++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:09:47 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: ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.ins Phases from ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.phi Native data from ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.hkl Listing output to ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.lst Phases output to ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.phs Poly-Ala trace output to ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 52490 Reflections read from file ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.phi 52490 Reflections read from file ./1vkn-2.5-parrot-hancs/1vkn-2.5-parrot-hancs.hkl 52490 Unique data, highest resolution = 2.450 Angstroms Anisotropic scaling: intensities multiplied by 0.000687h^2 -0.000191k^2 +0.000192l^2 +0.000000kl +0.001176hl +0.000000hk 493 Reflections with d > 2.650 and 0 in range 2.650 > d > 2.450 added Density sharpening factor set to 0.07 Fourier grid = 128 x 128 x 63 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.736 = 0.300, Contrast = 0.464, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.529, Connect. = 0.689 for dens.mod. cycle 2 = 0.300, Contrast = 0.614, Connect. = 0.710 for dens.mod. cycle 3 = 0.300, Contrast = 0.635, Connect. = 0.719 for dens.mod. cycle 4 = 0.300, Contrast = 0.648, Connect. = 0.725 for dens.mod. cycle 5 = 0.300, Contrast = 0.655, Connect. = 0.729 for dens.mod. cycle 6 = 0.300, Contrast = 0.659, Connect. = 0.732 for dens.mod. cycle 7 = 0.300, Contrast = 0.662, Connect. = 0.734 for dens.mod. cycle 8 = 0.300, Contrast = 0.663, Connect. = 0.736 for dens.mod. cycle 9 = 0.300, Contrast = 0.664, Connect. = 0.737 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3509 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1145 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 5.972 1.768 0.342 0.265 1.000 0.571 C 1.244 B: 15 21.076 1.943 1.130 0.866 0.857 0.857 CB 1.162 C: 15 22.350 1.910 0.860 0.767 1.000 0.643 CB 1.327 14 residues pruned to eliminate duplicates D: 9 6.122 1.727 0.461 0.460 0.875 0.625 CB 1.022 E: 13 6.517 1.820 0.549 0.290 0.667 0.333 CB 1.268 F: 13 17.767 1.979 0.322 0.932 1.000 1.000 CB 1.369 14 residues pruned to eliminate duplicates G: 12 15.524 1.994 0.870 0.459 0.909 0.545 CB 1.440 13 residues pruned to eliminate duplicates H: 7 7.568 1.653 0.607 0.788 0.833 0.833 CB 1.083 7 residues pruned to eliminate duplicates I: 10 10.106 1.705 0.814 0.599 0.667 0.556 O 1.487 J: 8 11.874 1.617 1.118 0.665 1.000 0.571 CB 1.125 K: 15 10.557 1.846 0.381 0.423 0.929 0.643 CB 1.291 L: 15 21.684 1.882 1.023 0.763 0.857 0.786 CB 1.406 15 residues pruned to eliminate duplicates M: 7 7.532 1.630 1.126 0.691 0.667 0.667 CB 1.117 7 residues pruned to eliminate duplicates N: 13 12.578 1.623 0.718 0.823 0.750 0.500 CA 1.311 O: 18 14.967 1.705 0.593 0.911 0.941 0.824 CB 1.006 P: 13 28.339 2.043 0.921 0.929 1.000 1.000 CB 1.459 14 residues pruned to eliminate duplicates Q: 6 8.491 1.814 0.887 0.597 0.800 0.600 CB 1.264 R: 13 12.348 1.985 0.474 0.400 0.917 0.417 CB 1.477 13 residues pruned to eliminate duplicates S: 15 21.591 1.851 0.603 0.872 0.929 0.929 CB 1.526 T: 6 5.247 1.509 0.604 0.481 0.800 0.400 N 1.236 U: 14 30.651 1.934 1.153 0.922 1.000 0.846 CB 1.435 14 residues pruned to eliminate duplicates V: 9 9.360 1.665 0.738 0.500 1.000 0.625 CB 1.143 W: 16 22.686 1.847 0.974 0.757 0.933 0.733 CA 1.370 16 residues pruned to eliminate duplicates X: 17 20.777 1.819 0.629 0.927 1.000 0.812 CB 1.229 Y: 17 22.761 1.897 0.707 0.849 0.875 0.688 CA 1.490 13 residues pruned to eliminate duplicates Z: 17 21.914 1.850 0.744 0.777 0.938 0.750 CB 1.419 8 residues pruned to eliminate duplicates Z: 16 25.612 1.934 0.767 0.841 0.933 0.733 CB 1.546 16 residues pruned to eliminate duplicates Z: 14 14.254 1.867 0.804 0.385 0.923 0.615 CB 1.436 Z: 14 20.818 2.029 1.012 0.834 0.846 0.769 CB 1.253 14 residues pruned to eliminate duplicates Z: 9 11.777 1.964 0.570 0.522 1.000 0.625 CB 1.321 9 residues pruned to eliminate duplicates Z: 39 21.956 1.833 0.605 0.550 0.921 0.711 CB 1.251 15 residues pruned to eliminate duplicates Z: 14 19.193 1.852 0.592 0.890 0.923 0.846 CB 1.407 Z: 15 24.333 1.896 0.665 0.819 1.000 0.786 CB 1.561 15 residues pruned to eliminate duplicates Z: 14 22.019 1.982 1.087 0.910 0.846 0.846 CB 1.238 13 residues pruned to eliminate duplicates Z: 44 24.096 1.850 0.713 0.568 0.907 0.744 CB 1.198 Z: 13 18.041 1.755 0.809 0.886 1.000 0.833 CB 1.184 Z: 15 19.864 1.854 0.800 0.782 0.857 0.714 CB 1.447 15 residues pruned to eliminate duplicates Z: 25 22.699 1.974 0.968 0.564 0.875 0.667 CB 1.282 17 residues pruned to eliminate duplicates Z: 7 2.595 1.706 0.711 0.246 0.667 0.333 CB 0.730 7 residues pruned to eliminate duplicates Z: 9 8.768 1.785 0.684 0.415 0.875 0.750 CB 1.289 Z: 9 13.178 1.590 0.841 0.828 1.000 0.875 CA 1.199 10 residues pruned to eliminate duplicates Z: 6 6.615 1.672 0.382 0.755 0.800 0.800 CB 1.275 Z: 13 17.966 1.890 0.747 0.871 0.917 0.917 CB 1.250 13 residues pruned to eliminate duplicates Z: 13 12.424 1.933 0.653 0.414 0.917 0.667 CB 1.340 13 residues pruned to eliminate duplicates Z: 7 6.690 1.559 0.330 0.750 0.833 0.667 CA 1.264 6 residues pruned to eliminate duplicates Z: 11 5.039 1.691 0.332 0.403 0.900 0.600 CB 0.870 Z: 10 7.719 1.686 0.880 0.305 0.889 0.556 N 1.134 Z: 15 24.349 1.914 0.591 0.835 1.000 0.857 CB 1.601 15 residues pruned to eliminate duplicates Z: 9 21.840 1.808 0.982 0.821 1.000 0.750 CA 1.631 8 residues pruned to eliminate duplicates Z: 15 22.243 1.934 0.548 0.833 0.929 0.929 CB 1.604 15 residues pruned to eliminate duplicates Z: 8 9.469 1.588 0.879 0.805 1.000 0.571 CB 0.919 Z: 9 9.066 1.555 0.844 0.686 0.750 0.625 N 1.257 7 residues pruned to eliminate duplicates Z: 12 5.244 1.696 0.324 0.392 0.909 0.273 CB 0.868 19 residues pruned to eliminate duplicates Z: 31 22.614 1.908 0.568 0.597 0.900 0.700 CB 1.398 32 residues pruned to eliminate duplicates Z: 16 13.622 1.709 0.384 0.918 0.933 0.800 CB 1.124 Z: 6 4.856 1.402 0.833 0.714 1.000 0.800 CB 0.696 Z: 8 8.608 1.832 0.466 0.640 0.857 0.714 CB 1.239 8 residues pruned to eliminate duplicates Z: 16 14.806 1.723 0.296 0.903 1.000 0.867 CB 1.220 16 residues pruned to eliminate duplicates Z: 10 6.921 1.645 0.450 0.385 0.889 0.444 CB 1.230 6 residues pruned to eliminate duplicates Z: 16 23.324 1.900 0.755 0.878 1.000 0.733 CB 1.310 17 residues pruned to eliminate duplicates Z: 9 7.231 1.742 0.858 0.584 0.750 0.625 CB 0.972 Z: 19 26.476 1.873 0.820 0.823 1.000 0.722 CA 1.383 17 residues pruned to eliminate duplicates Z: 11 14.742 1.802 0.490 0.844 0.900 0.600 CB 1.436 Z: 15 18.731 1.844 0.729 0.811 1.000 0.500 CB 1.197 15 residues pruned to eliminate duplicates Z: 17 15.095 1.784 0.762 0.834 0.812 0.562 CB 1.107 Z: 14 18.635 1.640 0.683 0.896 1.000 0.769 CA 1.342 Z: 19 13.701 1.796 0.520 0.465 0.889 0.444 CB 1.379 15 residues pruned to eliminate duplicates Z: 15 25.307 1.904 1.163 0.906 0.857 0.643 CB 1.364 15 residues pruned to eliminate duplicates Z: 17 27.902 1.888 0.760 0.873 1.000 0.938 CA 1.529 19 residues pruned to eliminate duplicates Z: 24 10.396 1.699 0.516 0.364 0.913 0.478 CB 1.067 16 residues pruned to eliminate duplicates Z: 16 19.615 1.930 0.636 0.832 0.867 0.733 CB 1.389 16 residues pruned to eliminate duplicates Z: 7 4.003 1.572 0.403 0.557 0.833 0.500 CB 0.841 7 residues pruned to eliminate duplicates Z: 36 21.542 1.900 0.533 0.560 0.886 0.600 CB 1.331 31 residues pruned to eliminate duplicates Z: 7 5.394 1.435 1.210 0.710 0.667 0.667 CA 0.861 7 residues pruned to eliminate duplicates Z: 14 12.770 1.896 0.543 0.398 1.000 0.769 CB 1.348 9 residues pruned to eliminate duplicates Z: 6 7.391 1.584 0.313 0.801 1.000 0.600 CB 1.221 Z: 14 20.053 1.870 0.991 0.839 0.846 0.692 CB 1.317 14 residues pruned to eliminate duplicates Z: 15 23.499 1.856 0.758 0.818 1.000 0.714 CB 1.460 15 residues pruned to eliminate duplicates Z: 9 5.692 1.615 0.679 0.380 0.750 0.375 CB 1.124 6 residues pruned to eliminate duplicates Z: 11 15.883 1.599 0.788 0.840 1.000 0.800 CB 1.311 10 residues pruned to eliminate duplicates Z: 14 19.955 1.821 0.792 0.881 0.923 0.692 CB 1.331 14 residues pruned to eliminate duplicates Z: 12 9.423 1.943 0.165 0.528 0.818 0.727 CA 1.493 12 residues pruned to eliminate duplicates Z: 12 16.249 1.779 0.740 0.875 0.909 0.818 CB 1.266 12 residues pruned to eliminate duplicates Z: 17 9.470 1.699 0.489 0.325 0.875 0.500 CA 1.297 17 residues pruned to eliminate duplicates Z: 26 21.145 1.875 0.551 0.643 0.960 0.760 CB 1.325 30 residues pruned to eliminate duplicates Z: 7 6.757 1.582 1.024 0.479 0.833 0.333 CB 1.056 Z: 8 9.559 1.660 0.638 0.629 1.000 0.857 N 1.177 Z: 13 16.912 1.682 0.791 0.901 1.000 0.917 CB 1.157 Z: 15 15.251 1.849 0.451 0.776 0.929 0.857 CB 1.282 15 residues pruned to eliminate duplicates Z: 8 12.008 1.596 1.169 0.660 1.000 0.429 CB 1.131 Z: 15 20.296 1.791 0.896 0.924 1.000 0.929 CB 1.122 15 residues pruned to eliminate duplicates Z: 6 6.099 1.786 0.197 0.617 0.800 0.600 CB 1.428 6 residues pruned to eliminate duplicates Z: 15 20.370 1.892 0.701 0.827 1.000 0.929 CB 1.274 15 residues pruned to eliminate duplicates Z: 10 15.092 1.945 0.408 0.899 1.000 0.778 CB 1.312 10 residues pruned to eliminate duplicates Z: 17 17.508 1.798 0.582 0.915 0.938 0.875 CB 1.160 17 residues pruned to eliminate duplicates Z: 16 17.139 1.858 0.181 0.843 0.933 0.933 CA 1.607 16 residues pruned to eliminate duplicates Z: 31 21.034 1.876 0.580 0.535 0.900 0.633 CB 1.391 17 residues pruned to eliminate duplicates Z: 19 7.627 1.747 0.403 0.227 0.833 0.333 CB 1.211 19 residues pruned to eliminate duplicates Z: 7 5.743 1.752 0.141 0.671 0.833 0.833 CA 1.202 7 residues pruned to eliminate duplicates Z: 10 6.687 1.863 0.968 0.341 1.000 0.778 CB 0.723 Z: 15 12.383 1.560 0.717 0.841 0.929 0.571 CB 0.993 Z: 31 22.316 1.847 0.771 0.531 0.900 0.633 CB 1.342 21 residues pruned to eliminate duplicates Z: 14 4.936 1.664 0.229 0.355 0.769 0.385 CB 1.018 Z: 13 14.992 1.728 0.550 0.886 1.000 0.917 CB 1.166 Z: 6 3.698 1.785 0.604 0.468 0.800 0.600 CB 0.746 Z: 14 19.142 1.855 0.648 0.890 1.000 0.923 CB 1.249 14 residues pruned to eliminate duplicates Z: 31 18.567 1.851 0.636 0.467 0.900 0.467 CB 1.286 33 residues pruned to eliminate duplicates Z: 15 21.460 1.794 0.656 0.850 0.929 0.857 CA 1.540 15 residues pruned to eliminate duplicates Z: 12 11.280 1.863 0.568 0.376 1.000 0.636 CB 1.330 14 residues pruned to eliminate duplicates Z: 13 14.953 1.745 0.465 0.929 1.000 1.000 CB 1.181 13 residues pruned to eliminate duplicates Z: 8 19.177 1.967 0.820 0.772 1.000 1.000 CB 1.592 8 residues pruned to eliminate duplicates Z: 16 21.421 1.854 0.629 0.911 1.000 1.000 CB 1.298 18 residues pruned to eliminate duplicates Z: 16 24.643 1.862 0.736 0.789 1.000 0.867 CB 1.527 16 residues pruned to eliminate duplicates Z: 14 16.850 1.846 0.569 0.876 0.923 0.846 CB 1.270 14 residues pruned to eliminate duplicates Z: 10 8.218 1.704 0.586 0.491 0.778 0.778 CB 1.314 Z: 13 19.667 1.774 0.702 0.908 1.000 0.833 CB 1.336 13 residues pruned to eliminate duplicates Z: 12 6.459 1.663 0.537 0.269 0.909 0.636 N 1.090 Z: 24 17.562 1.720 0.959 0.595 0.826 0.696 CB 1.202 14 residues pruned to eliminate duplicates Z: 16 20.924 1.861 0.413 0.849 1.000 0.867 CA 1.523 16 residues pruned to eliminate duplicates Z: 13 11.128 1.579 0.549 0.827 0.917 0.500 CB 1.080 Z: 33 26.288 1.910 0.595 0.630 0.969 0.844 CB 1.393 33 residues pruned to eliminate duplicates Z: 8 8.206 1.691 1.115 0.345 1.000 0.429 CB 1.026 Z: 8 11.190 1.938 1.020 0.385 0.857 0.571 CB 1.424 10 residues pruned to eliminate duplicates Z: 18 9.741 1.733 0.597 0.464 0.882 0.588 CB 1.004 Z: 35 23.048 1.830 0.662 0.614 0.941 0.706 CB 1.239 35 residues pruned to eliminate duplicates Z: 17 23.621 1.822 0.724 0.803 0.938 0.688 CB 1.539 18 residues pruned to eliminate duplicates Z: 17 19.766 1.800 0.762 0.915 1.000 0.875 CB 1.101 17 residues pruned to eliminate duplicates Z: 18 14.801 1.707 0.674 0.827 0.824 0.706 CB 1.150 17 residues pruned to eliminate duplicates Z: 12 16.739 1.776 0.606 0.912 1.000 1.000 CB 1.253 12 residues pruned to eliminate duplicates Z: 18 17.703 1.888 0.384 0.700 0.941 0.765 CB 1.454 18 residues pruned to eliminate duplicates Z: 15 10.283 1.683 0.400 0.819 0.929 0.786 CB 0.953 15 residues pruned to eliminate duplicates Z: 11 4.911 1.506 0.242 0.482 0.900 0.500 CB 0.940 Z: 13 16.329 1.697 0.734 0.877 0.917 0.833 CB 1.269 12 residues pruned to eliminate duplicates Z: 13 17.711 1.648 1.001 0.824 1.000 0.667 CB 1.171 12 residues pruned to eliminate duplicates Z: 16 21.590 1.794 0.769 0.809 1.000 0.667 CB 1.341 16 residues pruned to eliminate duplicates Z: 6 6.527 1.656 0.732 0.650 0.800 0.600 CA 1.107 6 residues pruned to eliminate duplicates Z: 11 16.067 1.893 0.850 0.621 0.900 0.700 CA 1.439 Z: 9 12.650 1.857 0.800 0.888 0.875 0.625 CB 1.101 9 residues pruned to eliminate duplicates Z: 19 6.575 1.631 0.296 0.262 0.778 0.444 CB 1.237 19 residues pruned to eliminate duplicates Z: 8 6.987 1.456 0.553 0.776 0.714 0.571 O 1.282 8 residues pruned to eliminate duplicates Z: 15 15.590 1.729 0.526 0.890 1.000 0.786 CB 1.136 15 residues pruned to eliminate duplicates Z: 12 18.158 1.714 0.870 0.913 1.000 0.727 CB 1.209 12 residues pruned to eliminate duplicates Z: 15 18.511 1.892 0.884 0.607 0.929 0.786 CB 1.350 20 residues pruned to eliminate duplicates Z: 22 16.235 1.818 0.551 0.485 0.952 0.571 CB 1.339 22 residues pruned to eliminate duplicates Z: 14 5.208 1.478 0.947 0.463 0.923 0.538 CB 0.565 Z: 16 10.093 1.664 0.995 0.360 0.800 0.533 CB 1.141 Z: 9 7.452 1.438 1.169 0.754 0.875 0.625 N 0.770 9 residues pruned to eliminate duplicates Z: 13 16.652 1.775 0.669 0.838 1.000 0.917 CA 1.212 13 residues pruned to eliminate duplicates Z: 9 6.203 1.853 0.474 0.441 0.750 0.625 CB 1.138 9 residues pruned to eliminate duplicates Z: 18 13.188 1.869 0.831 0.509 0.882 0.529 CB 1.049 Z: 16 7.520 1.534 0.582 0.384 0.867 0.467 CB 1.044 9 residues pruned to eliminate duplicates Z: 11 5.908 1.596 0.642 0.480 0.800 0.500 CB 0.910 11 residues pruned to eliminate duplicates Z: 9 6.241 1.824 0.543 0.515 0.750 0.500 CB 1.030 9 residues pruned to eliminate duplicates Z: 21 12.706 1.650 0.762 0.532 0.850 0.650 CB 1.115 7 residues pruned to eliminate duplicates Z: 7 7.072 1.556 0.772 0.488 0.833 0.833 C 1.272 Z: 15 18.849 1.734 0.693 0.844 1.000 0.857 CB 1.277 13 residues pruned to eliminate duplicates Z: 8 6.453 1.630 0.705 0.398 0.714 0.429 N 1.368 8 residues pruned to eliminate duplicates Z: 24 19.671 1.664 1.035 0.567 0.957 0.652 CA 1.188 16 residues pruned to eliminate duplicates Z: 18 18.647 1.729 0.686 0.897 1.000 0.824 CB 1.110 18 residues pruned to eliminate duplicates Z: 12 14.672 1.754 0.589 0.843 0.909 0.909 CB 1.300 12 residues pruned to eliminate duplicates Z: 16 20.786 1.877 0.645 0.894 1.000 0.800 CB 1.247 16 residues pruned to eliminate duplicates Z: 13 5.778 1.577 0.500 0.562 0.750 0.750 CB 0.885 7 residues pruned to eliminate duplicates Z: 16 12.610 1.706 0.471 0.906 0.933 0.733 CB 0.989 16 residues pruned to eliminate duplicates Z: 16 21.201 1.895 0.853 0.860 1.000 0.600 CB 1.146 18 residues pruned to eliminate duplicates Z: 15 15.468 1.699 0.698 0.830 0.929 0.643 CB 1.160 12 residues pruned to eliminate duplicates Z: 9 16.165 1.753 0.710 0.887 1.000 0.875 CB 1.374 9 residues pruned to eliminate duplicates Z: 8 6.598 1.757 0.646 0.490 0.714 0.571 CB 1.219 6 0.544 1.441 0.535 0.270 0.600 0.400 CB 0.238 ? Z: 7 3.857 1.772 0.127 0.378 0.667 0.500 CB 1.346 7 residues pruned to eliminate duplicates Z: 12 7.494 1.661 0.829 0.442 0.818 0.636 CB 0.965 8 residues pruned to eliminate duplicates Z: 37 18.165 1.814 0.560 0.462 0.917 0.667 CB 1.214 30 residues pruned to eliminate duplicates Z: 8 4.647 1.560 0.237 0.502 0.857 0.571 CB 1.060 Z: 14 14.048 1.588 0.557 0.904 1.000 0.846 CA 1.123 14 residues pruned to eliminate duplicates Z: 15 9.672 1.862 0.541 0.356 0.857 0.500 CB 1.228 11 residues pruned to eliminate duplicates Z: 16 24.420 1.898 0.760 0.830 1.000 0.733 CB 1.419 17 residues pruned to eliminate duplicates Z: 32 26.279 1.914 0.663 0.593 0.935 0.742 CB 1.451 32 residues pruned to eliminate duplicates Z: 15 9.954 1.778 0.680 0.337 0.857 0.643 CB 1.242 14 residues pruned to eliminate duplicates Z: 16 18.931 1.829 0.663 0.871 0.933 0.667 CB 1.256 16 residues pruned to eliminate duplicates Z: 9 5.079 1.723 0.666 0.564 0.750 0.625 CB 0.784 9 residues pruned to eliminate duplicates Z: 46 25.472 1.807 0.717 0.489 0.867 0.644 CB 1.428 41 residues pruned to eliminate duplicates Z: 18 23.179 1.911 0.800 0.840 0.941 0.824 CB 1.295 18 residues pruned to eliminate duplicates Z: 7 4.893 1.565 0.330 0.538 0.833 0.833 CB 1.110 Z: 13 7.989 1.781 0.522 0.311 0.750 0.333 CB 1.398 8 residues pruned to eliminate duplicates Z: 7 8.587 1.602 0.680 0.736 1.000 0.667 CA 1.054 7 residues pruned to eliminate duplicates Z: 13 13.365 1.819 0.693 0.897 0.917 0.917 CB 0.978 13 residues pruned to eliminate duplicates Z: 17 20.003 1.772 0.879 0.903 0.938 0.812 CB 1.142 17 residues pruned to eliminate duplicates Z: 6 7.294 1.824 0.477 0.807 0.800 0.400 CB 1.158 6 residues pruned to eliminate duplicates Z: 35 16.103 1.766 0.794 0.483 0.853 0.471 CB 1.040 35 residues pruned to eliminate duplicates Z: 13 18.394 1.790 0.830 0.850 0.917 0.750 CB 1.310 12 residues pruned to eliminate duplicates Z: 17 19.914 1.807 0.815 0.907 1.000 0.625 CB 1.079 17 residues pruned to eliminate duplicates Z: 11 3.456 1.632 0.538 0.206 0.700 0.400 CB 0.882 14 residues pruned to eliminate duplicates Z: 35 26.747 1.878 0.685 0.588 0.971 0.794 CB 1.373 33 residues pruned to eliminate duplicates Z: 14 4.672 1.567 0.270 0.376 0.769 0.385 CB 0.967 Z: 17 14.469 1.741 0.480 0.806 0.938 0.812 CB 1.147 17 residues pruned to eliminate duplicates Z: 9 4.656 1.644 1.118 0.282 0.625 0.625 CB 0.968 Z: 15 17.281 1.784 0.922 0.876 0.929 0.786 CB 1.054 15 residues pruned to eliminate duplicates Z: 13 16.338 1.793 0.663 0.894 0.917 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 7 5.804 1.647 0.348 0.412 0.833 0.667 O 1.405 Z: 14 15.268 1.892 0.806 0.872 0.923 0.769 CB 0.978 14 residues pruned to eliminate duplicates Z: 14 17.772 1.775 0.545 0.882 1.000 1.000 CB 1.301 14 residues pruned to eliminate duplicates Z: 10 7.577 1.663 0.260 0.568 0.889 0.778 CB 1.270 