.450 21 residues pruned to eliminate duplicates Z: 25 14.732 2.111 0.827 0.377 0.833 0.542 CB 1.068 25 residues pruned to eliminate duplicates Z: 20 31.144 2.090 1.034 0.695 1.000 0.789 CB 1.406 20 residues pruned to eliminate duplicates Z: 16 26.556 1.926 0.988 0.904 0.933 0.533 CB 1.367 16 residues pruned to eliminate duplicates Z: 15 19.217 1.814 0.527 0.907 1.000 0.786 CB 1.317 15 residues pruned to eliminate duplicates Z: 15 14.552 1.782 0.471 0.571 0.929 0.643 CA 1.492 15 residues pruned to eliminate duplicates Z: 17 18.628 1.844 0.456 0.860 1.000 0.812 CB 1.275 17 residues pruned to eliminate duplicates Z: 136 75.514 2.241 1.044 0.505 0.926 0.607 CB 1.525 136 residues pruned to eliminate duplicates Z: 11 10.308 1.858 0.921 0.499 0.800 0.700 CB 1.143 11 residues pruned to eliminate duplicates Z: 18 19.549 1.835 0.561 0.876 1.000 0.706 CB 1.203 18 residues pruned to eliminate duplicates Z: 32 23.113 1.874 0.816 0.563 0.871 0.516 CB 1.318 32 residues pruned to eliminate duplicates 7 1.676 1.578 0.676 0.245 0.500 0.500 CB 0.695 ? Z: 62 52.422 2.271 1.046 0.455 0.951 0.574 CB 1.590 62 residues pruned to eliminate duplicates Z: 11 19.557 1.986 0.875 0.834 0.900 0.700 CB 1.383 11 residues pruned to eliminate duplicates Z: 8 3.083 1.850 0.156 0.334 0.714 0.571 CB 0.915 7 residues pruned to eliminate duplicates Z: 20 21.827 1.883 0.834 0.604 0.947 0.842 CB 1.387 20 residues pruned to eliminate duplicates Z: 16 21.094 1.926 0.891 0.844 1.000 0.600 CB 1.113 16 residues pruned to eliminate duplicates Z: 19 30.326 2.270 1.110 0.413 0.944 0.500 CA 1.731 19 residues pruned to eliminate duplicates 7 1.148 1.611 0.327 0.202 0.833 0.667 CB 0.375 ? Z: 14 37.508 2.477 0.971 0.903 0.923 0.692 CA 1.646 Z: 8 7.102 1.711 0.672 0.320 0.857 0.714 CB 1.334 8 residues pruned to eliminate duplicates Z: 25 43.512 2.396 1.075 0.656 0.958 0.750 CA 1.612 15 residues pruned to eliminate duplicates Z: 12 18.360 1.998 0.596 0.806 1.000 0.818 CB 1.329 12 residues pruned to eliminate duplicates Z: 7 7.390 1.992 -0.054 0.556 1.000 0.667 CB 1.515 Z: 12 20.807 1.876 0.574 0.862 1.000 0.909 CB 1.560 12 residues pruned to eliminate duplicates Z: 28 28.500 1.976 0.894 0.553 0.926 0.741 CB 1.504 28 residues pruned to eliminate duplicates Z: 90 67.448 2.299 1.097 0.534 0.921 0.584 CB 1.557 90 residues pruned to eliminate duplicates Z: 36 33.899 2.127 0.972 0.454 0.914 0.600 CB 1.565 36 residues pruned to eliminate duplicates Z: 10 6.030 1.808 0.167 0.517 0.778 0.667 CB 1.205 5 residues pruned to eliminate duplicates Z: 68 29.485 1.884 0.623 0.452 0.955 0.552 CB 1.296 68 residues pruned to eliminate duplicates Z: 46 27.958 1.828 0.962 0.485 0.956 0.556 CB 1.235 46 residues pruned to eliminate duplicates Z: 14 16.360 1.945 0.547 0.611 0.923 0.615 CB 1.471 14 residues pruned to eliminate duplicates Z: 28 27.966 1.983 0.710 0.618 1.000 0.741 CB 1.419 28 residues pruned to eliminate duplicates Z: 13 38.938 2.244 1.181 0.926 1.000 0.667 CB 1.610 13 residues pruned to eliminate duplicates Z: 33 26.098 2.022 0.793 0.532 0.906 0.625 CB 1.361 33 residues pruned to eliminate duplicates Z: 14 15.078 1.948 0.601 0.609 0.846 0.615 CB 1.428 14 residues pruned to eliminate duplicates Z: 15 24.114 1.860 0.898 0.923 1.000 0.929 CB 1.283 15 residues pruned to eliminate duplicates Z: 25 25.930 2.034 0.695 0.692 1.000 0.792 CB 1.288 25 residues pruned to eliminate duplicates Z: 27 24.375 2.061 0.606 0.581 0.885 0.615 CB 1.510 27 residues pruned to eliminate duplicates Z: 13 20.490 1.989 0.907 0.761 1.000 0.667 CA 1.236 13 residues pruned to eliminate duplicates Z: 6 13.414 1.935 1.040 0.783 0.800 0.600 CA 1.481 6 residues pruned to eliminate duplicates Z: 28 34.578 2.067 0.771 0.614 1.000 0.815 CB 1.632 28 residues pruned to eliminate duplicates Z: 15 22.312 1.998 0.651 0.928 1.000 1.000 CB 1.266 15 residues pruned to eliminate duplicates Z: 18 16.682 1.953 0.376 0.502 1.000 0.588 CA 1.502 18 residues pruned to eliminate duplicates Z: 9 6.395 1.626 0.534 0.590 0.875 0.875 CB 0.950 Z: 8 3.874 1.459 0.277 0.382 0.857 0.429 CB 1.040 8 residues pruned to eliminate duplicates Z: 9 8.061 1.936 0.971 0.346 0.875 0.625 CB 1.009 Z: 7 7.263 1.969 0.716 0.703 0.500 0.333 CA 1.458 7 residues pruned to eliminate duplicates Z: 15 19.425 2.181 0.537 0.654 0.857 0.571 CB 1.566 22 residues pruned to eliminate duplicates Z: 60 53.118 2.171 1.112 0.575 0.932 0.559 CB 1.505 76 residues pruned to eliminate duplicates Z: 42 50.325 2.352 0.943 0.580 0.927 0.415 CB 1.719 42 residues pruned to eliminate duplicates Z: 15 25.554 2.328 1.374 0.345 0.857 0.714 CB 1.707 15 residues pruned to eliminate duplicates Z: 26 20.053 1.961 0.760 0.678 0.840 0.600 CB 1.174 26 residues pruned to eliminate duplicates Z: 18 21.484 2.204 0.896 0.435 0.941 0.471 CB 1.418 18 residues pruned to eliminate duplicates Z: 55 49.181 2.328 0.956 0.506 0.926 0.630 CB 1.578 55 residues pruned to eliminate duplicates Z: 51 47.436 2.308 1.045 0.449 0.900 0.600 CB 1.664 51 residues pruned to eliminate duplicates Z: 6 2.619 1.512 0.445 0.460 0.600 0.600 O 0.931 Z: 15 14.201 1.989 0.498 0.538 0.786 0.571 CA 1.562 Z: 11 8.443 1.660 0.518 0.570 0.900 0.800 CB 1.100 14 residues pruned to eliminate duplicates Z: 29 35.476 2.102 0.811 0.637 0.964 0.643 CA 1.607 29 residues pruned to eliminate duplicates Z: 7 23.855 2.372 1.063 0.709 1.000 0.667 CB 1.647 Z: 62 53.834 2.347 0.942 0.495 0.951 0.574 CB 1.598 62 residues pruned to eliminate duplicates Z: 13 24.240 2.234 0.388 0.925 1.000 1.000 CB 1.584 13 residues pruned to eliminate duplicates Z: 12 22.638 2.065 0.742 0.789 1.000 0.818 CA 1.471 12 residues pruned to eliminate duplicates Z: 6 5.529 1.922 -0.180 0.716 1.000 0.800 CB 1.290 6 residues pruned to eliminate duplicates Z: 14 40.019 2.220 1.221 0.936 1.000 0.308 CB 1.568 14 residues pruned to eliminate duplicates Z: 13 20.549 2.110 1.149 0.396 0.917 0.500 CB 1.592 13 residues pruned to eliminate duplicates Z: 9 7.073 1.852 -0.015 0.651 1.000 0.875 CB 1.191 9 residues pruned to eliminate duplicates Z: 29 29.199 1.997 0.756 0.570 0.929 0.714 CB 1.583 29 residues pruned to eliminate duplicates Z: 21 27.273 2.121 0.977 0.627 0.950 0.500 CB 1.358 20 residues pruned to eliminate duplicates Z: 19 16.233 1.922 0.749 0.464 0.889 0.611 CB 1.328 19 residues pruned to eliminate duplicates Z: 29 29.024 1.994 0.880 0.532 0.893 0.643 CA 1.589 29 residues pruned to eliminate duplicates Z: 6 4.199 1.514 0.704 0.467 0.800 0.800 CB 0.941 5 residues pruned to eliminate duplicates Z: 17 28.309 1.820 1.095 0.876 0.938 0.312 CB 1.439 17 residues pruned to eliminate duplicates Z: 6 2.330 1.453 -0.022 0.388 0.800 0.600 CA 1.032 Z: 29 46.509 2.359 1.186 0.642 0.893 0.714 CA 1.672 30 residues pruned to eliminate duplicates Z: 33 23.253 2.086 0.923 0.370 0.906 0.656 CB 1.300 33 residues pruned to eliminate duplicates Z: 36 25.817 1.866 0.968 0.568 0.943 0.829 CB 1.180 36 residues pruned to eliminate duplicates Z: 15 26.241 2.401 0.919 0.515 0.929 0.357 CB 1.614 15 residues pruned to eliminate duplicates Z: 29 37.673 2.157 1.007 0.628 0.929 0.786 CB 1.570 29 residues pruned to eliminate duplicates Z: 12 12.232 1.701 0.384 0.884 0.909 0.636 CB 1.245 12 residues pruned to eliminate duplicates Z: 97 65.727 2.303 0.991 0.535 0.896 0.635 CB 1.578 97 residues pruned to eliminate duplicates Z: 25 22.745 1.743 0.747 0.661 0.958 0.792 CB 1.370 25 residues pruned to eliminate duplicates 380 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 24 D: 10 E: 54 F: 158 G: 119 CC for partial structure against native data = 39.11 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.588, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.693, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.847, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.877, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.901, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.910, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.920, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.922, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.926, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.925, Connect. = 0.789 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2044 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 471 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 63 54.094 2.403 0.921 0.484 0.903 0.597 CB 1.675 B: 14 36.567 2.541 0.761 0.922 1.000 0.846 CA 1.593 C: 18 40.427 2.338 1.000 0.824 0.941 0.588 CA 1.682 17 residues pruned to eliminate duplicates D: 12 35.602 2.614 0.556 0.916 1.000 1.000 CA 1.864 12 residues pruned to eliminate duplicates E: 10 24.959 2.229 0.962 0.817 0.889 0.778 CA 1.625 F: 63 59.344 2.359 1.011 0.457 0.968 0.629 CB 1.715 62 residues pruned to eliminate duplicates G: 16 22.556 1.985 0.890 0.677 0.933 0.600 CB 1.413 H: 41 33.485 2.268 0.930 0.419 0.825 0.575 CB 1.595 48 residues pruned to eliminate duplicates I: 14 45.886 2.620 0.940 0.922 1.000 0.846 CA 1.761 14 residues pruned to eliminate duplicates J: 16 36.386 2.421 0.723 0.932 0.933 0.867 CA 1.685 K: 15 27.028 2.475 0.498 0.896 0.857 0.786 CA 1.629 15 residues pruned to eliminate duplicates L: 14 44.606 2.460 0.909 0.940 1.000 0.769 CB 1.829 14 residues pruned to eliminate duplicates M: 16 38.565 2.460 0.752 0.943 0.933 0.867 CA 1.716 16 residues pruned to eliminate duplicates N: 140 84.774 2.311 0.909 0.520 0.957 0.676 CB 1.671 89 residues pruned to eliminate duplicates O: 15 46.506 2.545 1.132 0.892 0.929 0.786 CB 1.772 15 residues pruned to eliminate duplicates P: 15 28.003 2.173 0.575 0.934 1.000 0.857 CA 1.525 Q: 90 79.724 2.417 1.064 0.531 0.955 0.551 CB 1.721 91 residues pruned to eliminate duplicates R: 14 27.340 2.449 0.996 0.595 0.846 0.615 CB 1.674 14 residues pruned to eliminate duplicates S: 16 51.691 2.387 1.516 0.897 0.933 0.467 CB 1.705 16 residues pruned to eliminate duplicates T: 17 35.087 2.283 1.136 0.873 0.875 0.438 CB 1.497 17 residues pruned to eliminate duplicates U: 33 45.434 2.314 0.951 0.554 0.969 0.719 CB 1.743 32 residues pruned to eliminate duplicates V: 58 52.904 2.396 1.006 0.485 0.895 0.439 CB 1.653 58 residues pruned to eliminate duplicates W: 32 39.211 2.241 1.059 0.514 0.871 0.710 CB 1.728 32 residues pruned to eliminate duplicates X: 32 45.027 2.318 0.952 0.535 0.935 0.581 CA 1.846 32 residues pruned to eliminate duplicates Y: 22 23.005 2.176 0.795 0.544 0.857 0.714 CB 1.436 Z: 59 57.425 2.413 1.038 0.514 0.897 0.569 CB 1.685 59 residues pruned to eliminate duplicates Z: 15 27.835 2.360 0.630 0.911 0.929 0.857 CA 1.476 15 residues pruned to eliminate duplicates Z: 34 21.456 2.048 0.650 0.452 0.909 0.606 CB 1.276 22 residues pruned to eliminate duplicates Z: 14 37.954 2.576 0.785 0.893 1.000 0.846 CA 1.643 14 residues pruned to eliminate duplicates Z: 9 29.445 2.346 0.951 0.817 1.000 0.750 CA 1.727 10 residues pruned to eliminate duplicates Z: 16 32.602 2.402 0.761 0.903 0.867 0.800 CA 1.636 16 residues pruned to eliminate duplicates Z: 14 27.021 2.115 0.736 0.788 1.000 0.692 CA 1.584 14 residues pruned to eliminate duplicates Z: 14 30.000 2.250 0.775 0.912 1.000 0.769 CA 1.476 15 residues pruned to eliminate duplicates Z: 17 31.776 2.286 0.958 0.869 0.875 0.688 CB 1.482 17 residues pruned to eliminate duplicates Z: 16 36.613 2.437 0.756 0.939 0.933 0.867 CA 1.645 16 residues pruned to eliminate duplicates Z: 13 51.820 2.624 1.385 0.933 0.917 0.833 CB 1.820 15 residues pruned to eliminate duplicates Z: 15 21.301 2.106 0.497 0.905 0.929 0.786 CA 1.384 15 residues pruned to eliminate duplicates Z: 13 25.471 2.198 0.567 0.800 1.000 0.750 CA 1.641 13 residues pruned to eliminate duplicates Z: 42 41.168 2.240 0.872 0.523 0.902 0.610 CB 1.661 41 residues pruned to eliminate duplicates Z: 13 14.592 2.096 0.803 0.424 0.750 0.667 CB 1.607 13 residues pruned to eliminate duplicates Z: 11 17.862 2.091 0.519 0.798 0.900 0.700 CA 1.522 11 residues pruned to eliminate duplicates Z: 21 24.204 2.017 0.835 0.619 0.850 0.750 CB 1.538 Z: 12 16.216 2.124 0.496 0.735 0.909 0.636 CB 1.370 Z: 20 30.736 2.121 0.917 0.703 0.947 0.789 CB 1.522 14 residues pruned to eliminate duplicates Z: 7 3.594 1.570 -0.085 0.804 0.833 0.667 CA 0.940 7 residues pruned to eliminate duplicates Z: 103 75.242 2.395 0.973 0.514 0.912 0.618 CB 1.705 105 residues pruned to eliminate duplicates Z: 6 9.202 1.529 1.284 0.758 1.000 0.400 CB 0.937 Z: 114 73.098 2.357 1.007 0.473 0.929 0.593 CB 1.607 114 residues pruned to eliminate duplicates Z: 55 51.683 2.392 0.988 0.497 0.889 0.611 CB 1.669 55 residues pruned to eliminate duplicates Z: 16 33.881 2.131 0.785 0.915 1.000 0.667 CB 1.626 16 residues pruned to eliminate duplicates Z: 16 28.280 2.363 0.620 0.893 0.933 0.867 CA 1.468 15 residues pruned to eliminate duplicates Z: 17 31.993 2.247 0.492 0.915 1.000 0.938 CA 1.686 17 residues pruned to eliminate duplicates Z: 32 37.668 2.084 0.759 0.648 1.000 0.742 CB 1.608 12 residues pruned to eliminate duplicates Z: 14 36.368 2.512 0.798 0.916 1.000 1.000 CA 1.577 15 residues pruned to eliminate duplicates Z: 91 69.092 2.373 0.993 0.539 0.900 0.544 CB 1.647 91 residues pruned to eliminate duplicates Z: 9 25.047 2.384 0.642 0.865 1.000 0.750 CA 1.658 9 residues pruned to eliminate duplicates Z: 46 38.274 2.189 0.969 0.450 0.889 0.489 CB 1.568 46 residues pruned to eliminate duplicates Z: 17 19.480 2.048 0.881 0.626 0.875 0.562 CB 1.284 17 residues pruned to eliminate duplicates Z: 17 25.799 2.281 0.364 0.927 1.000 0.938 CA 1.452 17 residues pruned to eliminate duplicates Z: 11 22.207 1.887 0.850 0.882 1.000 0.600 CA 1.455 Z: 10 23.868 2.104 1.087 0.667 1.000 0.667 CA 1.554 10 residues pruned to eliminate duplicates Z: 18 37.800 2.287 0.776 0.909 1.000 0.824 CB 1.602 18 residues pruned to eliminate duplicates Z: 16 35.567 2.406 0.696 0.930 0.933 0.867 CA 1.686 16 residues pruned to eliminate duplicates Z: 10 25.758 2.069 1.094 0.647 1.000 0.889 CA 1.727 10 residues pruned to eliminate duplicates Z: 26 22.889 2.009 0.507 0.548 0.920 0.760 CB 1.567 26 residues pruned to eliminate duplicates Z: 12 21.685 2.108 0.756 0.771 1.000 0.727 CB 1.390 12 residues pruned to eliminate duplicates Z: 14 20.092 2.046 0.443 0.737 0.923 0.769 CA 1.653 14 residues pruned to eliminate duplicates Z: 13 23.653 2.260 0.463 0.731 1.000 0.667 CA 1.677 13 residues pruned to eliminate duplicates Z: 72 33.756 1.987 0.573 0.527 0.915 0.690 CB 1.364 Z: 17 35.823 2.342 0.869 0.896 0.875 0.750 CB 1.675 17 residues pruned to eliminate duplicates Z: 16 24.801 1.973 0.771 0.903 0.933 0.667 CA 1.399 16 residues pruned to eliminate duplicates Z: 30 25.966 2.155 0.791 0.464 0.897 0.655 CB 1.445 27 residues pruned to eliminate duplicates Z: 11 17.052 1.824 0.960 0.827 0.900 0.800 CA 1.263 11 residues pruned to eliminate duplicates Z: 33 41.825 2.188 0.972 0.583 0.938 0.531 CA 1.687 33 residues pruned to eliminate duplicates Z: 15 28.751 2.440 0.707 0.837 0.857 0.643 CB 1.611 15 residues pruned to eliminate duplicates Z: 31 30.199 2.331 0.892 0.341 0.900 0.567 CB 1.651 31 residues pruned to eliminate duplicates Z: 6 7.081 2.011 0.830 0.696 0.600 0.400 CA 1.199 6 residues pruned to eliminate duplicates Z: 13 22.974 2.204 0.485 0.813 1.000 0.667 CA 1.543 13 residues pruned to eliminate duplicates Z: 16 18.466 1.930 0.369 0.938 0.933 0.800 CA 1.344 16 residues pruned to eliminate duplicates Z: 28 36.004 2.100 0.840 0.598 0.963 0.667 CB 1.697 28 residues pruned to eliminate duplicates Z: 62 51.508 2.261 0.864 0.572 0.902 0.639 CB 1.619 99 residues pruned to eliminate duplicates Z: 17 38.476 2.291 1.018 0.906 0.938 0.875 CB 1.578 17 residues pruned to eliminate duplicates Z: 29 29.814 2.105 0.643 0.599 0.964 0.643 CB 1.538 29 residues pruned to eliminate duplicates Z: 63 51.988 2.214 0.880 0.573 0.935 0.694 CB 1.580 55 residues pruned to eliminate duplicates Z: 30 42.246 2.371 1.015 0.597 0.897 0.586 CB 1.670 24 residues pruned to eliminate duplicates Z: 12 11.994 1.983 0.123 0.668 0.909 0.818 CA 1.530 12 residues pruned to eliminate duplicates Z: 17 20.127 1.879 0.529 0.896 0.938 0.938 CA 1.339 17 residues pruned to eliminate duplicates Z: 61 50.866 2.410 0.906 0.466 0.867 0.667 CB 1.708 61 residues pruned to eliminate duplicates Z: 30 35.031 2.128 0.795 0.566 0.966 0.552 CB 1.655 30 residues pruned to eliminate duplicates Z: 27 38.718 2.185 0.803 0.634 1.000 0.692 CB 1.700 27 residues pruned to eliminate duplicates Z: 7 9.837 2.030 0.335 0.484 1.000 0.667 C 1.506 Z: 12 16.500 2.092 0.528 0.773 1.000 0.636 CB 1.222 12 residues pruned to eliminate duplicates Z: 95 69.058 2.355 0.963 0.525 0.904 0.596 CB 1.663 95 residues pruned to eliminate duplicates Z: 13 21.217 2.147 0.668 0.720 0.917 0.583 CB 1.529 13 residues pruned to eliminate duplicates Z: 8 5.673 1.865 -0.238 0.711 0.857 0.857 N 1.454 Z: 16 23.363 2.001 0.751 0.914 1.000 0.733 CB 1.218 16 residues pruned to eliminate duplicates Z: 15 33.822 2.173 0.808 0.918 1.000 0.643 CA 1.623 14 residues pruned to eliminate duplicates Z: 14 35.989 2.248 0.824 0.936 1.000 0.923 CA 1.696 14 residues pruned to eliminate duplicates Z: 38 43.904 2.275 0.795 0.573 0.946 0.676 CB 1.742 38 residues pruned to eliminate duplicates Z: 11 6.241 1.993 -0.201 0.595 0.900 0.700 CB 1.257 Z: 56 39.985 2.167 0.906 0.453 0.891 0.727 CB 1.537 58 residues pruned to eliminate duplicates Z: 87 71.937 2.436 0.963 0.536 0.930 0.535 CB 1.683 87 residues pruned to eliminate duplicates Z: 13 35.556 2.245 1.409 0.893 0.917 0.667 CB 1.486 13 residues pruned to eliminate duplicates Z: 15 38.001 2.199 0.967 0.917 1.000 0.571 CB 1.657 15 residues pruned to eliminate duplicates Z: 6 7.808 1.994 -0.110 0.768 1.000 1.000 CB 1.553 6 residues pruned to eliminate duplicates Z: 15 50.828 2.491 1.339 0.930 0.929 0.786 CB 1.755 15 residues pruned to eliminate duplicates Z: 31 16.098 1.997 0.693 0.250 0.900 0.600 CB 1.287 31 residues pruned to eliminate duplicates Z: 16 14.237 1.949 0.719 0.561 0.867 0.733 CB 1.193 7 1.402 1.800 -0.391 0.347 0.833 0.667 CB 0.740 ? Z: 32 50.542 2.284 1.108 0.587 1.000 0.613 CB 1.736 40 residues pruned to eliminate duplicates Z: 84 63.532 2.319 0.888 0.543 0.928 0.614 CB 1.647 84 residues pruned to eliminate duplicates Z: 61 57.069 2.239 1.028 0.541 0.933 0.650 CB 1.670 77 residues pruned to eliminate duplicates Z: 29 29.988 2.032 0.812 0.549 0.964 0.821 CB 1.521 27 residues pruned to eliminate duplicates Z: 10 29.382 2.247 0.942 0.814 1.000 0.667 CA 1.708 9 residues pruned to eliminate duplicates Z: 15 31.006 2.154 1.075 0.887 0.929 0.500 CB 1.440 15 residues pruned to eliminate duplicates Z: 13 16.305 2.022 0.631 0.811 0.833 0.417 CB 1.307 13 residues pruned to eliminate duplicates Z: 7 10.047 1.755 0.956 0.514 0.833 0.667 O 1.414 Z: 15 15.139 1.848 0.347 0.893 1.000 0.786 CA 1.167 15 residues pruned to eliminate duplicates Z: 18 21.007 2.168 0.764 0.498 0.882 0.647 CB 1.513 Z: 11 19.616 2.139 0.869 0.754 0.800 0.600 CA 1.547 11 residues pruned to eliminate duplicates Z: 48 37.183 2.138 0.766 0.578 0.894 0.681 CB 1.490 32 residues pruned to eliminate duplicates Z: 62 53.825 2.337 0.922 0.473 0.934 0.557 CB 1.688 62 residues pruned to eliminate duplicates Z: 19 13.643 1.959 0.954 0.262 0.833 0.556 CB 1.323 19 residues pruned to eliminate duplicates Z: 16 23.187 2.010 0.739 0.910 1.000 0.733 CB 1.215 16 residues pruned to eliminate duplicates Z: 15 15.280 1.899 0.416 0.786 0.929 0.643 CB 1.272 15 residues pruned to eliminate duplicates Z: 6 10.696 2.029 0.702 0.830 0.800 0.400 CA 1.302 6 residues pruned to eliminate duplicates Z: 31 35.918 2.304 0.877 0.539 0.900 0.467 CB 1.621 31 residues pruned to eliminate duplicates Z: 26 25.840 2.033 0.742 0.547 0.960 0.680 CB 1.452 26 residues pruned to eliminate duplicates Z: 31 14.608 1.861 0.602 0.393 0.867 0.533 CB 1.156 19 residues pruned to eliminate duplicates Z: 17 25.236 1.907 0.711 0.937 1.000 0.875 CA 1.345 17 residues pruned to eliminate duplicates Z: 13 15.041 2.037 0.205 0.919 1.000 0.750 CA 1.247 13 residues pruned to eliminate duplicates Z: 15 21.801 2.079 0.426 0.906 1.000 0.714 CB 1.399 15 residues pruned to eliminate duplicates Z: 9 30.803 2.353 0.952 0.822 1.000 0.625 CA 1.794 9 residues pruned to eliminate duplicates Z: 16 20.344 2.037 0.458 0.893 0.933 0.733 CB 1.361 16 residues pruned to eliminate duplicates Z: 45 54.123 2.262 0.980 0.646 0.977 0.682 CB 1.626 44 residues pruned to eliminate duplicates Z: 36 33.125 2.034 0.860 0.552 0.943 0.629 CB 1.492 36 residues pruned to eliminate duplicates Z: 12 17.470 1.981 0.648 0.701 1.000 0.909 CA 1.344 Z: 10 11.152 2.065 0.508 0.398 0.889 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 17 36.606 2.257 1.253 0.876 0.875 0.312 CB 1.495 17 residues pruned to eliminate duplicates Z: 6 6.454 1.687 0.864 0.552 0.800 0.400 N 1.091 Z: 16 22.689 2.285 0.813 0.517 0.867 0.533 CB 1.604 16 residues pruned to eliminate duplicates Z: 17 29.598 1.931 1.028 0.915 0.938 0.750 CA 1.424 17 residues pruned to eliminate duplicates Z: 7 11.069 1.815 0.970 0.491 0.833 0.500 CB 1.530 7 residues pruned to eliminate duplicates Z: 31 35.311 2.078 0.898 0.603 0.967 0.500 CB 1.533 15 residues pruned to eliminate duplicates Z: 31 25.284 2.068 0.508 0.581 0.933 0.633 CB 1.468 31 residues pruned to eliminate duplicates Z: 20 22.806 2.129 0.370 0.682 1.000 0.842 CB 1.518 20 residues pruned to eliminate duplicates Z: 30 33.879 2.111 0.902 0.618 0.931 0.621 CB 1.505 31 residues pruned to eliminate duplicates Z: 88 67.945 2.390 0.996 0.525 0.908 0.552 CB 1.641 88 residues pruned to eliminate duplicates Z: 28 29.880 2.074 0.745 0.606 0.926 0.630 CB 1.551 28 residues pruned to eliminate duplicates Z: 13 21.131 2.217 0.473 0.776 0.917 0.750 CA 1.597 13 residues pruned to eliminate duplicates Z: 16 21.095 1.799 0.628 0.888 1.000 0.733 CB 1.340 16 residues pruned to eliminate duplicates Z: 11 17.256 1.990 0.599 0.752 0.900 0.800 CA 1.522 11 residues pruned to eliminate duplicates Z: 30 29.874 2.189 0.705 0.589 0.931 0.690 CB 1.465 35 residues pruned to eliminate duplicates Z: 53 33.692 2.067 0.910 0.432 0.885 0.519 CB 1.435 53 residues pruned to eliminate duplicates Z: 9 25.142 2.315 0.688 0.860 1.000 0.750 CB 1.673 9 residues pruned to eliminate duplicates Z: 33 34.543 2.077 1.020 0.576 0.938 0.656 CB 1.443 33 residues pruned to eliminate duplicates Z: 13 14.410 1.968 0.507 0.768 0.917 0.667 CB 1.207 13 residues pruned to eliminate duplicates Z: 51 46.183 2.177 1.031 0.477 0.960 0.580 CB 1.575 51 residues pruned to eliminate duplicates Z: 92 56.424 2.154 0.920 0.535 0.879 0.582 CB 1.572 92 residues pruned to eliminate duplicates Z: 15 24.533 1.888 0.763 0.899 1.000 0.786 CB 1.408 15 residues pruned to eliminate duplicates Z: 7 8.910 1.948 1.192 0.600 0.667 0.667 CB 1.162 7 residues pruned to eliminate duplicates Z: 82 67.615 2.384 1.008 0.542 0.938 0.605 CB 1.606 82 residues pruned to eliminate duplicates Z: 13 9.937 2.048 0.521 0.590 0.833 0.667 CB 1.014 13 residues pruned to eliminate duplicates Z: 8 4.593 1.813 0.352 0.526 0.857 0.429 CB 0.805 Z: 17 21.612 2.021 0.481 0.820 0.938 0.875 CA 1.459 17 residues pruned to eliminate duplicates Z: 33 37.295 2.215 0.880 0.567 0.875 0.656 CB 1.695 33 residues pruned to eliminate duplicates Z: 8 21.249 2.004 1.025 0.711 1.000 0.714 CA 1.635 8 residues pruned to eliminate duplicates Z: 6 5.449 1.798 -0.156 0.796 1.000 0.800 CB 1.240 Z: 27 23.920 2.101 0.760 0.616 0.846 0.654 CB 1.344 27 residues pruned to eliminate duplicates Z: 28 44.377 2.374 1.220 0.578 0.889 0.481 CB 1.692 23 residues pruned to eliminate duplicates Z: 14 19.911 1.903 0.528 0.926 1.000 0.923 CB 1.332 14 residues pruned to eliminate duplicates Z: 30 43.938 2.298 0.868 0.569 0.931 0.690 CA 1.909 30 residues pruned to eliminate duplicates Z: 13 18.156 2.030 0.579 0.786 0.917 0.583 CA 1.387 13 residues pruned to eliminate duplicates Z: 14 19.383 1.927 0.389 0.920 1.000 0.846 CB 1.414 14 residues pruned to eliminate duplicates Z: 14 35.797 2.369 0.918 0.907 1.000 0.692 CA 1.552 14 residues pruned to eliminate duplicates Z: 30 49.537 2.325 1.000 0.617 0.966 0.621 CB 1.834 30 residues pruned to eliminate duplicates Z: 18 35.361 2.296 0.976 0.885 0.941 0.647 CB 1.450 18 residues pruned to