8 residues pruned to eliminate duplicates Z: 13 12.302 1.782 0.790 0.573 0.917 0.500 CB 1.132 12 residues pruned to eliminate duplicates Z: 12 23.061 1.890 1.179 0.925 1.000 0.727 CB 1.185 12 residues pruned to eliminate duplicates Z: 7 4.261 1.434 0.410 0.687 0.833 0.667 CB 0.869 7 residues pruned to eliminate duplicates Z: 8 3.642 1.703 0.133 0.428 0.571 0.571 CB 1.346 Z: 25 22.508 1.791 0.885 0.612 0.958 0.750 CB 1.277 25 residues pruned to eliminate duplicates Z: 10 17.487 1.935 0.621 0.916 1.000 0.889 CB 1.313 10 residues pruned to eliminate duplicates Z: 12 8.560 1.579 0.701 0.699 0.818 0.636 CB 0.979 Z: 9 12.839 1.849 0.390 0.869 0.875 0.750 CB 1.474 9 residues pruned to eliminate duplicates Z: 46 29.763 1.874 0.789 0.600 0.933 0.733 CB 1.289 46 residues pruned to eliminate duplicates Z: 10 17.055 1.746 0.861 0.859 1.000 0.889 CB 1.288 12 residues pruned to eliminate duplicates Z: 8 4.764 1.719 0.498 0.456 0.571 0.571 CB 1.280 8 residues pruned to eliminate duplicates Z: 16 16.757 1.789 0.940 0.549 0.933 0.667 CB 1.274 16 residues pruned to eliminate duplicates Z: 9 7.675 1.601 0.607 0.580 0.750 0.625 O 1.303 9 residues pruned to eliminate duplicates Z: 18 10.120 1.695 0.333 0.449 0.882 0.412 CB 1.298 Z: 14 22.510 1.903 0.734 0.873 1.000 0.846 CA 1.377 14 residues pruned to eliminate duplicates Z: 14 11.010 1.900 0.784 0.441 0.846 0.538 CB 1.132 14 residues pruned to eliminate duplicates Z: 11 10.657 1.453 0.827 0.736 0.900 0.500 CB 1.141 11 residues pruned to eliminate duplicates Z: 26 17.416 1.870 0.762 0.563 0.920 0.440 CB 1.081 26 residues pruned to eliminate duplicates Z: 16 6.920 1.660 0.304 0.282 0.867 0.400 CB 1.217 16 residues pruned to eliminate duplicates Z: 10 5.025 1.528 0.297 0.463 1.000 0.444 N 0.878 Z: 17 20.243 1.808 0.581 0.912 1.000 0.875 CB 1.255 17 residues pruned to eliminate duplicates Z: 16 20.576 1.812 0.815 0.879 1.000 0.800 CB 1.172 16 residues pruned to eliminate duplicates Z: 22 15.919 1.703 0.771 0.642 0.952 0.714 CB 1.059 14 residues pruned to eliminate duplicates Z: 9 14.380 1.815 0.550 0.810 1.000 0.750 CB 1.380 9 residues pruned to eliminate duplicates Z: 15 19.754 1.928 0.855 0.631 0.929 0.857 CA 1.405 15 residues pruned to eliminate duplicates Z: 7 7.398 1.602 1.300 0.505 0.667 0.667 CA 1.223 Z: 17 7.999 1.706 1.001 0.357 0.750 0.438 CB 0.912 5 residues pruned to eliminate duplicates Z: 11 8.069 1.517 0.561 0.429 1.000 0.600 CB 1.160 Z: 46 28.320 1.872 0.636 0.633 0.956 0.711 CB 1.273 47 residues pruned to eliminate duplicates Z: 13 12.534 1.602 0.534 0.863 0.917 0.917 CB 1.178 Z: 9 9.185 1.423 0.630 0.822 1.000 0.875 CA 1.059 5 residues pruned to eliminate duplicates Z: 11 5.314 1.684 0.431 0.836 0.900 0.900 CB 0.580 11 residues pruned to eliminate duplicates Z: 45 25.858 1.833 0.797 0.522 0.909 0.682 CB 1.274 44 residues pruned to eliminate duplicates Z: 15 22.495 1.920 1.186 0.877 0.786 0.714 CB 1.324 15 residues pruned to eliminate duplicates Z: 10 6.357 1.611 0.381 0.566 0.889 0.444 N 1.005 Z: 7 6.059 1.651 0.937 0.658 0.667 0.500 CA 1.002 Z: 6 2.067 1.448 0.224 0.495 0.600 0.400 O 0.873 6 residues pruned to eliminate duplicates Z: 16 24.328 1.821 1.051 0.826 0.933 0.733 CB 1.359 16 residues pruned to eliminate duplicates Z: 45 18.477 1.795 0.387 0.575 0.932 0.523 CB 1.117 37 residues pruned to eliminate duplicates Z: 7 8.917 1.896 0.726 0.494 0.833 0.833 CB 1.343 7 residues pruned to eliminate duplicates Z: 17 27.958 1.874 0.956 0.856 1.000 0.812 CA 1.406 17 residues pruned to eliminate duplicates Z: 15 17.491 1.821 0.652 0.788 1.000 0.714 CB 1.206 15 residues pruned to eliminate duplicates Z: 18 18.693 1.705 0.604 0.765 0.941 0.588 CB 1.392 17 residues pruned to eliminate duplicates Z: 10 6.321 1.735 0.515 0.542 0.556 0.333 CB 1.384 11 residues pruned to eliminate duplicates Z: 29 12.989 1.752 0.400 0.482 0.893 0.536 CB 1.142 29 residues pruned to eliminate duplicates Z: 14 9.913 1.630 0.699 0.391 0.846 0.538 N 1.318 14 residues pruned to eliminate duplicates Z: 8 8.629 1.700 0.360 0.578 1.000 0.571 CB 1.309 Z: 10 9.759 1.699 0.552 0.656 0.889 0.778 CA 1.201 10 residues pruned to eliminate duplicates Z: 32 24.655 1.924 0.605 0.558 0.935 0.677 CB 1.449 32 residues pruned to eliminate duplicates Z: 33 14.126 1.740 0.754 0.369 0.812 0.531 CB 1.158 35 residues pruned to eliminate duplicates Z: 7 2.701 1.480 0.254 0.298 0.833 0.333 CB 0.894 Z: 9 15.211 1.827 0.637 0.883 0.875 0.625 CB 1.486 9 residues pruned to eliminate duplicates Z: 10 5.343 1.531 0.453 0.361 0.778 0.444 CB 1.196 Z: 53 26.139 1.839 0.655 0.512 0.923 0.731 CB 1.275 62 residues pruned to eliminate duplicates Z: 6 6.166 1.703 0.616 0.735 0.800 0.600 CB 1.015 6 residues pruned to eliminate duplicates Z: 12 16.441 1.775 0.518 0.916 1.000 1.000 CB 1.299 12 residues pruned to eliminate duplicates Z: 16 18.327 1.853 0.635 0.692 0.867 0.600 N 1.512 14 residues pruned to eliminate duplicates Z: 17 9.143 1.746 0.345 0.246 0.875 0.312 O 1.490 16 residues pruned to eliminate duplicates Z: 11 6.221 1.475 0.560 0.349 0.800 0.600 CA 1.257 11 residues pruned to eliminate duplicates Z: 22 8.727 1.762 0.468 0.347 0.762 0.429 CB 1.140 24 residues pruned to eliminate duplicates Z: 14 22.468 1.746 0.922 0.825 1.000 0.538 CB 1.402 14 residues pruned to eliminate duplicates Z: 10 8.349 1.363 0.803 0.635 0.889 0.333 CB 1.123 Z: 10 5.898 1.355 0.864 0.274 1.000 0.333 CA 1.005 Z: 6 2.284 1.338 0.553 0.390 0.600 0.600 CB 0.920 Z: 8 9.117 1.470 0.786 0.762 1.000 0.429 N 1.039 Z: 9 2.304 1.406 0.260 0.304 0.625 0.500 CB 0.914 Z: 13 18.694 1.753 0.834 0.884 1.000 0.833 CB 1.213 13 residues pruned to eliminate duplicates Z: 17 21.683 1.894 0.676 0.779 1.000 0.750 CA 1.335 17 residues pruned to eliminate duplicates Z: 13 19.397 1.758 0.849 0.900 1.000 0.833 CB 1.230 14 residues pruned to eliminate duplicates Z: 21 12.341 1.736 0.511 0.477 0.900 0.750 CB 1.196 22 residues pruned to eliminate duplicates Z: 6 8.080 1.387 1.341 0.493 1.000 0.600 CB 1.120 Z: 11 7.746 1.690 0.762 0.373 0.800 0.500 CB 1.178 Z: 7 8.438 1.793 0.534 0.574 0.833 0.500 CB 1.399 7 residues pruned to eliminate duplicates Z: 15 17.507 1.829 0.635 0.896 0.929 0.929 CB 1.207 15 residues pruned to eliminate duplicates Z: 6 4.796 1.636 0.210 0.831 1.000 1.000 CB 0.814 Z: 11 10.904 1.749 0.524 0.841 0.900 0.900 CB 1.072 11 residues pruned to eliminate duplicates Z: 11 6.174 1.797 -0.006 0.402 1.000 0.300 CB 1.212 14 residues pruned to eliminate duplicates Z: 15 10.008 1.656 0.520 0.449 0.929 0.714 CA 1.206 Z: 11 13.506 1.714 0.546 0.895 1.000 0.900 CB 1.156 10 residues pruned to eliminate duplicates Z: 12 17.569 1.947 0.675 0.568 1.000 0.636 CA 1.520 12 residues pruned to eliminate duplicates Z: 15 18.588 1.851 0.714 0.802 1.000 0.857 CB 1.202 15 residues pruned to eliminate duplicates Z: 57 26.033 1.827 0.607 0.459 0.964 0.554 CB 1.281 53 residues pruned to eliminate duplicates Z: 28 26.400 1.888 0.547 0.650 1.000 0.815 CB 1.512 28 residues pruned to eliminate duplicates Z: 11 17.990 1.952 0.779 0.615 1.000 0.800 CA 1.469 14 residues pruned to eliminate duplicates Z: 12 5.208 1.493 0.296 0.503 0.727 0.545 CB 1.112 Z: 6 2.927 1.602 0.931 0.679 1.000 0.800 CB 0.359 Z: 11 6.512 1.653 0.713 0.391 0.700 0.600 CB 1.166 13 residues pruned to eliminate duplicates Z: 7 3.324 1.466 0.734 0.486 0.667 0.500 CB 0.812 Z: 14 10.886 1.758 0.809 0.345 0.923 0.462 CB 1.217 14 residues pruned to eliminate duplicates Z: 31 25.836 1.894 0.630 0.625 0.933 0.633 CB 1.455 32 residues pruned to eliminate duplicates Z: 8 8.270 1.617 0.333 0.642 1.000 0.857 CB 1.270 Z: 10 6.632 1.653 0.461 0.496 0.778 0.556 CB 1.182 Z: 22 7.479 1.604 0.532 0.351 0.952 0.571 CB 0.819 12 residues pruned to eliminate duplicates Z: 15 12.291 1.867 0.312 0.755 0.857 0.571 CB 1.247 15 residues pruned to eliminate duplicates Z: 12 14.944 1.759 0.806 0.817 0.909 0.909 CB 1.186 12 residues pruned to eliminate duplicates Z: 6 5.152 1.417 0.395 0.761 0.800 0.600 O 1.156 Z: 13 11.539 1.602 0.836 0.787 0.833 0.500 CB 1.056 13 residues pruned to eliminate duplicates Z: 14 19.899 1.736 0.893 0.806 1.000 0.538 CB 1.285 16 residues pruned to eliminate duplicates Z: 15 15.305 1.754 0.783 0.817 0.929 0.786 CB 1.069 15 residues pruned to eliminate duplicates Z: 17 13.780 1.647 0.504 0.729 0.938 0.688 CB 1.207 17 residues pruned to eliminate duplicates Z: 9 10.576 1.830 0.555 0.826 0.875 0.875 CB 1.133 9 residues pruned to eliminate duplicates 7 1.907 1.418 -0.061 0.497 0.667 0.500 CB 0.880 ? 6 0.866 1.399 0.649 0.300 0.600 0.400 CB 0.350 ? Z: 15 5.298 1.600 0.226 0.291 0.857 0.429 CB 1.065 15 residues pruned to eliminate duplicates Z: 8 3.249 1.701 0.410 0.656 1.000 0.714 CB 0.443 Z: 9 4.336 1.552 0.075 0.464 0.875 0.625 CB 1.089 Z: 7 2.328 1.380 0.664 0.318 0.667 0.500 CB 0.759 7 residues pruned to eliminate duplicates Z: 6 7.995 1.720 0.327 0.819 1.000 0.600 CB 1.188 6 residues pruned to eliminate duplicates Z: 7 8.774 1.448 0.889 0.836 1.000 0.833 N 0.980 4 residues pruned to eliminate duplicates Z: 15 18.873 1.840 0.562 0.885 0.857 0.714 CB 1.479 15 residues pruned to eliminate duplicates Z: 6 4.275 1.428 0.212 0.550 1.000 0.800 CB 1.052 Z: 16 21.677 1.897 0.832 0.933 0.933 0.800 CB 1.204 16 residues pruned to eliminate duplicates Z: 6 6.729 1.501 0.422 0.713 1.000 0.600 N 1.162 6 residues pruned to eliminate duplicates Z: 12 17.924 1.763 0.839 0.886 1.000 0.909 CB 1.203 12 residues pruned to eliminate duplicates Z: 18 7.968 1.792 0.954 0.235 0.824 0.529 CB 0.911 7 residues pruned to eliminate duplicates Z: 12 5.548 1.580 0.251 0.366 0.909 0.364 CB 1.074 Z: 11 8.390 1.693 0.753 0.509 0.900 0.600 CB 0.984 11 residues pruned to eliminate duplicates Z: 14 16.027 1.754 0.628 0.836 1.000 0.769 CB 1.165 14 residues pruned to eliminate duplicates Z: 17 16.562 1.651 0.811 0.877 0.938 0.688 CB 1.073 17 residues pruned to eliminate duplicates Z: 9 6.367 1.772 0.152 0.493 1.000 0.625 CB 1.110 9 residues pruned to eliminate duplicates Z: 34 23.626 1.838 0.526 0.635 0.939 0.667 CB 1.375 34 residues pruned to eliminate duplicates Z: 18 14.982 1.688 0.660 0.856 1.000 0.765 CB 0.957 18 residues pruned to eliminate duplicates Z: 9 12.073 1.665 0.606 0.665 1.000 0.625 CB 1.370 9 residues pruned to eliminate duplicates Z: 14 16.377 1.943 0.726 0.577 0.923 0.692 CA 1.362 14 residues pruned to eliminate duplicates Z: 13 7.594 1.545 0.400 0.516 0.833 0.750 CB 1.197 Z: 7 6.460 1.712 0.055 0.562 1.000 0.667 O 1.375 7 residues pruned to eliminate duplicates Z: 17 9.979 1.759 0.392 0.422 1.000 0.750 CB 1.105 17 residues pruned to eliminate duplicates Z: 7 3.379 1.478 0.270 0.440 0.667 0.500 CB 1.172 6 residues pruned to eliminate duplicates Z: 6 2.723 1.576 0.228 0.402 0.800 0.600 CB 0.872 6 residues pruned to eliminate duplicates Z: 9 7.659 1.428 0.940 0.762 0.750 0.500 O 1.032 9 residues pruned to eliminate duplicates Z: 10 8.287 1.432 0.427 0.744 1.000 0.556 CB 1.087 10 residues pruned to eliminate duplicates Z: 27 13.757 1.634 0.532 0.582 0.923 0.577 CB 1.079 26 residues pruned to eliminate duplicates Z: 11 12.347 1.566 0.658 0.875 0.900 0.600 CB 1.215 11 residues pruned to eliminate duplicates Z: 7 9.171 1.458 0.904 0.751 1.000 0.667 N 1.078 8 residues pruned to eliminate duplicates Z: 9 4.598 1.688 0.142 0.765 0.875 0.625 CB 0.762 9 residues pruned to eliminate duplicates Z: 33 17.670 1.863 0.860 0.562 0.844 0.625 CB 1.006 23 residues pruned to eliminate duplicates Z: 13 15.121 1.810 0.765 0.549 0.917 0.750 CB 1.421 13 residues pruned to eliminate duplicates Z: 15 8.825 1.594 0.638 0.472 0.929 0.714 CB 1.001 Z: 13 5.861 1.390 0.443 0.324 1.000 0.333 CB 1.023 Z: 12 17.629 1.765 0.718 0.896 1.000 0.909 CB 1.255 12 residues pruned to eliminate duplicates Z: 14 11.223 1.647 0.872 0.614 1.000 0.769 CB 0.906 10 residues pruned to eliminate duplicates Z: 14 9.662 1.687 0.241 0.722 1.000 0.692 CB 1.047 14 residues pruned to eliminate duplicates Z: 8 10.794 1.646 0.480 0.671 1.000 0.571 CA 1.430 Z: 14 9.113 1.651 0.348 0.494 0.846 0.615 CB 1.351 16 residues pruned to eliminate duplicates Z: 11 12.429 1.867 0.447 0.704 1.000 0.900 CB 1.208 11 residues pruned to eliminate duplicates Z: 13 15.507 1.592 0.721 0.869 1.000 0.667 CB 1.194 13 residues pruned to eliminate duplicates Z: 8 4.287 1.490 0.191 0.614 0.857 0.571 O 0.957 Z: 26 21.344 1.960 0.951 0.602 0.880 0.640 CB 1.151 26 residues pruned to eliminate duplicates Z: 8 10.718 1.762 0.937 0.543 1.000 0.571 CB 1.138 Z: 41 18.008 1.699 0.511 0.548 0.900 0.675 CB 1.176 33 residues pruned to eliminate duplicates Z: 8 9.257 1.657 0.734 0.669 0.714 0.714 O 1.459 8 residues pruned to eliminate duplicates Z: 16 16.242 1.812 0.472 0.874 1.000 0.800 CB 1.145 16 residues pruned to eliminate duplicates Z: 7 4.305 1.189 0.827 0.599 1.000 0.500 CB 0.737 Z: 12 16.330 1.779 0.564 0.877 1.000 0.909 CB 1.285 12 residues pruned to eliminate duplicates Z: 6 3.886 1.380 0.567 0.555 0.800 0.600 CB 0.952 Z: 10 11.560 1.772 1.018 0.529 0.889 0.778 CB 1.179 10 residues pruned to eliminate duplicates Z: 24 20.187 1.789 0.988 0.575 0.913 0.652 CA 1.206 24 residues pruned to eliminate duplicates Z: 7 7.165 1.673 0.324 0.729 1.000 0.833 CB 1.075 6 residues pruned to eliminate duplicates Z: 9 3.556 1.513 0.447 0.205 0.750 0.375 CB 1.086 9 residues pruned to eliminate duplicates Z: 7 5.598 1.570 0.702 0.691 0.667 0.333 CB 1.077 7 residues pruned to eliminate duplicates Z: 6 7.304 1.576 1.209 0.432 0.800 0.600 CB 1.258 Z: 11 11.758 1.545 0.932 0.861 0.900 0.600 CB 1.017 11 residues pruned to eliminate duplicates Z: 8 3.632 1.634 0.472 0.280 0.571 0.429 CB 1.281 8 residues pruned to eliminate duplicates Z: 6 2.601 1.587 -0.021 0.295 0.800 0.400 CB 1.177 Z: 7 7.853 1.634 1.038 0.789 0.833 0.667 CA 0.896 7 residues pruned to eliminate duplicates Z: 56 24.686 1.842 0.798 0.428 0.891 0.509 CB 1.217 56 residues pruned to eliminate duplicates Z: 28 10.406 1.710 0.414 0.362 0.852 0.556 CB 1.128 28 residues pruned to eliminate duplicates Z: 9 8.229 1.494 0.714 0.548 1.000 0.625 CB 1.085 Z: 13 5.689 1.661 0.466 0.352 0.750 0.750 CB 1.055 Z: 7 2.989 1.396 0.380 0.274 1.000 0.500 CB 0.818 Z: 6 2.203 1.598 0.196 0.294 0.800 0.400 CB 0.811 Z: 33 24.133 1.859 0.578 0.569 0.969 0.781 CB 1.404 33 residues pruned to eliminate duplicates Z: 36 23.333 1.833 0.743 0.548 0.943 0.800 CB 1.249 36 residues pruned to eliminate duplicates Z: 8 4.270 1.663 0.641 0.447 0.571 0.429 CB 1.092 Z: 8 7.805 1.458 0.708 0.761 0.857 0.714 CB 1.097 Z: 17 13.418 1.803 0.722 0.699 0.875 0.438 CB 1.030 23 residues pruned to eliminate duplicates Z: 34 21.694 1.787 0.567 0.599 0.879 0.576 CB 1.396 34 residues pruned to eliminate duplicates Z: 13 8.428 1.629 0.337 0.883 1.000 0.917 CB 0.808 13 residues pruned to eliminate duplicates Z: 42 23.375 1.702 0.823 0.573 0.902 0.488 CB 1.215 50 residues pruned to eliminate duplicates Z: 17 15.748 1.721 0.258 0.865 1.000 0.875 CB 1.332 17 residues pruned to eliminate duplicates Z: 17 13.747 1.639 0.451 0.900 1.000 0.750 CB 1.032 17 residues pruned to eliminate duplicates Z: 14 15.211 1.710 0.847 0.841 0.923 0.769 CA 1.080 14 residues pruned to eliminate duplicates Z: 6 5.505 1.677 0.334 0.725 1.000 0.600 CB 0.899 8 1.138 1.133 0.738 0.365 0.714 0.286 N 0.354 ? Z: 20 6.206 1.477 0.215 0.362 0.947 0.526 CB 0.972 20 residues pruned to eliminate duplicates Z: 17 17.504 1.712 0.915 0.815 0.875 0.750 CB 1.160 17 residues pruned to eliminate duplicates Z: 7 4.380 1.533 0.753 0.247 0.667 0.500 CB 1.337 Z: 16 19.573 1.834 0.574 0.877 0.933 0.800 CB 1.362 16 residues pruned to eliminate duplicates Z: 11 11.824 1.602 0.538 0.677 0.900 0.400 CA 1.433 11 residues pruned to eliminate duplicates Z: 7 5.462 1.719 0.596 0.414 0.667 0.500 CA 1.334 10 residues pruned to eliminate duplicates Z: 8 7.839 1.642 0.808 0.756 0.571 0.286 CB 1.390 8 residues pruned to eliminate duplicates Z: 8 5.337 1.588 0.649 0.369 0.714 0.429 N 1.242 Z: 14 15.467 1.792 0.728 0.782 0.923 0.769 CB 1.171 14 residues pruned to eliminate duplicates Z: 10 4.772 1.433 0.990 0.462 0.667 0.556 CB 0.870 9 residues pruned to eliminate duplicates Z: 9 10.962 1.763 0.828 0.877 1.000 0.875 CB 0.873 9 residues pruned to eliminate duplicates Z: 6 4.907 1.785 0.396 0.330 0.800 0.400 CB 1.326 6 residues pruned to eliminate duplicates Z: 12 4.353 1.508 0.847 0.239 0.818 0.545 CB 0.780 12 residues pruned to eliminate duplicates Z: 17 18.673 1.786 0.590 0.906 1.000 0.875 CB 1.169 17 residues pruned to eliminate duplicates Z: 9 11.223 1.681 0.636 0.873 0.875 0.750 CB 1.201 9 residues pruned to eliminate duplicates Z: 8 8.927 1.398 0.889 0.819 1.000 0.571 CA 0.968 7 residues pruned to eliminate duplicates Z: 31 19.331 1.771 0.843 0.524 0.867 0.667 CB 1.218 46 residues pruned to eliminate duplicates Z: 20 11.688 1.664 0.462 0.404 0.895 0.474 CB 1.362 11 residues pruned to eliminate duplicates Z: 14 8.518 1.693 0.549 0.432 0.692 0.385 CB 1.396 14 residues pruned to eliminate duplicates Z: 7 11.219 1.624 1.231 0.580 0.833 0.667 CB 1.405 4 residues pruned to eliminate duplicates Z: 6 5.774 1.691 0.902 0.498 0.800 0.800 CB 1.006 6 1.204 1.462 0.591 0.284 0.600 0.600 N 0.492 ? 8 1.913 1.583 -0.176 0.592 0.857 0.857 CB 0.592 ? Z: 9 9.197 1.747 0.804 0.702 0.875 0.750 CB 0.981 9 residues pruned to eliminate duplicates Z: 7 3.883 1.404 0.722 0.395 1.000 0.667 CB 0.733 Z: 6 7.384 1.448 0.969 0.755 0.800 0.400 O 1.154 6 residues pruned to eliminate duplicates Z: 9 7.403 1.543 0.604 0.664 0.875 0.750 CB 1.038 Z: 14 17.337 1.847 0.782 0.888 0.923 0.923 CB 1.140 14 residues pruned to eliminate duplicates Z: 16 11.687 1.722 0.534 0.738 0.933 0.800 CB 0.989 16 residues pruned to eliminate duplicates Z: 6 3.185 1.690 0.041 0.641 0.800 0.600 CB 0.886 6 residues pruned to eliminate duplicates Z: 9 9.485 1.331 0.662 0.909 1.000 0.500 CB 1.076 Z: 10 9.818 1.586 1.046 0.527 0.889 0.444 CB 1.105 9 residues pruned to eliminate duplicates Z: 14 12.678 1.755 0.291 0.914 1.000 0.846 CB 1.097 14 residues pruned to eliminate duplicates Z: 10 15.422 1.859 0.725 0.698 1.000 0.778 CA 1.338 10 residues pruned to eliminate duplicates Z: 13 16.759 1.624 0.878 0.899 1.000 0.833 CB 1.134 13 residues pruned to eliminate duplicates Z: 14 11.310 1.722 0.453 0.809 0.923 0.769 CB 1.038 14 residues pruned to eliminate duplicates Z: 6 3.979 1.428 0.614 0.377 0.800 0.800 CB 1.101 6 residues pruned to eliminate duplicates Z: 10 18.095 1.893 0.930 0.682 1.000 0.778 CB 1.396 10 residues pruned to eliminate duplicates Z: 18 21.856 1.849 0.749 0.821 0.941 0.706 CB 1.318 18 residues pruned to eliminate duplicates Z: 7 8.661 1.882 0.405 0.502 1.000 0.500 CA 1.334 Z: 8 9.975 1.816 1.055 0.736 1.000 0.857 CB 0.818 8 residues pruned to eliminate duplicates Z: 6 5.216 1.624 1.025 0.548 0.600 0.400 CA 1.128 6 residues pruned to eliminate duplicates Z: 9 7.698 1.696 0.329 0.820 1.000 0.875 CB 0.914 10 residues pruned to eliminate duplicates 8 1.711 1.501 0.304 0.281 0.714 0.286 N 0.592 ? Z: 17 18.423 1.834 0.588 0.925 1.000 0.938 CB 1.110 17 residues pruned to eliminate duplicates Z: 11 5.052 1.575 0.462 0.535 0.800 0.500 CB 0.838 Z: 25 14.893 1.808 0.619 0.609 0.875 0.667 CB 1.070 25 residues pruned to eliminate duplicates Z: 8 4.469 1.697 0.491 0.498 1.000 0.857 CB 0.669 Z: 14 15.496 1.778 0.967 0.612 1.000 0.846 CB 1.105 14 residues pruned to eliminate duplicates Z: 12 17.256 1.743 0.703 0.881 1.000 0.909 CB 1.269 12 residues pruned to eliminate duplicates Z: 8 4.758 1.422 0.796 0.715 1.000 0.571 CB 0.579 8 residues pruned to eliminate duplicates Z: 8 6.613 1.619 0.573 0.576 0.714 0.429 O 1.276 8 residues pruned to eliminate duplicates Z: 8 4.327 1.467 0.426 0.510 0.714 0.429 N 1.085 Z: 10 8.195 1.685 0.968 0.820 0.778 0.667 CB 0.803 10 residues pruned to eliminate duplicates Z: 6 3.593 1.418 0.575 0.334 0.800 0.400 C 1.078 Z: 28 22.522 1.708 0.725 0.630 0.963 0.704 CB 1.351 28 residues pruned to eliminate duplicates Z: 18 12.663 1.713 0.804 0.595 0.824 0.706 CB 1.102 13 residues pruned to eliminate duplicates Z: 8 4.598 1.361 0.170 0.460 1.000 0.571 CB 1.137 8 residues pruned to eliminate duplicates Z: 9 4.341 1.453 0.132 0.534 1.000 0.750 CB 0.903 Z: 10 6.509 1.651 0.562 0.769 0.778 0.556 CB 0.852 10 residues pruned to eliminate duplicates Z: 10 4.705 1.534 0.439 0.460 0.778 0.778 CB 0.952 7 residues pruned to eliminate duplicates Z: 15 13.032 1.640 0.522 0.812 1.000 0.714 CB 1.064 15 residues pruned to eliminate duplicates Z: 6 4.776 1.623 -0.045 0.628 1.000 0.800 CB 1.223 6 residues pruned to eliminate duplicates Z: 7 2.150 1.683 0.465 0.269 0.500 0.333 CB 0.926 Z: 6 3.626 1.336 0.952 0.288 0.800 0.400 CB 0.986 Z: 7 4.168 1.459 0.874 0.354 1.000 0.500 CB 0.728 Z: 8 2.613 1.309 0.646 0.283 0.714 0.286 N 0.819 Z: 18 15.685 1.737 0.884 0.567 0.882 0.706 CB 1.235 18 residues pruned to eliminate duplicates Z: 8 10.963 1.808 0.865 0.779 1.000 1.000 CB 0.960 8 residues pruned to eliminate duplicates Z: 13 3.905 1.420 0.315 0.349 0.833 0.417 CB 0.854 Z: 12 12.932 1.655 0.624 0.880 0.909 0.727 CB 1.156 12 residues pruned to eliminate duplicates Z: 11 7.972 1.593 0.415 0.824 1.000 0.800 CB 0.845 Z: 15 14.513 1.775 0.502 0.818 0.929 0.857 CB 1.189 15 residues pruned to eliminate duplicates Z: 13 14.887 1.676 0.865 0.878 1.000 0.667 CB 0.998 13 residues pruned to eliminate duplicates Z: 13 5.238 1.488 0.755 0.314 0.750 0.583 CB 0.949 Z: 8 11.018 1.881 0.477 0.630 1.000 0.857 CA 1.326 8 residues pruned to eliminate duplicates Z: 8 3.945 1.336 0.600 0.214 0.857 0.286 CB 1.141 Z: 27 7.209 1.517 0.484 0.350 0.769 0.615 CB 0.961 26 residues pruned to eliminate duplicates Z: 11 20.848 1.636 1.252 0.868 1.000 0.700 CA 1.308 11 residues pruned to eliminate duplicates Z: 13 26.793 1.942 0.971 0.836 0.917 0.750 CB 1.651 13 residues pruned to eliminate duplicates Z: 6 2.659 1.491 0.419 0.639 0.800 0.600 CB 0.617 Z: 8 5.658 1.330 0.919 0.611 0.857 0.714 N 0.880 Z: 9 8.531 1.698 0.568 0.743 1.000 0.750 CA 0.911 6 residues pruned to eliminate duplicates Z: 24 15.370 1.666 0.539 0.595 0.913 0.696 CB 1.250 14 residues pruned to eliminate duplicates Z: 13 14.833 1.625 0.611 0.889 0.917 0.667 CB 1.284 13 residues pruned to eliminate duplicates Z: 14 23.348 1.641 1.176 0.940 1.000 1.000 CB 1.259 20 residues pruned to eliminate duplicates Z: 18 8.169 1.555 0.914 0.332 0.824 0.529 CB 0.972 18 residues pruned to eliminate duplicates Z: 8 15.005 1.732 1.170 0.561 1.000 0.429 N 1.422 8 residues pruned to eliminate duplicates Z: 7 3.337 1.391 0.919 0.609 0.833 0.500 CB 0.552 7 residues pruned to eliminate duplicates Z: 8 2.304 1.462 0.275 0.435 0.714 0.571 CB 0.700 Z: 19 15.203 1.692 0.817 0.665 0.833 0.389 CB 1.200 15 residues pruned to eliminate duplicates Z: 11 10.265 1.636 0.512 0.733 1.000 0.700 CB 1.065 11 residues pruned to eliminate duplicates 6 1.514 1.530 0.124 0.405 0.600 0.600 CB 0.725 ? Z: 13 15.869 1.594 1.032 0.855 0.917 0.667 CB 1.139 13 residues pruned to eliminate duplicates Z: 7 9.112 1.370 1.206 0.673 1.000 0.667 N 1.049 7 residues pruned to eliminate duplicates Z: 6 2.413 1.496 -0.016 0.478 0.800 0.800 CB 0.936 Z: 11 2.717 1.315 0.740 0.253 0.700 0.200 CB 0.712 Z: 14 11.588 1.576 0.553 0.818 1.000 0.846 CB 0.996 12 residues pruned to eliminate duplicates Z: 13 3.759 1.602 0.121 0.311 0.750 0.500 CB 0.993 Z: 11 18.770 1.872 0.828 0.730 1.000 1.000 CA 1.410 11 residues pruned to eliminate duplicates Z: 14 7.797 1.552 0.622 0.377 0.923 0.308 CB 1.061 12 residues pruned to eliminate duplicates Z: 18 14.659 1.656 0.572 0.836 0.882 0.706 CB 1.159 18 residues pruned to eliminate duplicates Z: 7 2.882 1.452 0.872 0.710 0.833 0.833 CB 0.429 Z: 13 12.077 1.648 0.792 0.778 0.833 0.500 CB 1.108 13 residues pruned to eliminate duplicates Z: 26 14.856 1.687 0.735 0.431 0.840 0.480 N 1.298 26 residues pruned to eliminate duplicates Z: 6 3.874 1.442 0.189 0.542 0.800 0.600 N 1.213 6 residues pruned to eliminate duplicates Z: 12 4.951 1.639 0.519 0.284 0.636 0.455 CB 1.202 12 residues pruned to eliminate duplicates Z: 6 3.441 1.448 0.582 0.597 0.800 0.800 CB 0.766 Z: 14 14.355 1.688 0.397 0.890 1.000 0.923 CB 1.215 14 residues pruned to eliminate duplicates Z: 14 13.880 1.712 0.674 0.505 1.000 0.692 CA 1.336 Z: 11 5.246 1.511 0.525 0.335 0.900 0.400 CB 0.959 11 residues pruned to eliminate duplicates Z: 14 9.078 1.720 0.772 0.405 0.769 0.462 CB 1.187 14 residues pruned to eliminate duplicates Z: 7 17.704 1.930 1.134 0.701 1.000 1.000 CA 1.461 7 residues pruned to eliminate duplicates Z: 9 6.557 1.647 0.531 0.443 0.875 0.500 CB 1.114 5 residues pruned to eliminate duplicates Z: 9 7.987 1.561 0.789 0.523 0.875 0.750 CB 1.129 20 residues pruned to eliminate duplicates Z: 18 16.200 1.751 1.061 0.552 0.882 0.765 CB 1.172 18 residues pruned to eliminate duplicates Z: 37 18.670 1.732 0.646 0.552 0.861 0.417 CB 1.205 37 residues pruned to eliminate duplicates Z: 15 23.120 1.876 0.686 0.808 1.000 0.857 CB 1.493 15 residues pruned to eliminate duplicates Z: 32 21.814 1.716 0.768 0.558 0.935 0.613 CB 1.305 35 residues pruned to eliminate duplicates Z: 10 3.011 1.594 0.162 0.268 0.556 0.444 CB 1.271 5 residues pruned to eliminate duplicates Z: 16 15.644 1.702 0.548 0.897 0.933 0.600 CB 1.176 16 residues pruned to eliminate duplicates Z: 12 22.498 1.978 0.517 0.910 1.000 0.909 CA 1.603 12 residues pruned to eliminate duplicates 8 1.898 1.485 0.475 0.453 0.857 0.714 CB 0.401 ? Z: 6 7.309 1.593 0.799 0.653 0.800 0.800 N 1.236 Z: 12 9.104 1.481 0.641 0.775 0.909 0.818 CB 0.975 12 residues pruned to eliminate duplicates Z: 30 14.359 1.627 0.638 0.404 0.931 0.586 CB 1.188 30 residues pruned to eliminate duplicates Z: 10 9.772 1.688 0.449 0.886 0.889 0.889 CB 1.081 10 residues pruned to eliminate duplicates Z: 6 2.950 1.349 0.500 0.445 0.800 0.400 N 0.863 Z: 10 4.907 1.473 0.596 0.357 0.667 0.444 CB 1.218 Z: 10 9.634 1.684 0.722 0.717 0.889 0.778 CB 1.024 9 residues pruned to eliminate duplicates Z: 17 11.148 1.631 0.531 0.468 0.938 0.562 CB 1.230 13 residues pruned to eliminate duplicates Z: 10 5.038 1.478 0.754 0.249 0.778 0.444 CB 1.112 Z: 23 9.152 1.585 0.377 0.531 0.818 0.409 CB 1.060 23 residues pruned to eliminate duplicates Z: 9 3.698 1.395 0.418 0.361 0.875 0.625 CB 0.878 5 residues pruned to eliminate duplicates Z: 14 7.809 1.673 0.517 0.428 0.769 0.385 CB 1.196 14 residues pruned to eliminate duplicates Z: 13 14.273 1.742 0.796 0.807 1.000 0.583 CB 1.008 15 residues pruned to eliminate duplicates Z: 10 6.860 1.627 0.500 0.434 0.778 0.778 CB 1.290 10 residues pruned to eliminate duplicates Z: 11 6.256 1.515 0.666 0.310 0.900 0.600 N 1.075 11 residues pruned to eliminate duplicates Z: 6 5.940 1.655 0.785 0.484 0.800 0.600 CB 1.142 Z: 17 9.597 1.791 0.264 0.645 0.812 0.562 CB 1.139 17 residues pruned to eliminate duplicates Z: 7 2.978 1.605 0.140 0.361 0.833 0.333 CB 0.926 7 residues pruned to eliminate duplicates Z: 7 8.930 1.606 0.865 0.603 0.833 0.667 CA 1.324 Z: 7 4.474 1.457 0.252 0.654 0.833 0.500 CB 1.041 7 residues pruned to eliminate duplicates Z: 14 18.673 1.679 0.725 0.903 1.000 0.692 CB 1.275 14 residues pruned to eliminate duplicates Z: 9 3.446 1.582 -0.098 0.406 0.875 0.625 CB 1.078 10 residues pruned to eliminate duplicates Z: 6 10.574 1.939 0.419 0.580 1.000 0.600 CB 1.591 6 residues pruned to eliminate duplicates Z: 8 5.014 1.642 0.513 0.437 0.714 0.429 C 1.140 Z: 33 25.956 1.833 0.635 0.660 0.969 0.656 CB 1.363 37 residues pruned to eliminate duplicates Z: 17 12.565 1.758 0.363 0.878 0.875 0.750 CB 1.087 17 residues pruned to eliminate duplicates Z: 17 11.736 1.697 0.816 0.521 0.938 0.688 CB 0.995 22 residues pruned to eliminate duplicates Z: 9 5.978 1.670 0.167 0.807 1.000 0.750 CB 0.830 9 residues pruned to eliminate duplicates Z: 13 18.873 1.797 0.578 0.898 1.000 1.000 CB 1.375 13 residues pruned to eliminate duplicates Z: 15 20.427 1.848 0.544 0.806 1.000 0.857 CB 1.466 15 residues pruned to eliminate duplicates Z: 18 11.707 1.677 0.413 0.737 0.882 0.471 CB 1.098 17 residues pruned to eliminate duplicates Z: 17 10.803 1.575 0.626 0.503 0.875 0.562 CB 1.201 17 residues pruned to eliminate duplicates Z: 17 15.178 1.808 0.580 0.817 0.812 0.625 CB 1.242 17 residues pruned to eliminate duplicates Z: 14 15.445 1.684 0.825 0.866 0.846 0.692 CB 1.206 14 residues pruned to eliminate duplicates Z: 9 4.946 1.347 0.439 0.551 0.875 0.625 O 0.981 Z: 13 4.316 1.571 0.317 0.401 0.917 0.417 CB 0.729 Z: 22 14.523 1.731 0.712 0.699 0.810 0.762 CB 1.102 17 residues pruned to eliminate duplicates Z: 8 6.238 1.457 0.722 0.510 1.000 0.571 CB 0.930 Z: 14 5.848 1.568 0.453 0.414 0.846 0.385 CB 0.921 12 residues pruned to eliminate duplicates Z: 10 4.427 1.354 0.574 0.291 0.889 0.444 CB 0.985 Z: 8 6.937 1.657 0.445 0.862 1.000 0.714 CB 0.804 8 residues pruned to eliminate duplicates Z: 12 15.261 1.592 0.875 0.829 0.909 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 14 20.011 1.713 1.061 0.903 1.000 0.615 CB 1.120 13 residues pruned to eliminate duplicates 8 1.993 1.491 -0.049 0.299 0.857 0.286 CB 0.776 ? Z: 6 2.053 1.358 -0.026 0.469 0.600 0.400 C 1.195 Z: 11 6.189 1.700 0.359 0.463 0.800 0.600 CB 1.100 10 residues pruned to eliminate duplicates Z: 8 4.576 1.727 0.322 0.397 0.714 0.571 CA 1.183 8 residues pruned to eliminate duplicates Z: 15 12.232 1.687 0.750 0.576 0.929 0.643 CB 1.108 17 residues pruned to eliminate duplicates Z: 12 16.161 1.702 0.749 0.757 1.000 0.727 CB 1.302 12 residues pruned to eliminate duplicates Z: 7 2.424 1.498 0.124 0.384 0.667 0.500 CB 0.998 Z: 16 13.731 1.786 0.901 0.376 1.000 0.667 CB 1.192 16 residues pruned to eliminate duplicates Z: 11 5.001 1.672 0.478 0.367 0.700 0.600 CB 1.054 11 residues pruned to eliminate duplicates Z: 16 18.500 1.682 0.632 0.812 1.000 0.733 CB 1.326 16 residues pruned to eliminate duplicates Z: 14 13.571 1.609 0.782 0.764 1.000 0.615 CB 1.039 14 residues pruned to eliminate duplicates Z: 13 9.068 1.760 0.346 0.430 0.917 0.750 CB 1.295 13 residues pruned to eliminate duplicates Z: 8 4.811 1.571 0.272 0.285 0.857 0.429 CB 1.352 Z: 6 8.048 1.552 0.580 0.781 1.000 0.800 N 1.146 Z: 13 13.958 1.607 0.497 0.906 1.000 0.917 CB 1.192 13 residues pruned to eliminate duplicates Z: 11 13.022 1.563 0.691 0.867 0.900 0.700 CB 1.265 11 residues pruned to eliminate duplicates Z: 25 15.648 1.769 0.557 0.627 1.000 0.750 CB 1.029 30 residues pruned to eliminate duplicates Z: 11 7.436 1.392 0.875 0.467 0.900 0.300 CB 1.035 Z: 18 10.686 1.617 0.591 0.569 0.941 0.588 CB 1.001 18 residues pruned to eliminate duplicates Z: 15 12.953 1.806 0.243 0.875 1.000 0.929 CB 1.121 15 residues pruned to eliminate duplicates 6 1.774 1.394 0.257 0.512 0.600 0.400 CB 0.746 ? Z: 7 2.769 1.520 0.315 0.246 0.833 0.333 CB 0.910 Z: 9 5.269 1.461 0.765 0.361 0.750 0.500 N 1.118 9 residues pruned to eliminate duplicates Z: 7 2.360 1.283 0.339 0.367 0.667 0.333 N 0.970 Z: 9 5.096 1.574 0.516 0.438 0.750 0.375 CB 1.074 9 residues pruned to eliminate duplicates Z: 8 4.746 1.267 1.099 0.425 0.857 0.429 O 0.850 Z: 14 11.547 1.611 0.337 0.878 1.000 0.846 CB 1.079 14 residues pruned to eliminate duplicates Z: 14 8.079 1.764 0.703 0.322 0.846 0.615 CB 1.073 14 residues pruned to eliminate duplicates Z: 9 5.320 1.627 -0.077 0.610 1.000 0.750 CB 1.129 Z: 9 7.454 1.506 0.539 0.589 1.000 0.875 CB 1.044 11 residues pruned to eliminate duplicates Z: 11 10.137 1.701 0.665 0.826 0.900 0.900 CB 0.948 11 residues pruned to eliminate duplicates Z: 13 9.758 1.667 0.485 0.518 1.000 0.833 CA 1.117 12 residues pruned to eliminate duplicates Z: 14 13.906 1.687 0.382 0.874 0.923 0.846 CB 1.305 14 residues pruned to eliminate duplicates Z: 16 20.134 1.881 0.751 0.912 0.933 0.733 CB 1.197 16 residues pruned to eliminate duplicates Z: 6 3.035 1.256 0.292 0.719 1.000 0.400 CB 0.687 2 residues pruned to eliminate duplicates Z: 12 7.521 1.772 0.388 0.415 0.727 0.545 CB 1.385 12 residues pruned to eliminate duplicates Z: 7 2.665 1.298 0.441 0.309 0.833 0.500 CB 0.863 7 residues pruned to eliminate duplicates Z: 9 7.553 1.622 0.535 0.470 0.875 0.750 CB 1.263 8 residues pruned to eliminate duplicates Z: 7 7.003 1.593 0.614 0.679 0.833 0.500 CA 1.132 7 residues pruned to eliminate duplicates Z: 10 5.217 1.385 1.144 0.439 0.778 0.556 CB 0.802 7 residues pruned to eliminate duplicates Z: 7 10.556 1.523 1.181 0.675 1.000 0.667 CA 1.104 Z: 21 13.509 1.718 0.759 0.620 0.850 0.600 CB 1.050 21 residues pruned to eliminate duplicates Z: 16 12.804 1.672 0.519 0.875 1.000 0.800 CB 0.946 16 residues pruned to eliminate duplicates Z: 18 7.026 1.497 0.410 0.501 0.882 0.529 CB 0.914 9 residues pruned to eliminate duplicates Z: 33 19.697 1.803 0.603 0.571 0.906 0.750 CB 1.241 31 residues pruned to eliminate duplicates Z: 15 10.111 1.751 0.756 0.719 0.786 0.643 CB 0.918 15 residues pruned to eliminate duplicates 8 1.937 1.491 -0.239 0.318 0.714 0.571 CB 1.105 ? Z: 16 9.129 1.805 0.824 0.175 0.800 0.267 CB 1.327 10 residues pruned to eliminate duplicates Z: 18 9.455 1.566 0.918 0.270 0.824 0.588 CB 1.204 8 residues pruned to eliminate duplicates Z: 8 6.283 1.689 0.643 0.473 0.714 0.714 CB 1.231 Z: 6 2.231 1.560 0.274 0.287 1.000 0.600 CB 0.637 Z: 6 4.849 1.640 0.202 0.504 1.000 0.600 CB 1.096 6 residues pruned to eliminate duplicates Z: 7 2.418 1.337 0.489 0.433 0.667 0.500 CB 0.797 Z: 7 3.058 1.359 0.591 0.394 0.667 0.500 N 0.968 Z: 6 7.937 1.648 0.628 0.657 0.800 0.800 CB 1.430 Z: 11 17.373 1.786 0.683 0.885 1.000 0.800 CA 1.320 11 residues pruned to eliminate duplicates Z: 6 4.048 1.254 0.860 0.598 0.800 0.600 CA 0.884 Z: 13 10.049 1.731 0.521 0.528 0.917 0.667 CB 1.170 13 residues pruned to eliminate duplicates Z: 15 11.329 1.746 0.602 0.496 0.929 0.571 CB 1.170 12 residues pruned to eliminate duplicates Z: 9 2.802 1.336 0.172 0.344 0.875 0.375 CB 0.857 9 residues pruned to eliminate duplicates Z: 6 3.477 1.502 0.564 0.431 0.600 0.600 O 1.185 6 residues pruned to eliminate duplicates Z: 6 2.934 1.658 0.890 0.877 1.000 1.000 CB 0.304 Z: 8 4.602 1.360 0.537 0.346 1.000 0.714 N 0.983 Z: 6 8.750 1.590 0.825 0.719 1.000 1.000 CB 1.107 8 residues pruned to eliminate duplicates Z: 6 6.953 1.387 0.684 0.784 1.000 0.600 N 1.038 Z: 10 2.373 1.252 0.552 0.225 0.667 0.333 CB 0.843 Z: 15 3.423 1.361 0.153 0.332 0.714 0.357 CB 0.981 15 residues pruned to eliminate duplicates Z: 6 6.667 1.624 0.730 0.839 1.000 0.800 CB 0.793 Z: 6 2.068 1.253 -0.024 0.349 0.800 0.600 CA 1.113 7 1.942 1.384 0.128 0.421 0.833 0.333 CB 0.662 ? Z: 15 6.643 1.509 0.221 0.363 1.000 0.357 CB 1.117 4 residues pruned to eliminate duplicates Z: 6 3.570 1.370 0.081 0.475 1.000 0.600 CB 1.106 Z: 8 5.161 1.601 0.842 0.642 0.857 0.429 CB 0.676 8 residues pruned to eliminate duplicates 6 0.705 1.164 0.104 0.423 0.600 0.400 CB 0.443 ? Z: 22 17.993 1.729 0.873 0.480 0.905 0.619 CB 1.367 22 residues pruned to eliminate duplicates Z: 22 6.055 1.524 0.344 0.333 0.762 0.476 CB 1.016 27 residues pruned to eliminate duplicates Z: 29 12.184 1.714 0.461 0.549 0.893 0.679 CB 0.982 29 residues pruned to eliminate duplicates Z: 7 3.272 1.269 0.328 0.674 1.000 0.500 CB 0.675 7 residues pruned to eliminate duplicates Z: 6 4.268 1.563 0.236 0.578 0.800 0.600 CB 1.146 Z: 8 6.959 1.507 0.457 0.463 1.000 0.571 CB 1.243 11 residues pruned to eliminate duplicates Z: 6 6.583 1.608 0.852 0.541 0.800 0.600 CA 1.187 Z: 8 11.579 1.573 0.537 0.874 1.000 1.000 CB 1.317 17 residues pruned to eliminate duplicates Z: 6 4.155 1.687 0.441 0.393 1.000 0.400 CB 0.856 Z: 20 15.683 1.839 0.210 0.671 0.947 0.842 CB 1.457 20 residues pruned to eliminate duplicates Z: 20 13.576 1.707 0.895 0.497 0.895 0.684 CB 1.079 20 residues pruned to eliminate duplicates Z: 7 4.115 1.464 0.505 0.457 0.833 0.667 CA 0.957 Z: 48 23.389 1.744 0.621 0.521 0.915 0.532 CB 1.293 48 residues pruned to eliminate duplicates Z: 7 8.944 1.563 0.887 0.736 1.000 1.000 CB 1.002 Z: 13 6.954 1.609 0.617 0.377 0.833 0.500 CB 1.056 13 residues pruned to eliminate duplicates Z: 17 19.002 1.726 0.622 0.824 1.000 0.938 CA 1.282 17 residues pruned to eliminate duplicates Z: 9 9.229 1.565 0.684 0.743 1.000 0.875 CA 0.996 7 residues pruned to eliminate duplicates Z: 7 7.310 1.535 1.767 0.729 0.833 0.833 CB 0.686 7 residues pruned to eliminate duplicates Z: 14 13.562 1.877 0.294 0.810 0.923 0.769 CB 1.280 14 residues pruned to eliminate duplicates Z: 35 19.240 1.682 0.635 0.522 0.912 0.735 CB 1.288 35 residues pruned to eliminate duplicates Z: 21 18.166 1.766 0.843 0.601 0.900 0.600 CB 1.259 21 residues pruned to eliminate duplicates Z: 14 6.140 1.718 0.532 0.414 0.769 0.462 CB 0.920 14 residues pruned to eliminate duplicates Z: 7 3.432 1.526 0.121 0.467 0.833 0.667 CB 1.017 Z: 7 2.454 1.373 -0.023 0.361 1.000 0.833 CB 0.867 Z: 8 4.438 1.264 0.958 0.237 0.857 0.571 O 1.073 Z: 13 3.619 1.420 0.508 0.345 0.750 0.333 CB 0.770 19 residues pruned to eliminate duplicates Z: 14 14.171 1.675 0.733 0.509 0.923 0.538 CA 1.453 14 residues pruned to eliminate duplicates