eliminate duplicates Z: 15 20.482 1.884 0.505 0.907 1.000 0.857 CB 1.372 15 residues pruned to eliminate duplicates Z: 23 28.005 2.182 0.833 0.539 0.955 0.727 CB 1.505 23 residues pruned to eliminate duplicates Z: 16 17.849 2.033 0.207 0.920 0.933 0.867 CB 1.417 16 residues pruned to eliminate duplicates Z: 29 24.799 1.950 0.713 0.645 0.929 0.786 CB 1.319 29 residues pruned to eliminate duplicates Z: 29 27.129 2.131 0.514 0.587 0.929 0.607 CB 1.575 29 residues pruned to eliminate duplicates Z: 85 72.502 2.399 0.948 0.569 0.929 0.595 CB 1.705 85 residues pruned to eliminate duplicates Z: 11 17.314 2.130 0.797 0.824 1.000 0.500 CB 1.080 11 residues pruned to eliminate duplicates Z: 8 8.783 1.878 0.842 0.598 1.000 0.429 CB 0.874 Z: 17 24.756 1.999 0.776 0.911 0.938 0.562 CB 1.318 17 residues pruned to eliminate duplicates Z: 7 3.232 1.741 0.417 0.559 0.667 0.500 CB 0.757 Z: 6 3.261 1.931 -0.324 0.507 1.000 0.800 CB 1.108 Z: 14 37.834 2.263 0.956 0.908 1.000 0.538 CB 1.684 14 residues pruned to eliminate duplicates Z: 8 7.994 1.799 0.783 0.592 0.857 0.714 CB 1.006 7 residues pruned to eliminate duplicates Z: 16 20.860 1.996 0.377 0.916 1.000 0.733 CB 1.384 16 residues pruned to eliminate duplicates Z: 29 49.909 2.414 1.175 0.616 0.929 0.536 CB 1.734 30 residues pruned to eliminate duplicates Z: 15 25.114 2.168 0.587 0.938 1.000 0.786 CA 1.357 15 residues pruned to eliminate duplicates Z: 17 21.850 1.994 0.474 0.893 1.000 0.875 CA 1.335 17 residues pruned to eliminate duplicates Z: 12 15.548 2.089 0.696 0.721 0.909 0.455 CB 1.192 12 residues pruned to eliminate duplicates Z: 48 44.193 2.354 0.740 0.572 0.915 0.702 CB 1.604 48 residues pruned to eliminate duplicates Z: 19 10.572 1.920 0.335 0.374 0.889 0.333 CB 1.252 29 residues pruned to eliminate duplicates Z: 44 37.688 2.171 0.977 0.485 0.884 0.581 CB 1.539 44 residues pruned to eliminate duplicates Z: 28 24.607 2.029 0.583 0.592 0.926 0.667 CB 1.458 28 residues pruned to eliminate duplicates Z: 13 24.154 2.113 0.823 0.817 1.000 0.667 CA 1.375 13 residues pruned to eliminate duplicates Z: 7 8.364 1.590 0.592 0.769 0.833 0.500 CB 1.275 7 residues pruned to eliminate duplicates Z: 48 40.125 2.192 0.791 0.452 0.957 0.511 CB 1.636 48 residues pruned to eliminate duplicates Z: 12 13.099 1.991 0.202 0.817 1.000 0.636 CB 1.253 12 residues pruned to eliminate duplicates Z: 7 7.388 1.757 0.384 0.542 0.833 0.833 CB 1.429 7 residues pruned to eliminate duplicates Z: 10 21.227 1.954 0.749 0.864 1.000 0.889 CA 1.517 10 residues pruned to eliminate duplicates Z: 17 24.475 1.903 0.749 0.903 0.938 0.938 CA 1.397 17 residues pruned to eliminate duplicates Z: 10 17.760 1.977 0.694 0.854 1.000 0.778 CA 1.306 10 residues pruned to eliminate duplicates Z: 17 17.438 1.949 0.286 0.800 0.938 0.875 CB 1.427 17 residues pruned to eliminate duplicates Z: 14 20.429 1.923 0.508 0.893 1.000 0.769 CB 1.402 14 residues pruned to eliminate duplicates Z: 9 4.091 1.727 0.635 0.371 0.625 0.375 N 0.940 Z: 16 22.079 1.792 0.680 0.887 1.000 0.800 CB 1.365 16 residues pruned to eliminate duplicates Z: 20 25.165 2.104 0.744 0.824 0.895 0.579 CB 1.327 20 residues pruned to eliminate duplicates Z: 17 30.053 2.293 0.655 0.861 0.938 0.750 CB 1.552 17 residues pruned to eliminate duplicates Z: 17 24.771 2.031 0.539 0.900 1.000 0.875 CB 1.416 17 residues pruned to eliminate duplicates Z: 16 17.212 1.979 0.293 0.928 1.000 0.867 CB 1.216 16 residues pruned to eliminate duplicates Z: 14 17.420 2.134 0.673 0.444 1.000 0.462 CB 1.433 14 residues pruned to eliminate duplicates Z: 70 27.987 1.963 0.449 0.487 0.884 0.652 CB 1.357 70 residues pruned to eliminate duplicates Z: 10 9.347 1.629 0.817 0.506 0.889 0.667 CB 1.177 8 residues pruned to eliminate duplicates Z: 11 23.110 2.073 1.162 0.722 1.000 0.900 CA 1.335 11 residues pruned to eliminate duplicates Z: 15 19.715 1.860 0.490 0.921 1.000 0.786 CB 1.338 15 residues pruned to eliminate duplicates Z: 28 22.115 2.159 0.863 0.287 0.926 0.519 CB 1.452 28 residues pruned to eliminate duplicates Z: 16 28.989 2.183 0.494 0.904 1.000 0.867 CB 1.635 16 residues pruned to eliminate duplicates Z: 6 10.631 1.761 0.888 0.750 0.800 0.800 CB 1.429 6 residues pruned to eliminate duplicates Z: 56 48.169 2.352 0.974 0.443 0.891 0.564 CB 1.665 56 residues pruned to eliminate duplicates Z: 10 30.144 2.239 0.911 0.866 1.000 0.667 CA 1.719 10 residues pruned to eliminate duplicates 6 1.396 1.593 0.701 0.432 0.400 0.400 N 0.619 ? Z: 16 31.127 2.016 0.893 0.934 1.000 0.867 CA 1.469 16 residues pruned to eliminate duplicates Z: 96 67.504 2.389 0.877 0.503 0.895 0.632 CB 1.721 96 residues pruned to eliminate duplicates Z: 9 21.150 2.155 0.784 0.863 0.875 0.625 CA 1.631 9 residues pruned to eliminate duplicates Z: 13 37.714 2.250 1.410 0.919 1.000 0.500 CB 1.415 13 residues pruned to eliminate duplicates Z: 16 24.038 2.147 0.953 0.557 0.933 0.600 CB 1.501 16 residues pruned to eliminate duplicates Z: 16 27.876 1.967 0.840 0.917 0.933 0.467 CB 1.504 16 residues pruned to eliminate duplicates Z: 16 19.485 1.800 0.564 0.855 1.000 0.733 CA 1.319 16 residues pruned to eliminate duplicates Z: 46 32.732 2.222 0.852 0.495 0.867 0.578 CB 1.375 46 residues pruned to eliminate duplicates Z: 14 16.287 1.928 0.528 0.547 0.923 0.462 CB 1.586 14 residues pruned to eliminate duplicates Z: 6 11.011 1.978 0.591 0.590 1.000 0.800 CB 1.435 4 residues pruned to eliminate duplicates Z: 6 4.524 1.576 0.579 0.676 0.600 0.400 CA 1.152 6 residues pruned to eliminate duplicates Z: 54 51.263 2.245 0.860 0.585 0.962 0.642 CB 1.615 54 residues pruned to eliminate duplicates Z: 12 19.968 2.110 0.683 0.781 1.000 0.545 CB 1.323 12 residues pruned to eliminate duplicates Z: 29 27.560 2.049 0.741 0.544 0.929 0.643 CA 1.506 29 residues pruned to eliminate duplicates Z: 27 32.158 2.033 0.869 0.686 1.000 0.577 CB 1.399 27 residues pruned to eliminate duplicates Z: 15 20.183 2.052 0.437 0.809 0.857 0.571 CB 1.630 15 residues pruned to eliminate duplicates Z: 16 26.671 1.943 0.742 0.916 1.000 0.867 CA 1.437 16 residues pruned to eliminate duplicates Z: 11 10.170 1.818 0.492 0.474 0.800 0.700 CB 1.522 11 residues pruned to eliminate duplicates Z: 6 8.157 1.841 0.442 0.807 0.800 0.800 CB 1.314 6 residues pruned to eliminate duplicates Z: 16 20.395 2.020 0.283 0.906 1.000 0.933 CB 1.446 16 residues pruned to eliminate duplicates Z: 29 35.747 2.182 0.706 0.708 0.964 0.857 CB 1.558 29 residues pruned to eliminate duplicates Z: 40 43.480 2.187 0.995 0.551 0.923 0.615 CB 1.645 40 residues pruned to eliminate duplicates Z: 12 4.359 1.921 -0.080 0.272 0.818 0.455 CB 1.177 11 residues pruned to eliminate duplicates Z: 20 37.251 2.176 0.965 0.701 1.000 0.895 CB 1.664 21 residues pruned to eliminate duplicates Z: 60 53.265 2.402 0.895 0.521 0.898 0.644 CB 1.662 60 residues pruned to eliminate duplicates Z: 12 18.320 1.987 0.801 0.753 0.909 0.545 CB 1.355 12 residues pruned to eliminate duplicates Z: 25 34.345 2.317 0.635 0.618 1.000 0.667 CA 1.655 25 residues pruned to eliminate duplicates Z: 15 44.484 2.221 1.218 0.933 1.000 0.571 CB 1.684 15 residues pruned to eliminate duplicates Z: 9 5.910 1.710 0.731 0.386 0.750 0.625 CB 1.062 Z: 11 18.712 2.193 0.574 0.835 1.000 0.800 CB 1.284 11 residues pruned to eliminate duplicates Z: 24 30.237 2.007 0.997 0.634 0.913 0.522 CB 1.519 24 residues pruned to eliminate duplicates Z: 16 24.079 1.853 0.696 0.911 1.000 0.867 CA 1.403 16 residues pruned to eliminate duplicates Z: 6 10.969 1.878 0.696 0.864 1.000 0.800 CA 1.130 6 residues pruned to eliminate duplicates Z: 28 30.238 2.237 0.652 0.567 0.926 0.815 CB 1.594 28 residues pruned to eliminate duplicates Z: 7 11.851 1.801 0.973 0.704 0.833 0.500 CA 1.356 7 residues pruned to eliminate duplicates Z: 13 21.671 1.871 0.752 0.885 0.917 0.667 CB 1.503 13 residues pruned to eliminate duplicates Z: 56 54.274 2.401 0.908 0.552 0.909 0.600 CB 1.671 56 residues pruned to eliminate duplicates Z: 9 7.480 1.792 0.334 0.589 0.750 0.500 CB 1.354 9 residues pruned to eliminate duplicates Z: 10 3.705 1.688 0.030 0.260 0.778 0.556 O 1.201 4 residues pruned to eliminate duplicates Z: 19 49.241 2.492 1.155 0.711 0.944 0.722 CB 1.890 19 residues pruned to eliminate duplicates Z: 7 2.791 1.523 0.620 0.268 0.667 0.500 CA 0.902 7 residues pruned to eliminate duplicates Z: 20 38.696 2.405 1.300 0.542 1.000 0.632 CB 1.540 20 residues pruned to eliminate duplicates Z: 7 10.301 1.658 0.554 0.724 1.000 0.833 CA 1.333 Z: 21 25.064 2.010 0.893 0.583 0.950 0.650 CB 1.432 21 residues pruned to eliminate duplicates Z: 13 12.650 1.962 0.633 0.469 0.917 0.750 CB 1.283 13 residues pruned to eliminate duplicates Z: 8 11.316 1.946 0.388 0.798 0.857 0.857 CB 1.423 8 residues pruned to eliminate duplicates Z: 57 48.436 2.284 0.923 0.488 0.929 0.554 CB 1.606 57 residues pruned to eliminate duplicates Z: 28 29.236 2.047 0.703 0.581 0.963 0.667 CB 1.551 28 residues pruned to eliminate duplicates Z: 10 16.460 1.989 0.494 0.810 1.000 0.667 CA 1.410 10 residues pruned to eliminate duplicates Z: 9 19.514 2.125 0.717 0.871 0.875 0.750 CB 1.576 9 residues pruned to eliminate duplicates Z: 15 24.156 1.886 0.831 0.884 1.000 0.571 CB 1.352 15 residues pruned to eliminate duplicates Z: 14 43.599 2.444 1.094 0.924 0.923 0.385 CB 1.798 14 residues pruned to eliminate duplicates Z: 9 5.024 1.810 0.279 0.348 0.875 0.625 CB 1.034 9 residues pruned to eliminate duplicates Z: 20 29.783 2.104 0.848 0.618 1.000 0.789 CB 1.572 20 residues pruned to eliminate duplicates Z: 16 35.230 1.990 1.112 0.926 1.000 0.400 CA 1.517 16 residues pruned to eliminate duplicates Z: 48 50.867 2.248 0.968 0.536 0.936 0.574 CB 1.729 48 residues pruned to eliminate duplicates Z: 91 74.343 2.434 0.948 0.545 0.944 0.622 CB 1.675 91 residues pruned to eliminate duplicates Z: 17 32.256 2.250 0.704 0.753 1.000 0.938 CA 1.679 17 residues pruned to eliminate duplicates Z: 89 77.191 2.414 1.003 0.536 0.955 0.591 CB 1.721 89 residues pruned to eliminate duplicates Z: 33 23.790 1.858 0.850 0.583 0.906 0.625 CB 1.246 33 residues pruned to eliminate duplicates Z: 22 19.902 2.152 0.470 0.539 0.905 0.667 CB 1.460 22 residues pruned to eliminate duplicates Z: 11 21.723 2.283 0.635 0.622 1.000 0.900 CA 1.640 11 residues pruned to eliminate duplicates Z: 6 3.140 1.621 0.905 0.198 0.800 0.400 CB 0.815 Z: 21 21.997 2.055 0.443 0.681 0.950 0.900 CB 1.479 21 residues pruned to eliminate duplicates Z: 30 23.969 2.065 0.408 0.615 0.966 0.690 CB 1.423 30 residues pruned to eliminate duplicates Z: 22 43.608 2.306 1.246 0.700 0.857 0.524 CB 1.787 22 residues pruned to eliminate duplicates 7 1.758 1.374 0.021 0.512 1.000 0.667 CB 0.505 ? Z: 38 37.680 2.101 0.865 0.574 1.000 0.649 CB 1.472 38 residues pruned to eliminate duplicates Z: 68 37.386 1.980 0.813 0.500 0.940 0.612 CB 1.353 73 residues pruned to eliminate duplicates Z: 14 7.667 1.768 0.102 0.447 1.000 0.538 CB 1.153 10 residues pruned to eliminate duplicates Z: 15 18.022 1.982 0.356 0.909 0.929 0.571 CB 1.370 15 residues pruned to eliminate duplicates Z: 40 53.339 2.438 0.956 0.631 0.923 0.615 CB 1.715 40 residues pruned to eliminate duplicates Z: 8 17.407 2.080 0.944 0.864 0.857 0.571 CB 1.392 8 residues pruned to eliminate duplicates Z: 6 4.201 1.417 0.477 0.488 0.800 0.600 C 1.136 Z: 17 19.832 2.122 0.594 0.585 0.938 0.812 CA 1.440 17 residues pruned to eliminate duplicates Z: 87 57.090 2.223 0.756 0.577 0.953 0.570 CB 1.537 173 residues pruned to eliminate duplicates Z: 9 6.345 1.538 0.097 0.757 1.000 0.625 N 1.058 9 residues pruned to eliminate duplicates Z: 49 25.832 1.992 0.583 0.481 0.896 0.625 CB 1.347 49 residues pruned to eliminate duplicates Z: 88 69.254 2.242 0.905 0.587 0.966 0.690 CB 1.656 88 residues pruned to eliminate duplicates Z: 7 6.909 2.062 0.227 0.459 0.833 0.333 CA 1.394 7 residues pruned to eliminate duplicates Z: 29 25.599 1.975 0.775 0.529 0.893 0.714 CB 1.501 29 residues pruned to eliminate duplicates Z: 35 25.743 2.004 0.626 0.517 0.912 0.618 CB 1.461 14 residues pruned to eliminate duplicates Z: 17 23.716 1.873 0.769 0.860 0.938 0.750 CA 1.404 17 residues pruned to eliminate duplicates Z: 16 20.247 2.031 0.531 0.932 0.933 0.800 CB 1.258 16 residues pruned to eliminate duplicates Z: 25 29.372 2.243 0.921 0.422 0.958 0.667 CB 1.575 25 residues pruned to eliminate duplicates Z: 99 68.416 2.399 0.924 0.507 0.898 0.592 CB 1.655 99 residues pruned to eliminate duplicates Z: 7 4.351 1.766 0.122 0.733 0.833 0.833 CB 0.872 Z: 16 24.911 2.010 0.978 0.906 0.933 0.600 CB 1.233 16 residues pruned to eliminate duplicates Z: 8 3.073 1.733 0.198 0.247 0.714 0.286 CB 1.047 Z: 11 19.298 1.984 0.859 0.614 1.000 0.700 CA 1.485 17 residues pruned to eliminate duplicates Z: 27 27.597 1.989 0.639 0.614 1.000 0.654 CB 1.491 27 residues pruned to eliminate duplicates Z: 16 10.985 1.979 0.298 0.538 0.867 0.600 CB 1.227 11 residues pruned to eliminate duplicates Z: 10 26.715 2.074 1.066 0.876 1.000 0.889 CA 1.511 10 residues pruned to eliminate duplicates Z: 6 5.995 1.649 0.339 0.419 1.000 0.800 N 1.321 Z: 7 4.735 1.666 0.209 0.497 0.833 0.667 CB 1.155 7 residues pruned to eliminate duplicates Z: 31 20.651 2.016 0.471 0.589 0.900 0.600 CB 1.297 31 residues pruned to eliminate duplicates Z: 33 48.206 2.275 0.905 0.662 0.938 0.656 CB 1.804 33 residues pruned to eliminate duplicates Z: 6 6.035 1.775 0.295 0.631 1.000 0.400 CA 1.038 6 residues pruned to eliminate duplicates Z: 8 7.926 1.779 0.221 0.606 0.857 0.429 N 1.456 8 residues pruned to eliminate duplicates Z: 49 51.329 2.406 0.967 0.510 0.917 0.562 CB 1.690 49 residues pruned to eliminate duplicates Z: 14 15.185 1.865 0.383 0.847 0.923 0.615 CA 1.312 14 residues pruned to eliminate duplicates Z: 9 5.050 1.670 0.346 0.373 0.875 0.500 CB 1.040 Z: 59 26.927 2.020 0.597 0.490 0.897 0.621 CB 1.235 35 residues pruned to eliminate duplicates Z: 13 17.724 2.034 0.467 0.759 1.000 0.667 CB 1.362 13 residues pruned to eliminate duplicates Z: 52 28.922 1.957 0.609 0.522 0.941 0.608 CB 1.336 63 residues pruned to eliminate duplicates Z: 10 26.215 1.981 0.979 0.906 1.000 0.667 CA 1.585 Z: 15 29.003 1.960 1.044 0.908 0.929 0.571 CB 1.480 15 residues pruned to eliminate duplicates Z: 14 21.621 2.105 0.465 0.751 1.000 0.692 CA 1.555 14 residues pruned to eliminate duplicates Z: 15 36.638 2.190 0.996 0.932 1.000 0.571 CB 1.564 15 residues pruned to eliminate duplicates Z: 14 9.337 1.844 0.700 0.330 0.692 0.462 N 1.439 14 residues pruned to eliminate duplicates Z: 20 26.544 2.153 0.672 0.655 0.947 0.579 CB 1.546 20 residues pruned to eliminate duplicates Z: 20 35.730 2.211 1.021 0.733 0.947 0.632 CA 1.570 20 residues pruned to eliminate duplicates Z: 7 6.934 1.665 0.573 0.669 1.000 0.833 CB 0.924 16 residues pruned to eliminate duplicates Z: 6 4.048 1.556 0.651 0.493 0.800 0.400 N 0.888 Z: 26 35.749 2.171 1.079 0.625 0.920 0.520 CA 1.530 26 residues pruned to eliminate duplicates Z: 9 15.994 2.088 0.500 0.797 0.875 0.750 CA 1.591 9 residues pruned to eliminate duplicates Z: 97 45.661 2.004 0.652 0.530 0.948 0.604 CB 1.443 97 residues pruned to eliminate duplicates Z: 31 42.567 2.304 0.991 0.564 0.900 0.567 CB 1.769 31 residues pruned to eliminate duplicates Z: 8 2.793 1.454 0.482 0.337 0.571 0.571 CB 1.025 8 residues pruned to eliminate duplicates Z: 18 20.199 1.782 0.649 0.759 1.000 0.765 CB 1.324 18 residues pruned to eliminate duplicates Z: 7 3.626 1.642 0.284 0.249 0.667 0.333 N 1.406 Z: 12 13.906 2.028 0.523 0.434 0.909 0.545 CA 1.599 Z: 79 29.246 1.908 0.590 0.408 0.897 0.526 CB 1.340 79 residues pruned to eliminate duplicates Z: 22 17.717 2.028 0.684 0.419 0.952 0.667 CB 1.293 23 residues pruned to eliminate duplicates Z: 34 40.729 2.269 0.871 0.606 0.970 0.667 CB 1.557 34 residues pruned to eliminate duplicates Z: 27 18.422 2.076 0.874 0.327 0.769 0.500 CB 1.460 27 residues pruned to eliminate duplicates Z: 88 70.101 2.400 0.924 0.530 0.931 0.655 CB 1.698 88 residues pruned to eliminate duplicates Z: 10 9.615 1.780 0.762 0.360 0.778 0.667 CB 1.528 10 residues pruned to eliminate duplicates Z: 10 16.914 1.908 0.910 0.827 0.778 0.667 CB 1.499 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 13.275 1.903 0.356 0.503 0.882 0.588 CA 1.410 18 residues pruned to eliminate duplicates Z: 18 17.077 1.879 0.620 0.542 0.882 0.647 CB 1.480 18 residues pruned to eliminate duplicates Z: 13 16.057 2.062 0.780 0.533 0.750 0.333 CB 1.631 13 residues pruned to eliminate duplicates Z: 19 17.630 1.950 0.632 0.473 0.944 0.444 CB 1.420 15 residues pruned to eliminate duplicates Z: 11 20.207 1.862 0.923 0.873 1.000 0.800 CA 1.300 11 residues pruned to eliminate duplicates Z: 15 13.109 1.978 0.367 0.528 0.857 0.286 CB 1.470 15 residues pruned to eliminate duplicates Z: 18 13.664 1.901 0.460 0.499 0.882 0.529 CB 1.354 16 residues pruned to eliminate duplicates 6 1.556 1.317 0.491 0.385 1.000 0.800 CB 0.401 ? Z: 6 2.433 1.438 0.573 0.291 0.800 0.800 CA 0.760 6 residues pruned to eliminate duplicates Z: 19 40.269 2.249 0.954 0.725 1.000 0.889 CA 1.763 20 residues pruned to eliminate duplicates Z: 6 4.872 1.887 0.232 0.286 0.800 0.400 CB 1.490 6 residues pruned to eliminate duplicates Z: 19 34.249 2.193 0.848 0.668 1.000 0.889 CB 1.705 19 residues pruned to eliminate duplicates Z: 34 31.846 2.267 1.017 0.460 0.818 0.576 CB 1.543 34 residues pruned to eliminate duplicates Z: 12 25.312 2.198 1.004 0.697 1.000 0.818 CB 1.447 12 residues pruned to eliminate duplicates Z: 28 33.038 2.032 0.826 0.660 0.926 0.778 CB 1.595 28 residues pruned to eliminate duplicates Z: 19 38.179 2.161 1.102 0.723 1.000 0.833 CA 1.620 19 residues pruned to eliminate duplicates Z: 19 42.993 2.224 1.117 0.722 1.000 0.833 CB 1.761 19 residues pruned to eliminate duplicates Z: 9 11.218 1.583 0.975 0.482 1.000 0.625 CA 1.292 9 residues pruned to eliminate duplicates Z: 20 41.516 2.184 1.068 0.730 1.000 0.947 CA 1.716 19 residues pruned to eliminate duplicates Z: 10 14.374 2.163 0.712 0.728 0.667 0.444 CA 1.580 10 residues pruned to eliminate duplicates Z: 17 14.700 2.152 0.528 0.491 0.750 0.312 CB 1.505 17 residues pruned to eliminate duplicates Z: 19 13.442 2.036 0.475 0.515 0.833 0.444 CB 1.247 15 residues pruned to eliminate duplicates Z: 13 15.901 2.235 0.547 0.565 0.750 0.500 CB 1.662 13 residues pruned to eliminate duplicates Z: 67 48.694 2.203 0.897 0.467 0.955 0.591 CB 1.555 66 residues pruned to eliminate duplicates Z: 19 15.870 2.182 0.494 0.471 0.833 0.389 CB 1.418 19 residues pruned to eliminate duplicates Z: 17 15.048 2.173 0.550 0.494 0.750 0.375 CB 1.498 17 residues pruned to eliminate duplicates Z: 18 15.082 2.156 0.342 0.449 0.882 0.294 CB 1.509 18 residues pruned to eliminate duplicates Z: 32 34.060 2.106 0.856 0.563 0.968 0.581 CB 1.522 29 residues pruned to eliminate duplicates Z: 7 7.207 1.400 0.965 0.412 1.000 0.500 CA 1.173 7 residues pruned to eliminate duplicates Z: 30 34.467 2.139 0.823 0.592 0.931 0.724 CB 1.614 29 residues pruned to eliminate duplicates Z: 14 21.646 2.052 0.690 0.634 1.000 0.615 CB 1.527 14 residues pruned to eliminate duplicates Z: 33 35.428 2.095 0.808 0.598 0.938 0.688 CB 1.607 32 residues pruned to eliminate duplicates Z: 13 20.016 2.088 0.563 0.762 1.000 0.667 CB 1.403 13 residues pruned to eliminate duplicates Z: 45 42.018 2.098 0.817 0.599 0.932 0.795 CB 1.623 34 residues pruned to eliminate duplicates Z: 13 20.009 1.984 0.687 0.800 1.000 0.750 CB 1.327 13 residues pruned to eliminate duplicates Z: 29 32.564 2.111 0.771 0.604 0.929 0.571 CB 1.605 29 residues pruned to eliminate duplicates Z: 28 42.854 2.198 0.868 0.639 1.000 0.704 CB 1.764 29 residues pruned to eliminate duplicates Z: 14 19.460 1.960 0.677 0.811 1.000 0.538 CA 1.253 14 residues pruned to eliminate duplicates Z: 29 37.489 2.114 0.937 0.616 0.929 0.571 CB 1.670 29 residues pruned to eliminate duplicates Z: 45 34.350 2.066 0.808 0.483 0.932 0.568 CB 1.514 45 residues pruned to eliminate duplicates Z: 30 38.879 2.123 0.941 0.602 0.966 0.655 CB 1.647 30 residues pruned to eliminate duplicates Z: 28 44.846 2.195 0.985 0.656 1.000 0.704 CB 1.713 28 residues pruned to eliminate duplicates Z: 27 40.231 2.122 1.091 0.584 1.000 0.615 CA 1.641 27 residues pruned to eliminate duplicates Z: 29 38.560 2.180 0.912 0.606 0.964 0.750 CB 1.640 29 residues pruned to eliminate duplicates Z: 6 2.414 1.712 0.102 0.155 0.600 0.000 CB 1.455 6 residues pruned to eliminate duplicates Z: 28 35.684 2.143 0.858 0.643 0.963 0.667 CB 1.567 28 residues pruned to eliminate duplicates Z: 29 41.793 2.159 0.927 0.627 1.000 0.679 CB 1.685 29 residues pruned to eliminate duplicates Z: 27 37.430 2.123 0.893 0.591 1.000 0.731 CB 1.673 27 residues pruned to eliminate duplicates Z: 67 50.682 2.247 0.812 0.543 0.924 0.652 CB 1.591 111 residues pruned to eliminate duplicates Z: 30 39.393 2.155 0.922 0.595 1.000 0.586 CB 1.612 Z: 8 8.109 1.743 0.618 0.355 1.000 0.429 N 1.271 5 residues pruned to eliminate duplicates 6 1.619 1.555 0.358 0.200 0.800 0.600 CA 0.612 ? Z: 9 6.535 1.621 0.286 0.542 0.875 0.500 CB 1.216 Z: 7 6.176 1.578 1.023 0.332 1.000 0.167 CA 0.950 Z: 6 3.799 1.508 0.387 0.441 1.000 0.800 CA 0.863 Z: 7 4.617 1.541 0.329 0.439 0.833 0.667 CA 1.176 6 residues pruned to eliminate duplicates Z: 6 5.378 1.764 0.576 0.444 0.800 0.400 CA 1.145 6 residues pruned to eliminate duplicates Z: 29 40.901 2.352 0.923 0.573 0.929 0.643 CA 1.714 29 residues pruned to eliminate duplicates Z: 24 30.230 2.379 0.643 0.599 0.913 0.696 CA 1.607 24 residues pruned to eliminate duplicates Z: 157 84.290 2.316 0.888 0.519 0.929 0.609 CB 1.629 179 residues pruned to eliminate duplicates Z: 29 45.536 2.407 0.970 0.597 0.929 0.786 CB 1.782 29 residues pruned to eliminate duplicates Z: 28 45.579 2.419 0.847 0.622 0.963 0.741 CB 1.818 28 residues pruned to eliminate duplicates Z: 29 43.733 2.416 0.901 0.625 0.893 0.571 CA 1.791 29 residues pruned to eliminate duplicates Z: 29 43.794 2.426 0.831 0.598 0.964 0.571 CB 1.760 29 residues pruned to eliminate duplicates Z: 27 53.714 2.496 1.137 0.630 0.962 0.577 CB 1.818 27 residues pruned to eliminate duplicates Z: 29 50.698 2.394 1.130 0.611 0.929 0.607 CB 1.822 29 residues pruned to eliminate duplicates Z: 29 48.610 2.354 1.096 0.599 1.000 0.714 CB 1.695 29 residues pruned to eliminate duplicates Z: 28 50.929 2.413 1.125 0.610 0.963 0.593 CB 1.789 28 residues pruned to eliminate duplicates Z: 29 53.009 2.364 1.216 0.642 0.964 0.500 CB 1.737 29 residues pruned to eliminate duplicates Z: 30 50.582 2.389 1.317 0.599 0.897 0.483 CB 1.722 30 residues pruned to eliminate duplicates Z: 30 49.081 2.385 1.243 0.572 0.931 0.552 CB 1.707 30 residues pruned to eliminate duplicates Z: 29 50.633 2.411 1.168 0.604 0.964 0.500 CB 1.719 29 residues pruned to eliminate duplicates Z: 74 56.722 2.238 0.978 0.504 0.904 0.548 CB 1.652 70 residues pruned to eliminate duplicates Z: 29 48.794 2.402 1.100 0.614 0.964 0.571 CB 1.702 29 residues pruned to eliminate duplicates Z: 31 39.817 2.257 0.990 0.555 0.933 0.400 CB 1.643 31 residues pruned to eliminate duplicates Z: 23 41.641 2.348 1.023 0.627 0.955 0.545 CB 1.738 23 residues pruned to eliminate duplicates Z: 78 52.884 2.173 0.921 0.495 0.935 0.571 CB 1.551 78 residues pruned to eliminate duplicates Z: 40 48.751 2.289 0.880 0.613 1.000 0.692 CA 1.630 40 residues pruned to eliminate duplicates Z: 42 46.146 2.274 0.820 0.616 0.951 0.585 CA 1.641 42 residues pruned to eliminate duplicates Z: 19 24.070 2.084 0.620 0.691 1.000 0.944 CA 1.410 19 residues pruned to eliminate duplicates Z: 51 39.181 2.136 0.750 0.494 0.940 0.760 CA 1.586 51 residues pruned to eliminate duplicates Z: 19 26.372 2.050 0.738 0.702 1.000 0.833 CA 1.451 19 residues pruned to eliminate duplicates Z: 26 29.878 2.053 0.634 0.660 1.000 0.800 CA 1.535 26 residues pruned to eliminate duplicates Z: 136 76.082 2.322 0.835 0.511 0.919 0.652 CB 1.654 136 residues pruned to eliminate duplicates Z: 63 39.954 2.184 0.867 0.422 0.871 0.581 CB 1.550 63 residues pruned to eliminate duplicates Z: 137 78.938 2.321 0.915 0.518 0.912 0.684 CB 1.641 137 residues pruned to eliminate duplicates Z: 112 59.709 2.280 0.837 0.442 0.892 0.613 CB 1.610 112 residues pruned to eliminate duplicates Z: 