Z: 24 12.828 1.748 0.445 0.699 0.957 0.826 CB 0.924 16 residues pruned to eliminate duplicates Z: 21 14.977 1.705 0.600 0.488 0.950 0.650 CB 1.309 21 residues pruned to eliminate duplicates Z: 13 10.613 1.599 0.536 0.834 0.833 0.583 CB 1.122 13 residues pruned to eliminate duplicates Z: 15 7.975 1.571 0.387 0.556 0.929 0.786 CA 0.998 15 residues pruned to eliminate duplicates Z: 18 12.230 1.654 1.046 0.471 0.765 0.647 CB 1.181 18 residues pruned to eliminate duplicates Z: 11 6.844 1.620 0.361 0.454 0.900 0.600 CB 1.144 Z: 34 19.155 1.687 0.498 0.598 0.970 0.727 CB 1.240 34 residues pruned to eliminate duplicates Z: 8 7.844 1.754 0.215 0.576 1.000 0.571 CB 1.292 8 residues pruned to eliminate duplicates Z: 6 2.006 1.336 0.527 0.414 0.800 0.600 CB 0.601 Z: 36 13.848 1.699 0.309 0.476 0.886 0.571 CB 1.217 36 residues pruned to eliminate duplicates Z: 16 9.360 1.671 0.481 0.297 0.933 0.467 CB 1.312 20 residues pruned to eliminate duplicates Z: 7 6.292 1.479 1.019 0.387 1.000 0.833 CB 0.969 8 residues pruned to eliminate duplicates Z: 15 8.830 1.648 0.567 0.486 0.857 0.571 CB 1.081 15 residues pruned to eliminate duplicates Z: 7 4.496 1.333 0.511 0.729 1.000 0.667 CB 0.741 7 residues pruned to eliminate duplicates Z: 7 5.501 1.231 0.978 0.667 0.833 0.333 N 0.948 Z: 7 7.989 1.568 0.309 0.775 1.000 0.667 CB 1.247 7 residues pruned to eliminate duplicates 6 1.786 1.664 -0.252 0.234 0.800 0.400 N 1.092 ? Z: 6 4.567 1.414 0.681 0.879 1.000 0.800 CB 0.623 Z: 10 9.193 1.626 0.657 0.601 0.889 0.778 CB 1.162 10 residues pruned to eliminate duplicates Z: 8 5.096 1.677 0.316 0.584 1.000 0.571 CB 0.805 6 residues pruned to eliminate duplicates Z: 14 14.933 1.629 0.689 0.871 0.846 0.769 CB 1.297 14 residues pruned to eliminate duplicates Z: 11 8.007 1.556 0.547 0.508 0.900 0.800 CB 1.160 Z: 9 6.058 1.305 0.613 0.759 0.875 0.750 O 0.924 8 residues pruned to eliminate duplicates Z: 11 5.754 1.446 0.661 0.313 1.000 0.700 CB 0.932 Z: 10 7.803 1.483 0.560 0.589 0.889 0.778 CA 1.161 Z: 7 2.134 1.514 0.041 0.300 0.667 0.333 CB 1.037 7 residues pruned to eliminate duplicates 893 residues left after pruning, divided into chains as follows: A: 9 B: 18 C: 11 D: 43 E: 7 F: 6 G: 8 H: 11 I: 31 J: 7 K: 6 L: 14 M: 8 N: 105 O: 8 P: 7 Q: 28 R: 16 S: 8 T: 10 U: 33 V: 12 W: 15 X: 22 Y: 16 Z: 13 Z: 18 Z: 36 Z: 68 Z: 15 Z: 40 Z: 19 Z: 45 Z: 52 Z: 34 Z: 9 Z: 12 Z: 7 Z: 43 Z: 14 Z: 9 CC for partial structure against native data = 32.69 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.453, Connect. = 0.665 for dens.mod. cycle 1 = 0.300, Contrast = 0.531, Connect. = 0.692 for dens.mod. cycle 2 = 0.300, Contrast = 0.628, Connect. = 0.725 for dens.mod. cycle 3 = 0.300, Contrast = 0.644, Connect. = 0.729 for dens.mod. cycle 4 = 0.300, Contrast = 0.656, Connect. = 0.732 for dens.mod. cycle 5 = 0.300, Contrast = 0.662, Connect. = 0.734 for dens.mod. cycle 6 = 0.300, Contrast = 0.666, Connect. = 0.737 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.738 for dens.mod. cycle 8 = 0.300, Contrast = 0.670, Connect. = 0.739 for dens.mod. cycle 9 = 0.300, Contrast = 0.670, Connect. = 0.740 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3942 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1103 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 12.448 1.758 0.356 0.806 1.000 0.714 CA 1.511 B: 7 11.594 2.092 0.545 0.634 1.000 1.000 CB 1.291 C: 15 22.664 1.839 0.877 0.819 0.929 0.857 CB 1.432 D: 14 29.042 2.048 0.955 0.849 0.923 0.846 CB 1.616 15 residues pruned to eliminate duplicates E: 15 24.071 1.918 0.755 0.904 1.000 0.857 CB 1.361 15 residues pruned to eliminate duplicates F: 14 20.111 1.948 0.570 0.868 0.923 0.769 CB 1.444 G: 14 21.226 1.822 0.750 0.909 1.000 0.923 CB 1.311 H: 13 30.548 2.133 0.928 0.865 1.000 0.833 CB 1.572 14 residues pruned to eliminate duplicates I: 14 27.489 1.992 0.835 0.920 1.000 1.000 CB 1.469 13 residues pruned to eliminate duplicates J: 12 16.588 1.846 0.545 0.895 1.000 0.818 CB 1.257 K: 14 28.292 2.024 0.823 0.882 1.000 1.000 CB 1.539 14 residues pruned to eliminate duplicates L: 6 5.721 1.795 0.220 0.596 0.800 0.600 CB 1.332 M: 14 8.876 1.771 0.708 0.464 0.769 0.385 CB 1.097 9 residues pruned to eliminate duplicates N: 16 14.981 1.841 0.458 0.835 0.933 0.867 CB 1.156 O: 13 17.888 1.832 0.508 0.892 1.000 0.833 CB 1.343 13 residues pruned to eliminate duplicates P: 15 27.031 1.965 0.709 0.860 1.000 0.929 CA 1.582 13 residues pruned to eliminate duplicates Q: 21 7.378 1.834 0.400 0.328 0.800 0.500 CB 0.971 R: 7 5.270 1.608 0.489 0.315 0.833 0.500 CB 1.324 6 residues pruned to eliminate duplicates S: 8 6.068 1.989 0.065 0.698 1.000 0.571 CB 0.904 T: 12 13.673 1.822 0.696 0.900 1.000 0.818 CB 0.953 12 residues pruned to eliminate duplicates U: 15 21.383 2.044 0.911 0.626 0.929 0.643 CB 1.400 V: 24 15.702 1.854 0.678 0.540 0.826 0.652 CB 1.226 42 residues pruned to eliminate duplicates W: 8 10.976 1.952 0.705 0.619 0.857 0.714 CB 1.300 X: 15 21.659 1.885 0.721 0.747 1.000 0.857 CB 1.432 Y: 6 12.926 1.881 0.704 0.698 1.000 0.400 N 1.505 Z: 14 16.653 1.851 0.703 0.787 1.000 0.923 CB 1.139 Z: 15 13.970 1.836 0.432 0.823 1.000 0.857 CB 1.073 Z: 35 24.483 1.913 0.586 0.609 0.941 0.647 CB 1.326 15 residues pruned to eliminate duplicates Z: 13 12.487 1.855 0.382 0.924 1.000 0.917 CB 0.988 13 residues pruned to eliminate duplicates Z: 12 10.086 1.915 0.358 0.496 1.000 0.455 CB 1.174 Z: 9 9.648 1.856 0.242 0.782 0.875 0.750 CA 1.319 Z: 14 15.143 1.823 0.390 0.832 1.000 0.769 CB 1.244 14 residues pruned to eliminate duplicates Z: 9 10.182 1.873 0.663 0.555 1.000 0.750 CB 1.096 12 residues pruned to eliminate duplicates Z: 14 13.377 1.798 0.193 0.856 1.000 0.846 CB 1.275 14 residues pruned to eliminate duplicates Z: 11 11.704 1.975 0.662 0.505 0.900 0.700 CB 1.246 Z: 15 12.989 1.760 0.338 0.851 1.000 0.786 CB 1.091 15 residues pruned to eliminate duplicates Z: 14 16.196 1.863 0.540 0.782 0.846 0.538 CB 1.443 14 residues pruned to eliminate duplicates Z: 17 20.161 1.952 1.045 0.611 0.938 0.812 CB 1.212 25 residues pruned to eliminate duplicates Z: 6 3.166 1.724 0.540 0.344 0.600 0.400 CB 1.054 Z: 15 17.637 1.776 1.012 0.787 0.929 0.643 CB 1.103 14 residues pruned to eliminate duplicates Z: 16 15.492 1.709 0.541 0.820 0.867 0.533 CB 1.328 Z: 7 3.591 1.668 0.598 0.307 0.500 0.500 N 1.363 Z: 14 18.556 1.829 0.702 0.879 0.923 0.846 CA 1.299 14 residues pruned to eliminate duplicates Z: 13 23.194 1.896 0.774 0.917 0.917 0.750 CB 1.532 12 residues pruned to eliminate duplicates Z: 15 16.805 1.884 0.459 0.861 0.929 0.786 CB 1.293 16 residues pruned to eliminate duplicates Z: 7 13.454 1.828 0.443 0.782 1.000 1.000 N 1.625 7 residues pruned to eliminate duplicates Z: 13 7.799 1.863 0.493 0.337 0.750 0.417 CB 1.289 Z: 8 9.662 1.636 0.733 0.690 0.857 0.571 CB 1.262 7 residues pruned to eliminate duplicates Z: 17 19.389 1.956 0.662 0.824 0.938 0.750 CB 1.201 18 residues pruned to eliminate duplicates Z: 14 15.023 1.773 0.629 0.794 0.923 0.538 CB 1.209 14 residues pruned to eliminate duplicates Z: 15 9.399 1.785 0.535 0.367 0.857 0.429 CB 1.234 Z: 14 14.460 1.749 0.579 0.812 0.923 0.692 CB 1.199 Z: 47 20.102 1.861 0.521 0.451 0.804 0.500 CB 1.368 10 residues pruned to eliminate duplicates Z: 12 15.603 1.928 0.607 0.871 1.000 0.818 CB 1.108 13 residues pruned to eliminate duplicates Z: 8 6.464 1.520 1.030 0.413 0.714 0.571 CB 1.214 Z: 8 8.202 1.474 0.604 0.770 0.857 0.571 N 1.204 8 residues pruned to eliminate duplicates Z: 17 23.956 1.995 0.510 0.824 1.000 0.688 CB 1.502 16 residues pruned to eliminate duplicates Z: 8 14.129 1.885 0.397 0.904 1.000 1.000 CB 1.445 8 residues pruned to eliminate duplicates Z: 16 10.534 1.743 0.229 0.761 0.933 0.800 CB 1.079 16 residues pruned to eliminate duplicates Z: 12 18.043 1.868 0.991 0.778 0.818 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 7 7.848 1.874 0.552 0.247 1.000 0.500 CA 1.475 Z: 14 14.357 2.004 0.517 0.732 0.846 0.615 CB 1.256 14 residues pruned to eliminate duplicates Z: 15 16.933 1.908 0.622 0.866 0.857 0.786 CB 1.249 15 residues pruned to eliminate duplicates Z: 9 4.501 1.591 0.336 0.505 0.625 0.500 N 1.193 9 residues pruned to eliminate duplicates Z: 6 3.190 1.704 0.322 0.427 0.600 0.400 CB 1.138 7 residues pruned to eliminate duplicates Z: 38 17.447 1.760 0.623 0.552 0.811 0.568 CB 1.177 22 residues pruned to eliminate duplicates Z: 15 17.366 1.739 0.592 0.851 1.000 0.929 CB 1.241 15 residues pruned to eliminate duplicates Z: 12 14.512 1.868 0.215 0.871 0.909 0.909 CA 1.547 12 residues pruned to eliminate duplicates Z: 7 7.210 1.705 0.388 0.733 1.000 0.833 N 1.009 Z: 14 17.336 1.867 0.582 0.805 0.923 0.385 CB 1.352 14 residues pruned to eliminate duplicates Z: 16 14.481 1.835 0.340 0.849 1.000 0.733 CB 1.126 16 residues pruned to eliminate duplicates Z: 15 13.582 1.811 0.472 0.817 1.000 0.429 CB 1.034 14 residues pruned to eliminate duplicates Z: 10 7.127 2.035 0.319 0.525 0.778 0.667 CB 1.110 Z: 33 26.932 1.878 0.712 0.639 1.000 0.875 CB 1.299 19 residues pruned to eliminate duplicates Z: 16 8.512 1.608 0.506 0.456 0.800 0.400 CB 1.188 Z: 8 7.922 1.637 0.999 0.387 0.857 0.571 C 1.203 Z: 39 25.183 1.807 0.575 0.593 0.947 0.684 CB 1.386 Z: 24 20.809 1.946 0.452 0.657 0.957 0.609 CB 1.388 39 residues pruned to eliminate duplicates Z: 13 25.332 2.105 0.557 0.923 1.000 0.917 CB 1.568 Z: 10 2.605 1.636 0.368 0.168 0.556 0.222 CB 1.046 Z: 17 19.941 1.779 0.838 0.735 0.875 0.688 CB 1.410 17 residues pruned to eliminate duplicates Z: 9 9.213 1.569 0.547 0.763 0.875 0.375 N 1.214 Z: 7 11.872 1.687 0.703 0.721 1.000 0.667 CA 1.382 7 residues pruned to eliminate duplicates Z: 21 16.821 1.920 0.565 0.581 0.850 0.600 CB 1.362 21 residues pruned to eliminate duplicates Z: 7 3.410 1.637 0.100 0.404 0.833 0.667 CB 1.025 Z: 17 11.687 1.820 0.619 0.720 0.875 0.875 CB 0.929 17 residues pruned to eliminate duplicates Z: 9 6.250 1.655 0.355 0.612 0.750 0.625 N 1.182 Z: 12 12.773 1.694 0.734 0.792 1.000 0.818 CB 1.014 12 residues pruned to eliminate duplicates Z: 8 13.975 1.684 0.745 0.833 1.000 0.857 N 1.347 8 residues pruned to eliminate duplicates Z: 8 7.292 1.792 0.199 0.819 1.000 0.857 CB 0.972 8 residues pruned to eliminate duplicates Z: 16 14.508 1.870 0.472 0.799 0.933 0.867 CB 1.122 16 residues pruned to eliminate duplicates Z: 15 14.759 1.824 0.641 0.775 1.000 0.857 CB 1.034 15 residues pruned to eliminate duplicates Z: 13 16.855 1.937 0.957 0.450 0.917 0.500 CB 1.475 12 residues pruned to eliminate duplicates Z: 14 7.226 1.773 0.396 0.512 0.692 0.538 CB 1.156 9 residues pruned to eliminate duplicates Z: 15 11.114 1.709 0.499 0.503 1.000 0.643 CB 1.156 9 residues pruned to eliminate duplicates Z: 14 21.736 1.977 0.544 0.869 0.923 0.615 CB 1.562 15 residues pruned to eliminate duplicates Z: 10 7.954 1.644 0.344 0.513 0.889 0.556 CB 1.333 Z: 15 21.916 1.751 0.725 0.881 1.000 0.714 CA 1.404 15 residues pruned to eliminate duplicates Z: 7 4.460 1.996 0.129 0.378 0.667 0.667 CB 1.380 6 residues pruned to eliminate duplicates Z: 15 17.576 1.869 0.533 0.776 0.929 0.857 CB 1.384 15 residues pruned to eliminate duplicates Z: 15 10.806 1.630 0.579 0.533 0.929 0.571 CA 1.170 13 residues pruned to eliminate duplicates Z: 17 20.776 1.593 0.942 0.834 0.938 0.812 CB 1.342 Z: 11 11.856 1.638 0.556 0.796 1.000 0.700 CB 1.135 11 residues pruned to eliminate duplicates Z: 7 10.562 1.506 0.865 0.778 1.000 0.667 N 1.202 7 residues pruned to eliminate duplicates Z: 9 5.811 1.646 0.134 0.493 0.875 0.875 CB 1.267 Z: 13 15.149 1.726 0.560 0.867 0.917 0.500 CB 1.296 Z: 7 3.859 1.551 0.732 0.314 0.667 0.333 O 1.081 Z: 15 9.677 1.781 0.464 0.451 0.857 0.643 CB 1.217 Z: 12 10.846 1.724 0.328 0.582 1.000 0.727 CB 1.320 12 residues pruned to eliminate duplicates Z: 43 18.160 1.845 0.579 0.484 0.833 0.476 CB 1.173 43 residues pruned to eliminate duplicates Z: 14 15.773 1.758 0.826 0.835 0.923 0.846 CB 1.106 14 residues pruned to eliminate duplicates Z: 13 6.691 1.707 0.269 0.464 0.750 0.417 CB 1.234 13 residues pruned to eliminate duplicates Z: 18 9.534 1.757 0.437 0.446 0.824 0.588 CB 1.176 18 residues pruned to eliminate duplicates Z: 11 13.278 1.869 0.896 0.585 1.000 0.700 CB 1.092 Z: 25 23.638 1.906 0.454 0.695 1.000 0.833 CB 1.457 25 residues pruned to eliminate duplicates Z: 8 5.788 1.866 0.655 0.656 0.857 0.714 CB 0.715 Z: 11 13.336 1.854 0.480 0.521 1.000 0.600 CB 1.505 16 residues pruned to eliminate duplicates Z: 11 12.499 1.706 0.720 0.864 1.000 0.900 CB 0.988 Z: 32 16.056 1.868 0.492 0.398 0.871 0.419 CB 1.322 25 residues pruned to eliminate duplicates Z: 12 14.091 1.819 0.349 0.895 1.000 0.909 CB 1.242 Z: 17 6.694 1.675 0.625 0.246 0.750 0.438 CB 1.099 17 residues pruned to eliminate duplicates Z: 15 13.579 1.650 0.699 0.521 1.000 0.786 CA 1.267 15 residues pruned to eliminate duplicates Z: 22 7.763 1.827 0.462 0.328 0.762 0.524 CB 1.005 20 residues pruned to eliminate duplicates Z: 6 2.861 1.612 0.374 0.296 0.600 0.600 CB 1.209 Z: 9 8.424 1.640 0.881 0.583 1.000 0.750 CB 0.891 Z: 13 17.536 1.748 0.587 0.861 1.000 0.667 CB 1.341 13 residues pruned to eliminate duplicates Z: 17 19.649 1.994 0.488 0.840 1.000 0.750 CB 1.236 17 residues pruned to eliminate duplicates Z: 10 3.832 1.707 -0.001 0.456 0.778 0.556 CB 1.008 Z: 9 13.156 1.796 0.591 0.821 1.000 0.875 CB 1.232 9 residues pruned to eliminate duplicates Z: 8 8.835 1.787 0.928 0.662 0.857 0.857 CB 0.973 Z: 15 14.783 1.718 0.448 0.740 0.857 0.786 CB 1.494 15 residues pruned to eliminate duplicates Z: 11 11.688 1.817 0.689 0.730 0.800 0.500 CB 1.224 11 residues pruned to eliminate duplicates Z: 12 15.359 1.812 0.677 0.812 0.818 0.818 CB 1.420 12 residues pruned to eliminate duplicates Z: 21 21.873 2.062 0.748 0.616 0.900 0.550 CB 1.351 16 residues pruned to eliminate duplicates Z: 11 6.933 1.710 0.708 0.399 0.700 0.500 CB 1.193 Z: 11 10.552 1.849 0.263 0.578 1.000 0.700 CB 1.325 12 residues pruned to eliminate duplicates Z: 13 24.857 1.903 0.926 0.933 1.000 0.917 CB 1.367 13 residues pruned to eliminate duplicates Z: 14 18.496 1.777 0.684 0.910 1.000 0.769 CB 1.216 12 residues pruned to eliminate duplicates Z: 8 7.010 1.610 0.299 0.637 1.000 0.714 CB 1.114 Z: 17 9.847 1.779 0.604 0.426 0.875 0.438 CB 1.064 17 residues pruned to eliminate duplicates Z: 14 13.902 1.857 0.253 0.873 1.000 0.846 CB 1.207 14 residues pruned to eliminate duplicates Z: 8 11.303 1.766 0.812 0.637 0.857 0.286 N 1.370 8 residues pruned to eliminate duplicates Z: 7 5.003 1.684 0.403 0.403 0.833 0.500 CB 1.149 Z: 12 10.441 1.658 0.493 0.681 0.818 0.455 N 1.317 12 residues pruned to eliminate duplicates Z: 11 19.417 2.039 0.678 0.847 1.000 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 8 5.146 1.622 0.639 0.300 0.714 0.429 CA 1.280 8 residues pruned to eliminate duplicates Z: 16 17.997 1.797 0.680 0.771 0.867 0.733 CB 1.397 15 residues pruned to eliminate duplicates Z: 15 9.952 1.636 0.495 0.805 0.857 0.500 CB 0.972 15 residues pruned to eliminate duplicates Z: 23 8.152 1.750 0.205 0.448 0.727 0.500 CB 1.196 23 residues pruned to eliminate duplicates Z: 10 6.195 1.577 0.613 0.541 1.000 0.778 CB 0.780 Z: 14 24.634 1.995 0.880 0.877 0.923 0.615 CB 1.433 14 residues pruned to eliminate duplicates Z: 7 4.555 1.713 0.495 0.410 0.833 0.333 CB 0.957 Z: 28 19.293 1.926 0.690 0.452 0.889 0.556 CB 1.348 28 residues pruned to eliminate duplicates Z: 20 9.458 1.813 0.727 0.465 0.737 0.579 CB 0.975 Z: 8 6.849 1.438 0.739 0.631 1.000 0.571 CB 0.915 7 residues pruned to eliminate duplicates Z: 14 19.017 1.736 0.687 0.856 1.000 0.692 CB 1.328 13 residues pruned to eliminate duplicates Z: 7 12.568 1.704 1.301 0.685 0.833 0.667 N 1.325 Z: 8 12.033 1.726 0.586 0.788 1.000 0.857 CA 1.290 8 residues pruned to eliminate duplicates Z: 16 18.223 1.814 0.681 0.840 1.000 0.800 CB 1.152 16 residues pruned to eliminate duplicates Z: 25 16.312 1.914 0.869 0.610 0.750 0.542 CB 1.118 25 residues pruned to eliminate duplicates Z: 8 6.651 1.655 0.443 0.533 0.857 0.571 CB 1.189 7 residues pruned to eliminate duplicates Z: 8 10.042 1.978 0.969 0.573 0.857 0.714 CB 1.060 Z: 13 17.663 1.861 0.840 0.654 1.000 0.667 CB 1.290 13 residues pruned to eliminate duplicates Z: 17 16.744 1.814 0.502 0.804 0.875 0.625 CB 1.346 17 residues pruned to eliminate duplicates Z: 13 25.434 2.104 0.674 0.862 1.000 0.917 CB 1.530 13 residues pruned to eliminate duplicates Z: 23 8.790 1.665 0.583 0.320 0.727 0.409 CB 1.192 26 residues pruned to eliminate duplicates Z: 14 12.595 1.773 0.200 0.863 1.000 0.846 CB 1.205 14 residues pruned to eliminate duplicates Z: 10 7.541 1.735 1.110 0.455 0.778 0.556 CB 0.924 Z: 13 14.347 1.760 0.467 0.867 1.000 0.833 CB 1.173 13 residues pruned to eliminate duplicates Z: 7 7.044 1.608 0.705 0.590 0.833 0.500 CB 1.155 7 residues pruned to eliminate duplicates Z: 19 11.404 1.740 0.455 0.511 0.889 0.444 CB 1.182 12 residues pruned to eliminate duplicates Z: 8 12.695 1.675 0.464 0.892 1.000 1.000 N 1.406 8 residues pruned to eliminate duplicates Z: 7 3.071 1.749 -0.156 0.788 1.000 0.833 CB 0.659 Z: 6 4.215 1.882 0.287 0.613 0.800 0.800 CB 0.874 6 residues pruned to eliminate duplicates Z: 14 7.847 1.776 0.663 0.343 0.769 0.385 CB 1.136 12 residues pruned to eliminate duplicates Z: 14 14.658 1.790 0.767 0.547 0.923 0.769 CB 1.331 14 residues pruned to eliminate duplicates Z: 14 7.753 1.559 0.300 0.487 0.846 0.462 CB 1.271 Z: 9 8.506 1.726 0.835 0.520 0.875 0.750 CB 1.064 8 residues pruned to eliminate duplicates Z: 8 5.980 1.788 0.218 0.605 0.857 0.714 CB 1.096 7 residues pruned to eliminate duplicates Z: 16 10.905 1.848 0.795 0.554 0.800 0.600 CB 1.007 Z: 17 13.877 1.832 0.519 0.778 1.000 0.812 CB 0.976 17 residues pruned to eliminate duplicates Z: 16 14.416 1.725 0.429 0.857 1.000 0.867 CB 1.113 16 residues pruned to eliminate duplicates Z: 14 14.563 1.576 0.602 0.843 1.000 0.923 CB 1.192 Z: 7 5.417 1.792 0.243 0.533 0.833 0.667 CB 1.153 Z: 6 3.507 1.709 0.280 0.637 1.000 0.600 CB 0.630 Z: 17 10.470 1.887 0.528 0.417 0.750 0.625 CB 1.320 19 residues pruned to eliminate duplicates Z: 14 10.653 1.851 0.423 0.385 0.923 0.462 CB 1.374 14 residues pruned to eliminate duplicates Z: 8 8.096 1.871 0.542 0.551 0.857 0.571 CB 1.177 8 residues pruned to eliminate duplicates Z: 7 6.213 1.614 0.547 0.848 0.667 0.333 CB 1.130 7 residues pruned to eliminate duplicates Z: 7 8.113 1.718 0.357 0.855 1.000 0.667 CB 1.048 9 residues pruned to eliminate duplicates Z: 7 3.914 1.411 0.483 0.637 0.667 0.667 CB 1.008 Z: 13 15.897 1.771 0.499 0.910 1.000 0.833 CB 1.226 13 residues pruned to eliminate duplicates Z: 9 5.994 1.717 0.225 0.490 0.875 0.625 CB 1.164 Z: 9 6.631 1.330 0.882 0.838 0.750 0.625 CB 0.934 8 residues pruned to eliminate duplicates Z: 18 14.371 1.792 0.576 0.505 0.882 0.588 CB 1.391 13 residues pruned to eliminate duplicates Z: 6 3.516 1.550 0.176 0.407 1.000 0.600 CB 0.951 Z: 7 3.733 1.282 0.347 0.672 0.833 0.833 CB 0.904 Z: 14 5.040 1.465 0.681 0.187 0.692 0.385 CA 1.193 Z: 10 7.676 1.750 0.412 0.333 1.000 0.667 N 1.242 10 residues pruned to eliminate duplicates Z: 17 14.469 1.786 0.611 0.587 0.938 0.625 CB 1.233 16 residues pruned to eliminate duplicates Z: 17 20.805 1.987 0.389 0.870 1.000 0.938 CB 1.376 17 residues pruned to eliminate duplicates Z: 11 8.745 1.590 0.417 0.469 1.000 0.700 CB 1.266 10 residues pruned to eliminate duplicates Z: 15 15.741 1.833 0.687 0.734 1.000 0.714 CB 1.103 15 residues pruned to eliminate duplicates Z: 11 12.447 1.959 0.491 0.529 1.000 0.700 CB 1.309 11 residues pruned to eliminate duplicates Z: 11 3.121 1.550 0.311 0.429 0.700 0.400 CB 0.746 8 residues pruned to eliminate duplicates Z: 14 19.682 1.873 0.409 0.866 0.923 0.769 CB 1.640 14 residues pruned to eliminate duplicates Z: 9 9.133 1.762 0.368 0.747 0.875 0.500 CB 1.227 9 residues pruned to eliminate duplicates Z: 13 11.105 1.617 0.759 0.790 1.000 0.833 CB 0.874 Z: 9 7.388 1.856 0.625 0.712 0.875 0.750 CB 0.816 9 residues pruned to eliminate duplicates Z: 14 17.292 1.725 0.770 0.835 1.000 0.692 CB 1.177 14 residues pruned to eliminate duplicates Z: 13 4.700 1.620 0.272 0.363 0.750 0.583 CB 1.017 Z: 9 4.218 1.506 0.188 0.388 0.875 0.875 O 1.073 9 residues pruned to eliminate duplicates Z: 9 11.148 1.612 1.083 0.713 1.000 0.625 CB 0.967 9 residues pruned to eliminate duplicates Z: 15 14.667 1.773 0.483 0.796 0.857 0.643 CB 1.342 15 residues pruned to eliminate duplicates Z: 6 4.434 1.533 0.127 0.461 1.000 1.000 CA 1.193 7 residues pruned to eliminate duplicates Z: 8 6.970 1.527 0.525 0.669 1.000 0.857 CB 0.968 Z: 10 3.488 1.737 0.326 0.332 0.667 0.556 CB 0.909 10 residues pruned to eliminate duplicates Z: 8 11.145 2.031 0.268 0.720 1.000 0.857 CA 1.341 8 residues pruned to eliminate duplicates Z: 7 12.481 1.828 0.457 0.779 1.000 0.667 N 1.496 7 residues pruned to eliminate duplicates Z: 6 5.791 1.562 0.216 0.699 1.000 0.600 CA 1.137 8 residues pruned to eliminate duplicates Z: 13 17.827 1.708 0.690 0.827 1.000 0.667 CB 1.343 13 residues pruned to eliminate duplicates Z: 9 12.240 1.787 0.742 0.852 1.000 1.000 CB 1.028 6 residues pruned to eliminate duplicates Z: 8 10.661 1.990 0.521 0.582 1.000 0.571 CB 1.230 8 residues pruned to eliminate duplicates Z: 14 20.471 2.049 0.796 0.614 1.000 0.769 CB 1.384 14 residues pruned to eliminate duplicates Z: 13 8.333 1.707 0.443 0.391 0.917 0.583 CB 1.197 11 residues pruned to eliminate duplicates Z: 16 12.977 1.644 0.475 0.879 1.000 1.000 CB 1.002 16 residues pruned to eliminate duplicates Z: 10 12.026 1.753 0.490 0.877 0.889 0.778 CB 1.254 9 residues pruned to eliminate duplicates Z: 12 7.016 1.480 0.744 0.513 0.727 0.636 CB 1.112 10 residues pruned to eliminate duplicates Z: 7 10.566 1.896 0.220 0.655 1.000 0.833 CA 1.615 7 residues pruned to eliminate duplicates Z: 14 8.558 1.708 0.783 0.439 0.692 0.462 CB 1.199 14 residues pruned to eliminate duplicates Z: 8 3.805 1.581 0.238 0.331 0.714 0.571 CB 1.239 Z: 16 18.152 1.801 0.574 0.888 1.000 0.800 CB 1.191 15 residues pruned to eliminate duplicates Z: 11 6.332 1.514 1.005 0.458 0.900 0.500 CB 0.765 Z: 8 4.302 1.829 0.149 0.361 0.857 0.429 CB 1.047 Z: 10 7.162 1.942 0.196 0.436 0.778 0.667 CB 1.411 10 residues pruned to eliminate duplicates Z: 15 14.083 1.826 0.288 0.884 1.000 0.857 CB 1.157 15 residues pruned to eliminate duplicates Z: 6 5.980 1.797 0.513 0.582 0.800 0.800 CB 1.136 6 residues pruned to eliminate duplicates Z: 31 10.215 1.647 0.537 0.386 0.700 0.400 CB 1.187 18 residues pruned to eliminate duplicates Z: 7 7.128 1.535 0.770 0.521 0.833 0.833 O 1.258 Z: 9 3.889 1.410 0.310 0.676 1.000 0.500 CB 0.633 Z: 11 7.098 1.700 0.519 0.491 0.900 0.800 CB 0.975 Z: 10 6.175 1.630 0.306 0.526 0.889 0.667 CB 1.060 Z: 8 3.394 1.539 0.604 0.243 0.857 0.429 CB 0.816 8 residues pruned to eliminate duplicates Z: 6 8.824 1.592 0.350 0.834 1.000 0.800 O 1.376 6 residues pruned to eliminate duplicates Z: 21 13.604 1.841 0.754 0.479 0.850 0.600 CB 1.132 36 residues pruned to eliminate duplicates Z: 11 11.524 1.771 0.951 0.464 0.900 0.400 CA 1.215 11 residues pruned to eliminate duplicates Z: 9 5.894 1.475 0.369 0.732 0.875 0.500 CB 0.957 9 residues pruned to eliminate duplicates Z: 7 7.170 1.779 0.554 0.499 0.833 0.667 N 1.272 7 residues pruned to eliminate duplicates Z: 12 17.568 1.916 0.678 0.853 0.818 0.636 CB 1.488 12 residues pruned to eliminate duplicates Z: 6 2.876 1.421 0.181 0.559 1.000 0.400 CB 0.724 Z: 9 6.763 1.746 0.226 0.496 0.875 0.625 CB 1.282 8 residues pruned to eliminate duplicates Z: 6 6.340 1.514 0.965 0.721 0.800 0.600 CB 0.975 Z: 14 15.009 1.627 0.788 0.836 0.923 0.615 CB 1.161 14 residues pruned to eliminate duplicates Z: 13 15.098 1.704 0.609 0.797 1.000 0.750 CB 1.225 13 residues pruned to eliminate duplicates Z: 6 6.974 1.767 0.481 0.564 0.800 0.000 CB 1.399 Z: 7 15.864 1.927 0.628 0.855 1.000 0.833 CB 1.524 7 residues pruned to eliminate duplicates Z: 14 14.847 1.883 0.327 0.890 1.000 0.846 CB 1.186 15 residues pruned to eliminate duplicates Z: 13 17.167 1.721 0.815 0.886 1.000 0.750 CB 1.144 13 residues pruned to eliminate duplicates Z: 10 12.815 1.983 0.749 0.677 1.000 0.778 CB 1.046 15 residues pruned to eliminate duplicates Z: 12 13.808 1.815 0.540 0.848 0.909 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 16 16.230 1.887 0.554 0.770 0.933 0.867 CB 1.206 16 residues pruned to eliminate duplicates Z: 13 10.209 1.689 0.464 0.822 1.000 0.833 CB 0.902 13 residues pruned to eliminate duplicates Z: 10 13.380 1.806 0.731 0.833 0.889 0.556 CB 1.204 10 residues pruned to eliminate duplicates Z: 6 6.758 1.764 0.550 0.633 0.800 0.600 CB 1.219 Z: 7 4.324 1.752 -0.078 0.510 0.833 0.500 CB 1.299 Z: 11 11.731 1.835 0.485 0.627 1.000 0.700 CB 1.207 11 residues pruned to eliminate duplicates Z: 10 4.671 1.674 0.116 0.463 0.778 0.556 CB 1.112 8 residues pruned to eliminate duplicates Z: 14 10.789 1.834 0.156 0.816 1.000 0.769 CB 1.073 14 residues pruned to eliminate duplicates Z: 8 13.758 1.825 0.958 0.583 1.000 0.857 CB 1.343 9 residues pruned to eliminate duplicates Z: 11 11.807 1.634 1.030 0.502 0.800 0.600 O 1.404 11 residues pruned to eliminate duplicates Z: 8 12.919 1.847 0.729 0.671 0.857 0.571 N 1.524 8 residues pruned to eliminate duplicates Z: 14 7.259 1.665 0.519 0.443 0.923 0.615 CB 0.914 Z: 13 11.965 1.781 0.163 0.919 0.917 0.833 CB 1.283 13 residues pruned to eliminate duplicates Z: 17 9.617 1.717 0.600 0.375 0.812 0.500 CB 1.230 12 residues pruned to eliminate duplicates Z: 17 18.899 1.925 0.689 0.821 1.000 0.688 CB 1.100 17 residues pruned to eliminate duplicates Z: 12 16.372 1.751 0.552 0.865 1.000 0.818 CB 1.331 12 residues pruned to eliminate duplicates Z: 9 8.130 1.766 0.781 0.623 0.875 0.750 CB 0.930 10 residues pruned to eliminate duplicates Z: 24 11.928 1.810 0.828 0.428 0.696 0.391 CB 1.164 33 residues pruned to eliminate duplicates Z: 14 14.039 1.707 0.644 0.806 0.923 0.692 CB 1.151 14 residues pruned to eliminate duplicates Z: 13 8.086 1.638 0.620 0.413 0.833 0.500 CB 1.156 13 residues pruned to eliminate duplicates Z: 9 9.738 1.569 0.480 0.730 1.000 0.500 CB 1.205 9 residues pruned to eliminate duplicates Z: 6 8.079 1.401 0.801 0.798 1.000 0.600 CB 1.103 Z: 13 8.628 1.682 0.793 0.436 0.917 0.750 CB 0.963 12 residues pruned to eliminate duplicates Z: 7 10.095 1.797 0.683 0.665 1.000 0.833 CB 1.170 Z: 11 11.620 1.913 0.820 0.639 1.000 0.800 CB 0.927 11 residues pruned to eliminate duplicates Z: 14 12.875 1.671 0.193 0.868 1.000 0.846 CB 1.309 14 residues pruned to eliminate duplicates Z: 7 4.283 1.663 -0.032 0.500 1.000 0.833 CB 1.087 Z: 6 8.133 1.317 1.220 0.770 1.000 0.800 O 0.980 Z: 8 13.148 2.132 0.228 0.715 1.000 0.857 CA 1.562 7 residues pruned to eliminate duplicates Z: 13 12.026 1.778 0.524 0.782 0.833 0.667 CB 1.199 13 residues pruned to eliminate duplicates Z: 8 7.330 1.768 0.835 0.586 1.000 0.714 CB 0.786 8 residues pruned to eliminate duplicates Z: 9 14.177 1.791 0.682 0.698 1.000 0.875 CA 1.390 9 residues pruned to eliminate duplicates Z: 10 4.771 1.684 0.499 0.308 0.778 0.556 CB 1.002 10 residues pruned to eliminate duplicates Z: 14 5.633 1.683 0.291 0.438 0.769 0.462 CB 0.997 Z: 7 4.332 1.638 0.247 0.519 1.000 0.667 CB 0.850 7 residues pruned to eliminate duplicates Z: 13 14.979 1.749 0.553 0.849 0.917 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 12 5.975 1.766 0.714 0.271 0.909 0.455 CB 0.849 Z: 8 3.850 1.739 0.399 0.213 0.714 0.571 CB 1.175 6 residues pruned to eliminate duplicates Z: 13 17.508 1.886 0.818 0.852 0.833 0.667 CB 1.309 13 residues pruned to eliminate duplicates Z: 10 4.908 1.710 0.250 0.477 0.889 0.556 CB 0.882 Z: 17 13.301 1.719 0.374 0.886 0.938 0.750 CB 1.083 17 residues pruned to eliminate duplicates Z: 9 5.046 1.683 0.541 0.210 0.750 0.500 CB 1.292 9 residues pruned to eliminate duplicates Z: 8 3.781 1.635 0.199 0.213 0.857 0.429 CB 1.192 Z: 14 6.492 1.502 0.473 0.376 0.846 0.385 CB 1.098 Z: 14 17.268 1.729 0.630 0.892 1.000 1.000 CB 1.220 14 residues pruned to eliminate duplicates 6 0.777 1.614 0.437 0.830 0.600 0.600 CB 0.188 ? Z: 14 8.198 1.781 0.606 0.551 0.846 0.615 CB 0.893 14 residues pruned to eliminate duplicates Z: 24 10.119 1.801 0.764 0.348 0.739 0.478 CB 1.060 23 residues pruned to eliminate duplicates 9 1.843 1.451 0.686 0.337 0.500 0.375 CB 0.637 ? Z: 7 8.812 1.862 0.209 0.725 0.833 0.500 CA 1.565 7 residues pruned to eliminate duplicates Z: 18 21.367 1.929 0.910 0.847 0.941 0.647 CB 1.109 18 residues pruned to eliminate duplicates Z: 7 3.851 1.640 0.349 0.504 0.833 0.667 CB 0.849 Z: 8 4.577 1.640 0.205 0.540 1.000 0.714 CB 0.842 Z: 12 14.898 2.003 0.685 0.697 1.000 0.909 CB 1.112 12 residues pruned to eliminate duplicates Z: 12 13.066 1.720 0.515 0.821 0.909 0.636 CB 1.259 12 residues pruned to eliminate duplicates Z: 9 2.232 1.387 0.561 0.184 0.750 0.375 CB 0.710 Z: 7 5.117 1.730 0.713 0.609 0.667 0.333 CB 0.953 Z: 8 5.983 1.664 0.276 0.598 0.714 0.429 N 1.358 8 residues pruned to eliminate duplicates Z: 6 4.635 1.561 0.038 0.753 1.000 0.600 CA 1.021 6 residues pruned to eliminate duplicates Z: 6 6.977 1.507 0.443 0.709 1.000 0.800 CB 1.187 5 residues pruned to eliminate duplicates Z: 13 12.631 1.833 0.682 0.807 0.917 0.750 CB 0.988 13 residues pruned to eliminate duplicates Z: 18 8.502 1.686 0.527 0.422 0.882 0.647 CB 0.984 18 residues pruned to eliminate duplicates Z: 7 3.003 1.631 0.305 0.491 0.667 0.500 CB 0.872 7 residues pruned to eliminate duplicates Z: 8 3.741 1.452 0.008 0.724 1.000 1.000 CB 0.789 13 residues pruned to eliminate duplicates Z: 6 3.328 1.553 0.135 0.470 0.800 0.600 CB 1.088 Z: 8 11.078 1.874 0.538 0.839 1.000 0.857 CB 1.085 8 residues pruned to eliminate duplicates Z: 10 5.157 1.717 0.400 0.431 0.778 0.444 CB 0.987 9 residues pruned to eliminate duplicates Z: 6 2.683 1.467 0.802 0.299 0.800 0.600 N 0.710 Z: 7 6.243 1.743 0.225 0.624 1.000 0.500 CB 1.062 9 residues pruned to eliminate duplicates Z: 16 14.939 1.887 0.328 0.803 1.000 0.800 CB 1.180 16 residues pruned to eliminate duplicates Z: 7 3.626 1.598 0.759 0.325 0.667 0.500 CB 0.958 Z: 8 4.080 1.532 0.401 0.586 0.857 0.571 CB 0.772 Z: 8 4.737 1.466 0.596 0.442 0.714 0.571 C 1.137 Z: 9 10.568 1.773 0.851 0.484 0.875 0.750 N 1.322 9 residues pruned to eliminate duplicates Z: 8 5.973 1.559 0.759 0.508 1.000 0.429 CB 0.817 Z: 6 6.952 1.494 0.695 0.749 0.800 0.600 O 1.229 Z: 14 17.330 1.655 0.846 0.825 1.000 0.769 CB 1.188 14 residues pruned to eliminate duplicates Z: 10 3.827 1.676 -0.043 0.455 0.889 0.556 CB 0.937 Z: 12 24.832 2.023 1.223 0.670 1.000 0.909 CB 1.423 13 residues pruned to eliminate duplicates Z: 7 3.279 1.472 0.180 0.371 0.833 0.500 CB 1.061 7 1.974 1.405 0.344 0.398 0.667 0.667 CB 0.713 ? 6 1.403 1.176 0.251 0.266 0.800 0.400 C 0.695 ? Z: 18 5.962 1.637 0.308 0.230 0.765 0.353 CB 1.209 7 residues pruned to eliminate duplicates Z: 7 10.910 1.581 0.511 0.836 1.000 0.667 CB 1.394 8 residues pruned to eliminate duplicates Z: 7 3.647 1.371 1.081 0.457 1.000 0.667 CB 0.545 Z: 16 24.586 2.011 0.672 0.787 1.000 0.733 CB 1.467 17 residues pruned to eliminate duplicates Z: 16 4.986 1.387 0.270 0.436 0.867 0.467 CB 0.901 Z: 6 6.456 1.395 1.050 0.407 1.000 0.400 N 1.114 10 residues pruned to eliminate duplicates Z: 6 4.383 1.790 0.060 0.422 0.800 0.400 CB 1.400 6 residues pruned to eliminate duplicates Z: 6 5.146 1.628 0.091 0.710 1.000 0.600 CB 1.070 Z: 10 5.214 1.508 0.502 0.479 0.889 0.667 CB 0.882 Z: 10 4.536 1.526 0.079 0.711 1.000 0.778 CB 0.758 Z: 6 4.679 1.748 0.186 0.464 0.800 0.600 CB 1.309 6 residues pruned to eliminate duplicates Z: 6 4.839 1.384 0.515 0.694 1.000 0.600 N 0.865 Z: 26 16.186 1.929 0.564 0.398 0.920 0.560 CB 1.298 26 residues pruned to eliminate duplicates Z: 14 14.073 1.728 0.545 0.759 0.923 0.615 CB 1.258 14 residues pruned to eliminate duplicates Z: 11 9.454 1.596 0.640 0.839 0.800 0.800 CB 1.066 11 residues pruned to eliminate duplicates Z: 32 16.041 1.875 0.779 0.480 0.839 0.645 CB 1.051 31 residues pruned to eliminate duplicates Z: 18 10.629 1.828 0.342 0.463 0.824 0.588 CB 1.325 18 residues pruned to eliminate duplicates Z: 6 3.290 1.698 -0.044 0.573 1.000 0.600 CB 0.845 Z: 14 18.113 1.734 0.762 0.841 0.923 0.846 CB 1.328 14 residues pruned to eliminate duplicates Z: 11 6.929 1.795 0.258 0.471 1.000 0.600 CB 1.000 11 residues pruned to eliminate duplicates Z: 18 15.582 1.711 0.515 0.846 0.941 0.765 CB 1.151 18 residues pruned to eliminate duplicates Z: 11 22.202 1.896 1.102 0.912 0.900 0.700 CB 1.386 Z: 8 2.786 1.400 0.261 0.536 0.571 0.286 O 1.008 Z: 9 9.736 1.730 0.463 0.845 1.000 0.875 CB 1.011 12 residues pruned to eliminate duplicates Z: 7 2.822 1.254 0.603 0.408 0.667 0.500 CB 0.947 Z: 8 6.059 1.482 -0.031 0.761 1.000 0.857 CB 1.264 8 residues pruned to eliminate duplicates Z: 6 3.367 1.542 0.471 0.725 0.800 0.400 CB 0.678 Z: 10 3.552 1.409 0.448 0.309 0.778 0.444 N 0.922 Z: 6 4.579 1.616 0.469 0.625 0.800 0.600 CB 0.959 6 residues pruned to eliminate duplicates Z: 15 14.781 1.662 0.715 0.734 1.000 0.500 CB 1.124 16 residues pruned to eliminate duplicates Z: 6 3.762 1.437 0.180 0.695 1.000 0.600 CB 0.831 Z: 10 5.373 1.824 0.029 0.538 0.889 0.778 CB 1.034 9 residues pruned to eliminate duplicates Z: 26 15.214 1.857 0.538 0.505 0.840 0.560 CB 1.262 26 residues pruned to eliminate duplicates Z: 15 18.232 1.846 0.494 0.787 1.000 0.857 CB 1.373 15 residues pruned to eliminate duplicates Z: 11 18.409 1.812 1.016 0.834 1.000 0.700 CA 1.194 10 residues pruned to eliminate duplicates Z: 7 6.214 1.788 0.407 0.424 0.833 0.667 CB 1.310 Z: 24 11.362 1.764 0.752 0.346 0.783 0.391 CB 1.158 24 residues pruned to eliminate duplicates Z: 13 8.229 1.794 0.829 0.489 0.833 0.417 CB 0.878 13 residues pruned to eliminate duplicates Z: 13 10.054 1.735 0.346 0.466 0.917 0.667 CB 1.403 20 residues pruned to eliminate duplicates Z: 7 2.357 1.382 0.453 0.229 0.667 0.500 CA 0.986 Z: 31 19.956 1.700 0.593 0.593 1.000 0.767 CB 1.231 31 residues pruned to eliminate duplicates Z: 15 14.919 1.690 0.590 0.838 0.929 0.857 CB 1.194 15 residues pruned to eliminate duplicates Z: 11 9.431 1.587 0.943 0.494 0.900 0.700 CB 1.081 Z: 9 4.760 1.632 0.366 0.276 0.750 0.375 CA 1.298 5 residues pruned to eliminate duplicates Z: 10 4.642 1.652 0.390 0.343 0.778 0.222 CB 1.028 Z: 6 2.192 1.145 0.058 0.744 1.000 0.600 CB 0.650 Z: 31 18.301 1.846 0.529 0.537 0.967 0.600 CB 1.181 31 residues pruned to eliminate duplicates Z: 10 10.131 1.562 0.588 0.690 1.000 0.778 N 1.144 Z: 14 13.646 1.876 0.419 0.869 0.923 0.846 CB 1.125 14 residues pruned to eliminate duplicates Z: 6 4.027 1.516 0.844 0.296 0.800 0.600 CB 1.011 7 residues pruned to eliminate duplicates Z: 10 6.526 1.676 0.554 0.572 0.889 0.667 CB 0.877 7 residues pruned to eliminate duplicates Z: 29 19.817 1.764 0.572 0.584 1.000 0.750 CB 1.246 29 residues pruned to eliminate duplicates Z: 8 4.834 1.490 0.550 0.794 0.571 0.286 N 1.069 8 residues pruned to eliminate duplicates Z: 7 3.841 1.639 0.301 0.527 0.667 0.500 CB 1.074 Z: 7 5.547 1.975 0.220 0.486 0.833 0.500 CB 1.144 7 residues pruned to eliminate duplicates Z: 30 21.379 1.935 0.584 0.535 0.966 0.724 CB 1.296 30 residues pruned to eliminate duplicates Z: 17 14.507 1.781 0.664 0.774 0.938 0.688 CB 1.025 17 residues pruned to eliminate duplicates Z: 11 7.668 1.708 0.828 0.513 0.800 0.700 CB 0.958 Z: 6 2.655 1.343 0.385 0.740 0.800 0.600 O 0.643 6 residues pruned to eliminate duplicates Z: 12 11.000 1.506 0.879 0.824 0.727 0.364 CB 1.217 12 residues pruned to eliminate duplicates Z: 14 12.955 1.561 0.587 0.837 1.000 0.846 CB 1.085 14 residues pruned to eliminate duplicates Z: 12 6.087 1.632 0.377 0.325 0.818 0.364 CB 1.210 8 residues pruned to eliminate duplicates Z: 6 4.072 1.511 0.904 0.722 1.000 0.600 CB 0.518 6 residues pruned to eliminate duplicates Z: 16 8.579 1.691 0.621 0.369 0.800 0.467 CB 1.163 12 residues pruned to eliminate duplicates Z: 8 3.234 1.346 0.489 0.340 0.857 0.286 CB 0.848 Z: 32 14.452 1.744 0.606 0.459 0.871 0.516 CB 1.109 32 residues pruned to eliminate duplicates Z: 6 3.380 1.569 0.035 0.495 0.800 0.600 N 1.169 Z: 10 4.937 1.564 0.639 0.322 0.667 0.556 CB 1.172 9 residues pruned to eliminate duplicates Z: 11 4.029 1.534 0.400 0.252 0.800 0.300 CB 0.987 11 residues pruned to eliminate duplicates Z: 11 16.096 1.788 0.615 0.813 0.900 0.700 CA 1.492 12 residues pruned to eliminate duplicates Z: 7 3.422 1.430 0.326 0.707 1.000 0.500 CB 0.610 Z: 15 14.890 1.675 0.635 0.886 1.000 1.000 CB 1.049 15 residues pruned to eliminate duplicates Z: 7 3.760 1.584 0.651 0.394 0.667 0.667 N 0.985 Z: 6 2.944 1.517 0.232 0.429 0.800 0.600 N 0.948 Z: 8 3.775 1.514 0.201 0.306 1.000 0.714 CB 0.973 Z: 27 9.304 1.622 0.637 0.339 0.731 0.231 CB 1.121 27 residues pruned to eliminate duplicates Z: 21 7.677 1.671 0.206 0.419 0.800 0.700 CB 1.158 19 residues pruned to eliminate duplicates Z: 9 9.620 1.637 0.374 0.861 1.000 0.750 CB 1.111 9 residues pruned to eliminate duplicates