105 68.213 2.325 0.861 0.516 0.933 0.548 CB 1.631 105 residues pruned to eliminate duplicates Z: 144 84.687 2.286 1.020 0.519 0.930 0.622 CB 1.619 144 residues pruned to eliminate duplicates Z: 51 40.619 2.172 0.875 0.475 0.940 0.700 CB 1.539 51 residues pruned to eliminate duplicates Z: 55 42.589 2.173 0.966 0.433 0.963 0.593 CB 1.510 55 residues pruned to eliminate duplicates Z: 50 43.820 2.173 0.923 0.481 0.980 0.571 CB 1.558 50 residues pruned to eliminate duplicates Z: 28 20.975 1.929 0.712 0.490 0.852 0.556 CB 1.450 28 residues pruned to eliminate duplicates Z: 62 44.846 2.160 0.862 0.459 0.951 0.607 CB 1.565 62 residues pruned to eliminate duplicates Z: 137 84.131 2.332 0.915 0.517 0.963 0.662 CB 1.649 137 residues pruned to eliminate duplicates Z: 137 78.980 2.330 0.919 0.528 0.919 0.581 CB 1.604 137 residues pruned to eliminate duplicates Z: 43 37.259 2.122 0.966 0.480 0.952 0.595 CB 1.477 43 residues pruned to eliminate duplicates Z: 146 79.522 2.319 0.921 0.485 0.931 0.600 CB 1.616 146 residues pruned to eliminate duplicates Z: 51 39.920 2.187 0.963 0.464 0.920 0.640 CB 1.482 51 residues pruned to eliminate duplicates Z: 52 37.897 2.164 0.914 0.478 0.882 0.627 CB 1.484 52 residues pruned to eliminate duplicates Z: 40 40.760 2.144 1.080 0.553 0.949 0.487 CB 1.466 40 residues pruned to eliminate duplicates Z: 149 75.133 2.307 0.891 0.508 0.878 0.588 CB 1.599 149 residues pruned to eliminate duplicates Z: 76 56.805 2.246 1.012 0.494 0.933 0.533 CB 1.565 76 residues pruned to eliminate duplicates Z: 117 64.339 2.345 0.804 0.479 0.879 0.612 CB 1.641 117 residues pruned to eliminate duplicates Z: 54 39.966 2.143 1.018 0.440 0.906 0.660 CB 1.490 54 residues pruned to eliminate duplicates Z: 85 48.094 2.303 0.770 0.385 0.893 0.571 CB 1.629 85 residues pruned to eliminate duplicates Z: 56 41.890 2.203 0.937 0.457 0.909 0.618 CB 1.521 56 residues pruned to eliminate duplicates Z: 46 36.217 2.156 1.051 0.390 0.933 0.467 CB 1.469 46 residues pruned to eliminate duplicates Z: 63 43.540 2.181 0.953 0.433 0.919 0.548 CB 1.514 63 residues pruned to eliminate duplicates Z: 52 43.788 2.179 0.988 0.488 0.961 0.627 CB 1.491 52 residues pruned to eliminate duplicates Z: 137 83.259 2.328 0.949 0.520 0.949 0.654 CB 1.626 137 residues pruned to eliminate duplicates Z: 54 43.814 2.179 1.128 0.437 0.943 0.698 CB 1.468 54 residues pruned to eliminate duplicates Z: 52 44.441 2.199 1.068 0.462 0.961 0.569 CB 1.480 52 residues pruned to eliminate duplicates Z: 136 75.565 2.311 0.881 0.500 0.904 0.637 CB 1.655 136 residues pruned to eliminate duplicates Z: 104 57.946 2.281 0.727 0.501 0.903 0.544 CB 1.603 104 residues pruned to eliminate duplicates Z: 52 46.552 2.234 1.037 0.481 0.922 0.745 CB 1.584 52 residues pruned to eliminate duplicates Z: 72 57.763 2.264 0.949 0.525 0.944 0.634 CB 1.607 72 residues pruned to eliminate duplicates Z: 53 40.618 2.184 0.946 0.465 0.904 0.635 CB 1.520 53 residues pruned to eliminate duplicates Z: 51 45.145 2.245 1.025 0.460 0.940 0.600 CB 1.556 51 residues pruned to eliminate duplicates Z: 69 60.097 2.412 0.910 0.445 0.971 0.603 CB 1.725 69 residues pruned to eliminate duplicates Z: 51 45.973 2.234 0.950 0.478 0.980 0.700 CB 1.557 51 residues pruned to eliminate duplicates Z: 106 64.335 2.305 0.946 0.483 0.905 0.600 CB 1.574 106 residues pruned to eliminate duplicates Z: 99 70.149 2.400 1.003 0.487 0.888 0.622 CB 1.681 99 residues pruned to eliminate duplicates Z: 136 77.345 2.330 0.922 0.514 0.911 0.607 CB 1.609 136 residues pruned to eliminate duplicates Z: 47 47.745 2.224 1.079 0.497 0.957 0.630 CB 1.596 47 residues pruned to eliminate duplicates Z: 136 80.403 2.324 0.935 0.508 0.941 0.637 CB 1.624 136 residues pruned to eliminate duplicates Z: 96 71.623 2.366 0.916 0.527 0.937 0.568 CB 1.685 96 residues pruned to eliminate duplicates Z: 133 69.693 2.258 0.869 0.493 0.924 0.621 CB 1.566 133 residues pruned to eliminate duplicates Z: 91 70.308 2.390 0.904 0.557 0.922 0.633 CB 1.671 91 residues pruned to eliminate duplicates Z: 89 70.518 2.410 0.871 0.545 0.932 0.705 CB 1.712 89 residues pruned to eliminate duplicates Z: 136 76.720 2.309 0.910 0.524 0.911 0.630 CB 1.604 136 residues pruned to eliminate duplicates Z: 89 71.739 2.389 0.969 0.536 0.920 0.580 CB 1.705 89 residues pruned to eliminate duplicates Z: 60 49.023 2.378 0.832 0.489 0.881 0.542 CB 1.680 60 residues pruned to eliminate duplicates Z: 94 66.322 2.335 0.862 0.540 0.903 0.581 CB 1.685 94 residues pruned to eliminate duplicates Z: 63 46.706 2.394 0.797 0.488 0.871 0.629 CB 1.602 63 residues pruned to eliminate duplicates Z: 44 45.613 2.412 0.865 0.612 0.884 0.581 CB 1.573 44 residues pruned to eliminate duplicates Z: 44 58.087 2.466 1.062 0.608 0.907 0.605 CB 1.735 44 residues pruned to eliminate duplicates Z: 59 47.031 2.426 0.881 0.510 0.862 0.534 CB 1.554 59 residues pruned to eliminate duplicates Z: 142 79.856 2.279 0.944 0.532 0.929 0.582 CB 1.583 142 residues pruned to eliminate duplicates Z: 101 62.951 2.303 0.904 0.503 0.900 0.520 CB 1.591 101 residues pruned to eliminate duplicates Z: 25 42.486 2.417 1.034 0.671 0.917 0.292 CB 1.645 25 residues pruned to eliminate duplicates Z: 59 54.568 2.456 0.921 0.520 0.897 0.517 CB 1.661 59 residues pruned to eliminate duplicates Z: 91 66.960 2.418 0.933 0.540 0.878 0.544 CB 1.653 91 residues pruned to eliminate duplicates Z: 70 60.907 2.364 0.972 0.565 0.913 0.493 CB 1.617 70 residues pruned to eliminate duplicates Z: 86 65.235 2.392 0.965 0.547 0.871 0.506 CB 1.651 86 residues pruned to eliminate duplicates Z: 90 68.962 2.391 1.001 0.514 0.899 0.483 CB 1.677 90 residues pruned to eliminate duplicates Z: 112 72.188 2.347 0.902 0.541 0.910 0.559 CB 1.621 122 residues pruned to eliminate duplicates Z: 21 38.567 2.318 1.117 0.805 0.850 0.450 CB 1.584 21 residues pruned to eliminate duplicates Z: 90 71.817 2.427 1.020 0.520 0.921 0.596 CB 1.653 90 residues pruned to eliminate duplicates Z: 60 60.092 2.414 1.097 0.524 0.949 0.492 CB 1.590 60 residues pruned to eliminate duplicates Z: 64 58.182 2.367 0.972 0.520 0.952 0.571 CB 1.617 64 residues pruned to eliminate duplicates Z: 56 43.303 2.344 0.844 0.511 0.855 0.582 CB 1.564 56 residues pruned to eliminate duplicates Z: 63 56.960 2.394 0.974 0.493 0.919 0.629 CB 1.676 63 residues pruned to eliminate duplicates Z: 91 73.820 2.415 1.030 0.550 0.900 0.589 CB 1.680 91 residues pruned to eliminate duplicates Z: 67 54.528 2.327 0.982 0.466 0.909 0.561 CB 1.657 67 residues pruned to eliminate duplicates Z: 90 69.188 2.433 0.946 0.542 0.876 0.596 CB 1.697 90 residues pruned to eliminate duplicates Z: 86 73.582 2.410 0.960 0.535 0.965 0.600 CB 1.692 86 residues pruned to eliminate duplicates Z: 87 73.010 2.429 1.009 0.546 0.919 0.593 CB 1.678 87 residues pruned to eliminate duplicates Z: 50 52.231 2.428 1.067 0.519 0.857 0.633 CB 1.701 50 residues pruned to eliminate duplicates Z: 22 27.084 2.353 0.968 0.299 0.857 0.619 CA 1.863 22 residues pruned to eliminate duplicates Z: 76 65.419 2.394 0.983 0.482 0.907 0.613 CB 1.786 88 residues pruned to eliminate duplicates Z: 9 19.008 2.235 0.879 0.601 1.000 0.250 CA 1.453 9 residues pruned to eliminate duplicates Z: 56 51.036 2.439 0.962 0.491 0.909 0.618 CB 1.597 56 residues pruned to eliminate duplicates Z: 54 53.750 2.420 0.943 0.520 0.925 0.623 CB 1.664 54 residues pruned to eliminate duplicates Z: 59 39.237 2.164 0.903 0.432 0.897 0.569 CB 1.497 59 residues pruned to eliminate duplicates Z: 56 51.051 2.416 0.930 0.495 0.927 0.491 CB 1.600 56 residues pruned to eliminate duplicates Z: 87 75.925 2.435 0.932 0.555 0.953 0.628 CB 1.730 87 residues pruned to eliminate duplicates Z: 89 77.896 2.432 1.118 0.541 0.909 0.614 CB 1.704 89 residues pruned to eliminate duplicates Z: 33 30.558 2.337 0.989 0.367 0.875 0.562 CB 1.532 33 residues pruned to eliminate duplicates Z: 92 71.619 2.415 0.942 0.532 0.923 0.527 CB 1.680 92 residues pruned to eliminate duplicates Z: 62 56.482 2.409 0.945 0.481 0.934 0.574 CB 1.685 62 residues pruned to eliminate duplicates Z: 64 61.547 2.400 1.072 0.487 0.921 0.619 CB 1.716 64 residues pruned to eliminate duplicates Z: 85 55.740 2.375 0.965 0.432 0.893 0.560 CB 1.566 85 residues pruned to eliminate duplicates Z: 17 16.281 2.163 0.704 0.345 0.875 0.500 CA 1.494 17 residues pruned to eliminate duplicates Z: 62 55.387 2.432 1.018 0.456 0.885 0.574 CB 1.707 62 residues pruned to eliminate duplicates Z: 40 46.569 2.377 0.876 0.541 0.923 0.641 CB 1.741 40 residues pruned to eliminate duplicates Z: 86 75.745 2.440 1.003 0.537 0.918 0.682 CB 1.767 86 residues pruned to eliminate duplicates Z: 41 46.138 2.294 0.952 0.531 0.925 0.575 CB 1.708 41 residues pruned to eliminate duplicates Z: 86 71.636 2.406 1.019 0.532 0.929 0.600 CB 1.667 86 residues pruned to eliminate duplicates Z: 16 15.916 2.134 0.905 0.429 0.800 0.667 CB 1.361 16 residues pruned to eliminate duplicates Z: 64 61.578 2.399 1.024 0.489 0.952 0.619 CB 1.697 64 residues pruned to eliminate duplicates Z: 145 81.757 2.332 1.001 0.507 0.882 0.611 CB 1.644 145 residues pruned to eliminate duplicates Z: 48 46.668 2.256 1.009 0.493 0.936 0.596 CB 1.616 48 residues pruned to eliminate duplicates Z: 98 79.003 2.417 0.962 0.554 0.897 0.619 CB 1.790 98 residues pruned to eliminate duplicates Z: 91 70.897 2.419 0.915 0.533 0.911 0.611 CB 1.715 91 residues pruned to eliminate duplicates Z: 91 71.704 2.396 1.053 0.533 0.911 0.589 CB 1.633 91 residues pruned to eliminate duplicates Z: 31 54.570 2.341 1.168 0.595 0.967 0.667 CA 1.854 31 residues pruned to eliminate duplicates Z: 88 66.114 2.403 0.869 0.524 0.908 0.655 CB 1.698 88 residues pruned to eliminate duplicates Z: 55 51.716 2.301 0.951 0.508 0.889 0.537 CB 1.750 55 residues pruned to eliminate duplicates Z: 32 43.890 2.268 0.967 0.554 1.000 0.613 CB 1.676 32 residues pruned to eliminate duplicates Z: 32 50.122 2.346 1.137 0.581 0.968 0.677 CB 1.717 32 residues pruned to eliminate duplicates Z: 134 86.201 2.346 1.010 0.524 0.947 0.639 CB 1.634 134 residues pruned to eliminate duplicates Z: 103 78.708 2.414 1.023 0.524 0.902 0.618 CB 1.727 103 residues pruned to eliminate duplicates Z: 88 73.060 2.428 0.975 0.528 0.920 0.609 CB 1.727 88 residues pruned to eliminate duplicates Z: 34 46.231 2.351 1.005 0.580 0.939 0.606 CB 1.683 34 residues pruned to eliminate duplicates Z: 40 52.314 2.374 0.978 0.587 0.949 0.667 CB 1.730 40 residues pruned to eliminate duplicates Z: 87 77.496 2.443 1.019 0.539 0.953 0.651 CB 1.710 87 residues pruned to eliminate duplicates Z: 32 46.917 2.305 0.976 0.534 0.968 0.677 CA 1.850 32 residues pruned to eliminate duplicates Z: 33 37.266 2.271 0.938 0.489 0.875 0.531 CA 1.729 33 residues pruned to eliminate duplicates Z: 40 52.499 2.326 0.898 0.611 0.974 0.667 CB 1.760 40 residues pruned to eliminate duplicates Z: 63 45.884 2.353 0.834 0.409 0.887 0.516 CB 1.675 63 residues pruned to eliminate duplicates Z: 57 51.129 2.250 0.836 0.541 0.929 0.607 CB 1.711 80 residues pruned to eliminate duplicates Z: 31 57.777 2.358 1.118 0.599 1.000 0.633 CB 1.922 31 residues pruned to eliminate duplicates Z: 32 52.027 2.362 1.073 0.591 0.968 0.710 CA 1.808 32 residues pruned to eliminate duplicates Z: 65 62.479 2.410 1.095 0.463 0.922 0.672 CB 1.742 65 residues pruned to eliminate duplicates Z: 99 80.681 2.399 1.114 0.546 0.867 0.582 CB 1.772 99 residues pruned to eliminate duplicates Z: 33 49.407 2.284 1.206 0.586 0.906 0.656 CA 1.762 33 residues pruned to eliminate duplicates Z: 45 50.400 2.255 0.892 0.621 0.955 0.636 CB 1.665 45 residues pruned to eliminate duplicates Z: 137 86.813 2.343 1.043 0.515 0.941 0.596 CB 1.628 137 residues pruned to eliminate duplicates Z: 49 55.466 2.288 1.052 0.566 0.917 0.646 CA 1.745 46 residues pruned to eliminate duplicates Z: 6 2.562 1.583 0.471 0.219 0.800 0.400 CB 0.855 6 residues pruned to eliminate duplicates Z: 29 30.133 2.117 0.620 0.609 0.964 0.750 CA 1.551 29 residues pruned to eliminate duplicates Z: 30 31.675 2.099 0.868 0.594 0.931 0.655 CB 1.472 30 residues pruned to eliminate duplicates Z: 17 24.627 2.209 0.526 0.824 1.000 1.000 CA 1.380 17 residues pruned to eliminate duplicates Z: 29 26.580 2.094 0.597 0.547 0.964 0.679 CA 1.487 29 residues pruned to eliminate duplicates Z: 26 26.677 2.072 0.601 0.600 0.960 0.800 CA 1.524 26 residues pruned to eliminate duplicates Z: 29 35.536 2.124 0.901 0.622 0.964 0.679 CA 1.538 29 residues pruned to eliminate duplicates Z: 30 32.255 2.049 0.733 0.580 1.000 0.655 CA 1.563 30 residues pruned to eliminate duplicates Z: 31 31.717 2.019 0.819 0.553 0.967 0.733 CA 1.549 31 residues pruned to eliminate duplicates Z: 29 30.205 2.075 0.746 0.600 0.964 0.714 CA 1.484 29 residues pruned to eliminate duplicates Z: 29 33.504 2.133 0.836 0.633 0.964 0.643 CB 1.480 29 residues pruned to eliminate duplicates Z: 30 34.747 2.113 0.855 0.607 0.966 0.517 CB 1.540 30 residues pruned to eliminate duplicates Z: 15 41.278 2.217 1.038 0.934 1.000 0.571 CB 1.702 15 residues pruned to eliminate duplicates Z: 31 30.346 2.052 0.768 0.587 0.933 0.667 CB 1.505 32 residues pruned to eliminate duplicates Z: 14 35.734 2.302 1.266 0.916 0.923 0.538 CB 1.453 14 residues pruned to eliminate duplicates Z: 31 33.896 2.049 0.995 0.590 0.933 0.633 CA 1.489 31 residues pruned to eliminate duplicates Z: 31 32.207 2.071 0.744 0.598 0.967 0.733 CB 1.534 29 residues pruned to eliminate duplicates Z: 16 33.719 2.185 0.960 0.805 0.933 0.533 CA 1.669 16 residues pruned to eliminate duplicates Z: 29 32.946 2.078 0.802 0.611 0.964 0.500 CA 1.552 29 residues pruned to eliminate duplicates Z: 27 31.421 2.140 0.842 0.643 0.885 0.500 CB 1.546 27 residues pruned to eliminate duplicates Z: 27 31.741 2.087 0.765 0.591 0.962 0.654 CA 1.611 29 residues pruned to eliminate duplicates Z: 7 4.689 1.545 0.581 0.430 0.833 0.333 CB 1.011 7 residues pruned to eliminate duplicates Z: 36 22.574 1.938 0.488 0.537 0.914 0.629 CB 1.395 36 residues pruned to eliminate duplicates Z: 72 36.791 1.997 0.592 0.514 0.958 0.648 CB 1.414 72 residues pruned to eliminate duplicates Z: 37 25.145 1.933 0.623 0.493 0.944 0.639 CB 1.424 37 residues pruned to eliminate duplicates Z: 40 23.441 1.912 0.672 0.473 0.872 0.692 CB 1.385 40 residues pruned to eliminate duplicates Z: 85 41.227 2.017 0.717 0.515 0.917 0.607 CB 1.396 85 residues pruned to eliminate duplicates Z: 30 29.212 1.939 0.777 0.595 0.966 0.724 CB 1.488 30 residues pruned to eliminate duplicates Z: 49 26.752 1.930 0.700 0.454 0.875 0.688 CB 1.410 49 residues pruned to eliminate duplicates Z: 73 38.911 1.991 0.664 0.524 0.958 0.639 CB 1.410 73 residues pruned to eliminate duplicates Z: 20 22.258 1.924 0.790 0.624 0.947 0.526 CB 1.393 20 residues pruned to eliminate duplicates Z: 32 26.633 1.910 0.760 0.561 0.903 0.710 CB 1.484 32 residues pruned to eliminate duplicates Z: 40 26.658 1.936 0.706 0.493 0.949 0.615 CB 1.373 40 residues pruned to eliminate duplicates Z: 74 39.381 1.993 0.746 0.531 0.904 0.712 CB 1.421 74 residues pruned to eliminate duplicates Z: 30 19.649 1.777 0.625 0.561 0.897 0.552 CB 1.329 30 residues pruned to eliminate duplicates Z: 30 25.622 1.911 0.835 0.570 0.897 0.655 CB 1.414 30 residues pruned to eliminate duplicates Z: 30 21.817 1.825 0.636 0.548 0.897 0.552 CB 1.445 30 residues pruned to eliminate duplicates Z: 72 37.968 1.982 0.674 0.523 0.958 0.620 CB 1.386 72 residues pruned to eliminate duplicates Z: 73 37.997 1.983 0.665 0.511 0.986 0.583 CB 1.360 73 residues pruned to eliminate duplicates Z: 33 24.246 1.872 0.750 0.561 0.906 0.781 CB 1.361 33 residues pruned to eliminate duplicates Z: 52 26.211 2.014 0.551 0.438 0.922 0.588 CB 1.360 52 residues pruned to eliminate duplicates Z: 12 10.887 1.826 0.696 0.355 0.909 0.727 CB 1.365 12 residues pruned to eliminate duplicates Z: 35 17.739 1.988 0.534 0.277 0.941 0.559 CB 1.364 35 residues pruned to eliminate duplicates Z: 61 38.990 1.991 0.761 0.567 0.933 0.700 CB 1.442 61 residues pruned to eliminate duplicates Z: 32 14.849 1.964 0.460 0.283 0.903 0.581 CB 1.315 32 residues pruned to eliminate duplicates Z: 71 36.348 2.006 0.634 0.523 0.929 0.629 CB 1.396 71 residues pruned to eliminate duplicates Z: 50 29.438 1.954 0.857 0.456 0.939 0.571 CB 1.291 50 residues pruned to eliminate duplicates Z: 52 27.110 2.036 0.601 0.446 0.882 0.686 CB 1.395 52 residues pruned to eliminate duplicates Z: 32 16.573 1.894 0.514 0.307 0.935 0.548 CB 1.375 32 residues pruned to eliminate duplicates Z: 49 25.512 2.034 0.511 0.443 0.938 0.604 CB 1.355 49 residues pruned to eliminate duplicates Z: 76 41.677 2.015 0.788 0.498 0.960 0.627 CB 1.394 75 residues pruned to eliminate duplicates Z: 6 5.813 1.951 0.294 0.347 1.000 0.600 CB 1.215 6 residues pruned to eliminate duplicates Z: 71 39.988 2.004 0.693 0.533 0.986 0.686 CB 1.383 71 residues pruned to eliminate duplicates Z: 21 14.794 2.008 0.623 0.272 0.950 0.600 CB 1.385 21 residues pruned to eliminate duplicates Z: 50 26.323 2.042 0.509 0.471 0.918 0.673 CB 1.370 50 residues pruned to eliminate duplicates Z: 51 24.181 2.009 0.396 0.440 0.940 0.660 CB 1.381 51 residues pruned to eliminate duplicates Z: 72 36.860 2.014 0.595 0.533 0.958 0.746 CB 1.376 72 residues pruned to eliminate duplicates Z: 30 15.341 1.983 0.646 0.234 0.931 0.586 CB 1.276 30 residues pruned to eliminate duplicates Z: 34 23.588 2.021 0.650 0.507 0.939 0.636 CB 1.301 34 residues pruned to eliminate duplicates Z: 32 25.110 2.029 0.571 0.570 0.935 0.677 CB 1.413 32 residues pruned to eliminate duplicates Z: 30 14.559 1.906 0.441 0.378 0.862 0.586 CB 1.301 30 residues pruned to eliminate duplicates Z: 33 26.595 2.085 0.527 0.530 1.000 0.750 CB 1.433 33 residues pruned to eliminate duplicates Z: 13 12.066 2.043 0.692 0.378 0.917 0.750 CB 1.252 13 residues pruned to eliminate duplicates Z: 41 27.314 2.095 0.771 0.453 0.850 0.525 CB 1.437 41 residues pruned to eliminate duplicates Z: 51 27.187 2.030 0.590 0.453 0.940 0.640 CB 1.330 51 residues pruned to eliminate duplicates Z: 72 36.817 1.990 0.651 0.513 0.958 0.704 CB 1.370 72 residues pruned to eliminate duplicates Z: 27 24.912 2.103 0.531 0.635 0.962 0.769 CB 1.391 27 residues pruned to eliminate duplicates Z: 27 26.566 2.096 0.484 0.643 1.000 0.692 CB 1.466 27 residues pruned to eliminate duplicates Z: 71 29.993 2.019 0.614 0.436 0.900 0.643 CB 1.307 71 residues pruned to eliminate duplicates Z: 30 25.107 1.986 0.622 0.606 0.931 0.793 CB 1.406 30 residues pruned to eliminate duplicates Z: 71 36.143 1.996 0.684 0.531 0.943 0.657 CB 1.322 71 residues pruned to eliminate duplicates Z: 72 34.995 2.008 0.669 0.517 0.887 0.690 CB 1.373 72 residues pruned to eliminate duplicates Z: 49 24.925 2.056 0.540 0.533 0.875 0.562 CB 1.257 49 residues pruned to eliminate duplicates Z: 26 23.285 2.099 0.558 0.626 0.920 0.600 CB 1.374 26 residues pruned to eliminate duplicates Z: 26 25.449 2.143 0.543 0.670 0.920 0.640 CB 1.430 26 residues pruned to eliminate duplicates Z: 25 26.424 2.116 0.642 0.660 0.958 0.625 CB 1.395 25 residues pruned to eliminate duplicates Z: 28 23.918 2.073 0.543 0.602 0.926 0.556 CB 1.410 28 residues pruned to eliminate duplicates Z: 32 25.803 2.026 0.632 0.610 0.871 0.710 CB 1.449 32 residues pruned to eliminate duplicates Z: 26 23.905 2.060 0.670 0.660 0.880 0.520 CB 1.361 26 residues pruned to eliminate duplicates Z: 31 22.704 1.929 0.718 0.629 0.867 0.567 CB 1.278 31 residues pruned to eliminate duplicates Z: 25 30.074 2.114 0.777 0.660 1.000 0.542 CB 1.408 25 residues pruned to eliminate duplicates Z: 37 28.002 2.107 0.605 0.634 0.917 0.667 CB 1.328 37 residues pruned to eliminate duplicates Z: 29 18.941 2.024 0.730 0.612 0.750 0.571 CB 1.226 29 residues pruned to eliminate duplicates Z: 25 21.829 2.082 0.655 0.646 0.833 0.542 CB 1.354 25 residues pruned to eliminate duplicates Z: 27 27.868 2.071 0.705 0.668 0.923 0.538 CB 1.435 27 residues pruned to eliminate duplicates Z: 51 25.887 2.044 0.550 0.451 0.900 0.580 CB 1.350 51 residues pruned to eliminate duplicates Z: 25 23.924 2.098 0.746 0.621 0.875 0.542 CB 1.359 25 residues pruned to eliminate duplicates Z: 28 24.037 2.084 0.749 0.614 0.889 0.519 CB 1.282 28 residues pruned to eliminate duplicates Z: 23 22.857 2.010 0.646 0.688 0.864 0.682 CB 1.436 23 residues pruned to eliminate duplicates Z: 36 19.460 1.975 0.617 0.504 0.886 0.514 CB 1.159 36 residues pruned to eliminate duplicates Z: 16 21.738 2.193 0.756 0.559 0.933 0.733 CB 1.475 22 residues pruned to eliminate duplicates Z: 7 13.003 2.020 1.056 0.517 0.833 0.500 CA 1.508 7 residues pruned to eliminate duplicates Z: 16 23.171 2.212 0.833 0.560 0.933 0.733 CB 1.493 16 residues pruned to eliminate duplicates Z: 9 9.742 1.761 0.816 0.616 1.000 0.625 CA 0.966 9 residues pruned to eliminate duplicates Z: 20 15.134 2.067 0.547 0.370 0.895 0.632 CB 1.395 20 residues pruned to eliminate duplicates Z: 25 16.424 1.945 0.640 0.356 0.917 0.625 CB 1.339 25 residues pruned to eliminate duplicates Z: 22 18.055 2.042 0.592 0.416 0.905 0.619 CB 1.462 22 residues pruned to eliminate duplicates Z: 23 15.546 1.991 0.561 0.353 0.909 0.455 CB 1.375 23 residues pruned to eliminate duplicates Z: 23 16.210 2.023 0.693 0.400 0.909 0.591 CB 1.233 23 residues pruned to eliminate duplicates Z: 45 31.377 2.040 0.788 0.500 0.932 0.568 CB 1.392 46 residues pruned to eliminate duplicates 336 residues left after pruning, divided into chains as follows: A: 13 B: 177 C: 114 D: 32 CC for partial structure against native data = 36.11 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.595, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.696, Connect. = 0.737 for dens.mod. cycle 2 = 0.300, Contrast = 0.840, Connect. = 0.773 for dens.mod. cycle 3 = 0.300, Contrast = 0.867, Connect. = 0.777 for dens.mod. cycle 4 = 0.300, Contrast = 0.890, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.899, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.907, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.910, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.913, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.913, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2102 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 448 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 39.598 2.487 0.799 0.938 0.923 0.923 CB 1.850 B: 91 67.340 2.423 0.924 0.531 0.867 0.578 CB 1.705 14 residues pruned to eliminate duplicates C: 14 38.209 2.629 0.819 0.920 0.923 0.846 CA 1.691 D: 14 50.125 2.599 1.135 0.934 1.000 0.769 CA 1.747 14 residues pruned to eliminate duplicates E: 57 56.027 2.432 1.054 0.516 0.893 0.571 CB 1.651 54 residues pruned to eliminate duplicates F: 111 75.709 2.418 0.983 0.490 0.882 0.609 CB 1.725 94 residues pruned to eliminate duplicates G: 15 18.972 1.992 0.795 0.619 0.857 0.786 CA 1.478 H: 52 41.793 2.172 1.040 0.459 0.922 0.647 CB 1.495 29 residues pruned to eliminate duplicates I: 9 4.349 1.923 0.035 0.612 0.625 0.625 CA 1.112 9 residues pruned to eliminate duplicates J: 16 40.359 2.468 0.795 0.935 0.933 0.667 CA 1.756 16 residues pruned to eliminate duplicates K: 6 14.193 2.195 1.092 0.614 0.800 0.600 C 1.551 9 residues pruned to eliminate duplicates L: 13 37.851 2.626 0.829 0.918 0.917 0.750 CA 1.751 13 residues pruned to eliminate duplicates M: 12 24.565 2.141 1.364 0.660 0.818 0.636 CA 1.543 13 residues pruned to eliminate duplicates N: 62 52.295 2.401 0.940 0.445 0.902 0.541 CB 1.687 62 residues pruned to eliminate duplicates O: 15 34.797 2.134 0.981 0.882 1.000 0.643 CA 1.592 P: 15 30.920 2.475 0.600 0.851 0.929 0.714 CA 1.664 15 residues pruned to eliminate duplicates Q: 12 21.272 2.162 0.846 0.502 1.000 0.636 CA 1.604 R: 16 42.707 2.458 0.828 0.949 0.933 0.667 CA 1.815 16 residues pruned to eliminate duplicates S: 18 41.626 2.311 1.154 0.881 0.882 0.588 CB 1.664 18 residues pruned to eliminate duplicates T: 32 51.991 2.365 0.968 0.608 0.968 0.710 CB 1.871 30 residues pruned to eliminate duplicates U: 88 73.345 2.390 0.994 0.553 0.920 0.575 CB 1.705 88 residues pruned to eliminate duplicates V: 14 40.644 2.604 0.987 0.944 0.923 0.923 CA 1.635 14 residues pruned to eliminate duplicates W: 18 27.609 2.285 0.434 0.927 0.882 0.706 