Z: 9 3.207 1.427 0.229 0.399 0.625 0.375 CB 1.150 6 residues pruned to eliminate duplicates Z: 50 23.485 1.793 0.522 0.556 0.918 0.633 CB 1.268 60 residues pruned to eliminate duplicates Z: 14 16.714 1.712 1.039 0.920 0.923 0.462 CB 1.013 13 residues pruned to eliminate duplicates Z: 11 7.552 1.706 0.511 0.497 0.900 0.700 CB 1.032 9 residues pruned to eliminate duplicates Z: 9 2.819 1.303 -0.018 0.500 0.875 0.625 CB 0.890 Z: 8 7.256 1.640 0.561 0.448 1.000 0.714 CB 1.130 8 residues pruned to eliminate duplicates Z: 11 5.197 1.434 0.331 0.415 0.900 0.500 CB 1.046 6 1.851 1.174 0.700 0.573 1.000 0.600 CB 0.386 ? Z: 13 19.358 1.692 0.698 0.876 1.000 0.917 CB 1.414 13 residues pruned to eliminate duplicates Z: 8 3.154 1.426 0.244 0.478 0.714 0.429 N 0.963 Z: 10 6.425 1.682 0.342 0.345 1.000 0.556 CB 1.122 Z: 15 11.682 1.859 0.630 0.353 0.929 0.714 CB 1.300 15 residues pruned to eliminate duplicates Z: 7 4.163 1.307 0.849 0.288 0.833 0.500 O 1.071 Z: 14 10.027 1.721 0.576 0.421 0.846 0.769 CB 1.315 14 residues pruned to eliminate duplicates Z: 8 3.424 1.470 0.379 0.237 0.857 0.571 CB 1.011 Z: 9 3.364 1.381 -0.094 0.305 1.000 0.500 CB 1.180 Z: 8 2.788 1.232 0.702 0.315 0.714 0.571 CB 0.863 Z: 9 4.099 1.445 0.559 0.373 0.750 0.625 N 0.983 7 residues pruned to eliminate duplicates Z: 6 5.132 1.471 0.386 0.862 0.800 0.800 CB 1.033 5 residues pruned to eliminate duplicates Z: 39 17.116 1.688 0.394 0.575 0.842 0.579 CB 1.303 39 residues pruned to eliminate duplicates Z: 9 4.414 1.722 0.101 0.804 1.000 0.875 CB 0.631 Z: 10 5.742 1.827 0.673 0.837 0.889 0.889 CB 0.527 Z: 16 7.781 1.707 0.464 0.440 0.800 0.533 CB 1.069 16 residues pruned to eliminate duplicates Z: 33 18.080 1.871 0.510 0.480 0.938 0.594 CB 1.232 33 residues pruned to eliminate duplicates Z: 13 12.885 1.766 0.628 0.834 0.917 0.833 CB 1.058 13 residues pruned to eliminate duplicates Z: 13 6.310 1.615 0.571 0.252 0.833 0.417 CB 1.146 15 residues pruned to eliminate duplicates Z: 34 19.862 1.909 0.486 0.541 0.818 0.636 CB 1.431 34 residues pruned to eliminate duplicates Z: 8 3.892 1.603 0.159 0.817 1.000 0.857 CB 0.601 8 residues pruned to eliminate duplicates Z: 7 2.524 1.548 0.129 0.247 0.667 0.667 N 1.183 8 residues pruned to eliminate duplicates Z: 12 5.394 1.420 0.561 0.491 0.909 0.636 CB 0.815 Z: 9 16.313 1.696 0.708 0.846 1.000 0.875 CB 1.479 9 residues pruned to eliminate duplicates Z: 9 5.722 1.299 0.560 0.587 0.875 0.750 N 1.050 Z: 12 15.060 1.681 0.685 0.849 1.000 0.909 CB 1.189 12 residues pruned to eliminate duplicates Z: 9 6.697 1.680 0.182 0.486 1.000 0.750 CB 1.210 Z: 10 11.370 1.469 0.564 0.891 1.000 0.889 CB 1.186 9 residues pruned to eliminate duplicates Z: 16 10.939 1.469 0.539 0.845 0.867 0.733 CB 1.072 Z: 13 5.307 1.408 0.507 0.305 0.917 0.500 N 0.979 Z: 10 6.517 1.491 0.172 0.514 1.000 0.556 CB 1.226 9 residues pruned to eliminate duplicates Z: 36 18.975 1.887 0.340 0.522 0.914 0.800 CB 1.358 36 residues pruned to eliminate duplicates Z: 26 21.312 1.797 0.642 0.644 1.000 0.880 CB 1.262 26 residues pruned to eliminate duplicates Z: 11 11.211 1.592 0.459 0.856 1.000 0.700 CB 1.125 11 residues pruned to eliminate duplicates Z: 6 5.828 1.630 0.605 0.563 1.000 0.600 CB 0.937 Z: 10 4.911 1.383 0.796 0.650 0.889 0.556 N 0.644 Z: 7 2.990 1.483 0.636 0.334 0.500 0.333 CA 1.206 Z: 22 9.046 1.711 0.603 0.448 0.810 0.571 CB 0.938 22 residues pruned to eliminate duplicates Z: 14 13.108 1.866 0.613 0.650 1.000 0.923 CB 1.051 15 residues pruned to eliminate duplicates Z: 10 7.330 1.292 0.465 0.812 1.000 0.556 N 0.985 9 residues pruned to eliminate duplicates Z: 15 5.710 1.663 0.485 0.347 0.714 0.500 CB 1.021 13 residues pruned to eliminate duplicates Z: 7 4.293 1.812 0.033 0.559 1.000 0.833 CB 0.884 Z: 11 4.360 1.814 -0.118 0.396 0.800 0.400 CA 1.202 11 residues pruned to eliminate duplicates Z: 6 2.047 1.222 -0.193 0.483 1.000 0.400 O 0.945 Z: 11 4.990 1.493 0.346 0.420 0.800 0.500 N 1.067 Z: 6 3.079 1.449 0.851 0.372 0.800 0.400 CB 0.736 Z: 20 9.965 1.785 0.522 0.422 0.789 0.526 CB 1.157 28 residues pruned to eliminate duplicates Z: 17 13.970 1.555 0.877 0.809 0.875 0.688 CB 1.045 17 residues pruned to eliminate duplicates Z: 8 4.264 1.538 0.184 0.499 0.857 0.714 N 1.034 Z: 8 8.941 1.601 0.473 0.843 0.857 0.857 CB 1.244 8 residues pruned to eliminate duplicates Z: 12 8.005 1.443 0.580 0.834 0.818 0.545 CB 0.970 Z: 17 5.268 1.725 0.197 0.227 0.688 0.500 N 1.278 17 residues pruned to eliminate duplicates Z: 9 4.928 1.659 0.751 0.272 0.750 0.250 CB 1.036 Z: 9 5.239 1.349 0.423 0.589 1.000 0.500 CB 0.886 9 residues pruned to eliminate duplicates Z: 6 5.775 1.640 0.400 0.684 0.800 0.800 CB 1.188 Z: 10 7.403 1.729 0.270 0.650 0.889 0.667 CB 1.100 10 residues pruned to eliminate duplicates Z: 12 16.906 1.585 1.047 0.880 0.909 0.818 N 1.253 13 residues pruned to eliminate duplicates Z: 17 23.240 1.950 0.725 0.828 1.000 0.562 CB 1.300 17 residues pruned to eliminate duplicates Z: 16 13.787 1.595 0.496 0.816 0.933 0.733 CB 1.214 16 residues pruned to eliminate duplicates Z: 9 6.440 1.570 0.073 0.743 1.000 0.875 CB 1.088 Z: 8 4.378 1.533 0.129 0.414 1.000 0.714 CB 1.046 8 residues pruned to eliminate duplicates Z: 15 12.299 1.766 0.736 0.620 0.857 0.643 CB 1.117 15 residues pruned to eliminate duplicates Z: 13 13.930 1.661 0.653 0.890 1.000 0.917 CB 1.054 14 residues pruned to eliminate duplicates Z: 19 7.405 1.617 0.600 0.391 0.889 0.556 CB 0.852 17 residues pruned to eliminate duplicates Z: 9 6.383 1.488 0.917 0.381 0.750 0.500 N 1.197 Z: 14 15.606 1.857 0.312 0.801 1.000 0.846 CA 1.365 14 residues pruned to eliminate duplicates Z: 11 9.739 1.511 0.585 0.900 0.900 0.700 CB 1.021 11 residues pruned to eliminate duplicates Z: 26 14.175 1.831 0.641 0.535 0.840 0.320 CB 1.085 26 residues pruned to eliminate duplicates Z: 8 2.395 1.610 0.334 0.224 0.429 0.429 CA 1.358 8 residues pruned to eliminate duplicates Z: 15 7.579 1.862 0.267 0.353 0.857 0.571 CB 1.174 26 residues pruned to eliminate duplicates Z: 15 6.320 1.805 0.669 0.362 0.786 0.500 CB 0.828 15 residues pruned to eliminate duplicates Z: 8 6.704 1.715 0.544 0.455 0.857 0.429 CB 1.169 9 residues pruned to eliminate duplicates Z: 8 6.873 1.573 0.403 0.866 1.000 0.714 CB 0.862 8 residues pruned to eliminate duplicates Z: 7 8.833 1.472 0.814 0.845 1.000 0.833 CA 1.003 7 residues pruned to eliminate duplicates Z: 7 3.224 1.638 -0.036 0.668 0.833 0.667 CB 0.857 Z: 9 11.128 1.808 0.503 0.531 1.000 0.250 CA 1.404 Z: 9 4.660 1.402 0.550 0.324 0.875 0.375 CB 1.051 Z: 10 4.735 1.475 0.326 0.522 0.889 0.667 CB 0.889 Z: 15 7.916 1.696 0.053 0.631 0.929 0.643 CB 1.128 15 residues pruned to eliminate duplicates Z: 7 3.335 1.264 0.270 0.350 1.000 0.333 N 0.998 Z: 7 3.615 1.340 0.989 0.426 0.667 0.500 CB 0.897 Z: 9 13.501 1.734 0.913 0.807 1.000 0.750 N 1.101 9 residues pruned to eliminate duplicates Z: 27 22.594 1.894 0.611 0.589 1.000 0.692 CB 1.334 17 residues pruned to eliminate duplicates 6 1.826 1.301 0.603 0.281 0.600 0.400 CB 0.835 ? Z: 12 11.374 1.751 0.539 0.534 1.000 0.636 CA 1.230 12 residues pruned to eliminate duplicates Z: 6 2.827 1.329 1.035 0.369 0.600 0.400 C 0.897 Z: 7 3.026 1.412 0.239 0.298 0.833 0.667 CB 1.062 Z: 9 6.157 1.370 0.946 0.515 0.875 0.500 CA 0.919 9 residues pruned to eliminate duplicates Z: 10 14.485 1.693 1.088 0.734 1.000 0.889 CB 1.107 Z: 12 10.849 1.755 0.818 0.915 1.000 0.636 CB 0.725 12 residues pruned to eliminate duplicates Z: 6 7.699 1.602 0.659 0.800 0.800 0.400 CB 1.245 Z: 15 26.797 1.880 0.837 0.871 1.000 0.786 CA 1.513 15 residues pruned to eliminate duplicates Z: 14 7.251 1.645 0.594 0.384 0.769 0.385 CB 1.128 14 residues pruned to eliminate duplicates Z: 12 14.445 1.603 0.678 0.885 1.000 0.727 CB 1.169 12 residues pruned to eliminate duplicates Z: 7 9.193 1.809 0.900 0.628 1.000 0.833 CB 0.968 7 residues pruned to eliminate duplicates Z: 12 4.480 1.558 0.829 0.285 0.545 0.182 CB 1.107 12 residues pruned to eliminate duplicates Z: 14 9.212 1.617 0.459 0.734 0.769 0.462 CB 1.141 14 residues pruned to eliminate duplicates Z: 27 10.422 1.619 0.526 0.435 0.885 0.577 CB 1.000 27 residues pruned to eliminate duplicates Z: 6 4.162 1.638 0.195 0.769 1.000 0.800 CB 0.749 6 residues pruned to eliminate duplicates Z: 9 5.135 1.570 0.184 0.324 0.875 0.375 O 1.354 9 residues pruned to eliminate duplicates 7 0.568 1.119 0.062 0.735 1.000 0.500 CB 0.158 ? Z: 10 10.131 1.702 0.692 0.749 0.889 0.667 CB 1.056 11 residues pruned to eliminate duplicates Z: 6 2.385 1.646 0.304 0.293 0.600 0.400 CB 1.045 6 residues pruned to eliminate duplicates Z: 6 2.543 1.643 0.604 0.678 0.800 0.600 CB 0.458 6 residues pruned to eliminate duplicates Z: 13 19.598 1.877 0.946 0.704 1.000 0.833 CB 1.286 13 residues pruned to eliminate duplicates Z: 17 12.690 1.719 0.674 0.742 0.938 0.750 CB 0.947 17 residues pruned to eliminate duplicates Z: 8 5.496 1.624 0.345 0.668 0.857 0.714 CB 0.950 Z: 6 5.347 1.768 0.280 0.325 1.000 0.800 N 1.282 Z: 7 4.645 1.456 0.524 0.816 0.667 0.667 CB 0.974 7 residues pruned to eliminate duplicates Z: 35 20.485 1.860 0.500 0.566 0.941 0.588 CB 1.255 35 residues pruned to eliminate duplicates 6 0.785 1.499 0.219 0.722 1.000 0.400 CB 0.157 ? Z: 9 4.695 1.661 0.666 0.429 0.750 0.625 CB 0.861 17 residues pruned to eliminate duplicates Z: 14 13.926 1.527 0.565 0.858 1.000 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 6 2.480 1.521 1.019 0.208 0.600 0.600 N 0.850 Z: 13 13.711 1.738 0.471 0.886 1.000 0.833 CB 1.117 13 residues pruned to eliminate duplicates Z: 7 4.524 1.117 0.611 0.837 1.000 0.833 CA 0.767 Z: 10 5.480 1.526 0.744 0.265 0.889 0.444 CB 1.009 Z: 16 7.213 1.606 0.381 0.389 0.733 0.333 CB 1.288 16 residues pruned to eliminate duplicates Z: 9 3.227 1.345 0.175 0.220 1.000 0.375 O 1.002 Z: 14 8.078 1.807 0.327 0.472 0.923 0.769 CB 1.042 14 residues pruned to eliminate duplicates Z: 14 8.200 1.702 0.361 0.510 0.846 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 7 5.540 1.431 0.336 0.854 1.000 0.833 CB 0.874 Z: 11 5.563 1.440 0.495 0.315 1.000 0.400 CB 1.002 Z: 8 2.713 1.507 0.560 0.302 0.714 0.286 CB 0.761 6 1.262 0.834 0.288 0.768 1.000 0.800 CB 0.414 ? Z: 8 3.015 1.294 0.595 0.359 0.714 0.571 CB 0.900 8 residues pruned to eliminate duplicates Z: 6 2.739 1.249 0.219 0.356 1.000 0.400 CB 0.940 Z: 6 2.096 1.029 0.512 0.625 0.800 0.800 C 0.669 Using tripeptides from previous cycle as seeds Z: 8 11.707 2.013 0.907 0.586 0.857 0.714 CB 1.238 8 residues pruned to eliminate duplicates Z: 6 2.020 1.432 0.526 0.303 1.000 0.600 CA 0.515 6 1.915 1.256 0.860 0.353 0.800 0.600 CA 0.537 ? Z: 11 7.867 1.511 0.484 0.773 0.900 0.600 CB 0.969 11 residues pruned to eliminate duplicates Z: 11 9.368 1.505 0.468 0.849 1.000 0.900 CB 0.994 11 residues pruned to eliminate duplicates Z: 10 9.451 1.619 0.300 0.861 1.000 0.667 CB 1.100 10 residues pruned to eliminate duplicates Z: 9 10.214 1.598 0.412 0.830 1.000 0.750 CB 1.203 9 residues pruned to eliminate duplicates Z: 8 10.788 1.654 0.388 0.852 1.000 0.857 CB 1.314 8 residues pruned to eliminate duplicates Z: 15 4.715 1.595 0.431 0.441 0.857 0.643 CB 0.685 9 residues pruned to eliminate duplicates Z: 12 9.351 1.524 0.535 0.695 1.000 0.545 CB 1.008 12 residues pruned to eliminate duplicates Z: 9 12.182 1.618 0.519 0.783 1.000 0.750 CB 1.365 10 residues pruned to eliminate duplicates Z: 6 3.616 1.304 1.040 0.406 0.800 0.600 CA 0.839 Z: 6 5.075 1.485 0.689 0.442 1.000 0.800 CA 0.960 6 residues pruned to eliminate duplicates Z: 16 15.438 1.880 0.619 0.506 0.933 0.667 CB 1.395 17 residues pruned to eliminate duplicates Z: 7 4.794 1.658 0.449 0.444 1.000 0.500 CB 0.863 7 residues pruned to eliminate duplicates Z: 15 11.549 1.860 0.605 0.428 1.000 0.714 CB 1.115 15 residues pruned to eliminate duplicates Z: 20 19.273 1.812 0.519 0.716 0.947 0.789 CB 1.394 20 residues pruned to eliminate duplicates Z: 32 21.679 1.853 0.626 0.553 0.903 0.806 CB 1.358 32 residues pruned to eliminate duplicates Z: 24 19.774 1.959 0.317 0.620 1.000 0.739 CB 1.427 24 residues pruned to eliminate duplicates Z: 26 25.448 1.946 0.566 0.676 0.960 0.880 CB 1.480 26 residues pruned to eliminate duplicates Z: 16 19.602 1.834 0.519 0.794 0.933 0.867 CB 1.504 16 residues pruned to eliminate duplicates Z: 28 18.559 1.927 0.408 0.552 0.926 0.741 CB 1.352 28 residues pruned to eliminate duplicates Z: 20 14.712 1.886 0.418 0.589 0.895 0.579 CB 1.296 20 residues pruned to eliminate duplicates Z: 23 10.206 1.761 0.464 0.485 0.773 0.455 CB 1.108 23 residues pruned to eliminate duplicates Z: 29 18.746 1.827 0.577 0.557 0.964 0.643 CB 1.206 29 residues pruned to eliminate duplicates Z: 27 22.885 1.927 0.563 0.556 1.000 0.769 CB 1.410 27 residues pruned to eliminate duplicates Z: 19 15.085 1.865 0.655 0.543 0.889 0.667 CB 1.243 19 residues pruned to eliminate duplicates Z: 18 13.982 1.856 0.509 0.609 0.824 0.647 CB 1.325 18 residues pruned to eliminate duplicates Z: 23 18.806 1.908 0.593 0.593 0.909 0.636 CB 1.328 23 residues pruned to eliminate duplicates Z: 13 14.777 1.849 0.598 0.789 0.917 0.583 CB 1.222 13 residues pruned to eliminate duplicates Z: 23 21.349 1.978 0.480 0.640 1.000 0.864 CB 1.364 23 residues pruned to eliminate duplicates Z: 34 25.297 1.948 0.534 0.630 0.970 0.727 CB 1.345 34 residues pruned to eliminate duplicates Z: 8 3.790 1.900 0.343 0.397 0.571 0.286 CB 1.096 8 residues pruned to eliminate duplicates Z: 9 7.033 1.984 0.350 0.570 0.750 0.500 CB 1.157 9 residues pruned to eliminate duplicates Z: 16 12.942 2.016 0.434 0.580 0.867 0.667 CB 1.235 18 residues pruned to eliminate duplicates Z: 6 5.228 1.567 0.394 0.466 0.800 0.800 CA 1.385 Z: 18 10.240 1.894 0.482 0.509 0.765 0.588 CB 1.147 24 residues pruned to eliminate duplicates Z: 17 11.737 1.837 0.516 0.495 0.812 0.375 CB 1.304 17 residues pruned to eliminate duplicates Z: 16 15.320 1.996 0.575 0.577 0.933 0.600 CB 1.252 16 residues pruned to eliminate duplicates Z: 6 8.655 1.783 0.556 0.631 1.000 0.400 CA 1.233 Z: 10 7.584 1.344 0.761 0.714 0.889 0.222 N 0.990 Z: 6 2.497 1.294 0.641 0.874 0.800 0.200 CB 0.479 6 residues pruned to eliminate duplicates Z: 10 5.964 1.578 0.602 0.404 0.889 0.333 N 0.978 15 residues pruned to eliminate duplicates Z: 6 3.536 1.498 0.180 0.432 1.000 0.800 CB 0.960 6 residues pruned to eliminate duplicates Z: 11 11.150 2.022 0.254 0.406 1.000 0.500 CB 1.536 11 residues pruned to eliminate duplicates Z: 12 9.972 1.979 0.378 0.477 1.000 0.636 CB 1.129 12 residues pruned to eliminate duplicates Z: 11 9.135 1.960 0.613 0.528 0.800 0.800 CB 1.111 11 residues pruned to eliminate duplicates Z: 12 12.202 1.936 0.428 0.445 1.000 0.818 CB 1.409 12 residues pruned to eliminate duplicates Z: 11 13.653 2.070 0.537 0.532 1.000 0.800 CB 1.315 11 residues pruned to eliminate duplicates Z: 13 10.271 1.954 0.349 0.366 1.000 0.500 CB 1.298 11 residues pruned to eliminate duplicates Z: 7 4.594 1.309 0.581 0.350 1.000 0.667 N 1.066 Z: 16 10.551 1.661 0.642 0.522 0.933 0.600 CB 1.047 36 residues pruned to eliminate duplicates Z: 8 2.377 1.363 0.625 0.304 0.857 0.429 N 0.589 6 1.801 1.355 -0.012 0.454 0.800 0.600 CA 0.789 ? Z: 7 8.212 1.407 0.645 0.775 1.000 0.500 CA 1.136 5 residues pruned to eliminate duplicates Z: 6 2.912 1.764 0.363 0.298 0.600 0.400 CB 1.131 6 residues pruned to eliminate duplicates Z: 16 8.474 1.891 0.606 0.446 0.867 0.533 CB 0.879 10 residues pruned to eliminate duplicates Z: 6 3.910 2.022 0.682 0.390 0.600 0.400 CB 0.963 6 residues pruned to eliminate duplicates Z: 20 15.491 2.004 0.595 0.574 0.842 0.474 CB 1.230 23 residues pruned to eliminate duplicates Z: 14 16.797 1.877 0.363 0.879 0.923 0.769 CB 1.430 14 residues pruned to eliminate duplicates Z: 25 17.760 1.977 0.675 0.604 0.792 0.500 CB 1.253 24 residues pruned to eliminate duplicates Z: 14 21.992 1.887 0.622 0.894 1.000 0.846 CB 1.430 14 residues pruned to eliminate duplicates Z: 24 17.271 1.960 0.577 0.651 0.826 0.652 CB 1.225 49 residues pruned to eliminate duplicates Z: 24 17.925 1.957 0.646 0.627 0.870 0.609 CB 1.184 Z: 14 19.052 1.866 0.633 0.844 0.923 0.692 CB 1.398 12 residues pruned to eliminate duplicates Z: 13 21.650 1.929 0.818 0.821 1.000 0.667 CB 1.349 13 residues pruned to eliminate duplicates Z: 14 19.702 1.859 0.993 0.853 0.923 0.538 CB 1.181 14 residues pruned to eliminate duplicates Z: 13 26.832 1.976 1.081 0.901 1.000 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 15 23.841 1.839 0.922 0.890 0.929 0.714 CB 1.397 15 residues pruned to eliminate duplicates Z: 11 7.100 1.644 0.667 0.410 0.800 0.600 CB 1.126 3 residues pruned to eliminate duplicates Z: 6 3.807 1.554 0.574 0.263 0.800 0.600 CA 1.141 Z: 6 2.679 1.545 1.110 0.159 0.600 0.200 CA 0.929 6 residues pruned to eliminate duplicates Z: 13 8.548 1.791 0.731 0.250 0.833 0.333 CB 1.273 15 residues pruned to eliminate duplicates Z: 9 7.794 1.715 0.528 0.572 0.750 0.625 CA 1.308 9 residues pruned to eliminate duplicates Z: 14 8.935 1.863 0.517 0.467 1.000 0.615 CB 0.907 14 residues pruned to eliminate duplicates Z: 10 11.148 1.909 0.647 0.581 0.889 0.667 CB 1.230 10 residues pruned to eliminate duplicates Z: 12 11.362 1.915 0.787 0.490 1.000 0.727 CB 1.011 12 residues pruned to eliminate duplicates Z: 14 12.716 1.874 0.664 0.481 1.000 0.692 CB 1.153 14 residues pruned to eliminate duplicates Z: 11 11.465 1.901 0.711 0.541 0.900 0.700 CB 1.189 13 residues pruned to eliminate duplicates Z: 9 9.355 1.820 0.598 0.830 1.000 0.875 CB 0.856 9 residues pruned to eliminate duplicates Z: 17 11.119 1.712 0.856 0.466 0.812 0.688 CB 1.115 16 residues pruned to eliminate duplicates Z: 15 11.876 1.745 0.508 0.629 0.929 0.714 CB 1.150 15 residues pruned to eliminate duplicates Z: 9 8.055 1.826 0.558 0.544 0.875 0.500 CB 1.095 18 residues pruned to eliminate duplicates Z: 8 9.182 1.618 0.393 0.600 1.000 0.571 CB 1.399 8 residues pruned to eliminate duplicates Z: 11 9.831 2.193 0.422 0.323 0.900 0.400 CB 1.345 11 residues pruned to eliminate duplicates Z: 12 9.681 2.127 0.273 0.455 1.000 0.545 CB 1.129 12 residues pruned to eliminate duplicates Z: 13 6.886 1.958 0.350 0.397 0.917 0.667 CB 0.914 13 residues pruned to eliminate duplicates Z: 18 9.559 1.935 0.370 0.439 0.824 0.529 CB 1.130 18 residues pruned to eliminate duplicates Z: 26 17.269 1.946 0.559 0.522 0.920 0.520 CB 1.211 26 residues pruned to eliminate duplicates Z: 26 18.301 1.905 0.622 0.527 0.920 0.600 CB 1.254 26 residues pruned to eliminate duplicates Z: 29 16.466 1.885 0.558 0.449 0.893 0.536 CB 1.250 29 residues pruned to eliminate duplicates Z: 47 19.674 1.848 0.514 0.455 0.913 0.543 CB 1.189 47 residues pruned to eliminate duplicates Z: 29 17.928 1.786 0.697 0.534 0.929 0.643 CB 1.164 29 residues pruned to eliminate duplicates Z: 12 15.839 1.846 0.779 0.610 1.000 0.545 CB 1.310 12 residues pruned to eliminate duplicates Z: 50 19.343 1.833 0.721 0.366 0.878 0.469 CB 1.152 50 residues pruned to eliminate duplicates Z: 15 11.172 1.733 0.816 0.393 0.929 0.571 CB 1.145 15 residues pruned to eliminate duplicates Z: 20 12.894 1.789 0.439 0.565 0.947 0.842 CB 1.139 20 residues pruned to eliminate duplicates Z: 12 14.257 1.832 0.764 0.493 1.000 0.636 CB 1.340 12 residues pruned to eliminate duplicates Z: 30 16.626 1.878 0.418 0.584 0.931 0.655 CB 1.149 30 residues pruned to eliminate duplicates Z: 12 13.375 1.826 0.594 0.498 1.000 0.818 CB 1.388 12 residues pruned to eliminate duplicates Z: 12 11.762 1.827 0.573 0.414 1.000 0.727 CB 1.350 12 residues pruned to eliminate duplicates Z: 19 18.264 1.910 0.557 0.629 1.000 0.833 CB 1.283 19 residues pruned to eliminate duplicates Z: 27 20.867 1.873 0.544 0.656 1.000 0.885 CB 1.225 27 residues pruned to eliminate duplicates Z: 31 18.841 1.808 0.540 0.606 0.967 0.767 CB 1.156 31 residues pruned to eliminate duplicates Z: 19 13.698 1.862 0.385 0.564 0.944 0.722 CB 1.246 19 residues pruned to eliminate duplicates Z: 30 17.714 1.869 0.429 0.572 0.966 0.724 CB 1.190 30 residues pruned to eliminate duplicates Z: 23 21.236 1.911 0.687 0.678 0.955 0.773 CB 1.249 23 residues pruned to eliminate duplicates Z: 26 17.181 1.857 0.520 0.600 0.960 0.760 CB 1.152 26 residues pruned to eliminate duplicates Z: 30 16.015 1.843 0.516 0.507 0.897 0.655 CB 1.178 30 residues pruned to eliminate duplicates Z: 31 15.547 1.853 0.372 0.556 0.933 0.700 CB 1.133 31 residues pruned to eliminate duplicates Z: 32 17.956 1.846 0.491 0.575 0.935 0.806 CB 1.165 32 residues pruned to eliminate duplicates Z: 30 20.841 1.865 0.725 0.571 0.966 0.759 CB 1.163 30 residues pruned to eliminate duplicates Z: 24 19.900 1.887 0.578 0.678 0.957 0.826 CB 1.237 24 residues pruned to eliminate duplicates Z: 28 21.825 1.887 0.595 0.582 1.000 0.778 CB 1.289 28 residues pruned to eliminate duplicates Z: 35 22.636 1.860 0.663 0.611 0.971 0.794 CB 1.164 35 residues pruned to eliminate duplicates Z: 10 3.299 1.604 0.422 0.274 0.778 0.444 CB 0.801 10 residues pruned to eliminate duplicates Z: 33 19.555 1.864 0.524 0.585 0.969 0.812 CB 1.159 33 residues pruned to eliminate duplicates Z: 15 8.498 1.774 0.680 0.433 0.857 0.571 CB 0.953 15 residues pruned to eliminate duplicates Z: 44 23.797 1.864 0.644 0.565 0.930 0.698 CB 1.195 44 residues pruned to eliminate duplicates Z: 53 24.141 1.905 0.578 0.489 0.962 0.635 CB 1.172 53 residues pruned to eliminate duplicates Z: 37 21.851 1.837 0.705 0.577 0.944 0.694 CB 1.143 37 residues pruned to eliminate duplicates Z: 38 19.971 1.809 0.542 0.511 0.946 0.730 CB 1.230 38 residues pruned to eliminate duplicates Z: 46 22.126 1.875 0.501 0.565 0.933 0.667 CB 1.179 46 residues pruned to eliminate duplicates Z: 25 12.387 1.778 0.658 0.334 0.833 0.542 CB 1.235 25 residues pruned to eliminate duplicates Z: 42 18.330 1.804 0.620 0.413 0.878 0.561 CB 1.222 51 residues pruned to eliminate duplicates 6 1.073 1.253 0.552 0.258 0.600 0.200 CB 0.543 ? Z: 10 14.874 1.711 1.111 0.648 1.000 0.778 CA 1.196 10 residues pruned to eliminate duplicates Z: 10 12.394 1.887 0.596 0.560 1.000 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 14 10.853 1.825 0.727 0.388 0.846 0.615 CB 1.270 14 residues pruned to eliminate duplicates Z: 9 10.325 1.871 0.682 0.479 1.000 0.750 CB 1.185 9 residues pruned to eliminate duplicates Z: 10 10.058 1.810 0.899 0.577 0.889 0.556 CB 1.019 10 residues pruned to eliminate duplicates Z: 51 22.130 1.831 0.683 0.514 0.920 0.600 CB 1.088 51 residues pruned to eliminate duplicates Z: 17 12.452 1.825 0.885 0.419 0.938 0.625 CB 1.050 17 residues pruned to eliminate duplicates Z: 11 5.422 1.603 0.881 0.268 0.600 0.400 CB 1.235 11 residues pruned to eliminate duplicates Z: 23 10.614 1.786 0.732 0.424 0.727 0.545 CB 1.089 23 residues pruned to eliminate duplicates Z: 16 6.060 1.578 0.495 0.353 0.733 0.400 CB 1.061 16 residues pruned to eliminate duplicates Z: 12 11.602 1.821 0.944 0.560 0.818 0.636 CB 1.140 12 residues pruned to eliminate duplicates Z: 22 13.470 1.824 0.794 0.491 0.762 0.524 CB 1.190 22 residues pruned to eliminate duplicates Z: 26 12.487 1.808 0.768 0.353 0.760 0.600 CB 1.205 26 residues pruned to eliminate duplicates Z: 11 7.629 1.762 0.698 0.481 0.800 0.500 CB 1.027 11 residues pruned to eliminate duplicates Z: 13 9.528 1.782 0.790 0.433 0.750 0.583 CB 1.233 13 residues pruned to eliminate duplicates Z: 14 9.161 1.742 0.997 0.453 0.769 0.462 CB 0.996 14 residues pruned to eliminate duplicates Z: 19 8.443 1.682 0.671 0.330 0.833 0.389 CB 1.023 19 residues pruned to eliminate duplicates Z: 7 3.991 1.605 0.849 0.353 0.833 0.167 CB 0.772 7 residues pruned to eliminate duplicates Z: 13 8.955 1.762 0.748 0.441 0.833 0.500 CB 1.071 13 residues pruned to eliminate duplicates Z: 29 19.135 1.825 0.770 0.600 0.893 0.714 CB 1.139 47 residues pruned to eliminate duplicates Z: 6 5.966 1.621 0.620 0.422 1.000 0.600 CA 1.102 6 residues pruned to eliminate duplicates Z: 19 11.286 1.934 0.587 0.433 0.778 0.611 CB 1.194 19 residues pruned to eliminate duplicates Z: 17 9.995 1.872 0.703 0.489 0.875 0.688 CB 0.905 17 residues pruned to eliminate duplicates Z: 20 9.622 1.795 0.630 0.443 0.737 0.632 CB 1.086 20 residues pruned to eliminate duplicates Z: 22 9.109 1.828 0.702 0.389 0.714 0.429 CB 1.006 22 residues pruned to eliminate duplicates Z: 17 12.272 1.813 0.825 0.485 0.875 0.625 CB 1.076 17 residues pruned to eliminate duplicates Z: 20 10.169 1.857 0.687 0.436 0.789 0.526 CB 1.008 20 residues pruned to eliminate duplicates Z: 21 10.165 1.787 0.847 0.374 0.750 0.450 CB 1.051 21 residues pruned to eliminate duplicates Z: 22 8.777 1.911 0.659 0.407 0.762 0.381 CB 0.874 22 residues pruned to eliminate duplicates Z: 22 14.582 1.885 0.889 0.483 0.857 0.571 CB 1.061 22 residues pruned to eliminate duplicates Z: 20 12.367 1.897 0.681 0.458 0.789 0.579 CB 1.176 20 residues pruned to eliminate duplicates Z: 23 8.986 1.812 0.612 0.381 0.682 0.500 CB 1.092 23 residues pruned to eliminate duplicates Z: 9 3.837 1.819 0.770 0.240 0.500 0.375 CA 1.139 9 residues pruned to eliminate duplicates Z: 18 9.615 1.859 0.363 0.538 0.824 0.588 CB 1.076 18 residues pruned to eliminate duplicates Z: 25 11.167 1.743 0.616 0.427 0.750 0.417 CB 1.165 25 residues pruned to eliminate duplicates Z: 25 15.191 1.894 0.681 0.615 0.833 0.708 CB 1.048 25 residues pruned to eliminate duplicates Z: 13 13.161 1.737 0.798 0.598 0.917 0.583 CB 1.208 8 residues pruned to eliminate duplicates Z: 14 19.622 1.746 0.775 0.901 1.000 0.538 CB 1.253 15 residues pruned to eliminate duplicates Z: 13 21.594 1.822 0.979 0.906 1.000 0.667 CB 1.229 14 residues pruned to eliminate duplicates Z: 10 16.106 1.726 0.875 0.903 0.889 0.889 CB 1.331 10 residues pruned to eliminate duplicates Z: 14 21.351 1.714 1.072 0.894 1.000 0.692 CB 1.196 13 residues pruned to eliminate duplicates Z: 15 18.691 1.727 0.869 0.848 0.929 0.786 CB 1.236 15 residues pruned to eliminate duplicates Z: 17 12.973 1.730 0.831 0.597 0.750 0.500 CB 1.244 17 residues pruned to eliminate duplicates Z: 18 16.121 1.722 0.688 0.591 1.000 0.529 CB 1.233 18 residues pruned to eliminate duplicates Z: 8 5.247 1.695 0.452 0.410 0.857 0.571 CB 1.033 8 residues pruned to eliminate duplicates Z: 23 10.930 1.746 0.578 0.370 0.818 0.500 CB 1.189 23 residues pruned to eliminate duplicates Z: 11 12.264 1.937 0.664 0.334 1.000 0.400 CB 1.443 11 residues pruned to eliminate duplicates Z: 12 9.922 1.734 0.580 0.444 0.909 0.455 CB 1.272 12 residues pruned to eliminate duplicates Z: 9 6.497 1.651 0.334 0.375 0.875 0.375 CA 1.362 9 residues pruned to eliminate duplicates Z: 9 12.448 1.913 0.634 0.528 0.875 0.500 CB 1.565 18 residues pruned to eliminate duplicates Z: 29 16.003 1.808 0.617 0.460 0.893 0.536 CB 1.207 47 residues pruned to eliminate duplicates Z: 18 16.076 1.883 0.655 0.596 1.000 0.765 CB 1.141 13 residues pruned to eliminate duplicates Z: 6 9.510 1.944 0.888 0.431 1.000 0.600 CA 1.244 8 residues pruned to eliminate duplicates Z: 8 11.640 1.817 0.826 0.429 1.000 0.714 CA 1.427 8 residues pruned to eliminate duplicates Z: 6 6.678 1.644 0.767 0.323 1.000 0.400 CA 1.249 6 residues pruned to eliminate duplicates Z: 16 22.106 2.051 0.879 0.563 1.000 0.533 CB 1.393 16 residues pruned to eliminate duplicates Z: 7 3.549 1.511 1.076 0.756 0.667 0.333 CB 0.552 3 residues pruned to eliminate duplicates Z: 6 6.287 1.585 0.429 0.778 1.000 0.600 CA 0.971 6 residues pruned to eliminate duplicates Z: 10 5.000 1.652 0.201 0.369 0.778 0.556 CB 1.243 19 residues pruned to eliminate duplicates Z: 6 3.853 1.707 0.409 0.599 1.000 0.400 CB 0.652 6 residues pruned to eliminate duplicates Z: 11 8.124 1.704 0.275 0.792 0.800 0.700 CB 1.144 11 residues pruned to eliminate duplicates Z: 12 10.726 1.695 0.316 0.823 0.909 0.545 CB 1.205 12 residues pruned to eliminate duplicates Z: 9 10.038 1.735 0.638 0.824 0.875 0.625 CB 1.078 9 residues pruned to eliminate duplicates Z: 10 14.337 1.751 0.659 0.831 1.000 0.556 CB 1.236 10 residues pruned to eliminate duplicates Z: 13 6.170 1.666 0.550 0.454 0.667 0.250 CB 1.084 14 residues pruned to eliminate duplicates Z: 7 5.934 1.507 0.499 0.570 0.833 0.667 CB 1.203 7 residues pruned to eliminate duplicates Z: 8 7.324 1.462 1.131 0.643 0.714 0.429 CB 1.089 8 residues pruned to eliminate duplicates Z: 13 8.599 1.661 0.524 0.486 0.833 0.333 CB 1.193 19 residues pruned to eliminate duplicates Z: 15 12.882 1.724 0.752 0.640 0.857 0.429 CB 1.166 15 residues pruned to eliminate duplicates Z: 7 6.085 1.481 0.538 0.544 1.000 0.667 O 1.045 7 residues pruned to eliminate duplicates Z: 14 7.144 1.710 0.994 0.504 0.538 0.308 CB 1.074 14 residues pruned to eliminate duplicates Z: 8 4.612 1.570 0.569 0.273 0.857 0.429 CB 1.068 8 residues pruned to eliminate duplicates Z: 11 5.097 1.661 0.396 0.223 0.800 0.200 CB 1.202 Z: 15 16.934 1.888 0.478 0.866 1.000 0.857 CB 1.187 15 residues pruned to eliminate duplicates Z: 15 12.315 1.840 0.194 0.893 1.000 0.929 CB 1.076 15 residues pruned to eliminate duplicates Z: 15 13.900 1.868 0.259 0.879 1.000 0.786 CB 1.146 15 residues pruned to eliminate duplicates Z: 20 10.399 1.750 0.332 0.687 0.842 0.684 CB 1.024 20 residues pruned to eliminate duplicates Z: 17 12.309 1.779 0.429 0.719 0.875 0.750 CB 1.135 17 residues pruned to eliminate duplicates Z: 17 13.373 1.798 0.474 0.740 0.875 0.750 CB 1.162 17 residues pruned to eliminate duplicates Z: 16 13.522 1.817 0.507 0.768 0.867 0.800 CB 1.160 16 residues pruned to eliminate duplicates Z: 15 10.511 1.832 0.361 0.694 0.929 0.643 CB 1.017 15 residues pruned to eliminate duplicates Z: 15 13.559 1.786 0.615 0.749 0.929 0.786 CB 1.083 15 residues pruned to eliminate duplicates Z: 17 9.963 1.789 0.497 0.717 0.812 0.688 CB 0.941 17 residues pruned to eliminate duplicates Z: 17 11.161 1.830 0.397 0.681 0.812 0.750 CB 1.138 17 residues pruned to eliminate duplicates Z: 22 12.575 1.642 0.565 0.565 0.810 0.429 CB 1.238 22 residues pruned to eliminate duplicates Z: 17 14.132 1.796 0.440 0.770 0.938 0.688 CB 1.147 16 residues pruned to eliminate duplicates Z: 16 19.988 1.776 0.670 0.892 1.000 0.667 CB 1.250 16 residues pruned to eliminate duplicates Z: 6 5.854 1.569 0.646 0.461 1.000 0.600 CA 1.055 6 residues pruned to eliminate duplicates Z: 11 7.559 1.753 0.538 0.445 0.800 0.600 CB 1.173 13 residues pruned to eliminate duplicates Z: 6 3.833 1.611 0.183 0.381 0.800 0.400 O 1.276 6 residues pruned to eliminate duplicates Z: 13 7.151 1.803 0.550 0.350 0.750 0.500 CB 1.159 11 residues pruned to eliminate duplicates 6 1.988 1.814 -0.010 0.117 0.600 0.200 CA 1.335 ? Z: 10 10.508 1.746 0.272 0.627 1.000 0.556 CB 1.400 10 residues pruned to eliminate duplicates Z: 8 5.990 1.610 0.316 0.464 1.000 0.286 O 1.109 8 residues pruned to eliminate duplicates Z: 7 7.937 1.918 0.393 0.707 0.667 0.667 CB 1.507 7 residues pruned to eliminate duplicates Z: 10 8.598 1.765 0.375 0.535 1.000 0.556 CB 1.141 10 residues pruned to eliminate duplicates Z: 19 13.326 1.845 0.457 0.562 0.889 0.833 CB 1.237 19 residues pruned to eliminate duplicates Z: 27 18.838 1.877 0.448 0.648 0.962 0.692 CB 1.231 29 residues pruned to eliminate duplicates Z: 8 11.054 1.819 0.438 0.747 1.000 0.857 CB 1.281 8 residues pruned to eliminate duplicates Z: 18 10.926 1.776 0.436 0.613 0.882 0.706 CB 1.058 18 residues pruned to eliminate duplicates Z: 29 17.749 1.855 0.558 0.596 0.893 0.607 CB 1.185 29 residues pruned to eliminate duplicates Z: 18 11.736 1.768 0.441 0.600 0.941 0.647 CB 1.079 18 residues pruned to eliminate duplicates Z: 17 11.911 1.869 0.461 0.568 0.875 0.688 CB 1.166 17 residues pruned to eliminate duplicates Z: 17 9.417 1.804 0.282 0.492 0.875 0.625 CB 1.172 17 residues pruned to eliminate duplicates Z: 32 18.708 1.771 0.621 0.545 0.935 0.452 CB 1.197 32 residues pruned to eliminate duplicates Z: 30 19.460 1.836 0.598 0.599 0.862 0.586 CB 1.300 30 residues pruned to eliminate duplicates Z: 32 23.932 1.816 0.692 0.590 0.935 0.645 CB 1.372 32 residues pruned to eliminate duplicates Z: 14 13.878 1.879 0.413 0.696 1.000 0.769 CB 1.212 14 residues pruned to eliminate duplicates Z: 28 23.725 1.885 0.508 0.655 1.000 0.667 CB 1.391 28 residues pruned to eliminate duplicates Z: 28 20.767 1.897 0.426 0.632 0.963 0.667 CB 1.356 28 residues pruned to eliminate duplicates Z: 28 19.961 1.862 0.509 0.636 1.000 0.704 CB 1.204 28 residues pruned to eliminate duplicates Z: 31 20.726 1.864 0.597 0.630 0.900 0.633 CB 1.250 31 residues pruned to eliminate duplicates Z: 27 22.774 1.918 0.536 0.681 1.000 0.808 CB 1.284 27 residues pruned to eliminate duplicates Z: 14 11.507 1.861 0.667 0.700 0.692 0.538 CB 1.239 14 residues pruned to eliminate duplicates Z: 13 13.948 1.820 0.665 0.538 0.833 0.500 N 1.537 13 residues pruned to eliminate duplicates Z: 12 19.337 1.881 0.754 0.692 1.000 0.545 CB 1.483 12 residues pruned to eliminate duplicates Z: 31 20.888 1.835 0.532 0.637 0.933 0.733 CB 1.278 31 residues pruned to eliminate duplicates Z: 12 16.748 1.877 0.655 0.764 0.818 0.455 CB 1.573 12 residues pruned to eliminate duplicates Z: 17 13.286 1.716 0.490 0.619 0.938 0.500 CB 1.238 15 residues pruned to eliminate duplicates Z: 15 19.987 1.804 0.474 0.868 1.000 0.643 CB 1.467 17 residues pruned to eliminate duplicates Z: 15 16.567 1.849 0.446 0.781 0.929 0.857 CB 1.392 15 residues pruned to eliminate duplicates Z: 33 24.027 1.818 0.528 0.702 0.969 0.750 CB 1.314 33 residues pruned to eliminate duplicates Z: 15 20.101 1.843 0.628 0.811 0.929 0.786 CB 1.471 15 residues pruned to eliminate duplicates Z: 12 12.817 1.900 0.523 0.889 1.000 0.818 CB 0.961 12 residues pruned to eliminate duplicates Z: 13 11.473 1.730 0.304 0.737 0.917 0.750 CA 1.294 19 residues pruned to eliminate duplicates Z: 12 18.017 1.842 0.766 0.892 1.000 1.000 CB 1.200 12 residues pruned to eliminate duplicates Z: 15 11.191 1.676 0.421 0.723 0.929 0.786 CB 1.106 15 residues pruned to eliminate duplicates Z: 13 12.727 1.863 0.201 0.814 1.000 0.833 CB 1.250 13 residues pruned to eliminate duplicates Z: 14 15.347 1.725 0.578 0.817 1.000 0.769 CB 1.186 14 residues pruned to eliminate duplicates Z: 12 17.569 1.867 0.717 0.861 1.000 0.818 CB 1.214 12 residues pruned to eliminate duplicates Z: 18 13.896 1.738 0.640 0.722 1.000 0.706 CB 0.968 18 residues pruned to eliminate duplicates Z: 13 14.075 1.819 0.416 0.909 1.000 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 15 14.129 1.784 0.311 0.829 1.000 0.857 CB 1.215 15 residues pruned to eliminate duplicates Z: 12 15.208 1.816 0.677 0.826 1.000 1.000 CB 1.136 12 residues pruned to eliminate duplicates Z: 18 10.427 1.664 0.576 0.511 0.765 0.588 CB 1.246 18 residues pruned to eliminate duplicates Z: 15 14.219 1.769 0.508 0.801 1.000 0.857 CB 1.095 15 residues pruned to eliminate duplicates Z: 18 15.049 1.707 0.485 0.713 1.000 0.706 CB 1.187 17 residues pruned to eliminate duplicates Z: 14 17.877 1.772 0.614 0.904 1.000 0.846 CB 1.235 15 residues pruned to eliminate duplicates Z: 13 15.753 1.754 0.457 0.900 1.000 0.833 CB 1.272 13 residues pruned to eliminate duplicates Z: 18 13.943 1.684 0.517 0.633 0.882 0.471 CB 1.325 18 residues pruned to eliminate duplicates Z: 15 15.373 1.776 0.553 0.781 0.929 0.929 CB 1.252 15 residues pruned to eliminate duplicates Z: 15 18.473 1.750 0.674 0.930 1.000 0.857 CB 1.179 15 residues pruned to eliminate duplicates Z: 13 15.347 1.739 0.840 0.877 1.000 0.583 CB 1.006 13 residues pruned to eliminate duplicates Z: 14 16.925 1.720 0.741 0.907 1.000 0.538 CB 1.114 14 residues pruned to eliminate duplicates 6 1.904 1.343 0.419 0.325 0.600 0.200 N 0.903 ? Z: 16 11.138 1.697 0.584 0.538 0.933 0.600 CB 1.104 16 residues pruned to eliminate duplicates 6 1.494 1.240 0.333 0.173 0.800 0.400 CB 0.751 ? Z: 12 15.888 1.879 0.950 0.612 1.000 0.818 CB 1.175 17 residues pruned to eliminate duplicates Z: 6 6.224 1.471 0.987 0.429 1.000 0.800 CB 1.025 4 residues pruned to eliminate duplicates Z: 6 3.711 1.529 0.765 0.408 0.800 0.800 CA 0.847 Z: 10 10.801 1.879 0.750 0.711 0.889 0.778 CB 1.017 16 residues pruned to eliminate duplicates Z: 11 10.450 1.832 0.711 0.640 0.900 0.800 CB 1.028 11 residues pruned to eliminate duplicates Z: 11 10.184 1.961 0.659 0.648 0.900 0.900 CB 0.958 11 residues pruned to eliminate duplicates Z: 14 9.791 1.880 0.553 0.642 0.923 0.846 CB 0.882 14 residues pruned to eliminate duplicates Z: 13 15.141 1.881 0.604 0.695 1.000 0.917 CB 1.212 13 residues pruned to eliminate duplicates Z: 12 11.969 1.997 0.410 0.596 1.000 0.818 CB 1.170 12 residues pruned to eliminate duplicates Z: 13 11.666 1.921 0.606 0.629 0.917 0.833 CB 1.055 13 residues pruned to eliminate duplicates Z: 16 11.053 1.863 0.535 0.568 0.867 0.600 CB 1.079 16 residues pruned to eliminate duplicates 6 1.371 1.682 0.251 0.305 0.400 0.000 CB 0.905 ? Z: 17 10.673 1.848 0.883 0.499 0.750 0.438 CB 1.024 17 residues pruned to eliminate duplicates Z: 13 12.184 1.798 0.467 0.742 0.917 0.833 CB 1.171 13 residues pruned to eliminate duplicates Z: 11 12.891 1.833 0.344 0.744 1.000 0.700 