CA 1.623 18 residues pruned to eliminate duplicates X: 15 39.901 2.449 1.017 0.852 1.000 0.714 CA 1.596 14 residues pruned to eliminate duplicates Y: 12 39.716 2.593 0.851 0.918 1.000 0.909 CA 1.760 12 residues pruned to eliminate duplicates Z: 14 25.295 2.131 0.648 0.800 0.923 0.692 CB 1.664 14 residues pruned to eliminate duplicates Z: 10 19.328 2.009 0.736 0.844 0.889 0.667 CA 1.546 Z: 15 26.843 2.072 0.921 0.916 1.000 0.857 CA 1.273 15 residues pruned to eliminate duplicates Z: 38 53.199 2.364 1.029 0.600 0.946 0.676 CB 1.751 38 residues pruned to eliminate duplicates Z: 15 46.811 2.534 1.191 0.903 0.929 0.643 CB 1.730 16 residues pruned to eliminate duplicates Z: 17 37.057 2.329 1.020 0.870 0.875 0.750 CB 1.642 17 residues pruned to eliminate duplicates Z: 12 14.286 1.715 1.040 0.737 0.818 0.545 CB 1.217 Z: 29 48.979 2.462 1.109 0.613 0.893 0.429 CB 1.794 19 residues pruned to eliminate duplicates Z: 33 34.602 2.021 0.884 0.585 0.938 0.562 CB 1.579 7 residues pruned to eliminate duplicates Z: 21 20.991 2.065 0.676 0.589 0.950 0.700 CB 1.311 12 residues pruned to eliminate duplicates Z: 14 59.658 2.628 1.367 0.938 1.000 0.538 CA 1.850 14 residues pruned to eliminate duplicates Z: 85 78.382 2.440 1.069 0.569 0.905 0.536 CB 1.751 87 residues pruned to eliminate duplicates Z: 11 23.401 2.241 0.827 0.786 1.000 0.700 CB 1.405 11 residues pruned to eliminate duplicates Z: 29 54.592 2.382 1.185 0.633 0.893 0.571 CB 1.958 29 residues pruned to eliminate duplicates Z: 11 17.967 1.874 0.753 0.826 0.900 0.700 CA 1.449 11 residues pruned to eliminate duplicates Z: 16 21.570 1.949 0.513 0.910 1.000 0.867 CA 1.340 16 residues pruned to eliminate duplicates Z: 18 35.345 2.302 0.806 0.891 0.941 0.588 CB 1.575 18 residues pruned to eliminate duplicates Z: 14 26.451 2.125 0.856 0.720 0.923 0.615 CA 1.652 14 residues pruned to eliminate duplicates Z: 14 24.127 2.095 0.532 0.781 1.000 0.692 CA 1.628 14 residues pruned to eliminate duplicates Z: 151 76.893 2.271 0.870 0.508 0.920 0.620 CB 1.595 151 residues pruned to eliminate duplicates Z: 9 22.250 2.196 0.781 0.851 0.875 0.750 CB 1.701 12 residues pruned to eliminate duplicates Z: 102 77.581 2.403 1.011 0.551 0.861 0.574 CB 1.765 99 residues pruned to eliminate duplicates Z: 9 11.500 2.169 0.280 0.846 0.750 0.625 CA 1.451 9 residues pruned to eliminate duplicates Z: 16 38.892 2.398 1.016 0.852 0.933 0.667 CA 1.647 16 residues pruned to eliminate duplicates Z: 9 22.910 2.168 0.846 0.842 1.000 0.750 CB 1.509 9 residues pruned to eliminate duplicates Z: 15 25.037 2.112 0.603 0.911 0.929 0.786 CA 1.508 15 residues pruned to eliminate duplicates Z: 16 34.282 2.450 0.659 0.893 0.933 0.800 CA 1.676 16 residues pruned to eliminate duplicates Z: 6 9.049 2.194 0.262 0.645 0.800 0.600 N 1.596 6 residues pruned to eliminate duplicates Z: 20 27.028 2.085 0.846 0.699 0.947 0.737 CA 1.418 19 residues pruned to eliminate duplicates Z: 17 31.776 2.367 0.585 0.908 0.938 0.875 CB 1.604 17 residues pruned to eliminate duplicates Z: 11 24.581 2.148 1.061 0.577 1.000 0.900 CA 1.631 11 residues pruned to eliminate duplicates Z: 84 70.920 2.412 0.873 0.541 0.952 0.590 CB 1.739 84 residues pruned to eliminate duplicates Z: 20 29.147 2.239 0.444 0.790 0.947 0.737 CB 1.693 20 residues pruned to eliminate duplicates Z: 15 38.582 2.161 1.035 0.942 1.000 0.786 CB 1.627 15 residues pruned to eliminate duplicates Z: 14 33.886 2.412 0.853 0.931 0.923 0.846 CA 1.592 14 residues pruned to eliminate duplicates Z: 14 31.321 2.238 0.822 0.925 1.000 1.000 CA 1.495 14 residues pruned to eliminate duplicates Z: 85 75.181 2.431 1.033 0.534 0.929 0.607 CB 1.729 85 residues pruned to eliminate duplicates Z: 19 37.993 2.186 0.982 0.687 1.000 0.833 CA 1.741 19 residues pruned to eliminate duplicates Z: 11 19.367 2.241 0.432 0.812 1.000 0.700 CB 1.454 11 residues pruned to eliminate duplicates Z: 81 52.170 2.373 0.849 0.441 0.887 0.562 CB 1.592 81 residues pruned to eliminate duplicates Z: 31 50.208 2.396 1.000 0.557 0.967 0.500 CB 1.872 31 residues pruned to eliminate duplicates Z: 17 35.715 2.372 0.700 0.906 0.938 0.812 CB 1.679 17 residues pruned to eliminate duplicates Z: 10 21.346 2.023 0.611 0.860 1.000 0.778 CA 1.605 10 residues pruned to eliminate duplicates Z: 49 36.425 2.154 0.655 0.447 0.958 0.646 CB 1.625 49 residues pruned to eliminate duplicates Z: 16 41.276 2.390 1.033 0.896 0.933 0.867 CB 1.683 16 residues pruned to eliminate duplicates Z: 17 28.570 2.328 0.397 0.906 0.938 0.750 CA 1.666 17 residues pruned to eliminate duplicates Z: 18 36.459 2.250 0.896 0.732 1.000 0.765 CA 1.683 19 residues pruned to eliminate duplicates Z: 6 7.253 2.129 -0.156 0.747 1.000 0.800 N 1.448 Z: 12 23.866 2.223 0.649 0.804 0.909 0.636 CA 1.656 12 residues pruned to eliminate duplicates Z: 16 48.616 2.394 1.266 0.929 0.933 0.667 CB 1.735 16 residues pruned to eliminate duplicates Z: 10 19.037 1.964 0.441 0.875 1.000 0.778 CA 1.630 9 residues pruned to eliminate duplicates Z: 13 21.310 2.301 0.415 0.821 0.917 0.917 CA 1.560 13 residues pruned to eliminate duplicates Z: 12 18.919 2.122 0.466 0.821 1.000 0.727 CB 1.388 12 residues pruned to eliminate duplicates Z: 6 15.071 2.050 0.712 0.806 1.000 0.600 CB 1.471 6 residues pruned to eliminate duplicates Z: 18 35.633 2.293 0.860 0.894 0.941 0.882 CA 1.544 18 residues pruned to eliminate duplicates Z: 9 18.816 2.210 0.442 0.766 1.000 0.875 CA 1.649 9 residues pruned to eliminate duplicates Z: 13 19.962 2.155 0.517 0.781 0.917 0.750 CB 1.500 13 residues pruned to eliminate duplicates Z: 14 9.484 1.847 0.515 0.344 0.769 0.538 O 1.448 14 residues pruned to eliminate duplicates Z: 11 19.234 2.034 0.688 0.892 1.000 0.900 CA 1.273 11 residues pruned to eliminate duplicates Z: 10 23.277 1.990 0.826 0.883 1.000 0.778 CA 1.544 10 residues pruned to eliminate duplicates Z: 58 50.500 2.453 0.772 0.500 0.877 0.614 CB 1.754 58 residues pruned to eliminate duplicates Z: 13 6.800 1.890 -0.103 0.529 0.917 0.500 CB 1.227 Z: 15 25.899 2.111 0.825 0.608 1.000 0.643 CB 1.622 Z: 15 24.071 2.266 0.692 0.552 0.929 0.714 CB 1.717 15 residues pruned to eliminate duplicates Z: 7 10.652 1.961 0.787 0.524 0.833 0.833 CB 1.454 Z: 11 20.611 2.238 0.526 0.731 0.900 0.600 CA 1.723 11 residues pruned to eliminate duplicates Z: 16 17.418 1.835 0.293 0.923 1.000 0.867 CA 1.332 Z: 9 10.746 1.847 0.713 0.525 0.750 0.375 C 1.562 9 residues pruned to eliminate duplicates Z: 14 35.064 2.280 0.870 0.930 1.000 0.692 CB 1.595 14 residues pruned to eliminate duplicates Z: 14 34.527 2.265 0.782 0.944 1.000 0.846 CA 1.643 14 residues pruned to eliminate duplicates Z: 6 11.374 1.777 0.816 0.791 1.000 0.800 CB 1.221 6 residues pruned to eliminate duplicates Z: 29 35.095 2.097 0.832 0.591 0.964 0.571 CB 1.641 29 residues pruned to eliminate duplicates Z: 21 25.486 2.058 0.863 0.613 1.000 0.750 CB 1.335 20 residues pruned to eliminate duplicates Z: 13 18.564 2.112 0.411 0.828 1.000 0.750 CA 1.354 13 residues pruned to eliminate duplicates Z: 13 13.692 2.025 0.163 0.801 1.000 0.583 CB 1.290 13 residues pruned to eliminate duplicates Z: 20 28.714 2.101 0.727 0.643 1.000 0.842 CA 1.588 18 residues pruned to eliminate duplicates Z: 31 23.621 2.114 0.421 0.581 0.967 0.767 CB 1.374 Z: 129 74.945 2.346 0.779 0.517 0.922 0.641 CB 1.693 129 residues pruned to eliminate duplicates Z: 46 44.199 2.322 0.790 0.511 0.911 0.489 CB 1.722 46 residues pruned to eliminate duplicates Z: 27 21.897 2.080 0.604 0.445 0.885 0.615 CB 1.540 27 residues pruned to eliminate duplicates Z: 25 30.668 2.035 0.821 0.633 1.000 0.750 CB 1.491 25 residues pruned to eliminate duplicates Z: 10 16.416 1.948 0.552 0.851 0.889 0.889 CA 1.507 10 residues pruned to eliminate duplicates Z: 29 28.234 2.047 0.633 0.538 0.929 0.500 CB 1.656 29 residues pruned to eliminate duplicates Z: 19 39.289 2.213 0.963 0.891 1.000 0.722 CB 1.532 19 residues pruned to eliminate duplicates Z: 62 61.787 2.420 0.990 0.501 0.951 0.705 CB 1.725 62 residues pruned to eliminate duplicates Z: 15 19.115 2.037 0.548 0.909 0.857 0.500 CB 1.342 15 residues pruned to eliminate duplicates Z: 50 43.330 2.137 0.932 0.459 0.959 0.571 CB 1.629 50 residues pruned to eliminate duplicates Z: 24 17.963 2.067 0.922 0.261 0.870 0.609 CB 1.425 24 residues pruned to eliminate duplicates Z: 15 36.883 2.151 1.062 0.922 1.000 0.786 CB 1.562 15 residues pruned to eliminate duplicates Z: 41 48.313 2.360 0.773 0.591 0.925 0.600 CB 1.808 41 residues pruned to eliminate duplicates Z: 7 5.617 1.576 1.144 0.377 0.833 0.500 N 0.928 7 residues pruned to eliminate duplicates Z: 18 40.466 2.242 1.197 0.911 0.941 0.588 CB 1.500 18 residues pruned to eliminate duplicates Z: 13 6.543 1.960 0.511 0.279 0.750 0.417 CB 1.091 10 residues pruned to eliminate duplicates Z: 28 39.566 2.155 0.861 0.629 1.000 0.630 CB 1.682 29 residues pruned to eliminate duplicates Z: 12 27.227 2.218 0.724 0.761 1.000 0.818 CB 1.702 12 residues pruned to eliminate duplicates Z: 29 45.597 2.449 0.952 0.567 0.964 0.500 CB 1.753 24 residues pruned to eliminate duplicates Z: 9 23.834 2.220 0.781 0.829 1.000 0.750 CA 1.604 9 residues pruned to eliminate duplicates Z: 10 13.578 1.713 0.827 0.518 0.889 0.667 O 1.597 10 residues pruned to eliminate duplicates Z: 12 5.506 1.836 -0.020 0.445 0.727 0.455 CB 1.342 Z: 6 7.267 1.890 -0.131 0.729 1.000 0.800 N 1.609 6 residues pruned to eliminate duplicates Z: 29 50.402 2.483 1.129 0.629 0.893 0.607 CB 1.788 29 residues pruned to eliminate duplicates Z: 14 31.978 2.244 0.947 0.915 1.000 0.615 CB 1.434 14 residues pruned to eliminate duplicates Z: 12 20.570 2.117 0.708 0.739 1.000 0.545 CB 1.384 12 residues pruned to eliminate duplicates Z: 13 17.388 1.933 0.654 0.581 0.917 0.750 CA 1.584 13 residues pruned to eliminate duplicates Z: 31 34.652 2.071 0.912 0.572 0.900 0.633 CB 1.655 30 residues pruned to eliminate duplicates Z: 113 74.228 2.389 0.926 0.498 0.884 0.589 CB 1.728 113 residues pruned to eliminate duplicates Z: 68 55.070 2.365 0.870 0.484 0.925 0.627 CB 1.671 68 residues pruned to eliminate duplicates Z: 16 23.694 1.991 0.754 0.902 0.933 0.867 CA 1.339 16 residues pruned to eliminate duplicates Z: 19 31.190 2.119 0.877 0.664 1.000 0.722 CB 1.587 20 residues pruned to eliminate duplicates Z: 16 17.850 1.789 0.358 0.894 1.000 0.933 CA 1.361 16 residues pruned to eliminate duplicates Z: 29 34.680 2.235 0.747 0.583 0.929 0.607 CB 1.670 29 residues pruned to eliminate duplicates Z: 46 34.320 2.060 0.944 0.494 0.911 0.622 CB 1.411 46 residues pruned to eliminate duplicates Z: 19 14.796 1.936 0.170 0.652 0.944 0.889 CB 1.415 13 residues pruned to eliminate duplicates Z: 28 31.850 2.131 0.926 0.664 0.889 0.519 CB 1.443 19 residues pruned to eliminate duplicates Z: 20 26.638 2.091 0.734 0.617 0.947 0.737 CB 1.593 20 residues pruned to eliminate duplicates Z: 16 21.704 1.969 0.458 0.920 1.000 1.000 CB 1.374 17 residues pruned to eliminate duplicates Z: 11 12.174 2.178 0.383 0.609 0.900 0.800 CB 1.280 11 residues pruned to eliminate duplicates Z: 91 79.679 2.424 1.103 0.553 0.911 0.633 CB 1.718 91 residues pruned to eliminate duplicates Z: 15 36.444 2.176 1.046 0.889 1.000 0.571 CB 1.576 15 residues pruned to eliminate duplicates Z: 12 22.784 2.118 0.685 0.798 1.000 0.727 CB 1.483 12 residues pruned to eliminate duplicates Z: 8 11.125 2.021 0.222 0.847 0.857 0.714 CB 1.474 8 residues pruned to eliminate duplicates Z: 6 13.362 2.048 0.900 0.770 1.000 0.800 CA 1.210 6 residues pruned to eliminate duplicates Z: 16 43.710 2.318 1.263 0.927 0.933 0.800 CB 1.616 16 residues pruned to eliminate duplicates Z: 17 16.493 1.915 0.271 0.854 0.938 0.875 CB 1.335 17 residues pruned to eliminate duplicates Z: 17 26.504 1.898 0.962 0.891 0.938 0.750 CA 1.364 17 residues pruned to eliminate duplicates Z: 16 49.153 2.448 1.226 0.943 0.933 0.333 CB 1.729 16 residues pruned to eliminate duplicates Z: 17 19.655 2.024 0.321 0.896 0.938 0.875 CB 1.404 17 residues pruned to eliminate duplicates Z: 13 8.423 1.854 0.640 0.308 0.917 0.583 CB 1.079 13 residues pruned to eliminate duplicates Z: 16 21.127 1.988 0.612 0.919 1.000 0.800 CB 1.200 16 residues pruned to eliminate duplicates Z: 17 24.429 1.874 1.028 0.911 0.938 0.875 CA 1.215 17 residues pruned to eliminate duplicates Z: 30 33.636 2.082 0.769 0.586 0.966 0.586 CB 1.616 30 residues pruned to eliminate duplicates Z: 16 27.055 1.879 0.794 0.928 1.000 0.800 CA 1.451 22 residues pruned to eliminate duplicates Z: 19 19.836 1.862 0.488 0.883 1.000 0.833 CB 1.220 19 residues pruned to eliminate duplicates Z: 15 22.695 1.902 0.632 0.933 0.929 0.929 CA 1.468 15 residues pruned to eliminate duplicates Z: 25 31.534 2.125 0.772 0.602 0.917 0.667 CB 1.692 26 residues pruned to eliminate duplicates Z: 16 23.464 1.933 0.792 0.892 1.000 0.800 CA 1.256 16 residues pruned to eliminate duplicates Z: 17 21.815 2.154 0.679 0.564 0.938 0.750 CB 1.511 17 residues pruned to eliminate duplicates Z: 7 3.306 1.714 -0.166 0.782 1.000 0.667 CB 0.736 Z: 18 24.341 1.969 0.664 0.921 1.000 0.706 CB 1.268 17 residues pruned to eliminate duplicates Z: 31 48.294 2.340 0.937 0.637 0.933 0.700 CA 1.832 31 residues pruned to eliminate duplicates Z: 9 2.365 1.964 -0.113 0.184 0.625 0.375 CB 1.124 9 residues pruned to eliminate duplicates Z: 17 34.113 1.920 1.129 0.919 1.000 0.562 CA 1.470 17 residues pruned to eliminate duplicates Z: 15 23.760 2.028 0.547 0.908 1.000 0.857 CB 1.437 15 residues pruned to eliminate duplicates Z: 32 24.190 2.248 0.924 0.265 0.806 0.613 CB 1.629 32 residues pruned to eliminate duplicates Z: 15 15.071 2.096 0.517 0.595 0.786 0.357 CB 1.472 12 residues pruned to eliminate duplicates Z: 12 19.848 2.187 0.589 0.712 0.818 0.727 CB 1.737 12 residues pruned to eliminate duplicates Z: 30 29.796 2.276 1.108 0.294 0.931 0.621 CB 1.559 30 residues pruned to eliminate duplicates Z: 19 32.407 2.193 0.774 0.721 1.000 0.833 CA 1.608 19 residues pruned to eliminate duplicates Z: 9 4.704 1.794 -0.080 0.425 0.750 0.500 CB 1.452 9 residues pruned to eliminate duplicates Z: 12 15.877 1.951 0.522 0.896 0.818 0.727 CB 1.411 12 residues pruned to eliminate duplicates Z: 18 21.275 2.040 0.876 0.593 0.882 0.647 CB 1.398 18 residues pruned to eliminate duplicates Z: 18 22.843 1.963 0.793 0.838 0.941 0.765 CB 1.250 17 residues pruned to eliminate duplicates Z: 38 33.824 2.065 0.870 0.529 0.919 0.649 CB 1.523 38 residues pruned to eliminate duplicates Z: 6 3.715 1.830 -0.094 0.615 0.800 0.600 CB 1.123 Z: 17 15.632 1.960 0.099 0.856 1.000 0.875 CB 1.338 17 residues pruned to eliminate duplicates Z: 32 47.774 2.264 1.144 0.590 0.935 0.677 CB 1.733 32 residues pruned to eliminate duplicates Z: 13 25.169 2.066 0.838 0.899 0.917 0.833 CB 1.492 13 residues pruned to eliminate duplicates Z: 10 14.147 1.870 0.506 0.793 0.889 0.889 CA 1.457 10 residues pruned to eliminate duplicates Z: 31 39.586 2.205 0.881 0.564 0.967 0.667 CA 1.695 31 residues pruned to eliminate duplicates Z: 11 14.176 2.100 0.262 0.507 0.900 0.500 O 1.866 11 residues pruned to eliminate duplicates Z: 17 20.563 2.005 0.446 0.894 0.938 0.812 CB 1.356 17 residues pruned to eliminate duplicates Z: 11 28.269 2.238 0.928 0.579 1.000 0.600 CA 1.920 11 residues pruned to eliminate duplicates Z: 14 22.094 2.027 0.530 0.783 1.000 0.462 CB 1.539 14 residues pruned to eliminate duplicates Z: 6 4.562 1.740 0.486 0.752 0.800 0.800 CB 0.788 6 residues pruned to eliminate duplicates Z: 16 22.232 1.884 0.705 0.895 0.933 0.733 CA 1.372 16 residues pruned to eliminate duplicates Z: 35 39.122 2.355 0.695 0.645 0.882 0.588 CB 1.664 35 residues pruned to eliminate duplicates Z: 9 18.746 2.103 0.683 0.865 0.875 0.750 CB 1.568 9 residues pruned to eliminate duplicates Z: 17 22.608 1.982 0.861 0.883 0.875 0.750 CB 1.266 17 residues pruned to eliminate duplicates Z: 12 18.306 2.070 0.451 0.789 1.000 0.636 CB 1.426 12 residues pruned to eliminate duplicates Z: 39 24.379 1.968 0.818 0.599 0.895 0.526 CB 1.124 39 residues pruned to eliminate duplicates Z: 29 33.386 2.065 0.903 0.650 0.964 0.500 CB 1.448 25 residues pruned to eliminate duplicates Z: 26 37.755 2.122 0.900 0.641 1.000 0.840 CB 1.641 26 residues pruned to eliminate duplicates Z: 71 36.429 1.992 0.582 0.563 0.971 0.714 CB 1.338 51 residues pruned to eliminate duplicates Z: 93 69.207 2.371 0.873 0.530 0.902 0.641 CB 1.749 93 residues pruned to eliminate duplicates Z: 18 10.841 1.805 0.730 0.338 0.765 0.529 O 1.313 Z: 8 6.036 1.496 0.592 0.374 0.857 0.429 CB 1.278 8 residues pruned to eliminate duplicates Z: 15 16.756 1.874 0.287 0.915 1.000 0.857 CB 1.312 15 residues pruned to eliminate duplicates Z: 13 6.067 1.817 -0.071 0.523 0.917 0.583 CB 1.107 Z: 16 22.529 2.038 0.448 0.891 1.000 0.933 CB 1.417 16 residues pruned to eliminate duplicates Z: 9 11.947 1.924 0.620 0.738 0.875 0.625 CB 1.251 Z: 21 28.890 2.087 0.740 0.615 1.000 0.700 CB 1.595 21 residues pruned to eliminate duplicates Z: 26 32.100 2.168 0.794 0.606 0.920 0.600 CA 1.622 26 residues pruned to eliminate duplicates Z: 62 34.172 2.054 0.679 0.399 0.951 0.541 CB 1.484 62 residues pruned to eliminate duplicates Z: 6 7.525 1.914 -0.005 0.689 1.000 0.600 O 1.486 Z: 11 14.295 1.836 0.742 0.710 1.000 1.000 CA 1.168 Z: 8 10.485 1.719 0.604 0.647 1.000 0.857 CA 1.253 8 residues pruned to eliminate duplicates Z: 46 57.040 2.507 0.981 0.544 0.933 0.622 CA 1.757 46 residues pruned to eliminate duplicates Z: 16 24.690 2.001 0.891 0.856 1.000 0.800 CB 1.242 16 residues pruned to eliminate duplicates Z: 25 26.450 2.143 0.843 0.635 0.917 0.542 CB 1.313 25 residues pruned to eliminate duplicates Z: 44 25.433 1.920 0.702 0.496 0.860 0.651 CB 1.385 40 residues pruned to eliminate duplicates Z: 30 28.227 2.017 0.757 0.599 0.931 0.690 CB 1.446 30 residues pruned to eliminate duplicates Z: 6 10.104 1.711 0.569 0.823 1.000 1.000 CB 1.272 6 residues pruned to eliminate duplicates Z: 17 23.278 2.190 0.654 0.557 1.000 0.688 CB 1.521 14 residues pruned to eliminate duplicates Z: 39 39.540 2.255 0.780 0.554 0.868 0.579 CB 1.745 39 residues pruned to eliminate duplicates Z: 32 24.307 2.298 0.853 0.375 0.806 0.548 CB 1.453 32 residues pruned to eliminate duplicates Z: 18 18.720 1.949 0.653 0.878 0.941 0.824 CB 1.087 18 residues pruned to eliminate duplicates Z: 27 16.965 1.892 0.749 0.508 0.769 0.462 CA 1.296 38 residues pruned to eliminate duplicates Z: 22 20.215 2.049 0.797 0.476 0.905 0.619 CB 1.356 22 residues pruned to eliminate duplicates Z: 11 18.138 2.173 0.595 0.824 1.000 0.800 CB 1.249 11 residues pruned to eliminate duplicates Z: 7 5.026 1.697 0.494 0.328 0.833 0.667 N 1.173 7 residues pruned to eliminate duplicates Z: 16 19.957 1.846 0.895 0.839 0.867 0.733 CB 1.268 16 residues pruned to eliminate duplicates Z: 24 15.078 2.015 0.834 0.279 0.913 0.522 CB 1.196 24 residues pruned to eliminate duplicates Z: 21 24.608 2.014 0.732 0.633 0.950 0.650 CA 1.465 20 residues pruned to eliminate duplicates Z: 29 31.665 2.073 0.817 0.625 0.929 0.536 CB 1.521 29 residues pruned to eliminate duplicates Z: 8 16.698 1.930 0.535 0.850 1.000 0.714 CA 1.578 8 residues pruned to eliminate duplicates Z: 6 12.097 1.929 0.646 0.853 1.000 1.000 CA 1.259 6 residues pruned to eliminate duplicates Z: 15 24.483 1.852 0.852 0.924 0.929 0.786 CB 1.443 15 residues pruned to eliminate duplicates Z: 6 2.419 1.501 0.288 0.446 0.800 0.400 CB 0.740 Z: 17 26.449 1.807 0.880 0.880 1.000 0.625 CA 1.410 17 residues pruned to eliminate duplicates Z: 104 42.304 2.017 0.667 0.514 0.913 0.602 CB 1.340 102 residues pruned to eliminate duplicates Z: 16 32.256 1.982 1.072 0.898 1.000 0.667 CA 1.450 16 residues pruned to eliminate duplicates Z: 11 18.464 2.229 0.962 0.329 1.000 0.800 CA 1.611 11 residues pruned to eliminate duplicates Z: 53 44.008 2.164 0.859 0.540 0.904 0.596 CB 1.614 100 residues pruned to eliminate duplicates 6 0.893 1.712 0.277 0.144 0.600 0.200 CB 0.473 ? Z: 16 18.795 1.796 0.821 0.844 0.867 0.533 CB 1.273 16 residues pruned to eliminate duplicates Z: 14 11.947 1.914 0.428 0.578 0.769 0.538 CA 1.461 14 residues pruned to eliminate duplicates Z: 10 17.654 1.974 0.632 0.833 0.889 0.667 CB 1.541 10 residues pruned to eliminate duplicates Z: 26 35.008 2.304 0.784 0.609 0.880 0.640 CB 1.745 26 residues pruned to eliminate duplicates Z: 23 21.852 1.974 0.705 0.552 0.955 0.727 CB 1.379 Z: 28 27.073 2.063 0.564 0.585 1.000 0.630 CA 1.488 28 residues pruned to eliminate duplicates Z: 14 10.595 1.860 0.296 0.426 0.923 0.692 CB 1.426 14 residues pruned to eliminate duplicates Z: 28 42.082 2.220 0.894 0.633 1.000 0.741 CB 1.701 Z: 8 7.514 1.783 0.727 0.555 0.857 0.571 CB 1.021 8 residues pruned to eliminate duplicates Z: 15 16.010 1.793 0.511 0.681 1.000 0.786 CB 1.336 15 residues pruned to eliminate duplicates Z: 13 23.748 2.134 0.660 0.805 0.917 0.667 CA 1.617 13 residues pruned to eliminate duplicates Z: 6 11.096 1.935 0.676 0.628 1.000 1.000 O 1.357 6 residues pruned to eliminate duplicates Z: 32 42.805 2.306 0.789 0.602 0.968 0.613 CB 1.747 32 residues pruned to eliminate duplicates Z: 6 5.147 1.739 0.563 0.324 0.800 0.600 CB 1.284 Z: 16 23.938 1.938 0.791 0.919 0.933 0.667 CA 1.344 16 residues pruned to eliminate duplicates Z: 34 28.226 2.025 0.691 0.553 0.970 0.606 CB 1.405 34 residues pruned to eliminate duplicates Z: 10 22.252 2.030 0.743 0.851 1.000 0.778 CB 1.551 14 residues pruned to eliminate duplicates Z: 43 54.603 2.463 0.914 0.606 0.929 0.667 CB 1.740 43 residues pruned to eliminate duplicates Z: 22 33.834 2.258 1.019 0.523 0.952 0.571 CB 1.662 22 residues pruned to eliminate duplicates Z: 38 45.955 2.332 0.954 0.596 0.919 0.757 CB 1.646 43 residues pruned to eliminate duplicates Z: 22 20.144 1.946 0.524 0.675 0.952 0.810 CB 1.325 24 residues pruned to eliminate duplicates Z: 6 4.189 1.603 0.314 0.732 0.800 0.800 CA 0.902 6 residues pruned to eliminate duplicates Z: 51 45.685 2.317 0.840 0.479 0.920 0.660 CB 1.683 51 residues pruned to eliminate duplicates Z: 12 16.375 2.053 0.711 0.740 0.818 0.727 CB 1.386 12 residues pruned to eliminate duplicates Z: 51 24.987 2.036 0.560 0.506 0.880 0.620 CB 1.257 51 residues pruned to eliminate duplicates Z: 29 46.078 2.442 0.885 0.605 0.964 0.750 CB 1.776 29 residues pruned to eliminate duplicates Z: 17 28.779 1.909 1.104 0.910 0.938 0.750 CA 1.355 17 residues pruned to eliminate duplicates Z: 108 73.621 2.375 0.920 0.497 0.888 0.607 CB 1.763 108 residues pruned to eliminate duplicates Z: 7 5.886 1.768 0.350 0.356 0.833 0.333 CA 1.411 7 residues pruned to eliminate duplicates Z: 18 9.763 1.767 0.468 0.405 0.824 0.588 CB 1.224 10 residues pruned to eliminate duplicates Z: 16 15.847 1.894 0.894 0.496 0.800 0.733 CB 1.432 16 residues pruned to eliminate duplicates Z: 12 18.897 1.898 0.433 0.920 1.000 0.909 CA 1.476 12 residues pruned to eliminate duplicates Z: 54 47.510 2.280 0.940 0.428 0.943 0.679 CB 1.686 54 residues pruned to eliminate duplicates Z: 23 21.280 1.987 0.702 0.569 0.955 0.727 CB 1.314 22 residues pruned to eliminate duplicates Z: 14 26.043 2.010 0.775 0.741 1.000 0.692 CB 1.631 14 residues pruned to eliminate duplicates Z: 27 27.587 2.067 0.558 0.612 1.000 0.654 CB 1.511 27 residues pruned to eliminate duplicates Z: 20 35.497 2.155 0.878 0.739 1.000 0.842 CA 1.623 21 residues pruned to eliminate duplicates Z: 9 24.973 2.161 0.884 0.896 1.000 0.625 CB 1.552 9 residues pruned to eliminate duplicates Z: 17 29.727 1.893 1.002 0.917 1.000 0.750 CA 1.384 17 residues pruned to eliminate duplicates Z: 8 16.716 1.993 0.724 0.725 1.000 1.000 CB 1.500 8 residues pruned to eliminate duplicates Z: 23 15.001 2.005 0.528 0.437 0.864 0.500 CB 1.290 23 residues pruned to eliminate duplicates Z: 25 19.092 1.936 0.732 0.601 0.917 0.792 CB 1.151 25 residues pruned to eliminate duplicates Z: 13 10.253 1.638 0.465 0.496 1.000 0.833 CB 1.239 25 residues pruned to eliminate duplicates Z: 6 4.200 1.609 0.436 0.602 0.800 0.600 CB 0.922 Z: 25 30.394 2.120 0.835 0.628 0.875 0.542 CB 1.616 25 residues pruned to eliminate duplicates Z: 14 16.763 1.963 0.434 0.815 1.000 0.769 CA 1.256 14 residues pruned to eliminate duplicates Z: 15 19.962 2.072 0.774 0.592 1.000 0.714 CB 1.329 15 residues pruned to eliminate duplicates Z: 18 9.671 1.664 0.725 0.473 0.824 0.412 CB 1.020 26 residues pruned to eliminate duplicates Z: 73 58.121 2.332 0.929 0.469 0.958 0.639 CB 1.639 73 residues pruned to eliminate duplicates Z: 18 33.761 2.485 1.143 0.484 0.882 0.529 CB 1.772 18 residues pruned to eliminate duplicates Z: 59 41.579 2.050 0.823 0.566 0.983 0.655 CB 1.394 77 residues pruned to eliminate duplicates Z: 16 16.388 1.991 0.515 0.900 0.867 0.467 CB 1.156 16 residues pruned to eliminate duplicates Z: 19 31.694 2.185 0.768 0.673 1.000 0.722 CB 1.649 19 residues pruned to eliminate duplicates Z: 19 10.674 1.900 0.540 0.364 0.833 0.389 CB 1.195 19 residues pruned to eliminate duplicates Z: 8 6.230 1.448 0.877 0.797 0.857 0.857 CA 0.779 8 residues pruned to eliminate duplicates Z: 93 62.585 2.261 0.941 0.505 0.935 0.587 CB 1.583 93 residues pruned to eliminate duplicates Z: 17 10.851 1.975 0.683 0.279 0.875 0.625 CB 1.197 17 residues pruned to eliminate duplicates Z: 20 19.879 1.908 0.563 0.624 0.947 0.842 CA 1.437 20 residues pruned to eliminate duplicates Z: 14 4.952 1.520 0.470 0.212 0.769 0.615 O 1.122 Z: 10 4.272 1.775 0.511 0.103 0.778 0.556 CB 1.132 10 residues pruned to eliminate duplicates Z: 16 16.746 1.992 0.593 0.896 0.867 0.667 CB 1.126 16 residues pruned to eliminate duplicates Z: 13 16.603 2.026 0.752 0.600 0.917 0.750 CB 1.339 13 residues pruned to eliminate duplicates Z: 28 31.205 2.100 0.674 0.612 0.963 0.630 CB 1.595 28 residues pruned to eliminate duplicates Z: 9 7.392 1.666 0.335 0.554 0.875 0.625 CB 1.275 7 residues pruned to eliminate duplicates Z: 99 70.368 2.436 0.836 0.527 0.898 0.653 CB 1.724 99 residues pruned to eliminate duplicates Z: 8 16.577 2.441 0.461 0.843 1.000 0.714 CA 1.309 8 residues pruned to eliminate duplicates Z: 51 53.110 2.296 0.888 0.570 0.940 0.440 CB 1.723 51 residues pruned to eliminate duplicates Z: 11 16.608 1.898 0.821 0.892 0.800 0.700 CA 1.365 11 residues pruned to eliminate duplicates Z: 12 14.817 1.882 0.361 0.856 1.000 0.636 CB 1.287 12 residues pruned to eliminate duplicates Z: 20 32.976 2.123 0.919 0.623 0.947 0.737 CB 1.745 20 residues pruned to eliminate duplicates Z: 11 5.912 1.789 0.201 0.508 0.700 0.500 CB 1.234 Z: 28 41.606 2.168 0.845 0.638 1.000 0.741 CB 1.759 28 residues pruned to eliminate duplicates Z: 51 46.007 2.285 0.774 0.509 0.920 0.560 CB 1.729 51 residues pruned to eliminate duplicates Z: 7 2.576 1.641 0.012 0.251 0.667 0.333 CB 1.265 Z: 47 23.850 2.012 0.467 0.472 0.935 0.609 CB 1.312 47 residues pruned to eliminate duplicates Z: 50 26.292 2.030 0.552 0.514 0.898 0.612 CB 1.309 50 residues pruned to eliminate duplicates Z: 16 32.469 2.035 1.240 0.924 0.867 0.733 CB 1.490 16 residues pruned to eliminate duplicates Z: 7 8.115 1.773 0.908 0.503 0.667 0.667 CB 1.465 Z: 21 14.342 1.903 0.734 0.506 0.850 0.600 CA 1.137 21 residues pruned to eliminate duplicates Z: 45 30.503 1.993 0.718 0.519 0.932 0.614 CB 1.414 45 residues pruned to eliminate duplicates Z: 18 14.805 1.902 0.489 0.413 0.882 0.353 CB 1.575 14 residues pruned to eliminate duplicates Z: 14 20.337 1.910 0.609 0.918 0.923 0.846 CB 1.402 14 residues pruned to eliminate duplicates Z: 6 3.840 1.331 0.537 0.610 1.000 0.400 CB 0.756 Z: 8 16.519 2.178 0.615 0.642 0.857 0.714 CA 1.814 8 residues pruned to eliminate duplicates Z: 21 21.493 1.894 0.688 0.658 0.950 0.750 CA 1.366 21 residues pruned to eliminate duplicates Z: 16 14.504 1.814 0.356 0.862 0.800 0.533 CB 1.397 16 residues pruned to eliminate duplicates Z: 39 50.914 2.357 0.931 0.591 0.947 0.658 CB 1.756 39 residues pruned to eliminate duplicates 7 1.402 1.685 0.214 0.313 0.833 0.500 CB 0.413 ? Z: 17 22.868 1.983 0.436 0.916 1.000 0.750 CA 1.418 17 residues pruned to eliminate duplicates Z: 38 23.375 1.970 0.705 0.441 0.919 0.595 CB 1.323 33 residues pruned to eliminate duplicates Z: 49 23.802 1.949 0.655 0.436 0.875 0.604 CB 1.300 49 residues pruned to eliminate duplicates Z: 60 51.000 2.402 0.875 0.541 0.881 0.610 CB 1.607 60 residues pruned to eliminate duplicates Z: 14 9.434 1.694 0.519 0.369 0.846 0.538 CB 1.383 Z: 32 18.977 1.965 0.642 0.455 0.903 0.484 CB 1.225 32 residues pruned to eliminate duplicates Z: 24 16.197 1.956 0.663 0.495 0.913 0.565 CB 1.143 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 20.160 2.116 0.433 0.685 1.000 0.583 CA 1.620 13 residues pruned to eliminate duplicates Z: 16 13.818 2.019 0.346 0.474 0.933 0.533 CB 1.444 16 residues pruned to eliminate duplicates Z: 15 12.891 2.023 0.504 0.554 0.786 0.357 CB 1.367 15 residues pruned to eliminate duplicates Z: 14 18.759 2.000 0.655 0.620 0.923 0.462 CB 1.520 14 residues pruned to eliminate duplicates Z: 17 14.648 1.969 0.582 0.442 0.875 0.375 CB 1.426 17 residues pruned to eliminate duplicates Z: 24 17.654 1.998 0.798 0.431 0.739 0.391 CB 1.489 13 residues pruned to eliminate duplicates Z: 9 24.046 2.199 0.731 0.882 1.000 0.750 CA 1.616 9 residues pruned to eliminate duplicates Z: 13 17.022 2.114 0.423 0.593 0.917 0.417 CB 1.631 13 residues pruned to eliminate duplicates Z: 12 19.475 2.190 0.481 0.668 0.909 0.545 CB 1.705 12 residues pruned to eliminate duplicates Z: 15 19.764 1.886 0.629 0.633 1.000 0.500 CB 1.518 15 residues pruned to eliminate duplicates Z: 30 43.765 2.447 0.994 0.592 0.862 0.621 CB 1.769 30 residues pruned to eliminate duplicates Z: 30 39.440 2.375 0.735 0.597 0.931 0.655 CA 1.741 30 residues pruned to eliminate duplicates Z: 30 50.476 2.450 1.084 0.587 0.966 0.655 CB 1.748 30 residues pruned to eliminate duplicates Z: 30 45.695 2.396 0.898 0.597 1.000 0.724 CA 1.701 30 residues pruned to eliminate duplicates Z: 29 47.103 2.449 0.871 0.608 1.000 0.714 CB 1.754 29 residues pruned to eliminate duplicates Z: 31 47.699 2.353 0.962 0.596 1.000 0.667 CB 1.721 31 residues pruned to eliminate duplicates Z: 30 39.306 2.411 0.772 0.583 0.897 0.690 CA 1.760 30 residues pruned to eliminate duplicates Z: 29 40.226 2.417 0.780 0.577 0.929 0.607 CB 1.767 29 residues pruned to eliminate duplicates Z: 29 49.753 2.464 1.053 0.625 0.929 0.536 CB 1.780 29 residues pruned to eliminate duplicates Z: 30 43.214 2.414 0.956 0.584 0.931 0.586 CB 1.684 30 residues pruned to eliminate duplicates Z: 28 41.673 2.402 0.912 0.570 0.926 0.519 CB 1.762 28 residues pruned to eliminate duplicates Z: 30 42.529 2.426 0.957 0.584 0.862 0.483 CB 1.780 30 residues pruned to eliminate duplicates Z: 29 56.191 2.481 1.136 0.595 1.000 0.607 CB 1.831 29 residues pruned to eliminate duplicates Z: 30 43.763 2.401 1.081 0.563 0.897 0.552 CB 1.707 30 residues pruned to eliminate duplicates Z: 31 48.065 2.368 1.037 0.564 1.000 0.433 CB 1.710 31 residues pruned to eliminate duplicates Z: 29 52.637 2.488 1.142 0.592 1.000 0.536 CB 1.709 29 residues pruned to eliminate duplicates Z: 31 44.188 2.404 1.001 0.540 0.933 0.367 CB 1.728 31 residues pruned to eliminate duplicates Z: 29 49.574 2.453 1.108 0.642 0.929 0.429 CB 1.707 29 residues pruned to eliminate duplicates Z: 29 57.242 2.493 1.230 0.633 0.964 0.464 CB 1.781 29 residues pruned to eliminate duplicates Z: 29 49.799 2.507 1.156 0.631 0.857 0.464 CB 1.796 29 residues pruned to eliminate duplicates Z: 30 45.930 2.409 1.015 0.573 0.931 0.414 CB 1.758 30 residues pruned to eliminate duplicates Z: 30 44.408 2.437 1.077 0.576 0.862 0.517 CB 1.756 30 residues pruned to eliminate duplicates Z: 29 50.954 2.464 1.116 0.597 0.929 0.607 CB 1.813 29 residues pruned to eliminate duplicates Z: 29 47.779 2.490 1.080 0.624 0.893 0.536 CB 1.737 29 residues pruned to eliminate duplicates Z: 29 53.803 2.408 1.136 0.617 1.000 0.464 CB 1.770 29 residues pruned to eliminate duplicates Z: 30 46.915 2.385 1.021 0.625 0.966 0.448 CB 1.663 30 residues pruned to eliminate duplicates Z: 76 61.158 2.282 0.898 0.496 0.973 0.627 CB 1.682 76 residues pruned to eliminate duplicates Z: 41 46.634 2.328 0.913 0.574 0.900 0.500 CB 1.713 41 residues pruned to eliminate duplicates Z: 76 49.566 2.251 0.760 0.497 0.893 0.547 CB 1.623 76 residues pruned to eliminate duplicates Z: 79 57.800 2.298 0.914 0.497 0.885 0.590 CB 1.686 79 residues pruned to eliminate duplicates Z: 51 38.303 2.178 0.703 0.489 0.960 0.760 CB 1.538 51 residues pruned to eliminate duplicates Z: 29 26.800 2.085 0.576 0.592 0.964 0.714 CB 1.463 29 residues pruned to eliminate duplicates Z: 22 19.630 1.800 0.766 0.571 0.952 0.714 CA 1.321 22 residues pruned to eliminate duplicates Z: 141 82.528 2.325 0.898 0.519 0.950 0.657 CB 1.633 141 residues pruned to eliminate duplicates Z: 22 26.991 2.023 0.685 0.760 0.952 0.857 CA 1.441 22 residues pruned to eliminate duplicates Z: 48 29.031 1.949 0.801 0.459 0.894 0.638 CB 1.408 48 residues pruned to eliminate duplicates Z: 32 29.165 2.036 0.660 0.653 0.903 0.677 CA 1.488 32 residues pruned to eliminate duplicates Z: 23 24.991 2.049 0.715 0.714 0.955 0.773 CA 1.309 23 residues pruned to eliminate duplicates Z: 27 25.952 1.969 0.730 0.638 1.000 0.808 CA 1.314 27 residues pruned to eliminate duplicates Z: 148 83.245 2.308 0.915 0.517 0.918 0.639 CB 1.663 148 residues pruned to eliminate duplicates Z: 23 23.683 2.022 0.723 0.696 0.955 0.864 CA 1.270 23 residues pruned to eliminate duplicates Z: 24 27.348 1.986 0.853 0.690 0.957 0.696 CA 1.362 24 residues pruned to eliminate duplicates Z: 33 25.244 1.967 0.760 0.542 0.875 0.531 CB 1.414 33 residues pruned to eliminate duplicates Z: 65 40.939 2.119 0.913 0.457 0.875 0.578 CB 1.507 65 residues pruned to eliminate duplicates Z: 50 45.761 2.182 1.140 0.499 0.918 0.694 CB 1.527 50 residues pruned to eliminate duplicates Z: 29 25.694 1.941 0.836 0.609 0.893 0.714 CB 1.376 29 residues pruned to eliminate duplicates Z: 136 81.141 2.340 0.922 0.500 0.941 0.615 CB 1.651 136 residues pruned to eliminate duplicates Z: 148 76.323 2.291 0.886 0.481 0.898 0.592 CB 1.655 148 residues pruned to eliminate duplicates Z: 159 97.500 2.361 0.996 0.532 0.943 0.601 CB 1.691 172 residues pruned to eliminate duplicates Z: 7 7.026 1.683 0.792 0.378 1.000 0.500 CA 1.083 7 residues pruned to eliminate duplicates Z: 54 38.072 2.159 0.804 0.424 0.962 0.509 CB 1.510 54 residues pruned to eliminate duplicates Z: 103 68.188 2.308 1.013 0.476 0.941 0.559 CB 1.582 103 residues pruned to eliminate duplicates Z: 53 40.943 2.163 0.959 0.468 0.904 0.615 CB 1.531 53 residues pruned to eliminate duplicates Z: 53 43.485 2.166 1.045 0.458 0.962 0.596 CB 1.477 53 residues pruned to eliminate duplicates Z: 31 26.944 2.274 1.133 0.257 0.867 0.500 CB 1.547 31 residues pruned to eliminate duplicates Z: 55 40.787 2.195 0.883 0.424 0.944 0.593 CB 1.538 55 residues pruned to eliminate duplicates Z: 65 49.869 2.402 0.885 0.436 0.891 0.688 CB 1.652 65 residues pruned to eliminate duplicates Z: 77 53.587 2.244 0.843 0.503 0.934 0.553 CB 1.586 77 residues pruned to eliminate duplicates Z: 114 72.125 2.402 0.899 0.485 0.903 0.628 CB 1.672 114 residues pruned to eliminate duplicates Z: 30 24.094 2.268 0.939 0.247 0.862 0.621 CB 1.580 30 residues pruned to eliminate duplicates Z: 106 65.046 2.300 0.844 0.493 0.933 0.629 CB 1.615 106 residues pruned to eliminate duplicates Z: 134 78.847 2.335 0.910 0.500 0.910 0.594 CB 1.686 134 residues pruned to eliminate duplicates Z: 28 27.024 2.252 1.033 0.258 0.889 0.556 CB 1.687 28 residues pruned to eliminate duplicates Z: 28 23.345 2.212 0.787 0.238 0.963 0.519 CB 1.598 28 residues pruned to eliminate duplicates Z: 54 45.343 2.201 1.014 0.441 0.925 0.528 CB 1.614 54 residues pruned to eliminate duplicates Z: 115 75.070 2.376 0.942 0.488 0.904 0.640 CB 1.708 115 residues pruned to eliminate duplicates Z: 30 24.425 2.202 0.990 0.229 0.966 0.586 CB 1.470 30 residues pruned to eliminate duplicates Z: 30 23.151 2.235 0.930 0.245 0.862 0.690 CB 1.551 30 residues pruned to eliminate duplicates Z: 116 68.809 2.384 0.849 0.462 0.904 0.591 CB 1.673 114 residues pruned to eliminate duplicates Z: 29 31.435 2.320 1.041 0.275 1.000 0.679 CB 1.618 29 residues pruned to eliminate duplicates Z: 21 15.809 2.214 0.950 0.205 0.850 0.600 CB 1.366 21 residues pruned to eliminate duplicates Z: 31 21.856 2.214 0.854 0.243 0.900 0.567 CB 1.455 31 residues pruned to eliminate duplicates Z: 8 14.296 2.381 1.065 0.309 0.857 0.429 CB 1.585 8 residues pruned to eliminate duplicates Z: 32 32.153 2.289 1.104 0.267 0.935 0.613 CB 1.670 32 residues pruned to eliminate duplicates Z: 84 72.240 2.426 1.041 0.541 0.916 0.542 CB 1.680 84 residues pruned to eliminate duplicates Z: 89 71.934 2.451 0.892 0.552 0.898 0.580 CB 1.752 92 residues pruned to eliminate duplicates Z: 8 6.462 1.952 0.601 0.406 0.857 0.286 CA 1.006 8 residues pruned to eliminate duplicates Z: 112 75.242 2.419 0.971 0.483 0.874 0.640 CB 1.744 112 residues pruned to eliminate duplicates Z: 84 53.004 2.340 0.802 0.463 0.855 0.578 CB 1.675 84 residues pruned to eliminate duplicates Z: 75 52.748 2.378 0.870 0.440 0.892 0.595 CB 1.645 75 residues pruned to eliminate duplicates Z: 54 49.543 2.465 0.857 0.516 0.887 0.585 CB 1.650 54 residues pruned to eliminate duplicates Z: 91 75.992 2.411 0.944 0.553 0.922 0.600 CB 1.760 91 residues pruned to eliminate duplicates Z: 87 75.749 2.459 0.952 0.535 0.930 0.558 CB 1.768 87 residues pruned to eliminate duplicates Z: 41 51.603 2.485 1.025 0.632 0.850 0.475 CB 1.686 41 residues pruned to eliminate duplicates Z: 91 72.958 2.410 0.896 0.554 0.922 0.644 CB 1.731 91 residues pruned to eliminate duplicates Z: 89 76.995 2.456 0.979 0.542 0.920 0.591 CB 1.760 88 residues pruned to eliminate duplicates Z: 17 37.631 2.308 0.883 0.900 0.938 0.438 CB 1.648 17 residues pruned to eliminate duplicates Z: 24 49.762 2.528 0.961 0.725 0.957 0.522 CB 1.786 24 residues pruned to eliminate duplicates Z: 51 59.499 2.475 1.087 0.542 0.900 0.620 CB 1.736 51 residues pruned to eliminate duplicates Z: 55 45.356 2.444 0.808 0.518 0.833 0.593 CB 1.647 55 residues pruned to eliminate duplicates Z: 91 72.949 2.411 0.962 0.534 0.889 0.600 CB 1.769 91 residues pruned to eliminate duplicates Z: 84 74.284 2.451 0.916 0.572 0.928 0.627 CB 1.745 84 residues pruned to eliminate duplicates Z: 80 56.342 2.391 0.856 0.451 0.911 0.684 CB 1.648 80 residues pruned to eliminate duplicates Z: 158 81.350 2.307 0.851 0.513 0.892 0.611 CB 1.683 145 residues pruned to eliminate duplicates Z: 49 57.546 2.459 1.049 0.565 0.875 0.562 CB 1.769 49 residues pruned to eliminate duplicates Z: 87 71.182 2.437 0.948 0.527 0.907 0.547 CB 1.737 87 residues pruned to eliminate duplicates Z: 53 52.509 2.436 1.023 0.528 0.846 0.558 CB 1.698 53 residues pruned to eliminate duplicates Z: 102 77.814 2.410 0.902 0.550 0.911 0.584 CB 1.766 102 residues pruned to eliminate duplicates Z: 33 31.914 2.456 0.903 0.419 0.844 0.688 CB 1.557 33 residues pruned to eliminate duplicates Z: 86 74.701 2.420 0.914 0.547 0.965 0.588 CB 1.733 86 residues pruned to eliminate duplicates Z: 89 75.991 2.460 0.972 0.527 0.909 0.636 CB 1.789 89 residues pruned to eliminate duplicates Z: 90 72.342 2.437 0.934 0.536 0.933 0.472 CB 1.685 90 residues pruned to eliminate duplicates Z: 90 73.625 2.426 1.047 0.523 0.910 0.551 CB 1.687 90 residues pruned to eliminate duplicates Z: 46 56.614 2.496 1.101 0.580 0.889 0.511 CB 1.676 46 residues pruned to eliminate duplicates Z: 91 76.866 2.426 0.972 0.540 0.922 0.589 CB 1.766 91 residues pruned to eliminate duplicates Z: 62 55.375 2.420 0.875 0.488 0.918 0.607 CB 1.723 62 residues pruned to eliminate duplicates Z: 36 27.101 2.279 0.901 0.329 0.800 0.514 CB 1.594 36 residues pruned to eliminate duplicates Z: 111 85.824 2.423 1.123 0.493 0.900 0.618 CB 1.780 111 residues pruned to eliminate duplicates Z: 62 58.782 2.434 0.950 0.494 0.918 0.656 CB 1.737 62 residues pruned to eliminate duplicates Z: 46 55.848 2.455 1.064 0.534 0.933 0.644 CA 1.703 46 residues pruned to eliminate duplicates Z: 92 73.622 2.402 0.969 0.540 0.923 0.626 CB 1.700 92 residues pruned to eliminate duplicates Z: 60 61.116 2.447 1.027 0.485 0.881 0.678 CB 1.848 60 residues pruned to eliminate duplicates Z: 85 64.371 2.411 0.792 0.527 0.917 0.631 CB 1.727 85 residues pruned to eliminate duplicates Z: 70 55.450 2.362 0.972 0.437 0.855 0.609 CB 1.788 70 residues pruned to eliminate duplicates Z: 92 75.406 2.419 0.990 0.507 0.934 0.549 CB 1.746 92 residues pruned to eliminate duplicates Z: 64 61.053 2.409 1.044 0.491 0.937 0.635 CB 1.683 64 residues pruned to eliminate duplicates Z: 65 59.678 2.476 1.024 0.495 0.875 0.562 CB 1.710 65 residues pruned to eliminate duplicates Z: 86 75.749 2.453 0.963 0.537 0.941 0.565 CB 1.749 86 residues pruned to eliminate duplicates Z: 130 78.915 2.361 0.866 0.480 0.930 0.581 CB 1.730 130 residues pruned to eliminate duplicates Z: 91 65.840 2.385 0.867 0.509 0.911 0.511 CB 1.696 91 residues pruned to eliminate duplicates Z: 61 61.752 2.468 0.982 0.481 0.933 0.600 CB 1.780 61 residues pruned to eliminate duplicates Z: 61 54.567 2.433 0.977 0.485 0.900 0.583 CB 1.651 61 residues pruned to eliminate duplicates Z: 63 58.269 2.393 1.038 0.448 0.919 0.581 CB 1.741 63 residues pruned to eliminate duplicates Z: 56 47.339 2.211 1.006 0.466 0.927 0.673 CB 1.606 56 residues pruned to eliminate duplicates Z: 124 71.314 2.281 0.977 0.493 0.878 0.561 CB 1.635 124 residues pruned to eliminate duplicates Z: 75 66.495 2.390 0.924 0.500 0.946 0.622 CB 1.777 75 residues pruned to eliminate duplicates Z: 91 74.747 2.384 1.055 0.517 0.911 0.511 CB 1.736 91 residues pruned to eliminate duplicates Z: 112 74.386 2.388 0.975 0.457 0.919 0.586 CB 1.703 112 residues pruned to eliminate duplicates Z: 63 67.189 2.441 1.068 0.492 0.968 0.661 CB 1.761 63 residues pruned to eliminate duplicates Z: 35 44.014 2.249 0.947 0.505 0.971 0.647 CB 1.767 35 residues pruned to eliminate duplicates Z: 31 43.184 2.287 1.000 0.598 0.900 0.600 CA 1.745 31 residues pruned to eliminate duplicates Z: 31 53.904 2.371 1.133 0.597 0.967 0.667 CB 1.835 31 residues pruned to eliminate duplicates Z: 91 70.343 2.409 0.951 0.500 0.911 0.600 CB 1.732 91 residues pruned to eliminate duplicates Z: 33 47.036 2.284 1.051 0.531 0.938 0.562 CA 1.835 33 residues pruned to eliminate duplicates Z: 31 53.961 2.343 1.153 0.575 1.000 0.633 CA 1.816 31 residues pruned to eliminate duplicates Z: 62 59.111 2.418 0.962 0.459 0.918 0.656 CB 1.812 62 residues pruned to eliminate duplicates Z: 87 75.294 2.420 1.008 0.547 0.953 0.593 CB 1.673 87 residues pruned to eliminate duplicates Z: 87 77.298 2.461 1.026 0.537 0.930 0.570 CB 1.733 87 residues pruned to eliminate duplicates Z: 32 45.565 2.339 0.870 0.587 0.935 0.645 CA 1.840 32 residues pruned to eliminate duplicates Z: 63 55.691 2.428 0.932 0.469 0.903 0.629 CB 1.723 63 residues pruned to eliminate duplicates Z: 45 58.209 2.342 1.016 0.535 0.977 0.614 CB 1.838 45 residues pruned to eliminate duplicates Z: 34 43.710 2.283 0.999 0.516 0.879 0.636 CA 1.869 34 residues pruned to eliminate duplicates Z: 92 77.302 2.415 1.052 0.523 0.923 0.582 CB 1.732 92 residues pruned to eliminate duplicates Z: 31 52.266 2.402 0.918 0.608 0.967 0.700 CA 1.935 31 residues pruned to eliminate duplicates Z: 32 51.715 2.358 1.081 0.572 0.968 0.548 CB 1.825 32 residues pruned to eliminate duplicates Z: 32 48.119 2.357 1.019 0.526 0.968 0.581 CA 1.829 32 residues pruned to eliminate duplicates Z: 61 66.287 2.464 1.037 0.500 0.933 0.633 CB 1.828 61 residues pruned to eliminate duplicates Z: 32 48.109 2.298 1.091 0.588 0.935 0.774 CA 1.767 32 residues pruned to eliminate duplicates Z: 89 74.430 2.412 1.056 0.530 0.909 0.625 CB 1.709 89 residues pruned to eliminate duplicates Z: 90 75.353 2.422 0.988 0.539 0.910 0.573 CB 1.754 90 residues pruned to eliminate duplicates Z: 91 72.620 2.415 0.887 0.530 0.911 0.589 CB 1.790 91 residues pruned to eliminate duplicates Z: 30 55.360 2.424 1.094 0.613 0.966 0.690 CB 1.884 30 residues pruned to eliminate duplicates Z: 87 73.835 2.427 1.000 0.538 0.907 0.593 CB 1.742 87 residues pruned to eliminate duplicates Z: 63 59.714 2.421 1.045 0.488 0.919 0.661 CB 1.687 63 residues pruned to eliminate duplicates Z: 84 71.480 2.440 0.935 0.538 0.928 0.578 CB 1.727 84 residues pruned to eliminate duplicates Z: 34 43.214 2.282 0.953 0.536 0.909 0.636 CA 1.792 47 residues pruned to eliminate duplicates Z: 92 66.983 2.373 0.949 0.523 0.901 0.615 CB 1.647 92 residues pruned to eliminate duplicates Z: 48 56.603 2.326 0.957 0.572 0.957 0.596 CA 1.767 48 residues pruned to eliminate duplicates Z: 63 60.674 2.325 0.933 0.542 0.935 0.661 CB 1.759 58 residues pruned to eliminate duplicates Z: 49 54.810 2.305 1.003 0.550 0.917 0.667 CB 1.780 49 residues pruned to eliminate duplicates Z: 41 40.571 2.093 0.884 0.566 0.950 0.575 CB 1.606 41 residues pruned to eliminate duplicates Z: 19 27.574 2.134 0.749 0.593 0.944 0.889 CA 1.687 19 residues pruned to eliminate duplicates Z: 19 30.482 2.166 0.781 0.712 1.000 0.778 CA 1.537 19 residues pruned to eliminate duplicates Z: 18 38.913 2.254 1.028 0.725 1.000 0.824 CA 1.685 18 residues pruned to eliminate duplicates Z: 21 32.278 2.144 0.798 0.694 0.950 0.800 CA 1.651 21 residues pruned to eliminate duplicates Z: 15 20.263 2.021 0.720 0.570 0.929 0.714 CA 1.568 15 residues pruned to eliminate duplicates Z: 21 33.858 2.102 0.894 0.709 1.000 0.850 CA 1.572 21 residues pruned to eliminate duplicates Z: 20 32.106 2.184 0.777 0.675 1.000 0.684 CB 1.616 20 residues pruned to eliminate duplicates Z: 18 39.708 2.267 1.048 0.718 1.000 0.882 CA 1.703 18 residues pruned to eliminate duplicates Z: 27 26.136 2.031 0.695 0.562 0.885 0.615 CB 1.585 27 residues pruned to eliminate duplicates Z: 19 31.586 2.209 0.884 0.613 0.944 0.611 CB 1.702 19 residues pruned to eliminate duplicates Z: 28 34.535 2.029 0.855 0.619 1.000 0.815 CB 1.578 28 residues pruned to eliminate duplicates Z: 19 36.598 2.212 0.925 0.664 1.000 0.722 CB 1.741 19 residues pruned to eliminate duplicates Z: 20 37.572 2.177 0.941 0.695 1.000 0.947 CA 1.708 20 residues pruned to eliminate duplicates Z: 43 25.991 2.014 0.543 0.462 0.857 0.524 CB 1.565 71 residues pruned to eliminate duplicates Z: 28 27.253 2.103 0.587 0.573 0.963 0.667 CB 1.522 Z: 6 5.616 1.727 0.284 0.400 1.000 0.600 CA 1.258 6 residues pruned to eliminate duplicates Z: 28 31.540 2.118 0.821 0.652 0.889 0.593 CB 1.537 27 residues pruned to eliminate duplicates Z: 16 27.486 2.277 0.512 0.821 0.933 0.733 CA 1.671 16 residues pruned to eliminate duplicates Z: 29 34.468 2.113 0.840 0.633 0.964 0.643 CB 1.534 29 residues pruned to eliminate duplicates Z: 15 33.916 2.164 0.746 0.939 1.000 0.786 CB 1.668 15 residues pruned to eliminate duplicates Z: 44 31.788 1.961 0.634 0.581 0.953 0.558 CB 1.468 47 residues pruned to eliminate duplicates Z: 15 31.528 2.168 0.767 0.930 1.000 0.786 CB 1.538 15 residues pruned to eliminate duplicates Z: 45 28.886 1.991 0.479 0.587 0.932 0.568 CB 1.460 45 residues pruned to eliminate duplicates Z: 30 27.784 2.064 0.743 0.586 0.897 0.414 CB 1.474 30 residues pruned to eliminate duplicates Z: 29 32.405 2.112 0.767 0.614 0.964 0.536 CB 1.528 29 residues pruned to eliminate duplicates Z: 14 35.119 2.286 1.056 0.908 0.923 0.692 CB 1.595 14 residues pruned to eliminate duplicates Z: 28 33.171 2.144 0.790 0.634 0.926 0.556 CB 1.584 28 residues pruned to eliminate duplicates Z: 31 29.905 2.043 0.780 0.600 0.967 0.500 CB 1.412 31 residues pruned to eliminate duplicates Z: 28 36.015 2.146 0.875 0.658 0.963 0.481 CB 1.545 29 residues pruned to eliminate duplicates Z: 14 39.613 2.252 1.135 0.930 1.000 0.692 CB 1.598 14 residues pruned to eliminate duplicates Z: 27 24.337 2.105 0.696 0.555 0.846 0.500 CB 1.497 27 residues pruned to eliminate duplicates Z: 26 36.086 2.152 0.863 0.631 1.000 0.400 CB 1.591 26 residues pruned to eliminate duplicates Z: 6 5.287 1.494 0.708 0.464 1.000 0.600 CA 0.961 6 residues pruned to eliminate duplicates Z: 29 33.106 2.100 0.758 0.633 0.929 0.464 CB 1.611 29 residues pruned to eliminate duplicates Z: 24 30.242 2.162 0.643 0.673 0.957 0.783 CA 1.583 24 residues pruned to eliminate duplicates Z: 24 31.803 2.132 0.677 0.643 1.000 0.609 CB 1.624 24 residues pruned to eliminate duplicates Z: 43 35.694 2.068 0.615 0.615 0.952 0.571 CB 1.553 43 residues pruned to eliminate duplicates Z: 44 33.948 2.036 0.600 0.629 0.953 0.698 CB 1.477 44 residues pruned to eliminate duplicates Z: 20 19.238 1.916 0.428 0.639 0.947 0.789 CB 1.494 20 residues pruned to eliminate duplicates Z: 22 16.854 1.903 0.233 0.638 0.905 0.714 CB 1.522 22 residues pruned to eliminate duplicates Z: 19 19.258 1.984 0.529 0.633 0.889 0.667 CB 1.486 19 residues pruned to eliminate duplicates Z: 45 35.303 2.031 0.541 0.619 0.977 0.705 CB 1.555 45 residues pruned to eliminate duplicates Z: 19 18.381 1.898 0.490 0.615 0.944 0.722 CA 1.454 19 residues pruned to eliminate duplicates Z: 41 23.914 1.902 0.680 0.472 0.875 0.625 CB 1.390 41 residues pruned to eliminate duplicates Z: 19 20.596 1.953 0.637 0.644 0.944 0.722 CB 1.405 19 residues pruned to eliminate duplicates Z: 50 27.975 1.904 0.634 0.460 0.939 0.653 CB 1.425 50 residues pruned to eliminate duplicates Z: 44 37.079 2.043 0.729 0.630 0.953 0.581 CB 1.487 44 residues pruned to eliminate duplicates Z: 28 19.802 1.949 0.627 0.483 0.889 0.630 CB 1.375 28 residues pruned to eliminate duplicates Z: 37 26.141 1.930 0.776 0.509 0.889 0.667 CB 1.417 37 residues pruned to eliminate duplicates Z: 20 18.580 1.930 0.701 0.596 0.895 0.526 CB 1.324 20 residues pruned to eliminate duplicates Z: 37 26.472 1.971 0.722 0.519 0.889 0.694 CB 1.436 37 residues pruned to eliminate duplicates Z: 31 24.953 1.808 0.642 0.573 0.967 0.600 CB 1.480 31 residues pruned to eliminate duplicates Z: 19 22.171 1.984 0.825 0.650 0.889 0.667 CB 1.411 19 residues pruned to eliminate duplicates Z: 38 21.079 1.892 0.697 0.471 0.811 0.514 CB 1.371 38 residues pruned to eliminate duplicates Z: 38 29.026 1.927 0.803 0.533 0.919 0.595 CB 1.447 38 residues pruned to eliminate duplicates Z: 73 38.335 1.998 0.704 0.523 0.944 0.667 CB 1.373 73 residues pruned to eliminate duplicates Z: 100 37.409 1.966 0.670 0.481 0.899 0.616 CB 1.299 100 residues pruned to eliminate duplicates Z: 36 27.125 1.966 0.793 0.527 0.914 0.571 CB 1.385 36 residues pruned to eliminate duplicates Z: 37 18.892 1.862 0.743 0.407 0.806 0.500 CB 1.327 37 residues pruned to eliminate duplicates Z: 63 39.798 2.012 0.816 0.550 0.903 0.629 CB 1.458 63 residues pruned to eliminate duplicates Z: 6 5.020 1.376 0.733 0.350 1.000 0.600 N 1.107 6 residues pruned to eliminate duplicates Z: 39 23.839 1.900 0.672 0.481 0.947 0.684 CB 1.309 39 residues pruned to eliminate duplicates Z: 32 16.104 1.987 0.645 0.249 0.871 0.645 CB 1.356 32 residues pruned to eliminate duplicates Z: 17 8.026 1.902 0.426 0.157 0.875 0.562 CB 1.286 17 residues pruned to eliminate duplicates Z: 22 8.355 1.871 0.497 0.126 0.762 0.571 CB 1.364 22 residues pruned to eliminate duplicates Z: 15 10.097 1.975 0.446 0.244 0.929 0.500 CB 1.369 15 residues pruned to eliminate duplicates Z: 17 12.409 1.936 0.577 0.244 0.938 0.562 CB 1.457 17 residues pruned to eliminate duplicates Z: 73 36.528 1.992 0.672 0.515 0.931 0.625 CB 1.368 73 residues pruned to eliminate duplicates Z: 51 30.030 1.983 0.751 0.456 0.920 0.660 CB 1.390 51 residues pruned to eliminate duplicates Z: 95 37.618 1.989 0.625 0.486 0.926 0.585 CB 1.315 95 residues pruned to eliminate duplicates Z: 30 14.483 1.989 0.595 0.208 0.862 0.655 CB 1.388 30 residues pruned to eliminate duplicates Z: 51 26.541 2.005 0.517 0.433 0.920 0.700 CB 1.437 51 residues pruned to eliminate duplicates Z: 51 21.824 2.001 0.507 0.376 0.940 0.600 CB 1.243 51 residues pruned to eliminate duplicates Z: 34 28.432 2.079 0.665 0.540 1.000 0.667 CB 1.376 34 residues pruned to eliminate duplicates Z: 31 27.644 2.142 0.549 0.564 1.000 0.700 CB 1.430 31 residues pruned to eliminate duplicates Z: 12 9.564 2.062 0.532 0.291 0.909 0.636 CB 1.269 12 residues pruned to eliminate duplicates Z: 51 30.555 2.114 0.561 0.518 0.960 0.680 CB 1.339 51 residues pruned to eliminate duplicates Z: 50 31.102 2.108 0.547 0.531 0.959 0.653 CB 1.378 50 residues pruned to eliminate duplicates Z: 10 11.194 2.207 0.372 0.356 1.000 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 13 10.158 2.041 0.509 0.290 0.917 0.583 CB 1.315 13 residues pruned to eliminate duplicates Z: 52 32.051 2.138 0.557 0.533 0.941 0.706 CB 1.386 57 residues pruned to eliminate duplicates Z: 7 7.613 1.930 0.953 0.539 0.833 0.500 CB 0.953 7 residues pruned to eliminate duplicates Z: 28 22.861 2.078 0.442 0.632 0.963 0.704 CB 1.347 28 residues pruned to eliminate duplicates Z: 24 16.071 2.052 0.232 0.631 0.913 0.609 CB 1.283 24 residues pruned to eliminate duplicates Z: 13 7.728 1.973 0.286 0.304 0.833 0.417 CB 1.312 13 residues pruned to eliminate duplicates Z: 29 22.394 2.058 0.612 0.656 0.929 0.643 CB 1.188 29 residues pruned to eliminate duplicates Z: 44 30.791 2.125 0.643 0.592 0.907 0.558 CB 1.358 44 residues pruned to eliminate duplicates Z: 24 20.424 2.077 0.450 0.684 0.913 0.652 CB 1.309 24 residues pruned to eliminate duplicates Z: 29 23.156 2.045 0.490 0.655 0.964 0.786 CB 1.289 29 residues pruned to eliminate duplicates Z: 47 26.136 2.065 0.604 0.527 0.848 0.565 CB 1.336 47 residues pruned to eliminate duplicates Z: 45 29.401 2.109 0.567 0.567 0.932 0.500 CB 1.349 45 residues pruned to eliminate duplicates Z: 94 38.420 2.019 0.668 0.502 0.903 0.634 CB 1.307 94 residues pruned to eliminate duplicates Z: 51 27.314 2.037 0.615 0.471 0.900 0.660 CB 1.343 51 residues pruned to eliminate duplicates Z: 70 33.018 2.054 0.646 0.447 0.928 0.609 CB 1.338 70 residues pruned to eliminate duplicates Z: 36 24.007 2.019 0.542 0.578 0.886 0.600 CB 1.366 36 residues pruned to eliminate duplicates Z: 57 29.972 2.048 0.620 0.495 0.929 0.589 CB 1.306 57 residues pruned to eliminate duplicates Z: 44 32.459 2.130 0.737 0.569 0.930 0.674 CB 1.346 43 residues pruned to eliminate duplicates Z: 17 21.121 1.987 0.668 0.896 0.938 0.812 CB 1.217 17 residues pruned to eliminate duplicates Z: 50 28.709 2.056 0.625 0.534 0.918 0.510 CB 1.292 50 residues pruned to eliminate duplicates Z: 29 23.986 2.045 0.650 0.600 0.893 0.571 CB 1.369 29 residues pruned to eliminate duplicates Z: 34 22.280 2.072 0.545 0.530 0.879 0.606 CB 1.339 34 residues pruned to eliminate duplicates Z: 46 33.139 2.095 0.721 0.599 0.889 0.489 CB 1.403 46 residues pruned to eliminate duplicates Z: 36 27.534 2.093 0.689 0.616 0.943 0.686 CB 1.251 36 residues pruned to eliminate duplicates Z: 28 25.053 2.050 0.694 0.611 0.889 0.519 CB 1.406 28 residues pruned to eliminate duplicates Z: 28 24.079 2.069 0.593 0.629 0.926 0.556 CB 1.345 28 residues pruned to eliminate duplicates Z: 16 18.606 2.233 0.530 0.545 0.867 0.667 CB 1.553 16 residues pruned to eliminate duplicates Z: 16 23.206 2.220 0.714 0.586 0.933 0.600 CB 1.554 16 residues pruned to eliminate duplicates Z: 16 21.816 2.213 0.705 0.562 0.933 0.733 CB 1.506 16 residues pruned to eliminate duplicates Z: 22 19.124 2.051 0.561 0.448 0.952 0.571 CB 1.444 18 residues pruned to eliminate duplicates Z: 7 4.137 1.798 0.255 0.273 0.833 0.500 CB 1.162 7 residues pruned to eliminate duplicates Z: 17 21.568 2.215 0.696 0.516 0.875 0.625 CB 1.615 17 residues pruned to eliminate duplicates Z: 16 20.986 2.247 0.658 0.525 0.867 0.600 CB 1.637 16 residues pruned to eliminate duplicates Z: 18 19.789 2.184 0.689 0.479 0.941 0.412 CB 1.412 18 residues pruned to eliminate duplicates Z: 28 16.542 1.927 0.720 0.395 0.889 0.630 CB 1.208 22 residues pruned to eliminate duplicates Z: 9 10.955 1.775 0.666 0.597 1.000 0.500 CA 1.194 9 residues pruned to eliminate duplicates Z: 17 23.141 2.207 0.717 0.462 1.000 0.500 CB 1.586 17 residues pruned to eliminate duplicates Z: 16 21.440 2.262 0.758 0.506 0.867 0.533 CB 1.597 16 residues pruned to eliminate duplicates Z: 16 19.509 2.270 0.646 0.438 0.867 0.533 CB 1.659 16 residues pruned to eliminate duplicates Z: 28 39.175 2.154 0.897 0.620 0.963 0.741 CB 1.711 28 residues pruned to eliminate duplicates Z: 28 41.369 2.177 0.945 0.634 0.963 0.704 CB 1.723 28 residues pruned to eliminate duplicates Z: 6 8.730 1.544 1.076 0.464 1.000 0.600 O 1.264 6 residues pruned to eliminate duplicates Z: 29 39.985 2.141 0.858 0.585 1.000 0.714 CB 1.751 29 residues pruned to eliminate duplicates Z: 28 42.142 2.203 0.867 0.610 1.000 0.667 CB 1.777 28 residues pruned to eliminate duplicates Z: 14 21.712 2.099 0.701 0.667 0.923 0.692 CB 1.566 14 residues pruned to eliminate duplicates Z: 31 33.693 2.116 0.728 0.543 0.933 0.600 CB 1.728 31 residues pruned to eliminate duplicates Z: 29 41.159 2.146 0.851 0.619 1.000 0.714 CB 1.750 29 residues pruned to eliminate duplicates Z: 29 36.218 2.178 0.786 0.605 0.929 0.643 CB 1.713 29 residues pruned to eliminate duplicates Z: 13 22.402 2.182 0.501 0.792 1.000 0.667 CB 1.528 13 residues pruned to eliminate duplicates Z: 30 35.246 2.158 0.841 0.572 0.931 0.621 CB 1.651 30 residues pruned to eliminate duplicates Z: 30 40.599 2.088 0.962 0.638 1.000 0.724 CB 1.617 30 residues pruned to eliminate duplicates Z: 30 41.893 2.150 1.010 0.607 0.931 0.621 CB 1.746 30 residues pruned to eliminate duplicates Z: 29 40.448 2.165 0.857 0.612 0.964 0.607 CA 1.773 29 residues pruned to eliminate duplicates Z: 28 38.950 2.183 0.764 0.655 1.000 0.778 CA 1.685 28 residues pruned to eliminate duplicates Z: 28 42.572 2.199 0.924 0.652 1.000 0.741 CB 1.681 28 residues pruned to eliminate duplicates Z: 31 35.498 2.128 0.783 0.578 0.967 0.633 CB 1.639 31 residues pruned to eliminate duplicates Z: 29 40.748 2.198 0.876 0.630 1.000 0.679 CB 1.653 29 residues pruned to eliminate duplicates Z: 29 43.540 2.148 1.006 0.615 1.000 0.714 CB 1.713 29 residues pruned to eliminate duplicates Z: 52 39.647 2.107 0.759 0.531 0.863 0.647 CB 1.684 52 residues pruned to eliminate duplicates Z: 28 41.757 2.213 0.871 0.609 1.000 0.704 CB 1.750 28 residues pruned to eliminate duplicates Z: 62 43.245 2.121 0.797 0.564 0.934 0.672 CB 1.462 125 residues pruned to eliminate duplicates Z: 31 35.797 2.160 0.695 0.603 0.967 0.567 CB 1.674 Z: 6 7.009 1.498 1.186 0.426 1.000 0.600 CA 1.033 6 residues pruned to eliminate duplicates Z: 9 12.518 2.000 0.557 0.496 0.875 0.500 CB 1.631 9 residues pruned to eliminate duplicates Z: 32 38.820 2.129 0.921 0.592 0.968 0.710 CB 1.613 32 residues pruned to eliminate duplicates Z: 7 5.397 1.754 0.304 0.278 1.000 0.333 O 1.237 7 residues pruned to eliminate duplicates Z: 6 12.207 2.068 0.555 0.474 1.000 0.600 CA 1.744 6 residues pruned to eliminate duplicates Z: 32 39.377 2.140 0.857 0.574 1.000 0.613 CB 1.657 32 residues pruned to eliminate duplicates Z: 11 8.970 1.899 0.426 0.385 0.900 0.600 N 1.315 11 residues pruned to eliminate duplicates 364 residues left after pruning, divided into chains as follows: A: 13 B: 178 C: 28 D: 114 E: 31 CC for partial structure against native data = 37.97 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.596, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.693, Connect. = 0.740 for dens.mod. cycle 2 = 0.300, Contrast = 0.839, Connect. = 0.775 for dens.mod. cycle 3 = 0.300, Contrast = 0.864, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.885, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.893, Connect. = 0.782 for dens.mod. cycle 6 = 0.300, Contrast = 0.901, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.904, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.906, Connect. = 0.785 for dens.mod. cycle 9 = 0.300, Contrast = 0.906, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2141 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 461 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 18.194 2.409 0.436 0.901 0.833 0.833 CA 1.839 B: 56 52.049 2.418 1.025 0.502 0.891 0.655 CB 1.605 C: 15 44.313 2.474 0.978 0.901 1.000 0.929 CA 1.727 7 residues pruned to eliminate duplicates D: 10 20.418 2.166 0.578 0.843 0.889 0.889 CA 1.668 E: 12 28.796 2.074 1.007 0.821 1.000 0.909 CA 1.579 F: 17 35.402 2.383 0.818 0.862 0.875 0.625 CA 1.714 17 residues pruned to eliminate duplicates G: 30 26.514 2.226 0.978 0.270 0.931 0.552 CB 1.560 7 residues pruned to eliminate duplicates H: 15 41.207 2.435 0.855 0.915 1.000 0.714 CB 1.724 15 residues pruned to eliminate duplicates I: 58 52.891 2.408 1.046 0.493 0.895 0.561 CB 1.600 58 residues pruned to eliminate duplicates J: 14 32.785 2.264 0.777 0.909 1.000 0.846 CB 1.604 K: 10 25.258 2.221 0.628 0.872 1.000 0.889 CA 1.698 10 residues pruned to eliminate duplicates L: 9 26.574 2.309 0.712 0.849 1.000 0.875 CB 1.762 9 residues pruned to eliminate duplicates M: 14 46.045 2.626 0.961 0.950 1.000 0.923 CA 1.710 14 residues pruned to eliminate duplicates N: 62 60.607 2.400 0.990 0.510 0.918 0.590 CB 1.752 30 residues pruned to eliminate duplicates O: 62 63.745 2.392 1.142 0.627 0.869 0.492 CB 1.627 72 residues pruned to eliminate duplicates P: 13 33.904 2.300 0.757 0.909 1.000 0.750 CB 1.720 13 residues pruned to eliminate duplicates Q: 31 49.745 2.384 1.010 0.592 0.933 0.633 CA 1.859 31 residues pruned to eliminate duplicates R: 16 36.683 2.425 0.642 0.949 0.933 0.733 CA 1.759 16 residues pruned to eliminate duplicates S: 31 53.321 2.350 1.086 0.598 1.000 0.667 CB 1.808 30 residues pruned to eliminate duplicates T: 16 15.366 2.005 0.754 0.497 0.867 0.667 CB 1.305 16 residues pruned to eliminate duplicates U: 21 18.841 1.995 0.532 0.625 0.950 0.700 CB 1.290 V: 17 40.418 2.380 1.084 0.892 0.875 0.250 CB 1.673 17 residues pruned to eliminate duplicates W: 14 32.789 2.430 0.798 0.903 1.000 0.769 CA 1.484 14 residues pruned to eliminate duplicates X: 15 38.143 2.449 0.905 0.900 0.929 0.857 CA 1.680 15 residues pruned to eliminate duplicates Y: 10 19.174 1.968 1.051 0.747 0.889 0.556 CA 1.429 Z: 17 41.629 2.397 0.754 0.931 1.000 0.875 CB 1.730 17 residues pruned to eliminate duplicates Z: 63 55.141 2.417 0.893 0.473 0.919 0.565 CB 1.711 63 residues pruned to eliminate duplicates Z: 19 34.848 2.188 0.987 0.879 0.833 0.389 CB 1.644 19 residues pruned to eliminate duplicates Z: 16 28.000 2.264 0.558 0.844 0.933 0.733 CA 1.634 16 residues pruned to eliminate duplicates Z: 16 51.820 2.343 1.569 0.893 0.933 0.667 CB 1.709 21 residues pruned to eliminate duplicates Z: 91 68.004 2.391 0.930 0.544 0.911 0.600 CB 1.633 91 residues pruned to eliminate duplicates Z: 13 20.933 2.133 0.935 0.805 0.917 0.667 CB 1.224 Z: 29 50.365 2.495 1.031 0.623 0.893 0.393 CB 1.874 25 residues pruned to eliminate duplicates Z: 15 38.722 2.498 1.249 0.902 0.857 0.429 CB 1.532 15 residues pruned to eliminate duplicates Z: 13 31.253 2.249 0.737 0.800 1.000 0.917 CA 1.776 13 residues pruned to eliminate duplicates Z: 16 35.431 2.341 0.731 0.902 1.000 0.667 CA 1.610 16 residues pruned to eliminate duplicates Z: 16 30.040 2.388 0.472 0.916 0.933 0.733 CA 1.670 16 residues pruned to eliminate duplicates Z: 17 38.036 2.348 0.869 0.897 0.938 0.562 CB 1.655 17 residues pruned to eliminate duplicates Z: 32 35.437 2.114 0.869 0.569 0.871 0.645 CB 1.729 19 residues pruned to eliminate duplicates Z: 13 26.602 2.213 0.669 0.765 1.000 0.750 CA 1.643 13 residues pruned to eliminate duplicates Z: 16 47.454 2.482 1.091 0.935 1.000 0.800 CA 1.646 16 residues pruned to eliminate duplicates Z: 17 39.009 2.253 1.020 0.878 0.938 0.562 CA 1.660 17 residues pruned to eliminate duplicates Z: 37 46.745 2.478 0.839 0.659 0.861 0.667 CB 1.713 37 residues pruned to eliminate duplicates Z: 15 24.918 1.951 0.661 0.934 1.000 1.000 CA 1.433 Z: 14 29.840 2.277 0.557 0.940 1.000 1.000 CA 1.622 14 residues pruned to eliminate duplicates Z: 115 71.537 2.370 0.944 0.464 0.904 0.553 CB 1.669 115 residues pruned to eliminate duplicates Z: 85 77.333 2.461 1.004 0.542 0.917 0.595 CB 1.791 85 residues pruned to eliminate duplicates Z: 17 41.273 2.356 1.018 0.873 0.938 0.625 CB 1.686 17 residues pruned to eliminate duplicates Z: 90 71.388 2.433 0.971 0.522 0.888 0.607 CB 1.739 90 residues pruned to eliminate duplicates Z: 37 45.170 2.446 0.920 0.622 0.889 0.500 CB 1.607 37 residues pruned to eliminate duplicates Z: 13 19.874 2.153 0.400 0.803 1.000 0.750 CB 1.460 13 residues pruned to eliminate duplicates Z: 17 34.366 2.356 0.686 0.918 0.938 0.625 CA 1.627 17 residues pruned to eliminate duplicates Z: 16 24.474 2.027 0.622 0.942 0.933 0.733 CA 1.428 16 residues pruned to eliminate duplicates Z: 14 25.250 2.245 0.431 0.932 1.000 0.923 CA 1.522 14 residues pruned to eliminate duplicates Z: 40 51.995 2.392 0.984 0.567 0.923 0.615 CB 1.781 40 residues pruned to eliminate duplicates Z: 33 37.646 2.311 0.778 0.515 0.938 0.688 CB 1.702 33 residues pruned to eliminate duplicates Z: 13 25.554 2.231 0.600 0.930 1.000 0.917 CA 1.446 13 residues pruned to eliminate duplicates Z: 14 25.284 2.087 0.805 0.717 1.000 0.692 CA 1.529 14 residues pruned to eliminate duplicates Z: 10 10.304 1.956 0.947 0.605 1.000 0.667 CB 0.817 Z: 16 38.331 2.444 0.696 0.920 0.933 0.800 CB 1.801 16 residues pruned to eliminate duplicates Z: 13 17.410 2.158 0.431 0.808 0.917 0.750 CB 1.357 13 residues pruned to eliminate duplicates Z: 13 23.634 2.141 0.652 0.805 1.000 0.833 CA 1.478 13 residues pruned to eliminate duplicates Z: 14 11.805 1.904 0.207 0.557 0.923 0.769 CA 1.460 14 residues pruned to eliminate duplicates Z: 20 34.014 2.119 0.830 0.702 1.000 0.789 CB 1.674 12 residues pruned to eliminate duplicates Z: 28 28.768 1.985 0.687 0.620 0.963 0.778 CB 1.533 21 residues pruned to eliminate duplicates Z: 14 21.711 2.127 0.520 0.852 1.000 0.846 CA 1.377 14 residues pruned to eliminate duplicates Z: 14 22.557 2.065 0.683 0.727 1.000 0.462 CA 1.467 14 residues pruned to eliminate duplicates Z: 20 23.550 2.129 0.283 0.883 0.895 0.789 CA 1.599 20 residues pruned to eliminate duplicates Z: 16 21.277 1.908 0.703 0.894 0.933 0.867 CA 1.300 15 residues pruned to eliminate duplicates Z: 11 18.515 2.051 0.614 0.912 1.000 0.800 CA 1.252 11 residues pruned to eliminate duplicates Z: 6 6.114 1.884 0.134 0.620 0.800 0.600 N 1.428 Z: 16 19.267 1.893 0.472 0.904 1.000 0.867 CA 1.272 16 residues pruned to eliminate duplicates Z: 113 68.881 2.390 0.831 0.482 0.902 0.661 CB 1.680 119 residues pruned to eliminate duplicates Z: 11 16.174 1.760 0.818 0.831 0.900 0.700 CA 1.334 11 residues pruned to eliminate duplicates Z: 18 17.777 2.102 0.662 0.484 0.882 0.706 CB 1.422 Z: 13 23.044 2.210 0.616 0.811 0.917 0.833 CA 1.551 13 residues pruned to eliminate duplicates Z: 8 6.941 1.838 0.695 0.559 0.714 0.429 CA 1.113 8 residues pruned to eliminate duplicates Z: 17 28.959 2.355 0.359 0.885 1.000 0.938 CA 1.633 17 residues pruned to eliminate duplicates Z: 16 52.220 2.354 1.358 0.916 1.000 0.333 CB 1.714 16 residues pruned to eliminate duplicates Z: 15 20.233 1.841 0.539 0.926 1.000 0.857 CA 1.339 Z: 9 27.491 2.347 0.814 0.804 1.000 0.250 CA 1.750 10 residues pruned to eliminate duplicates Z: 28 39.702 2.162 0.928 0.631 0.963 0.704 CB 1.683 29 residues pruned to eliminate duplicates Z: 9 21.208 2.082 0.788 0.854 1.000 0.750 CA 1.488 9 residues pruned to eliminate duplicates Z: 15 24.668 2.058 0.685 0.912 1.000 0.714 CB 1.346 Z: 21 23.323 2.134 0.406 0.804 0.900 0.800 CA 1.481 21 residues pruned to eliminate duplicates Z: 16 13.610 1.843 0.743 0.515 0.933 0.600 CB 1.154 15 residues pruned to eliminate duplicates Z: 15 29.597 2.137 0.577 0.923 1.000 0.714 CB 1.650 15 residues pruned to eliminate duplicates Z: 27 46.230 2.481 1.037 0.584 0.923 0.538 CA 1.793 27 residues pruned to eliminate duplicates Z: 46 50.800 2.270 0.968 0.536 0.956 0.644 CB 1.712 46 residues pruned to eliminate duplicates Z: 30 46.019 2.431 1.052 0.589 0.931 0.345 CB 1.690 30 residues pruned to eliminate duplicates Z: 25 27.116 2.322 0.953 0.350 0.917 0.583 CB 1.566 25 residues pruned to eliminate duplicates Z: 17 17.232 2.080 0.621 0.535 0.875 0.312 CB 1.412 17 residues pruned to eliminate duplicates Z: 14 17.967 2.035 0.358 0.786 0.923 0.769 CB 1.520 14 residues pruned to eliminate duplicates Z: 9 4.012 2.086 -0.437 0.767 1.000 0.750 CB 0.952 Z: 58 54.850 2.458 0.892 0.512 0.930 0.579 CB 1.660 58 residues pruned to eliminate duplicates Z: 14 32.983 2.265 0.882 0.911 0.923 0.769 CA 1.647 14 residues pruned to eliminate duplicates Z: 9 19.260 2.124 0.608 0.806 1.000 0.750 CA 1.527 9 residues pruned to eliminate duplicates Z: 10 23.056 2.321 0.618 0.741 1.000 1.000 CB 1.649 10 residues pruned to eliminate duplicates Z: 14 26.083 2.159 0.698 0.752 0.923 0.769 CA 1.708 14 residues pruned to eliminate duplicates Z: 10 28.287 2.239 1.107 0.679 1.000 0.778 CA 1.695 11 residues pruned to eliminate duplicates Z: 29 35.417 2.113 0.875 0.570 0.964 0.643 CB 1.638 29 residues pruned to eliminate duplicates Z: 29 26.938 2.128 0.755 0.650 0.821 0.607 CB 1.443 14 residues pruned to eliminate duplicates Z: 63 51.792 2.388 0.990 0.387 0.919 0.548 CB 1.697 63 residues pruned to eliminate duplicates Z: 34 23.882 2.008 0.642 0.523 0.939 0.667 CB 1.312 15 residues pruned to eliminate duplicates Z: 16 19.983 2.030 0.315 0.874 1.000 1.000 CA 1.407 15 residues pruned to eliminate duplicates Z: 27 38.269 2.206 0.762 0.630 1.000 0.654 CB 1.708 27 residues pruned to eliminate duplicates Z: 14 16.507 2.018 0.488 0.709 0.923 0.538 CB 1.366 14 residues pruned to eliminate duplicates Z: 28 21.375 1.954 0.593 0.508 0.889 0.593 CB 1.476 28 residues pruned to eliminate duplicates Z: 34 23.265 2.007 0.453 0.595 0.970 0.636 CB 1.308 34 residues pruned to eliminate duplicates Z: 14 18.006 2.038 0.615 0.799 0.923 0.692 CB 1.266 14 residues pruned to eliminate duplicates Z: 112 69.323 2.362 0.948 0.452 0.928 0.532 CB 1.618 112 residues pruned to eliminate duplicates Z: 38 43.479 2.469 0.822 0.644 0.838 0.622 CB 1.658 38 residues pruned to eliminate duplicates Z: 27 32.789 2.023 0.905 0.593 1.000 0.692 CB 1.527 27 residues pruned to eliminate duplicates Z: 59 53.386 2.370 0.886 0.467 0.914 0.552 CB 1.775 59 residues pruned to eliminate duplicates Z: 9 13.607 1.623 0.775 0.786 1.000 0.750 CB 1.298 9 residues pruned to eliminate duplicates Z: 31 22.907 2.232 1.001 0.240 0.833 0.567 CB 1.518 31 residues pruned to eliminate duplicates Z: 13 14.132 2.038 0.595 0.443 0.833 0.417 CB 1.596 13 residues pruned to eliminate duplicates Z: 23 14.961 2.065 0.833 0.250 0.818 0.545 CB 1.373 Z: 55 39.655 2.274 0.700 0.481 0.889 0.574 CB 1.600 55 residues pruned to eliminate duplicates Z: 13 10.381 1.959 0.606 0.309 0.917 0.500 CB 1.284 14 residues pruned to eliminate duplicates Z: 18 47.289 2.306 1.261 0.904 0.941 0.529 CB 1.664 18 residues pruned to eliminate duplicates Z: 18 19.219 1.905 0.384 0.889 1.000 0.941 CB 1.272 18 residues pruned to eliminate duplicates Z: 8 12.457 1.637 0.862 0.652 1.000 0.714 N 1.340 6 residues pruned to eliminate duplicates Z: 9 22.334 2.301 0.738 0.849 1.000 0.750 CB 1.464 9 residues pruned to eliminate duplicates Z: 84 57.295 2.394 0.854 0.440 0.928 0.590 CB 1.625 106 residues pruned to eliminate duplicates Z: 21 25.608 2.035 0.724 0.596 0.950 0.700 CB 1.568 21 residues pruned to eliminate duplicates Z: 29 41.839 2.133 1.021 0.600 0.964 0.714 CB 1.729 29 residues pruned to eliminate duplicates Z: 17 20.541 1.935 0.745 0.891 0.875 0.438 CB 1.250 17 residues pruned to eliminate duplicates Z: 12 27.553 2.062 1.173 0.773 1.000 0.909 CB 1.456 12 residues pruned to eliminate duplicates Z: 22 19.756 2.059 0.676 0.443 0.905 0.619 CB 1.464 19 residues pruned to eliminate duplicates Z: 6 12.958 1.834 0.820 0.805 1.000 0.800 CA 1.330 Z: 6 5.288 1.685 0.162 0.836 1.000 0.800 CB 0.904 6 residues pruned to eliminate duplicates Z: 16 26.345 1.853 1.012 0.901 0.933 0.667 CA 1.395 17 residues pruned to eliminate duplicates Z: 15 23.007 2.099 0.811 0.899 0.857 0.643 CB 1.349 15 residues pruned to eliminate duplicates Z: 16 30.137 2.063 0.889 0.914 1.000 0.667 CB 1.412 16 residues pruned to eliminate duplicates Z: 43 52.647 2.397 0.884 0.602 0.952 0.500 CB 1.714 43 residues pruned to eliminate duplicates Z: 14 13.691 2.088 0.359 0.518 0.846 0.385 CB 1.553 11 residues pruned to eliminate duplicates Z: 7 5.453 1.876 0.021 0.349 1.000 0.500 CB 1.369 Z: 6 5.285 2.085 1.333 0.654 0.800 0.600 CB 0.526 Z: 17 21.879 1.970 0.475 0.889 0.938 0.688 CB 1.446 17 residues pruned to eliminate duplicates Z: 10 11.346 2.057 0.561 0.455 0.889 0.667 CB 1.387 Z: 31 40.639 2.299 0.839 0.600 0.933 0.533 CA 1.709 31 residues pruned to eliminate duplicates Z: 6 3.999 1.368 0.843 0.840 0.800 0.600 N 0.662 6 residues pruned to eliminate duplicates Z: 12 16.283 2.157 1.084 0.366 0.818 0.636 CB 1.541 12 residues pruned to eliminate duplicates Z: 27 32.441 2.145 0.651 0.676 0.923 0.692 CB 1.656 29 residues pruned to eliminate duplicates Z: 18 24.908 1.920 0.903 0.900 0.941 0.706 CB 1.255 18 residues pruned to eliminate duplicates Z: 16 23.467 2.215 0.750 0.574 0.933 0.733 CB 1.559 16 residues pruned to eliminate duplicates Z: 14 24.349 2.239 0.665 0.891 0.923 0.462 CB 1.411 14 residues pruned to eliminate duplicates Z: 6 5.145 1.927 -0.282 0.504 1.000 0.800 CB 1.656 Z: 8 4.619 1.797 -0.186 0.382 0.857 0.429 CB 1.579 Z: 9 4.499 1.768 0.016 0.378 0.750 0.500 CB 1.344 9 residues pruned to eliminate duplicates Z: 21 25.474 2.056 0.687 0.732 1.000 0.550 CB 1.333 21 residues pruned to eliminate duplicates Z: 12 22.527 2.234 1.114 0.461 0.909 0.636 CA 1.646 12 residues pruned to eliminate duplicates Z: 15 21.963 2.126 0.523 0.909 0.929 0.929 CB 1.385 15 residues pruned to eliminate duplicates Z: 6 5.997 1.783 0.366 0.656 0.800 0.800 CB 1.191 6 residues pruned to eliminate duplicates Z: 16 16.216 1.728 0.322 0.934 1.000 0.800 CA 1.278 16 residues pruned to eliminate duplicates Z: 18 18.541 1.848 0.343 0.874 1.000 0.882 CB 1.319 18 residues pruned to eliminate duplicates Z: 17 18.736 1.949 0.382 0.896 0.938 0.875 CA 1.329 17 residues pruned to eliminate duplicates Z: 15 25.700 2.119 0.614 0.872 0.929 0.571 CB 1.576 15 residues pruned to eliminate duplicates Z: 88 73.148 2.449 0.957 0.542 0.908 0.529 CB 1.730 88 residues pruned to eliminate duplicates Z: 9 2.043 1.722 -0.157 0.340 0.625 0.375 CB 0.948 9 residues pruned to eliminate duplicates Z: 7 13.335 2.059 0.593 0.809 1.000 0.667 CA 1.268 7 residues pruned to eliminate duplicates Z: 8 9.046 1.877 0.505 0.607 0.714 0.714 C 1.531 Z: 27 31.853 2.016 0.818 0.597 1.000 0.769 CB 1.554 27 residues pruned to eliminate duplicates Z: 16 28.285 1.972 0.972 0.928 1.000 0.800 CA 1.315 16 residues pruned to eliminate duplicates Z: 8 6.560 1.780 0.835 0.525 0.714 0.714 CB 1.037 7 residues pruned to eliminate duplicates Z: 19 27.023 2.024 1.013 0.696 1.000 0.778 CB 1.308 19 residues pruned to eliminate duplicates Z: 6 5.683 1.705 0.273 0.647 0.800 0.800 CB 1.277 Z: 40 49.273 2.326 0.923 0.572 0.949 0.667 CB 1.734 40 residues pruned to eliminate duplicates Z: 17 15.764 2.046 0.178 0.847 0.938 0.625 CA 1.295 17 residues pruned to eliminate duplicates Z: 6 16.113 2.176 1.381 0.689 0.800 0.800 CA 1.462 Z: 6 3.894 1.921 -0.093 0.703 0.800 0.600 CB 1.038 Z: 16 34.162 1.906 1.192 0.930 1.000 0.533 CA 1.476 16 residues pruned to eliminate duplicates Z: 29 38.698 2.093 0.951 0.609 1.000 0.714 CB 1.614 28 residues pruned to eliminate duplicates Z: 12 15.462 2.030 0.808 0.467 1.000 0.636 CB 1.313 12 residues pruned to eliminate duplicates Z: 8 7.366 1.503 0.457 0.829 1.000 0.571 CB 0.957 8 residues pruned to eliminate duplicates Z: 12 21.178 2.061 0.614 0.806 1.000 0.727 CB 1.470 12 residues pruned to eliminate duplicates Z: 13 21.644 2.141 0.545 0.788 1.000 0.500 CB 1.467 13 residues pruned to eliminate duplicates Z: 60 45.350 2.339 0.877 0.461 0.864 0.542 CB 1.618 60 residues pruned to eliminate duplicates Z: 10 12.975 1.873 0.403 0.807 0.889 0.556 CA 1.417 10 residues pruned to eliminate duplicates Z: 16 25.159 1.860 0.702 0.926 1.000 0.867 CA 1.439 15 residues pruned to eliminate duplicates Z: 12 11.723 1.797 0.981 0.572 1.000 0.636 CB 0.926 12 residues pruned to eliminate duplicates Z: 9 19.388 2.303 0.698 0.727 1.000 0.500 CB 1.429 9 residues pruned to eliminate duplicates Z: 9 26.404 2.292 0.943 0.896 0.875 0.625 CB 1.717 9 residues pruned to eliminate duplicates Z: 33 24.204 2.234 0.838 0.331 0.906 0.531 CB 1.383 33 residues pruned to eliminate duplicates Z: 15 24.972 1.912 0.701 0.924 1.000 0.857 CB 1.442 15 residues pruned to eliminate duplicates Z: 10 16.254 1.682 0.718 0.893 1.000 0.778 CA 1.346 10 residues pruned to eliminate duplicates Z: 12 9.835 2.298 0.176 0.476 0.727 0.545 CB 1.545 12 residues pruned to eliminate duplicates Z: 65 27.133 1.924 0.542 0.431 0.906 0.594 CB 1.356 44 residues pruned to eliminate duplicates Z: 13 16.748 2.127 0.508 0.789 0.833 0.667 CB 1.403 13 residues pruned to eliminate duplicates Z: 14 18.085 1.998 0.480 0.849 1.000 0.846 CB 1.257 14 residues pruned to eliminate duplicates Z: 12 16.318 2.133 0.693 0.717 0.818 0.545 CB 1.367 12 residues pruned to eliminate duplicates Z: 16 21.636 1.796 0.616 0.909 1.000 0.733 CB 1.367 16 residues pruned to eliminate duplicates Z: 15 27.693 2.268 0.913 0.578 0.929 0.857 CB 1.704 21 residues pruned to eliminate duplicates Z: 8 3.989 1.625 0.461 0.210 0.857 0.429 O 1.044 Z: 17 21.639 1.975 0.409 0.880 1.000 0.812 CB 1.409 17 residues pruned to eliminate duplicates Z: 17 21.995 1.951 0.605 0.866 0.938 0.750 CA 1.371 17 residues pruned to eliminate duplicates Z: 19 11.898 1.921 0.180 0.550 0.778 0.611 CA 1.514 25 residues pruned to eliminate duplicates Z: 8 3.334 1.735 -0.027 0.539 1.000 0.714 CB 0.718 Z: 11 33.958 2.557 0.711 0.898 1.000 1.000 CA 1.756 11 residues pruned to eliminate duplicates Z: 30 28.824 2.057 0.818 0.570 0.931 0.517 CB 1.437 29 residues pruned to eliminate duplicates Z: 16 16.815 1.794 0.483 0.890 0.867 0.867 CA 1.355 16 residues pruned to eliminate duplicates Z: 27 24.067 1.908 0.863 0.608 0.923 0.577 CB 1.298 32 residues pruned to eliminate duplicates Z: 6 2.729 1.582 -0.245 0.661 0.800 0.800 CB 1.101 6 residues pruned to eliminate duplicates Z: 6 7.789 1.696 0.382 0.771 1.000 0.600 CB 1.169 Z: 89 75.625 2.443 1.026 0.534 0.886 0.670 CB 1.777 89 residues pruned to eliminate duplicates Z: 46 29.740 1.939 0.721 0.567 0.933 0.689 CB 1.334 38 residues pruned to eliminate duplicates Z: 20 17.379 1.910 0.814 0.463 0.895 0.526 CB 1.335 20 residues pruned to eliminate duplicates Z: 17 17.520 1.891 0.264 0.893 1.000 0.875 CB 1.315 17 residues pruned to eliminate duplicates Z: 15 23.841 1.948 0.564 0.938 1.000 1.000 CA 1.454 15 residues pruned to eliminate duplicates Z: 26 27.766 2.113 0.616 0.607 0.960 0.720 CA 1.530 26 residues pruned to eliminate duplicates Z: 8 3.519 1.771 -0.143 0.689 0.857 0.857 CB 0.859 7 residues pruned to eliminate duplicates Z: 10 4.375 1.706 -0.122 0.279 1.000 0.444 CB 1.249 Z: 16 22.424 1.790 0.645 0.925 1.000 0.800 CA 1.380 16 residues pruned to eliminate duplicates Z: 16 22.132 1.871 0.555 0.922 1.000 0.800 CA 1.381 16 residues pruned to eliminate duplicates Z: 20 54.826 2.536 1.179 0.724 1.000 0.632 CA 1.860 20 residues pruned to eliminate duplicates Z: 20 29.701 2.127 0.808 0.660 0.947 0.684 CA 1.612 20 residues pruned to eliminate duplicates Z: 9 15.686 2.111 1.057 0.534 0.875 0.875 CA 1.412 Z: 90 74.787 2.410 0.969 0.518 0.944 0.618 CB 1.739 90 residues pruned to eliminate duplicates Z: 7 3.731 1.543 0.832 0.390 0.667 0.500 CB 0.908 7 residues pruned to eliminate duplicates Z: 25 46.711 2.551 0.917 0.666 0.917 0.708 CB 1.825 25 residues pruned to eliminate duplicates Z: 6 8.650 1.703 0.537 0.689 1.000 0.600 CA 1.244 Z: 12 11.842 1.786 0.846 0.695 0.909 0.818 CA 0.997 Z: 32 22.250 1.857 0.753 0.520 0.968 0.806 CB 1.244 33 residues pruned to eliminate duplicates Z: 45 31.000 2.014 0.838 0.478 0.955 0.636 CB 1.352 21 residues pruned to eliminate duplicates Z: 48 45.212 2.293 0.906 0.485 0.915 0.638 CA 1.674 48 residues pruned to eliminate duplicates Z: 8 9.384 1.921 0.526 0.580 0.857 0.571 CA 1.306 8 residues pruned to eliminate duplicates Z: 12 3.323 1.768 0.216 0.165 0.727 0.364 CB 0.963 12 residues pruned to eliminate duplicates Z: 7 8.489 2.109 -0.345 0.833 1.000 0.833 CB 1.881 6 residues pruned to eliminate duplicates Z: 7 4.896 1.615 0.784 0.386 0.833 0.500 CB 0.940 Z: 6 2.476 1.590 0.789 0.463 0.600 0.600 CB 0.673 6 residues pruned to eliminate duplicates Z: 76 60.833 2.407 0.863 0.552 0.907 0.640 CB 1.643 76 residues pruned to eliminate duplicates Z: 9 7.691 1.652 0.730 0.326 0.875 0.250 CA 1.317 9 residues pruned to eliminate duplicates Z: 6 2.369 1.444 1.072 0.536 0.600 0.600 CB 0.570 Z: 45 45.114 2.222 0.793 0.595 0.977 0.636 CB 1.594 104 residues pruned to eliminate duplicates Z: 16 13.139 1.750 0.667 0.542 0.867 0.667 CB 1.288 Z: 17 14.228 1.857 0.665 0.539 0.938 0.688 CB 1.181 14 residues pruned to eliminate duplicates Z: 61 44.912 2.327 0.935 0.460 0.850 0.467 CB 1.579 61 residues pruned to eliminate duplicates Z: 12 3.749 1.886 0.393 0.158 0.636 0.455 CB 1.028 Z: 19 28.309 2.148 0.799 0.594 0.944 0.667 CA 1.671 19 residues pruned to eliminate duplicates Z: 9 18.997 2.113 0.704 0.846 0.875 0.750 CA 1.585 9 residues pruned to eliminate duplicates Z: 13 12.043 1.776 0.600 0.627 0.833 0.750 CA 1.302 Z: 12 6.549 1.597 0.438 0.539 1.000 0.727 CA 0.828 12 residues pruned to eliminate duplicates Z: 15 26.973 1.989 0.895 0.906 0.929 0.857 CB 1.466 15 residues pruned to eliminate duplicates Z: 23 50.436 2.310 1.282 0.680 0.955 0.545 CA 1.810 23 residues pruned to eliminate duplicates Z: 11 20.504 1.918 0.743 0.866 1.000 0.700 CB 1.420 11 residues pruned to eliminate duplicates Z: 11 19.105 2.008 0.463 0.765 1.000 0.800 CB 1.626 11 residues pruned to eliminate duplicates Z: 50 25.566 2.008 0.546 0.446 0.918 0.633 CB 1.354 50 residues pruned to eliminate duplicates Z: 15 30.556 1.962 1.101 0.904 0.929 0.500 CB 1.520 15 residues pruned to eliminate duplicates Z: 43 28.868 2.030 0.597 0.610 0.857 0.619 CB 1.445 57 residues pruned to eliminate duplicates Z: 6 6.363 1.525 0.862 0.556 1.000 0.600 CB 0.949 6 residues pruned to eliminate duplicates Z: 20 14.268 1.738 0.439 0.636 0.947 0.684 CB 1.216 20 residues pruned to eliminate duplicates Z: 30 40.241 2.441 0.680 0.613 0.931 0.690 CA 1.759 30 residues pruned to eliminate duplicates Z: 14 29.477 2.175 1.068 0.940 0.923 0.308 CB 1.367 14 residues pruned to eliminate duplicates Z: 18 19.765 2.283 0.922 0.298 0.882 0.647 CB 1.551 49 residues pruned to eliminate duplicates Z: 6 15.106 1.889 1.431 0.822 1.000 0.800 CA 1.113 6 residues pruned to eliminate duplicates Z: 15 20.153 1.912 0.580 0.914 0.929 0.786 CA 1.358 15 residues pruned to eliminate duplicates Z: 12 11.026 1.992 0.600 0.485 0.818 0.455 CA 1.294 12 residues pruned to eliminate duplicates Z: 11 8.335 1.866 0.490 0.441 0.800 0.600 CB 1.259 11 residues pruned to eliminate duplicates Z: 28 42.203 2.214 0.846 0.655 1.000 0.704 CB 1.721 4 residues pruned to eliminate duplicates Z: 16 21.319 2.060 0.422 0.916 0.933 0.800 CB 1.422 16 residues pruned to eliminate duplicates Z: 17 21.346 1.958 0.454 0.887 1.000 0.938 CB 1.352 17 residues pruned to eliminate duplicates Z: 12 12.177 2.034 0.618 0.496 0.727 0.636 CB 1.541 12 residues pruned to eliminate duplicates Z: 104 61.926 2.327 0.783 0.495 0.922 0.670 CB 1.603 104 residues pruned to eliminate duplicates Z: 8 5.040 1.718 0.649 0.404 0.714 0.571 CA 1.041 Z: 6 5.197 1.979 0.021 0.379 0.800 0.600 N 1.637 Z: 49 40.298 2.277 0.780 0.486 0.896 0.625 CB 1.625 49 residues pruned to eliminate duplicates Z: 28 33.984 2.114 0.781 0.630 1.000 0.778 CA 1.537 28 residues pruned to eliminate duplicates Z: 117 90.888 2.436 1.027 0.549 0.931 0.569 CB 1.750 117 residues pruned to eliminate duplicates Z: 20 30.168 2.099 0.778 0.863 0.947 0.737 CA 1.436 20 residues pruned to eliminate duplicates Z: 36 24.847 1.813 0.601 0.625 1.000 0.743 CB 1.286 36 residues pruned to eliminate duplicates Z: 49 48.446 2.397 0.777 0.573 0.896 0.667 CB 1.708 49 residues pruned to eliminate duplicates Z: 26 36.378 2.175 0.876 0.641 0.960 0.480 CB 1.628 26 residues pruned to eliminate duplicates Z: 53 41.233 2.237 0.807 0.460 0.885 0.635 CB 1.665 53 residues pruned to eliminate duplicates Z: 15 21.074 1.922 0.633 0.755 1.000 0.500 CB 1.429 15 residues pruned to eliminate duplicates Z: 16 24.601 2.030 0.596 0.905 1.000 0.733 CB 1.396 16 residues pruned to eliminate duplicates Z: 16 21.380 2.021 0.593 0.872 0.933 0.800 CB 1.339 16 residues pruned to eliminate duplicates Z: 6 3.868 1.676 0.239 0.352 0.800 0.400 CB 1.222 Z: 6 4.506 1.731 0.516 0.705 0.800 0.600 CA 0.797 6 residues pruned to eliminate duplicates Z: 14 18.396 1.865 0.410 0.916 1.000 0.923 CB 1.369 14 residues pruned to eliminate duplicates Z: 52 51.659 2.196 0.873 0.608 0.961 0.725 CB 1.652 84 residues pruned to eliminate duplicates Z: 17 35.776 2.332 0.681 0.899 0.938 0.812 CA 1.739 17 residues pruned to eliminate duplicates Z: 23 18.529 1.907 0.527 0.583 0.955 0.727 CB 1.312 23 residues pruned to eliminate duplicates Z: 40 28.116 2.100 0.647 0.622 0.897 0.667 CB 1.293 52 residues pruned to eliminate duplicates Z: 8 4.613 1.444 0.332 0.564 1.000 0.714 CB 0.852 Z: 27 34.310 2.198 0.678 0.638 0.962 0.692 CA 1.667 28 residues pruned to eliminate duplicates 6 0.858 1.340 -0.077 0.274 0.400 0.200 CA 1.001 ? Z: 15 11.106 1.676 0.599 0.490 0.857 0.643 CA 1.305 Z: 9 10.788 1.933 0.334 0.768 0.750 0.500 CA 1.556 9 residues pruned to eliminate duplicates Z: 6 6.138 1.951 -0.300 0.767 1.000 0.800 CB 1.587 6 residues pruned to eliminate duplicates Z: 24 26.639 2.094 0.614 0.642 0.913 0.609 CB 1.576 24 residues pruned to eliminate duplicates Z: 16 11.239 2.046 0.744 0.295 0.867 0.400 CB 1.181 16 residues pruned to eliminate duplicates Z: 13 21.784 2.112 0.661 0.730 0.917 0.583 CB 1.590 13 residues pruned to eliminate duplicates Z: 40 30.131 1.989 0.729 0.556 0.897 0.667 CB 1.481 40 residues pruned to eliminate duplicates Z: 13 24.624 2.260 0.579 0.915 1.000 0.500 CB 1.408 13 residues pruned to eliminate duplicates Z: 49 26.927 2.053 0.562 0.523 0.917 0.688 CB 1.293 49 residues pruned to eliminate duplicates Z: 24 40.756 2.309 1.102 0.664 0.913 0.522 CB 1.647 30 residues pruned to eliminate duplicates Z: 28 13.207 1.898 0.379 0.467 0.815 0.444 CB 1.232 28 residues pruned to eliminate duplicates Z: 16 15.788 1.815 1.096 0.424 1.000 0.667 CB 1.159 16 residues pruned to eliminate duplicates Z: 53 41.825 2.289 0.784 0.450 0.942 0.712 CB 1.587 53 residues pruned to eliminate duplicates Z: 16 25.119 1.839 0.811 0.926 1.000 0.867 CB 1.365 16 residues pruned to eliminate duplicates Z: 7 9.535 1.615 1.146 0.650 1.000 0.667 CB 0.977 Z: 11 27.931 2.176 1.122 0.675 1.000 0.900 CA 1.628 12 residues pruned to eliminate duplicates Z: 15 21.162 2.243 0.821 0.639 0.786 0.286 CB 1.547 15 residues pruned to eliminate duplicates Z: 16 16.052 1.820 0.465 0.825 0.933 0.800 CB 1.257 16 residues pruned to eliminate duplicates Z: 22 33.129 2.384 1.155 0.403 0.905 0.619 CB 1.722 22 residues pruned to eliminate duplicates Z: 10 9.225 1.766 0.699 0.487 0.778 0.667 CB 1.334 16 residues pruned to eliminate duplicates Z: 29 42.334 2.441 0.798 0.594 0.929 0.750 CB 1.794 Z: 17 20.804 2.190 0.697 0.466 0.938 0.750 CB 1.546 17 residues pruned to eliminate duplicates Z: 49 37.175 2.195 0.675 0.474 0.917 0.688 CB 1.635 49 residues pruned to eliminate duplicates Z: 36 37.553 2.027 0.794 0.578 0.971 0.629 CB 1.667 36 residues pruned to eliminate duplicates Z: 8 10.431 1.964 0.333 0.735 1.000 0.714 CB 1.219 Z: 10 22.606 1.895 1.071 0.818 1.000 0.556 CA 1.457 Z: 14 20.299 2.174 0.442 0.893 0.846 0.846 CB 1.524 14 residues pruned to eliminate duplicates Z: 24 32.587 2.365 0.933 0.590 0.826 0.609 CB 1.650 24 residues pruned to eliminate duplicates Z: 10 25.851 2.505 0.708 0.764 1.000 0.889 CB 1.593 10 residues pruned to eliminate duplicates Z: 12 19.884 2.150 0.682 0.799 0.909 0.727 CB 1.404 12 residues pruned to eliminate duplicates Z: 11 3.915 1.555 0.547 0.198 0.800 0.400 CB 0.922 8 residues pruned to eliminate duplicates Z: 14 25.387 1.913 0.871 0.922 1.000 0.846 CB 1.383 14 residues pruned to eliminate duplicates Z: 23 18.515 1.866 0.733 0.529 0.864 0.591 CA 1.373 23 residues pruned to eliminate duplicates Z: 56 31.942 2.080 0.571 0.516 0.964 0.745 CB 1.346 56 residues pruned to eliminate duplicates Z: 6 2.069 1.409 0.223 0.293 1.000 0.400 CB 0.678 Z: 9 9.392 1.681 0.478 0.793 1.000 0.875 CA 1.034 10 residues pruned to eliminate duplicates Z: 52 45.591 2.356 0.813 0.468 0.922 0.588 CB 1.675 52 residues pruned to eliminate duplicates Z: 12 6.960 1.781 0.265 0.392 0.818 0.545 CB 1.276 12 residues pruned to eliminate duplicates Z: 15 22.943 2.011 0.894 0.600 0.929 0.786 CB 1.576 15 residues pruned to eliminate duplicates Z: 16 22.865 2.050 0.882 0.914 0.867 0.600 CB 1.249 16 residues pruned to eliminate duplicates Z: 51 38.088 2.301 0.787 0.453 0.840 0.540 CB 1.636 51 residues pruned to eliminate duplicates Z: 39 28.859 1.945 0.848 0.510 0.895 0.605 CB 1.442 39 residues pruned to eliminate duplicates Z: 15 17.532 1.966 0.763 0.577 0.929 0.786 CB 1.352 15 residues pruned to eliminate duplicates Z: 7 4.499 1.832 0.111 0.328 1.000 0.667 CB 1.090 7 residues pruned to eliminate duplicates Z: 8 6.926 1.864 0.264 0.615 0.857 0.571 CB 1.163 Z: 56 32.425 2.047 0.752 0.475 0.873 0.582 CB 1.433 53 residues pruned to eliminate duplicates Z: 53 29.852 2.043 0.562 0.525 0.962 0.692 CB 1.316 53 residues pruned to eliminate duplicates Z: 67 50.245 2.282 0.826 0.523 0.955 0.621 CB 1.520 67 residues pruned to eliminate duplicates Z: 13 9.946 1.943 0.400 0.425 0.917 0.750 CB 1.245 13 residues pruned to eliminate duplicates Z: 10 15.913 1.831 0.904 0.856 0.889 0.444 CB 1.262 10 residues pruned to eliminate duplicates Z: 6 9.070 1.724 0.848 0.721 0.800 0.400 CA 1.304 6 residues pruned to eliminate duplicates Z: 28 24.274 1.983 0.784 0.604 0.889 0.593 CB 1.346 28 residues pruned to eliminate duplicates Z: 87 61.593 2.163 0.897 0.600 0.942 0.709 CB 1.562 87 residues pruned to eliminate duplicates Z: 21 19.681 1.966 0.539 0.602 0.950 0.750 CA 1.390 22 residues pruned to eliminate duplicates Z: 11 7.036 1.758 0.345 0.434 0.900 0.600 CB 1.120 11 residues pruned to eliminate duplicates Z: 6 2.915 1.483 0.466 0.295 1.000 0.600 CB 0.754 Z: 72 64.404 2.428 0.899 0.514 0.915 0.662 CB 1.785 72 residues pruned to eliminate duplicates 8 1.736 1.460 0.351 0.378 0.571 0.571 N 0.663 ? Z: 11 12.563 1.932 0.695 0.571 0.800 0.500 CB 1.415 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 14.871 2.070 0.410 0.530 0.875 0.500 CB 1.413 17 residues pruned to eliminate duplicates Z: 17 18.693 2.111 0.743 0.483 0.875 0.562 CB 1.477 18 residues pruned to eliminate duplicates Z: 10 29.092 2.264 0.715 0.873 1.000 0.889 CA 1.819 12 residues pruned to eliminate duplicates Z: 11 23.594 2.108 0.780 0.835 0.900 0.900 CA 1.655 11 residues pruned to eliminate duplicates Z: 17 16.687 2.153 0.582 0.519 0.812 0.562 CB 1.480 17 residues pruned to eliminate duplicates Z: 17 17.590 2.164 0.598 0.543 0.812 0.625 CB 1.499 15 residues pruned to eliminate duplicates Z: 10 17.710 2.084 0.760 0.770 0.889 0.222 CB 1.425 13 residues pruned to eliminate duplicates Z: 10 21.674 2.127 0.902 0.819 0.889 0.222 CB 1.523 10 residues pruned to eliminate duplicates Z: 17 19.828 2.174 0.584 0.546 0.938 0.500 CB 1.468 17 residues pruned to eliminate duplicates Z: 14 19.035 2.257 0.838 0.586 0.769 0.308 CB 1.524 14 residues pruned to eliminate duplicates Z: 15 21.284 2.174 0.745 0.549 0.929 0.286 CB 1.539 15 residues pruned to eliminate duplicates Z: 27 28.995 2.360 0.574 0.552 0.885 0.538 CA 1.645 27 residues pruned to eliminate duplicates Z: 15 35.115 2.486 0.720 0.716 1.000 0.786 CA 1.804 15 residues pruned to eliminate duplicates Z: 16 33.074 2.507 0.649 0.795 1.000 0.800 CA 1.596 16 residues pruned to eliminate duplicates Z: 32 36.176 2.280 0.744 0.536 0.935 0.710 CA 1.686 32 residues pruned to eliminate duplicates Z: 29 41.184 2.406 0.674 0.575 1.000 0.643 CA 1.799 29 residues pruned to eliminate duplicates Z: 10 31.434 2.545 0.851 0.901 0.889 0.778 CA 1.787 10 residues pruned to eliminate duplicates Z: 29 43.313 2.467 0.806 0.588 0.964 0.607 CA 1.750 29 residues pruned to eliminate duplicates Z: 17 44.606 2.365 0.884 0.894 1.000 0.750 CA 1.795 17 residues pruned to eliminate duplicates Z: 29 46.373 2.468 0.926 0.587 0.964 0.679 CB 1.759 29 residues pruned to eliminate duplicates Z: 14 46.169 2.654 1.036 0.926 0.923 0.692 CA 1.800 14 residues pruned to eliminate duplicates Z: 29 59.190 2.515 1.214 0.626 0.964 0.643 CA 1.850 29 residues pruned to eliminate duplicates Z: 15 53.488 2.455 1.419 0.914 0.929 0.429 CA 1.833 15 residues pruned to eliminate duplicates Z: 30 49.230 2.414 1.048 0.580 0.966 0.586 CB 1.773 30 residues pruned to eliminate duplicates Z: 30 47.433 2.466 1.014 0.598 0.931 0.655 CB 1.735 30 residues pruned to eliminate duplicates Z: 31 45.564 2.387 1.070 0.603 0.900 0.300 CB 1.696 31 residues pruned to eliminate duplicates Z: 24 38.983 2.399 1.118 0.547 0.870 0.478 CB 1.757 24 residues pruned to eliminate duplicates Z: 30 52.723 2.444 1.027 0.593 1.000 0.655 CB 1.808 30 residues pruned to eliminate duplicates Z: 6 9.928 2.272 0.974 0.421 0.800 0.400 CB 1.343 6 residues pruned to eliminate duplicates Z: 30 46.246 2.443 1.046 0.587 0.897 0.586 CB 1.763 30 residues pruned to eliminate duplicates Z: 29 52.672 2.471 1.180 0.607 0.929 0.393 CB 1.798 29 residues pruned to eliminate duplicates Z: 6 8.404 1.839 1.064 0.414 1.000 0.800 CA 1.083 6 residues pruned to eliminate duplicates Z: 31 53.364 2.392 1.082 0.597 0.967 0.533 CB 1.844 31 residues pruned to eliminate duplicates Z: 30 40.885 2.436 0.964 0.584 0.862 0.586 CB 1.698 30 residues pruned to eliminate duplicates Z: 41 46.457 2.344 0.860 0.605 0.925 0.500 CB 1.649 56 residues pruned to eliminate duplicates Z: 8 3.889 1.770 0.319 0.355 0.714 0.000 CA 1.031 8 residues pruned to eliminate duplicates Z: 33 36.093 2.333 0.878 0.550 0.844 0.375 CB 1.643 33 residues pruned to eliminate duplicates Z: 15 10.372 1.910 0.213 0.632 1.000 0.929 CA 1.057 15 residues pruned to eliminate duplicates Z: 24 21.107 1.955 0.631 0.671 0.870 0.826 CA 1.356 24 residues pruned to eliminate duplicates Z: 22 24.602 2.013 0.531 0.746 0.952 0.905 CA 1.468 22 residues pruned to eliminate duplicates Z: 20 14.686 1.997 0.582 0.542 0.895 0.684 CB 1.144 20 residues pruned to eliminate duplicates Z: 21 25.997 1.997 0.558 0.736 1.000 0.900 CA 1.511 21 residues pruned to eliminate duplicates Z: 107 65.523 2.330 0.807 0.486 0.943 0.651 CB 1.625 107 residues pruned to eliminate duplicates Z: 53 42.227 2.155 0.848 0.453 0.962 0.673 CA 1.604 53 residues pruned to eliminate duplicates Z: 119 64.140 2.288 0.773 0.492 0.915 0.568 CB 1.603 119 residues pruned to eliminate duplicates Z: 24 31.808 2.025 0.841 0.706 1.000 0.826 CB 1.475 24 residues pruned to eliminate duplicates Z: 107 62.510 2.250 0.892 0.458 0.896 0.642 CB 1.661 107 residues pruned to eliminate duplicates Z: 22 32.754 2.029 0.950 0.729 0.952 0.667 CA 1.543 22 residues pruned to eliminate duplicates Z: 28 27.247 1.950 0.886 0.621 0.926 0.704 CB 1.374 28 residues pruned to eliminate duplicates Z: 22 26.933 1.960 0.916 0.759 0.857 0.571 CB 1.450 22 residues pruned to eliminate duplicates Z: 23 28.496 1.957 0.969 0.718 0.909 0.591 CB 1.424 23 residues pruned to eliminate duplicates Z: 21 33.712 2.010 1.082 0.777 1.000 0.550 CB 1.411 21 residues pruned to eliminate duplicates Z: 24 26.775 1.982 0.836 0.613 0.957 0.565 CB 1.442 24 residues pruned to eliminate duplicates Z: 69 56.003 2.247 0.971 0.517 0.926 0.721 CB 1.627 69 residues pruned to eliminate duplicates Z: 97 60.060 2.292 0.797 0.535 0.917 0.615 CB 1.569 97 residues pruned to eliminate duplicates Z: 63 42.460 2.184 0.871 0.462 0.919 0.613 CB 1.492 63 residues pruned to eliminate duplicates Z: 57 47.468 2.286 1.031 0.352 0.964 0.554 CB 1.663 57 residues pruned to eliminate duplicates Z: 136 71.196 2.290 0.873 0.477 0.911 0.622 CB 1.605 136 residues pruned to eliminate duplicates Z: 100 67.990 2.310 0.813 0.545 0.960 0.586 CB 1.626 100 residues pruned to eliminate duplicates Z: 114 74.984 2.387 0.879 0.488 0.947 0.690 CB 1.681 114 residues pruned to eliminate duplicates Z: 114 74.744 2.401 0.925 0.477 0.903 0.593 CB 1.724 114 residues pruned to eliminate duplicates Z: 30 28.158 2.370 0.993 0.234 0.897 0.586 CB 1.681 30 residues pruned to eliminate duplicates Z: 54 43.939 2.146 1.116 0.456 0.962 0.623 CB 1.445 54 residues pruned to eliminate duplicates Z: 69 43.996 2.167 0.892 0.460 0.926 0.515 CB 1.463 69 residues pruned to eliminate duplicates Z: 133 75.527 2.325 0.949 0.503 0.902 0.568 CB 1.605 133 residues pruned to eliminate duplicates Z: 31 27.346 2.266 1.021 0.240 0.933 0.567 CB 1.579 31 residues pruned to eliminate duplicates Z: 114 69.145 2.397 0.811 0.469 0.894 0.593 CB 1.731 114 residues pruned to eliminate duplicates Z: 114 68.075 2.377 0.839 0.470 0.885 0.540 CB 1.706 114 residues pruned to eliminate duplicates Z: 27 32.494 2.243 1.061 0.308 0.962 0.538 CB 1.774 27 residues pruned to eliminate duplicates Z: 75 53.627 2.361 0.869 0.432 0.919 0.608 CB 1.650 75 residues pruned to eliminate duplicates Z: 36 25.464 2.219 0.869 0.266 0.886 0.543 CB 1.530 36 residues pruned to eliminate duplicates Z: 17 17.588 2.306 0.919 0.244 0.812 0.625 CA 1.644 17 residues pruned to eliminate duplicates Z: 115 75.351 2.386 0.925 0.471 0.912 0.632 CB 1.734 115 residues pruned to eliminate duplicates Z: 31 24.493 2.162 0.967 0.243 0.900 0.633 CB 1.572 31 residues pruned to eliminate duplicates Z: 87 57.652 2.284 0.862 0.527 0.907 0.651 CB 1.569 87 residues pruned to eliminate duplicates Z: 19 20.133 2.252 0.725 0.353 0.944 0.500 CB 1.517 19 residues pruned to eliminate duplicates Z: 29 47.799 2.422 1.107 0.581 0.929 0.714 CB 1.763 29 residues pruned to eliminate duplicates Z: 35 25.439 2.032 1.136 0.253 0.912 0.559 CB 1.464 35 residues pruned to eliminate duplicates Z: 112 71.992 2.402 0.925 0.469 0.883 0.595 CB 1.727 112 residues pruned to eliminate duplicates Z: 74 49.793 2.330 0.860 0.417 0.877 0.616 CB 1.674 74 residues pruned to eliminate duplicates Z: 114 59.268 2.264 0.802 0.470 0.903 0.540 CB 1.562 114 residues pruned to eliminate duplicates Z: 16 25.196 2.385 0.768 0.410 1.000 0.667 CB 1.695 16 residues pruned to eliminate duplicates Z: 60 51.713 2.437 0.810 0.529 0.898 0.644 CB 1.652 60 residues pruned to eliminate duplicates Z: 93 64.501 2.360 0.819 0.534 0.902 0.565 CB 1.679 93 residues pruned to eliminate duplicates Z: 61 50.000 2.401 0.819 0.514 0.917 0.550 CB 1.590 61 residues pruned to eliminate duplicates Z: 57 55.363 2.455 0.876 0.523 0.929 0.589 CB 1.691 57 residues pruned to eliminate duplicates Z: 52 36.450 2.280 0.663 0.540 0.863 0.529 CB 1.501 52 residues pruned to eliminate duplicates Z: 90 74.320 2.430 0.868 0.562 0.921 0.573 CB 1.773 90 residues pruned to eliminate duplicates Z: 56 48.919 2.411 0.798 0.534 0.855 0.564 CB 1.723 56 residues pruned to eliminate duplicates Z: 50 41.322 2.434 0.700 0.527 0.878 0.633 CB 1.584 50 residues pruned to eliminate duplicates Z: 84 64.639 2.423 0.865 0.515 0.904 0.554 CB 1.712 84 residues pruned to eliminate duplicates Z: 117 77.001 2.407 0.908 0.512 0.871 0.517 CB 1.768 117 residues pruned to eliminate duplicates Z: 88 68.868 2.431 0.842 0.540 0.908 0.586 CB 1.745 88 residues pruned to eliminate duplicates Z: 95 56.938 2.282 0.881 0.476 0.894 0.628 CB 1.569 95 residues pruned to eliminate duplicates Z: 45 50.899 2.519 0.949 0.556 0.886 0.636 CB 1.670 45 residues pruned to eliminate duplicates Z: 90 67.653 2.428 0.926 0.526 0.899 0.607 CB 1.663 90 residues pruned to eliminate duplicates Z: 89 62.874 2.425 0.808 0.520 0.886 0.602 CB 1.691 89 residues pruned to eliminate duplicates Z: 49 46.661 2.474 0.851 0.550 0.854 0.604 CB 1.640 49 residues pruned to eliminate duplicates Z: 89 72.974 2.424 0.936 0.529 0.932 0.591 CB 1.730 89 residues pruned to eliminate duplicates Z: 39 46.422 2.464 0.805 0.629 0.868 0.605 CB 1.726 39 residues pruned to eliminate duplicates Z: 87 71.362 2.415 0.897 0.558 0.953 0.593 CB 1.664 86 residues pruned to eliminate duplicates Z: 18 46.301 2.351 1.159 0.811 0.941 0.647 CB 1.793 18 residues pruned to eliminate duplicates Z: 114 76.640 2.390 1.013 0.482 0.894 0.584 CB 1.706 115 residues pruned to eliminate duplicates Z: 6 4.969 1.572 0.747 0.372 0.800 0.600 O 1.160 6 residues pruned to eliminate duplicates Z: 64 55.884 2.389 0.983 0.471 0.905 0.571 CB 1.692 64 residues pruned to eliminate duplicates Z: 82 73.446 2.446 0.928 0.550 0.951 0.568 CB 1.734 82 residues pruned to eliminate duplicates Z: 95 74.040 2.399 0.994 0.542 0.915 0.585 CB 1.675 95 residues pruned to eliminate duplicates Z: 7 10.637 1.877 0.594 0.434 1.000 0.500 CA 1.555 7 residues pruned to eliminate duplicates Z: 30 26.270 2.441 0.751 0.345 0.862 0.586 CB 1.567 30 residues pruned to eliminate duplicates Z: 59 53.798 2.419 1.040 0.496 0.914 0.552 CB 1.573 59 residues pruned to eliminate duplicates Z: 90 69.250 2.420 0.927 0.526 0.899 0.562 CB 1.707 90 residues pruned to eliminate duplicates Z: 91 71.018 2.394 0.960 0.546 0.889 0.556 CB 1.716 91 residues pruned to eliminate duplicates Z: 86 75.057 2.448 0.909 0.553 0.929 0.635 CB 1.780 86 residues pruned to eliminate duplicates Z: 32 23.745 2.399 0.815 0.263 0.839 0.516 CB 1.530 32 residues pruned to eliminate duplicates Z: 64 59.626 2.430 0.909 0.473 0.921 0.619 CB 1.808 64 residues pruned to eliminate duplicates Z: 34 27.493 2.333 0.962 0.302 0.818 0.606 CB 1.593 34 residues pruned to eliminate duplicates Z: 29 21.578 2.372 0.531 0.258 0.929 0.643 CB 1.595 29 residues pruned to eliminate duplicates Z: 91 76.359 2.425 1.049 0.536 0.922 0.544 CB 1.696 91 residues pruned to eliminate duplicates Z: 89 73.408 2.414 0.911 0.549 0.920 0.682 CB 1.756 89 residues pruned to eliminate duplicates Z: 56 53.787 2.453 1.001 0.504 0.909 0.636 CB 1.620 56 residues pruned to eliminate duplicates Z: 46 48.482 2.483 0.920 0.524 0.889 0.600 CB 1.665 46 residues pruned to eliminate duplicates Z: 59 44.160 2.405 0.780 0.493 0.828 0.638 CB 1.648 59 residues pruned to eliminate duplicates Z: 85 68.585 2.438 0.878 0.556 0.905 0.631 CB 1.711 85 residues pruned to eliminate duplicates Z: 81 58.384 2.406 0.824 0.539 0.850 0.575 CB 1.684 81 residues pruned to eliminate duplicates Z: 63 61.042 2.413 0.985 0.491 0.935 0.645 CB 1.745 63 residues pruned to eliminate duplicates Z: 66 42.438 2.276 0.768 0.511 0.831 0.508 CB 1.557 66 residues pruned to eliminate duplicates Z: 63 52.645 2.273 0.865 0.560 0.935 0.565 CB 1.591 63 residues pruned to eliminate duplicates Z: 80 61.142 2.375 0.853 0.498 0.924 0.633 CB 1.694 92 residues pruned to eliminate duplicates Z: 6 5.277 1.588 0.924 0.376 0.800 0.600 N 1.102 6 residues pruned to eliminate duplicates Z: 59 49.473 2.411 0.976 0.487 0.879 0.552 CB 1.571 59 residues pruned to eliminate duplicates Z: 34 32.284 2.388 0.922 0.371 0.909 0.455 CB 1.546 34 residues pruned to eliminate duplicates Z: 89 82.255 2.449 1.083 0.537 0.966 0.580 CB 1.716 89 residues pruned to eliminate duplicates Z: 56 60.567 2.290 0.975 0.582 0.945 0.655 CB 1.765 56 residues pruned to eliminate duplicates Z: 84 66.208 2.437 0.876 0.512 0.916 0.602 CB 1.716 84 residues pruned to eliminate duplicates Z: 33 48.437 2.291 1.018 0.561 0.969 0.500 CA 1.802 33 residues pruned to eliminate duplicates Z: 31 58.061 2.366 1.345 0.586 0.967 0.633 CA 1.821 31 residues pruned to eliminate duplicates Z: 102 76.502 2.410 0.926 0.534 0.921 0.614 CB 1.723 102 residues pruned to eliminate duplicates Z: 31 52.999 2.379 1.104 0.596 0.967 0.633 CA 1.824 31 residues pruned to eliminate duplicates Z: 64 57.652 2.301 0.954 0.530 0.921 0.571 CB 1.704 64 residues pruned to eliminate duplicates Z: 134 83.103 2.334 0.975 0.528 0.925 0.624 CB 1.643 134 residues pruned to eliminate duplicates Z: 32 45.549 2.309 1.032 0.560 0.935 0.484 CA 1.758 32 residues pruned to eliminate duplicates Z: 40 46.897 2.385 0.866 0.518 0.949 0.667 CB 1.747 40 residues pruned to eliminate duplicates Z: 44 42.147 2.326 0.886 0.489 0.907 0.605 CB 1.634 44 residues pruned to eliminate duplicates Z: 90 70.249 2.431 0.927 0.508 0.899 0.607 CB 1.754 90 residues pruned to eliminate duplicates Z: 62 65.581 2.442 1.010 0.489 0.967 0.557 CB 1.788 62 residues pruned to eliminate duplicates Z: 90 73.910 2.419 0.989 0.519 0.933 0.584 CB 1.712 90 residues pruned to eliminate duplicates Z: 61 55.914 2.399 0.953 0.457 0.900 0.550 CB 1.788 61 residues pruned to eliminate duplicates Z: 44 31.723 2.236 0.785 0.406 0.907 0.535 CB 1.474 44 residues pruned to eliminate duplicates Z: 90 70.830 2.438 0.900 0.524 0.921 0.607 CB 1.718 90 residues pruned to eliminate duplicates Z: 31 51.227 2.381 1.134 0.573 0.967 0.600 CA 1.774 31 residues pruned to eliminate duplicates Z: 138 72.973 2.276 0.895 0.497 0.927 0.569 CB 1.564 138 residues pruned to eliminate duplicates Z: 46 46.422 2.336 1.004 0.496 0.911 0.667 CB 1.629 46 residues pruned to eliminate duplicates Z: 31 47.963 2.387 0.975 0.609 0.967 0.700 CA 1.734 31 residues pruned to eliminate duplicates Z: 90 69.757 2.401 1.020 0.514 0.899 0.573 CB 1.673 90 residues pruned to eliminate duplicates Z: 89 73.180 2.451 1.025 0.518 0.909 0.614 CB 1.699 89 residues pruned to eliminate duplicates Z: 85 76.249 2.440 1.005 0.528 0.952 0.571 CB 1.737 85 residues pruned to eliminate duplicates Z: 103 72.330 2.360 0.912 0.518 0.912 0.578 CB 1.710 103 residues pruned to eliminate duplicates Z: 31 51.229 2.406 1.023 0.595 0.933 0.633 CA 1.880 31 residues pruned to eliminate duplicates Z: 32 54.893 2.353 1.196 0.574 1.000 0.645 CB 1.776 32 residues pruned to eliminate duplicates Z: 32 49.550 2.306 1.093 0.595 0.935 0.742 CB 1.801 32 residues pruned to eliminate duplicates Z: 31 53.432 2.374 1.253 0.549 0.933 0.600 CA 1.862 31 residues pruned to eliminate duplicates Z: 49 51.696 2.322 1.003 0.528 0.875 0.562 CA 1.784 49 residues pruned to eliminate duplicates Z: 48 59.548 2.348 0.966 0.591 0.957 0.660 CA 1.801 48 residues pruned to eliminate duplicates Z: 22 26.782 2.150 0.656 0.569 0.952 0.810 CA 1.613 22 residues pruned to eliminate duplicates Z: 19 25.098 2.114 0.594 0.664 0.944 0.722 CA 1.597 19 residues pruned to eliminate duplicates Z: 18 36.237 2.227 0.953 0.692 1.000 0.824 CA 1.695 18 residues pruned to eliminate duplicates Z: 27 24.091 2.020 0.648 0.602 0.885 0.615 CB 1.456 27 residues pruned to eliminate duplicates Z: 20 30.152 2.119 0.769 0.670 0.947 0.737 CA 1.665 20 residues pruned to eliminate duplicates Z: 15 14.416 1.920 0.939 0.552 0.786 0.714 CB 1.253 15 residues pruned to eliminate duplicates Z: 19 39.732 2.222 0.948 0.742 1.000 0.889 CA 1.742 19 residues pruned to eliminate duplicates Z: 8 7.495 1.751 0.698 0.313 0.857 0.286 CA 1.368 8 residues pruned to eliminate duplicates Z: 20 36.440 2.175 0.971 0.662 1.000 0.789 CA 1.678 20 residues pruned to eliminate duplicates Z: 10 27.015 2.247 1.096 0.700 1.000 0.778 CA 1.594 10 residues pruned to eliminate duplicates Z: 12 26.295 2.131 1.041 0.705 0.909 0.818 CA 1.663 12 residues pruned to eliminate duplicates Z: 19 40.134 2.202 1.102 0.685 1.000 0.833 CA 1.724 19 residues pruned to eliminate duplicates Z: 20 36.589 2.138 0.942 0.649 1.000 0.737 CA 1.759 20 residues pruned to eliminate duplicates Z: 28 29.554 1.959 0.915 0.545 0.963 0.630 CB 1.508 28 residues pruned to eliminate duplicates Z: 12 24.780 2.134 1.022 0.604 1.000 0.727 CB 1.568 12 residues pruned to eliminate duplicates Z: 29 40.553 2.215 0.972 0.639 0.893 0.786 CB 1.726 29 residues pruned to eliminate duplicates Z: 30 33.459 2.087 0.754 0.597 1.000 0.655 CB 1.547 28 residues pruned to eliminate duplicates Z: 6 5.900 1.726 0.111 0.435 1.000 0.200 O 1.471 6 residues pruned to eliminate duplicates Z: 29 29.917 2.151 0.696 0.618 0.893 0.607 CB 1.552 29 residues pruned to eliminate duplicates Z: 32 29.413 2.072 0.765 0.587 0.871 0.645 CB 1.527 33 residues pruned to eliminate duplicates Z: 17 28.171 2.175 0.663 0.794 0.938 0.812 CA 1.605 17 residues pruned to eliminate duplicates Z: 27 35.633 2.173 0.787 0.646 0.962 0.654 CA 1.633 28 residues pruned to eliminate duplicates Z: 14 28.510 2.227 0.682 0.899 1.000 0.615 CA 1.509 14 residues pruned to eliminate duplicates Z: 28 29.854 2.125 0.748 0.631 0.926 0.556 CB 1.476 28 residues pruned to eliminate duplicates Z: 32 26.521 2.028 0.582 0.528 0.968 0.484 CB 1.493 32 residues pruned to eliminate duplicates Z: 31 24.759 2.044 0.669 0.538 0.933 0.500 CB 1.367 31 residues pruned to eliminate duplicates Z: 29 33.101 2.139 0.734 0.623 0.964 0.571 CB 1.557 29 residues pruned to eliminate duplicates Z: 29 37.280 2.127 0.865 0.632 0.964 0.571 CB 1.627 29 residues pruned to eliminate duplicates Z: 42 35.492 2.095 0.634 0.624 0.951 0.610 CB 1.515 42 residues pruned to eliminate duplicates Z: 31 29.743 2.029 0.908 0.566 0.900 0.433 CB 1.463 31 residues pruned to eliminate duplicates Z: 30 30.834 2.115 0.836 0.598 0.897 0.517 CB 1.498 30 residues pruned to eliminate duplicates Z: 29 28.368 2.110 0.715 0.599 0.857 0.429 CB 1.573 29 residues pruned to eliminate duplicates Z: 28 28.920 2.143 0.831 0.576 0.852 0.556 CB 1.547 28 residues pruned to eliminate duplicates Z: 29 31.594 2.111 0.710 0.596 0.929 0.429 CA 1.626 29 residues pruned to eliminate duplicates Z: 26 31.572 2.133 0.715 0.627 1.000 0.600 CA 1.533 26 residues pruned to eliminate duplicates Z: 29 28.906 2.151 0.813 0.629 0.821 0.464 CB 1.511 29 residues pruned to eliminate duplicates Z: 28 37.786 2.157 0.880 0.657 0.963 0.630 CB 1.611 27 residues pruned to eliminate duplicates Z: 7 3.647 1.456 0.321 0.282 0.833 0.333 CB 1.189 Z: 12 17.580 2.095 0.547 0.644 0.909 0.455 CB 1.572 14 residues pruned to eliminate duplicates Z: 10 16.751 2.101 0.555 0.784 0.889 0.778 CA 1.497 10 residues pruned to eliminate duplicates Z: 14 13.671 1.971 0.550 0.542 0.846 0.462 CB 1.408 21 residues pruned to eliminate duplicates Z: 12 20.786 2.116 0.686 0.602 1.000 0.727 CB 1.595 12 residues pruned to eliminate duplicates Z: 9 22.570 2.156 0.684 0.868 1.000 0.500 CB 1.608 9 residues pruned to eliminate duplicates Z: 15 17.811 2.001 0.726 0.516 0.857 0.357 CB 1.583 15 residues pruned to eliminate duplicates Z: 14 16.252 2.027 0.633 0.496 0.846 0.538 CB 1.616 14 residues pruned to eliminate duplicates Z: 19 15.811 1.876 0.506 0.563 0.889 0.278 CB 1.396 19 residues pruned to eliminate duplicates Z: 17 15.696 1.959 0.551 0.517 0.938 0.500 CB 1.354 13 residues pruned to eliminate duplicates Z: 9 18.941 2.091 0.686 0.822 1.000 0.250 CB 1.438 9 residues pruned to eliminate duplicates Z: 33 21.231 1.974 0.505 0.597 0.906 0.625 CB 1.271 45 residues pruned to eliminate duplicates Z: 33 22.739 1.996 0.503 0.599 0.906 0.594 CB 1.345 33 residues pruned to eliminate duplicates Z: 23 16.477 1.829 0.542 0.568 0.909 0.727 CB 1.283 23 residues pruned to eliminate duplicates Z: 99 33.241 1.997 0.524 0.425 0.898 0.561 CB 1.328 99 residues pruned to eliminate duplicates Z: 31 19.371 1.975 0.253 0.502 1.000 0.567 CB 1.427 31 residues pruned to eliminate duplicates Z: 21 14.561 1.861 0.532 0.517 0.900 0.650 CB 1.248 21 residues pruned to eliminate duplicates Z: 60 33.182 2.038 0.524 0.539 0.881 0.542 CB 1.519 60 residues pruned to eliminate duplicates Z: 28 17.511 1.958 0.427 0.398 0.926 0.556 CB 1.450 28 residues pruned to eliminate duplicates Z: 29 20.123 1.937 0.459 0.525 0.964 0.571 CB 1.361 29 residues pruned to eliminate duplicates Z: 87 38.927 2.011 0.634 0.526 0.942 0.640 CB 1.323 87 residues pruned to eliminate duplicates Z: 41 22.937 1.853 0.635 0.457 0.900 0.675 CB 1.390 41 residues pruned to eliminate duplicates Z: 38 21.874 1.902 0.501 0.475 0.973 0.595 CB 1.328 38 residues pruned to eliminate duplicates Z: 42 25.055 1.962 0.558 0.519 0.878 0.537 CB 1.430 42 residues pruned to eliminate duplicates Z: 39 22.898 1.883 0.641 0.493 0.895 0.579 CB 1.353 39 residues pruned to eliminate duplicates Z: 70 29.937 1.950 0.519 0.496 0.884 0.623 CB 1.382 70 residues pruned to eliminate duplicates Z: 57 26.308 1.913 0.663 0.444 0.893 0.554 CB 1.311 57 residues pruned to eliminate duplicates Z: 52 26.616 1.927 0.703 0.435 0.941 0.608 CB 1.290 52 residues pruned to eliminate duplicates Z: 48 29.063 1.924 0.742 0.502 0.915 0.596 CB 1.380 48 residues pruned to eliminate duplicates Z: 19 22.255 1.958 0.777 0.603 0.944 0.722 CB 1.448 19 residues pruned to eliminate duplicates Z: 91 31.774 1.948 0.541 0.443 0.900 0.644 CB 1.314 91 residues pruned to eliminate duplicates Z: 54 28.304 1.930 0.727 0.467 0.868 0.698 CB 1.390 54 residues pruned to eliminate duplicates Z: 72 33.694 1.966 0.610 0.511 0.915 0.662 CB 1.365 72 residues pruned to eliminate duplicates Z: 53 27.086 1.903 0.648 0.444 0.923 0.635 CB 1.374 53 residues pruned to eliminate duplicates Z: 30 26.136 1.925 0.680 0.591 0.931 0.759 CB 1.478 30 residues pruned to eliminate duplicates Z: 75 32.766 1.948 0.583 0.501 0.892 0.608 CB 1.384 75 residues pruned to eliminate duplicates Z: 66 36.727 1.976 0.722 0.543 0.923 0.569 CB 1.391 66 residues pruned to eliminate duplicates Z: 6 3.974 1.813 0.622 0.414 0.600 0.200 CB 1.103 6 residues pruned to eliminate duplicates Z: 76 26.411 1.971 0.487 0.421 0.880 0.640 CB 1.284 76 residues pruned to eliminate duplicates Z: 11 5.627 1.734 0.182 0.288 0.900 0.300 CB 1.223 11 residues pruned to eliminate duplicates Z: 40 21.328 1.878 0.632 0.453 0.923 0.590 CB 1.268 40 residues pruned to eliminate duplicates Z: 32 15.930 1.834 0.579 0.309 0.935 0.581 CB 1.306 32 residues pruned to eliminate duplicates Z: 81 31.580 2.002 0.579 0.419 0.925 0.575 CB 1.314 81 residues pruned to eliminate duplicates Z: 87 38.615 2.005 0.678 0.518 0.919 0.674 CB 1.324 87 residues pruned to eliminate duplicates Z: 55 25.363 1.880 0.718 0.466 0.907 0.556 CB 1.220 55 residues pruned to eliminate duplicates Z: 36 14.111 1.893 0.492 0.272 0.914 0.600 CB 1.198 36 residues pruned to eliminate duplicates Z: 69 33.309 2.058 0.624 0.438 0.941 0.662 CB 1.370 69 residues pruned to eliminate duplicates Z: 54 23.795 1.936 0.563 0.432 0.906 0.642 CB 1.280 54 residues pruned to eliminate duplicates Z: 68 30.116 2.019 0.620 0.458 0.896 0.597 CB 1.311 68 residues pruned to eliminate duplicates Z: 28 16.882 1.953 0.603 0.290 0.963 0.704 CB 1.364 28 residues pruned to eliminate duplicates Z: 71 32.860 1.956 0.614 0.526 0.929 0.571 CB 1.306 71 residues pruned to eliminate duplicates Z: 66 24.557 1.896 0.494 0.403 0.877 0.631 CB 1.357 66 residues pruned to eliminate duplicates Z: 12 9.264 1.940 0.703 0.253 0.818 0.545 CB 1.372 12 residues pruned to eliminate duplicates Z: 51 32.826 2.104 0.566 0.545 0.960 0.760 CB 1.404 51 residues pruned to eliminate duplicates Z: 48 28.983 2.097 0.509 0.559 0.936 0.745 CB 1.348 48 residues pruned to eliminate duplicates Z: 17 15.576 2.015 0.601 0.369 1.000 0.625 CB 1.389 17 residues pruned to eliminate duplicates Z: 82 25.808 1.921 0.460 0.411 0.926 0.605 CB 1.211 82 residues pruned to eliminate duplicates Z: 57 28.288 2.053 0.573 0.558 0.875 0.679 CB 1.264 57 residues pruned to eliminate duplicates Z: 43 31.240 2.156 0.565 0.600 0.929 0.690 CB 1.399 43 residues pruned to eliminate duplicates Z: 28 25.036 2.007 0.563 0.618 0.963 0.741 CB 1.426 28 residues pruned to eliminate duplicates Z: 25 22.066 2.099 0.470 0.667 0.958 0.750 CB 1.305 25 residues pruned to eliminate duplicates Z: 28 21.551 1.998 0.551 0.613 0.926 0.630 CB 1.299 28 residues pruned to eliminate duplicates Z: 49 30.913 2.063 0.689 0.557 0.917 0.604 CB 1.322 49 residues pruned to eliminate duplicates Z: 28 26.548 2.032 0.682 0.654 0.926 0.630 CB 1.399 28 residues pruned to eliminate duplicates Z: 40 26.150 2.049 0.582 0.598 0.897 0.590 CB 1.311 40 residues pruned to eliminate duplicates Z: 54 34.488 2.083 0.632 0.584 0.906 0.547 CB 1.419 54 residues pruned to eliminate duplicates Z: 16 23.841 2.054 0.438 0.895 1.000 0.800 CA 1.494 16 residues pruned to eliminate duplicates Z: 44 30.948 2.057 0.593 0.617 0.930 0.674 CB 1.387 44 residues pruned to eliminate duplicates Z: 28 25.237 2.015 0.506 0.658 0.963 0.667 CB 1.435 28 residues pruned to eliminate duplicates Z: 38 26.746 2.110 0.527 0.643 0.919 0.622 CB 1.300 38 residues pruned to eliminate duplicates Z: 27 25.343 2.057 0.612 0.649 0.923 0.731 CB 1.413 27 residues pruned to eliminate duplicates Z: 86 35.595 1.992 0.649 0.499 0.894 0.553 CB 1.316 86 residues pruned to eliminate duplicates Z: 26 26.860 2.104 0.608 0.631 1.000 0.600 CB 1.404 26 residues pruned to eliminate duplicates Z: 86 37.118 1.964 0.595 0.532 0.941 0.553 CB 1.323 86 residues pruned to eliminate duplicates Z: 34 23.073 2.026 0.539 0.568 0.939 0.606 CB 1.284 34 residues pruned to eliminate duplicates Z: 28 21.730 2.047 0.576 0.637 0.889 0.556 CB 1.282 28 residues pruned to eliminate duplicates Z: 46 32.988 2.122 0.740 0.566 0.911 0.556 CB 1.371 46 residues pruned to eliminate duplicates Z: 47 27.624 2.060 0.649 0.554 0.870 0.630 CB 1.309 47 residues pruned to eliminate duplicates Z: 93 39.128 1.990 0.664 0.516 0.957 0.663 CB 1.267 93 residues pruned to eliminate duplicates Z: 41 27.913 2.062 0.530 0.589 0.950 0.575 CB 1.351 41 residues pruned to eliminate duplicates Z: 16 26.380 2.226 0.817 0.571 1.000 0.733 CB 1.573 16 residues pruned to eliminate duplicates Z: 43 31.242 2.102 0.716 0.562 0.929 0.595 CB 1.355 56 residues pruned to eliminate duplicates Z: 6 2.778 1.507 0.073 0.352 0.800 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 27 14.672 2.006 0.610 0.335 0.808 0.577 CB 1.322 27 residues pruned to eliminate duplicates Z: 16 24.292 2.265 0.702 0.451 1.000 0.600 CB 1.710 15 residues pruned to eliminate duplicates Z: 9 8.691 1.787 0.684 0.532 1.000 0.750 CA 0.989 9 residues pruned to eliminate duplicates Z: 21 19.016 2.100 0.629 0.410 0.950 0.600 CB 1.438 21 residues pruned to eliminate duplicates Z: 21 17.774 2.095 0.655 0.403 0.900 0.650 CB 1.411 16 residues pruned to eliminate duplicates Z: 7 4.602 1.372 0.668 0.387 0.833 0.833 CA 1.110 7 residues pruned to eliminate duplicates Z: 29 36.749 2.141 0.749 0.601 1.000 0.714 CB 1.684 29 residues pruned to eliminate duplicates Z: 28 40.047 2.171 0.918 0.653 1.000 0.667 CB 1.606 28 residues pruned to eliminate duplicates Z: 14 23.515 2.088 0.741 0.649 1.000 0.538 CA 1.561 14 residues pruned to eliminate duplicates Z: 31 29.155 2.079 0.706 0.566 0.900 0.633 CB 1.564 31 residues pruned to eliminate duplicates Z: 14 18.242 2.009 0.627 0.806 0.923 0.769 CB 1.284 14 residues pruned to eliminate duplicates Z: 32 40.072 2.140 0.870 0.616 0.968 0.613 CB 1.666 32 residues pruned to eliminate duplicates Z: 15 20.231 1.973 0.602 0.806 1.000 0.571 CB 1.310 15 residues pruned to eliminate duplicates Z: 33 32.933 2.070 0.830 0.542 0.938 0.688 CB 1.572 33 residues pruned to eliminate duplicates Z: 47 39.007 2.094 0.830 0.553 0.935 0.630 CB 1.525 39 residues pruned to eliminate duplicates Z: 15 20.802 1.986 0.863 0.719 0.857 0.500 CB 1.438 15 residues pruned to eliminate duplicates Z: 33 41.563 2.098 0.982 0.619 0.969 0.719 CB 1.629 33 residues pruned to eliminate duplicates Z: 52 36.554 2.048 0.795 0.532 0.922 0.549 CB 1.463 57 residues pruned to eliminate duplicates Z: 14 24.825 2.070 0.847 0.798 1.000 0.615 CB 1.387 14 residues pruned to eliminate duplicates Z: 32 35.167 2.084 0.868 0.573 0.935 0.677 CB 1.616 32 residues pruned to eliminate duplicates Z: 48 44.945 2.126 0.877 0.569 0.957 0.723 CB 1.605 48 residues pruned to eliminate duplicates Z: 9 4.530 1.590 0.150 0.322 0.750 0.250 C 1.421 9 residues pruned to eliminate duplicates Z: 28 19.363 2.051 0.475 0.477 0.926 0.519 CB 1.361 28 residues pruned to eliminate duplicates Z: 44 39.048 2.153 0.719 0.527 0.977 0.558 CB 1.604 44 residues pruned to eliminate duplicates Z: 31 40.612 2.188 0.867 0.627 0.967 0.567 CB 1.665 31 residues pruned to eliminate duplicates Z: 31 38.171 2.155 0.900 0.569 0.900 0.633 CB 1.769 31 residues pruned to eliminate duplicates Z: 33 38.170 2.131 0.868 0.616 0.969 0.656 CB 1.568 33 residues pruned to eliminate duplicates Z: 10 12.442 1.988 0.726 0.441 0.889 0.556 CB 1.446 10 residues pruned to eliminate duplicates Z: 8 16.084 2.051 1.016 0.541 1.000 0.714 CB 1.412 8 residues pruned to eliminate duplicates 350 residues left after pruning, divided into chains as follows: A: 177 B: 119 C: 54 CC for partial structure against native data = 36.62 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.606, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.706, Connect. = 0.740 for dens.mod. cycle 2 = 0.301, Contrast = 0.853, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.875, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.896, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.904, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.913, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.916, Connect. = 0.787 for dens.mod. cycle 8 = 0.301, Contrast = 0.920, Connect. = 0.788 for dens.mod. cycle 9 TimeTaking 171.12