CB 1.331 11 residues pruned to eliminate duplicates Z: 7 9.027 1.901 0.367 0.531 1.000 0.667 CB 1.377 7 residues pruned to eliminate duplicates Z: 15 11.402 1.726 0.328 0.612 1.000 0.714 CB 1.196 15 residues pruned to eliminate duplicates Z: 14 11.125 1.800 0.434 0.748 0.846 0.692 CB 1.132 14 residues pruned to eliminate duplicates Z: 16 15.021 1.803 0.358 0.723 1.000 0.800 CB 1.295 25 residues pruned to eliminate duplicates Z: 16 13.851 1.747 0.403 0.765 0.933 0.600 CB 1.236 16 residues pruned to eliminate duplicates Z: 10 6.881 1.777 0.432 0.356 0.778 0.333 CB 1.353 10 residues pruned to eliminate duplicates Z: 13 9.197 1.675 0.454 0.503 0.917 0.417 CB 1.186 13 residues pruned to eliminate duplicates Z: 16 16.374 1.715 0.346 0.833 1.000 0.867 CA 1.374 16 residues pruned to eliminate duplicates Z: 13 8.134 1.730 0.537 0.528 0.750 0.417 CB 1.145 12 residues pruned to eliminate duplicates Z: 16 15.318 1.785 0.350 0.781 1.000 0.733 CB 1.281 16 residues pruned to eliminate duplicates Z: 16 15.417 1.786 0.345 0.804 0.933 0.800 CB 1.362 16 residues pruned to eliminate duplicates Z: 7 3.865 1.572 0.068 0.554 1.000 0.500 CB 0.892 7 residues pruned to eliminate duplicates Z: 11 8.633 1.657 0.451 0.790 0.900 0.700 CB 0.979 11 residues pruned to eliminate duplicates Z: 10 7.253 1.550 0.715 0.702 0.889 0.778 CB 0.851 10 residues pruned to eliminate duplicates Z: 13 7.607 1.603 0.528 0.695 0.750 0.583 CB 1.000 13 residues pruned to eliminate duplicates Z: 11 7.969 1.621 0.571 0.689 0.900 0.700 CB 0.925 11 residues pruned to eliminate duplicates Z: 12 8.872 1.633 0.665 0.678 0.909 0.364 CB 0.919 12 residues pruned to eliminate duplicates Z: 11 10.970 1.652 0.576 0.822 0.800 0.700 CB 1.260 11 residues pruned to eliminate duplicates Z: 13 9.114 1.660 0.568 0.763 0.833 0.667 CB 0.961 13 residues pruned to eliminate duplicates Z: 16 11.551 1.583 0.575 0.702 0.933 0.667 CB 1.066 15 residues pruned to eliminate duplicates Z: 14 15.796 1.549 0.672 0.888 1.000 0.769 CB 1.218 15 residues pruned to eliminate duplicates Z: 14 14.650 1.534 0.544 0.879 1.000 0.846 CB 1.244 14 residues pruned to eliminate duplicates Z: 11 16.633 1.595 0.908 0.902 1.000 0.900 CB 1.233 11 residues pruned to eliminate duplicates Z: 7 5.030 1.593 0.297 0.569 0.833 0.500 CB 1.116 6 residues pruned to eliminate duplicates Z: 8 5.941 1.646 0.443 0.596 0.714 0.286 CB 1.208 6 residues pruned to eliminate duplicates Z: 8 5.181 1.354 0.378 0.532 1.000 0.571 O 1.017 5 residues pruned to eliminate duplicates Z: 6 2.525 1.621 0.075 0.270 0.800 0.400 CB 1.053 5 residues pruned to eliminate duplicates Z: 6 4.705 1.378 0.608 0.403 1.000 0.600 CA 1.051 6 residues pruned to eliminate duplicates Z: 13 7.470 1.641 0.707 0.405 0.750 0.500 CB 1.134 13 residues pruned to eliminate duplicates Z: 15 4.953 1.456 0.407 0.324 0.857 0.571 CB 0.916 15 residues pruned to eliminate duplicates Z: 14 7.435 1.652 0.544 0.391 0.846 0.462 CB 1.072 60 residues pruned to eliminate duplicates Z: 10 3.172 1.166 0.546 0.299 1.000 0.444 N 0.734 10 residues pruned to eliminate duplicates Z: 16 10.016 1.776 0.616 0.301 0.800 0.467 CB 1.406 16 residues pruned to eliminate duplicates Z: 25 15.947 1.877 0.539 0.507 0.875 0.500 CB 1.279 25 residues pruned to eliminate duplicates Z: 14 6.874 1.667 0.544 0.181 0.923 0.462 CB 1.178 14 residues pruned to eliminate duplicates Z: 29 16.997 1.840 0.582 0.538 0.929 0.464 CB 1.144 29 residues pruned to eliminate duplicates Z: 24 13.945 1.870 0.379 0.537 0.870 0.652 CB 1.251 24 residues pruned to eliminate duplicates Z: 23 15.307 1.818 0.613 0.578 0.864 0.682 CB 1.196 23 residues pruned to eliminate duplicates Z: 24 13.226 1.870 0.501 0.451 0.783 0.478 CB 1.320 24 residues pruned to eliminate duplicates Z: 22 17.482 1.806 0.682 0.696 0.857 0.667 CB 1.225 26 residues pruned to eliminate duplicates Z: 15 16.665 1.862 0.369 0.878 1.000 0.857 CB 1.268 15 residues pruned to eliminate duplicates Z: 38 20.054 1.772 0.644 0.560 0.919 0.622 CB 1.162 38 residues pruned to eliminate duplicates Z: 14 20.189 1.913 0.642 0.883 1.000 0.923 CB 1.289 14 residues pruned to eliminate duplicates Z: 30 15.483 1.848 0.486 0.509 0.828 0.552 CB 1.254 33 residues pruned to eliminate duplicates Z: 12 16.769 1.933 0.352 0.874 1.000 0.818 CB 1.408 12 residues pruned to eliminate duplicates Z: 22 20.459 1.909 0.675 0.727 0.952 0.714 CB 1.195 22 residues pruned to eliminate duplicates Z: 18 14.716 1.792 0.325 0.712 0.941 0.647 CB 1.317 18 residues pruned to eliminate duplicates Z: 25 17.508 1.809 0.705 0.672 0.917 0.708 CB 1.079 25 residues pruned to eliminate duplicates Z: 23 16.801 1.807 0.680 0.658 0.864 0.636 CB 1.180 23 residues pruned to eliminate duplicates Z: 16 17.464 1.803 0.636 0.792 0.933 0.800 CB 1.268 16 residues pruned to eliminate duplicates Z: 38 16.003 1.811 0.476 0.482 0.811 0.622 CB 1.236 38 residues pruned to eliminate duplicates Z: 17 8.731 1.555 0.531 0.369 0.938 0.625 CB 1.126 17 residues pruned to eliminate duplicates Z: 12 6.087 1.742 0.513 0.393 0.727 0.636 CB 1.073 12 residues pruned to eliminate duplicates Z: 21 10.789 1.792 0.518 0.502 0.850 0.600 CB 1.041 21 residues pruned to eliminate duplicates Z: 22 10.688 1.603 0.679 0.443 0.905 0.524 CB 1.017 22 residues pruned to eliminate duplicates Z: 22 17.767 1.846 0.611 0.690 0.952 0.571 CB 1.151 22 residues pruned to eliminate duplicates Z: 20 10.955 1.754 0.449 0.495 0.842 0.632 CB 1.180 20 residues pruned to eliminate duplicates Z: 8 9.106 1.652 0.658 0.606 0.857 0.714 CB 1.325 8 residues pruned to eliminate duplicates Z: 18 8.903 1.847 0.422 0.473 0.824 0.706 CB 1.026 18 residues pruned to eliminate duplicates Z: 12 9.255 1.919 0.394 0.554 0.818 0.636 CB 1.210 12 residues pruned to eliminate duplicates Z: 26 17.440 1.955 0.386 0.580 0.920 0.720 CB 1.294 26 residues pruned to eliminate duplicates Z: 17 9.981 1.842 0.361 0.471 0.875 0.625 CB 1.172 17 residues pruned to eliminate duplicates Z: 18 5.118 1.631 0.253 0.467 0.765 0.588 CB 0.822 18 residues pruned to eliminate duplicates Z: 26 19.057 1.999 0.567 0.547 0.920 0.720 CB 1.263 26 residues pruned to eliminate duplicates Z: 39 23.471 1.993 0.507 0.483 0.947 0.684 CB 1.362 39 residues pruned to eliminate duplicates Z: 28 20.501 1.997 0.532 0.525 0.963 0.704 CB 1.307 28 residues pruned to eliminate duplicates Z: 26 22.443 2.054 0.674 0.562 0.920 0.760 CB 1.336 26 residues pruned to eliminate duplicates Z: 25 18.471 1.981 0.593 0.522 0.958 0.583 CB 1.219 25 residues pruned to eliminate duplicates Z: 35 19.909 1.914 0.590 0.479 0.853 0.529 CB 1.344 35 residues pruned to eliminate duplicates Z: 21 21.923 2.064 0.768 0.551 0.950 0.700 CB 1.346 21 residues pruned to eliminate duplicates Z: 27 25.890 1.963 0.795 0.526 1.000 0.692 CB 1.404 27 residues pruned to eliminate duplicates Z: 51 23.582 1.950 0.619 0.399 0.880 0.540 CB 1.336 51 residues pruned to eliminate duplicates Z: 30 21.254 1.989 0.671 0.501 0.966 0.552 CB 1.228 30 residues pruned to eliminate duplicates Z: 30 20.496 1.992 0.798 0.501 0.828 0.517 CB 1.283 30 residues pruned to eliminate duplicates Z: 26 22.045 2.016 0.481 0.627 0.920 0.840 CB 1.424 23 residues pruned to eliminate duplicates Z: 7 8.120 1.722 0.498 0.679 0.833 0.500 O 1.308 6 residues pruned to eliminate duplicates Z: 6 4.960 1.807 0.524 0.395 0.800 0.200 CB 1.124 6 residues pruned to eliminate duplicates Z: 27 24.008 2.011 0.680 0.567 1.000 0.654 CB 1.307 27 residues pruned to eliminate duplicates Z: 50 27.207 1.996 0.678 0.448 0.878 0.531 CB 1.395 50 residues pruned to eliminate duplicates Z: 52 24.567 1.951 0.699 0.428 0.843 0.451 CB 1.326 52 residues pruned to eliminate duplicates Z: 16 10.808 1.930 0.515 0.319 0.800 0.400 CB 1.456 16 residues pruned to eliminate duplicates Z: 9 6.592 1.764 0.721 0.418 0.750 0.500 CB 1.115 9 residues pruned to eliminate duplicates Z: 11 8.510 1.860 0.781 0.441 0.800 0.600 CB 1.079 Z: 13 8.049 1.771 0.479 0.386 0.750 0.333 CB 1.334 13 residues pruned to eliminate duplicates Z: 6 8.284 1.934 0.532 0.438 1.000 0.600 CB 1.334 6 residues pruned to eliminate duplicates Z: 15 9.410 1.770 0.680 0.297 0.857 0.500 CB 1.237 26 residues pruned to eliminate duplicates Z: 11 7.123 1.747 0.425 0.358 0.800 0.600 CB 1.318 11 residues pruned to eliminate duplicates Z: 16 10.929 1.777 0.495 0.307 1.000 0.600 CB 1.317 16 residues pruned to eliminate duplicates Z: 20 11.700 1.803 0.430 0.426 0.895 0.421 CB 1.257 20 residues pruned to eliminate duplicates Z: 47 28.190 1.968 0.660 0.521 0.891 0.565 CB 1.397 47 residues pruned to eliminate duplicates Z: 32 19.134 1.933 0.507 0.394 0.903 0.516 CB 1.462 32 residues pruned to eliminate duplicates Z: 22 15.420 1.965 0.355 0.394 0.952 0.524 CB 1.485 22 residues pruned to eliminate duplicates Z: 42 19.246 1.890 0.633 0.418 0.805 0.463 CB 1.318 42 residues pruned to eliminate duplicates Z: 29 13.477 1.955 0.403 0.361 0.821 0.500 CB 1.313 29 residues pruned to eliminate duplicates Z: 51 27.304 1.964 0.677 0.490 0.920 0.660 CB 1.288 51 residues pruned to eliminate duplicates Z: 29 15.294 1.918 0.494 0.413 0.857 0.500 CB 1.289 29 residues pruned to eliminate duplicates Z: 26 17.504 1.957 0.550 0.392 0.880 0.560 CB 1.470 26 residues pruned to eliminate duplicates Z: 30 16.954 1.882 0.444 0.501 0.897 0.414 CB 1.291 30 residues pruned to eliminate duplicates Z: 29 20.799 1.931 0.526 0.518 0.964 0.607 CB 1.359 29 residues pruned to eliminate duplicates Z: 33 18.288 1.843 0.496 0.465 0.844 0.438 CB 1.439 33 residues pruned to eliminate duplicates Z: 27 20.689 1.959 0.636 0.463 0.923 0.538 CB 1.423 27 residues pruned to eliminate duplicates Z: 32 18.524 1.969 0.504 0.403 0.839 0.452 CB 1.483 32 residues pruned to eliminate duplicates Z: 38 22.578 1.926 0.653 0.478 0.865 0.568 CB 1.378 38 residues pruned to eliminate duplicates Z: 42 19.683 1.861 0.588 0.462 0.878 0.463 CB 1.232 42 residues pruned to eliminate duplicates Z: 16 13.262 1.889 0.815 0.475 0.867 0.400 CB 1.182 16 residues pruned to eliminate duplicates Z: 22 15.812 1.947 0.540 0.455 0.905 0.524 CB 1.332 22 residues pruned to eliminate duplicates Z: 27 23.114 1.947 0.725 0.540 0.962 0.654 CB 1.350 27 residues pruned to eliminate duplicates Z: 62 26.731 1.840 0.630 0.462 0.902 0.525 CB 1.316 62 residues pruned to eliminate duplicates Z: 32 17.584 1.857 0.534 0.487 0.903 0.548 CB 1.244 32 residues pruned to eliminate duplicates Z: 30 18.288 1.900 0.527 0.479 0.931 0.586 CB 1.285 30 residues pruned to eliminate duplicates Z: 18 20.453 1.858 0.707 0.527 1.000 0.588 CA 1.523 17 residues pruned to eliminate duplicates Z: 10 13.599 1.823 0.370 0.888 0.889 0.889 N 1.471 10 residues pruned to eliminate duplicates Z: 15 11.947 1.710 0.311 0.548 0.929 0.714 N 1.464 15 residues pruned to eliminate duplicates Z: 11 15.849 1.853 0.525 0.664 1.000 0.700 CB 1.524 11 residues pruned to eliminate duplicates Z: 38 17.912 1.827 0.513 0.369 0.865 0.514 CB 1.418 38 residues pruned to eliminate duplicates Z: 17 17.139 1.870 0.578 0.536 0.938 0.562 CB 1.496 17 residues pruned to eliminate duplicates Z: 49 21.819 1.879 0.603 0.446 0.854 0.500 CB 1.293 49 residues pruned to eliminate duplicates Z: 36 22.045 1.906 0.515 0.466 0.971 0.657 CB 1.375 36 residues pruned to eliminate duplicates Z: 53 21.706 1.878 0.585 0.396 0.865 0.596 CB 1.304 53 residues pruned to eliminate duplicates Z: 39 21.892 1.847 0.598 0.434 0.921 0.658 CB 1.399 38 residues pruned to eliminate duplicates Z: 7 11.724 1.841 0.590 0.644 1.000 0.667 CB 1.430 8 residues pruned to eliminate duplicates Z: 8 5.584 1.272 0.964 0.711 0.857 0.429 N 0.814 8 residues pruned to eliminate duplicates Z: 12 11.405 1.953 0.440 0.408 1.000 0.727 CB 1.347 12 residues pruned to eliminate duplicates Z: 8 6.648 1.625 0.715 0.514 0.714 0.286 CB 1.245 8 residues pruned to eliminate duplicates Z: 12 8.773 1.874 0.353 0.458 0.909 0.455 CB 1.198 12 residues pruned to eliminate duplicates Z: 13 11.674 1.879 0.507 0.546 1.000 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 14 10.993 1.876 0.452 0.470 0.923 0.385 CB 1.250 14 residues pruned to eliminate duplicates Z: 8 6.722 1.699 0.509 0.509 0.714 0.714 CA 1.375 8 residues pruned to eliminate duplicates Z: 12 6.239 1.740 0.507 0.503 0.818 0.455 CB 0.874 12 residues pruned to eliminate duplicates Z: 13 10.308 1.908 0.377 0.536 1.000 0.583 CB 1.093 13 residues pruned to eliminate duplicates Z: 11 4.896 1.765 0.440 0.431 0.800 0.400 CB 0.817 11 residues pruned to eliminate duplicates Z: 15 9.889 1.786 0.341 0.567 0.857 0.571 CB 1.206 15 residues pruned to eliminate duplicates Z: 14 12.280 1.835 0.538 0.492 0.923 0.615 CB 1.318 15 residues pruned to eliminate duplicates Z: 13 17.344 1.788 0.528 0.895 1.000 0.750 CB 1.313 13 residues pruned to eliminate duplicates Z: 24 12.403 1.655 0.423 0.561 0.870 0.565 CB 1.191 16 residues pruned to eliminate duplicates Z: 12 15.746 1.752 0.518 0.886 1.000 0.818 CB 1.289 12 residues pruned to eliminate duplicates Z: 14 16.476 1.795 0.473 0.754 1.000 0.923 CB 1.379 14 residues pruned to eliminate duplicates Z: 16 14.826 1.780 0.428 0.697 0.933 0.733 CB 1.347 16 residues pruned to eliminate duplicates Z: 17 14.856 1.749 0.545 0.662 0.875 0.812 CB 1.352 17 residues pruned to eliminate duplicates Z: 13 18.112 1.861 0.458 0.864 1.000 0.917 CB 1.413 13 residues pruned to eliminate duplicates Z: 19 12.434 1.714 0.473 0.664 0.944 0.722 CB 1.056 19 residues pruned to eliminate duplicates Z: 17 14.382 1.704 0.544 0.659 0.938 0.625 CB 1.258 17 residues pruned to eliminate duplicates Z: 21 13.468 1.722 0.486 0.607 0.850 0.650 CB 1.251 21 residues pruned to eliminate duplicates Z: 22 12.481 1.704 0.532 0.588 0.857 0.619 CB 1.119 22 residues pruned to eliminate duplicates Z: 18 14.532 1.704 0.493 0.589 1.000 0.529 CB 1.272 20 residues pruned to eliminate duplicates Z: 15 14.089 1.653 0.595 0.714 0.929 0.786 CB 1.267 15 residues pruned to eliminate duplicates Z: 25 16.034 1.678 0.624 0.563 0.875 0.625 CB 1.292 34 residues pruned to eliminate duplicates Z: 9 5.008 1.573 0.254 0.603 0.750 0.625 CB 1.084 8 residues pruned to eliminate duplicates Z: 7 9.155 1.805 0.378 0.608 1.000 0.500 CB 1.356 8 residues pruned to eliminate duplicates Z: 8 3.221 1.292 0.085 0.754 1.000 0.571 N 0.693 8 residues pruned to eliminate duplicates Z: 21 6.198 1.675 0.027 0.241 0.850 0.300 CB 1.279 20 residues pruned to eliminate duplicates Z: 7 6.385 1.660 0.461 0.540 0.833 0.833 CB 1.241 5 residues pruned to eliminate duplicates Z: 12 5.750 1.461 0.281 0.664 0.727 0.364 CB 1.094 12 residues pruned to eliminate duplicates Z: 14 5.725 1.631 0.303 0.371 0.692 0.308 CB 1.239 14 residues pruned to eliminate duplicates Z: 7 3.479 1.299 0.557 0.360 0.833 0.667 N 0.979 15 residues pruned to eliminate duplicates Z: 6 4.192 1.659 0.185 0.213 1.000 0.800 O 1.337 6 residues pruned to eliminate duplicates Z: 8 3.991 1.652 0.543 0.302 0.571 0.286 N 1.291 8 residues pruned to eliminate duplicates Z: 6 6.376 1.521 0.675 0.475 1.000 1.000 CA 1.148 Z: 9 4.723 1.541 0.353 0.354 0.875 0.500 CB 1.071 9 residues pruned to eliminate duplicates Z: 8 4.748 1.808 0.469 0.280 0.714 0.429 CB 1.212 8 residues pruned to eliminate duplicates Z: 13 9.074 1.710 0.688 0.253 0.917 0.583 CB 1.314 12 residues pruned to eliminate duplicates Z: 7 2.332 1.376 0.150 0.337 0.667 0.333 O 1.079 7 residues pruned to eliminate duplicates Z: 15 6.801 1.610 0.670 0.227 0.857 0.429 CB 1.085 14 residues pruned to eliminate duplicates Z: 8 6.800 1.568 0.483 0.374 1.000 0.857 CB 1.264 9 residues pruned to eliminate duplicates Z: 7 4.229 1.385 0.617 0.263 0.833 0.667 N 1.213 7 residues pruned to eliminate duplicates Z: 17 8.275 1.607 0.608 0.277 0.812 0.375 CB 1.268 13 residues pruned to eliminate duplicates Z: 8 3.623 1.361 0.341 0.320 0.714 0.286 N 1.281 8 residues pruned to eliminate duplicates Z: 14 5.022 1.552 0.406 0.176 0.846 0.385 CB 1.116 14 residues pruned to eliminate duplicates Z: 16 6.677 1.536 0.656 0.259 0.800 0.467 CB 1.116 16 residues pruned to eliminate duplicates Z: 11 4.879 1.619 0.419 0.489 0.700 0.500 CB 0.970 7 1.492 1.111 0.680 0.239 0.667 0.500 CB 0.663 ? Z: 19 10.724 1.616 0.228 0.744 0.944 0.667 CB 1.084 15 residues pruned to eliminate duplicates Z: 16 11.211 1.607 0.473 0.797 1.000 0.867 CB 0.943 16 residues pruned to eliminate duplicates Z: 10 4.834 1.518 0.542 0.467 0.778 0.444 CB 0.915 10 residues pruned to eliminate duplicates Z: 16 12.736 1.645 0.567 0.666 0.933 0.667 CB 1.172 16 residues pruned to eliminate duplicates Z: 25 13.433 1.594 0.479 0.591 1.000 0.708 CB 1.066 21 residues pruned to eliminate duplicates Z: 13 17.283 1.765 0.765 0.774 0.917 0.500 CB 1.371 13 residues pruned to eliminate duplicates Z: 14 11.106 1.717 0.798 0.601 0.846 0.692 CB 1.071 14 residues pruned to eliminate duplicates Z: 14 10.481 1.720 0.766 0.656 0.846 0.769 CB 0.978 14 residues pruned to eliminate duplicates Z: 18 10.216 1.595 0.598 0.611 0.882 0.588 CB 0.992 18 residues pruned to eliminate duplicates Z: 11 9.029 1.611 0.815 0.508 0.900 0.600 CB 1.077 11 residues pruned to eliminate duplicates Z: 10 3.636 1.647 0.138 0.422 0.778 0.444 CB 0.902 10 residues pruned to eliminate duplicates Z: 16 10.781 1.743 0.686 0.455 0.800 0.467 CB 1.240 16 residues pruned to eliminate duplicates Z: 15 7.575 1.759 0.595 0.428 0.786 0.357 CB 0.990 15 residues pruned to eliminate duplicates Z: 10 7.578 1.758 0.599 0.358 1.000 0.667 CB 1.047 10 residues pruned to eliminate duplicates Z: 21 11.109 1.732 0.540 0.504 0.850 0.400 CB 1.091 21 residues pruned to eliminate duplicates Z: 32 16.867 1.738 0.490 0.536 0.935 0.645 CB 1.207 32 residues pruned to eliminate duplicates Z: 26 14.531 1.769 0.480 0.538 0.920 0.640 CB 1.163 26 residues pruned to eliminate duplicates Z: 32 16.670 1.837 0.536 0.516 0.871 0.645 CB 1.199 31 residues pruned to eliminate duplicates Z: 8 9.004 1.888 0.096 0.635 1.000 0.571 CB 1.448 8 residues pruned to eliminate duplicates Z: 19 11.385 1.814 0.403 0.512 0.833 0.556 CB 1.250 19 residues pruned to eliminate duplicates Z: 32 17.398 1.793 0.624 0.587 0.871 0.516 CB 1.134 33 residues pruned to eliminate duplicates Z: 6 8.090 1.676 0.833 0.737 1.000 0.400 N 0.952 6 residues pruned to eliminate duplicates Z: 10 9.956 1.794 0.534 0.660 0.889 0.778 CB 1.169 10 residues pruned to eliminate duplicates Z: 20 13.957 1.770 0.502 0.555 0.895 0.632 CB 1.276 19 residues pruned to eliminate duplicates Z: 8 9.942 1.681 0.635 0.618 1.000 0.429 CB 1.223 8 residues pruned to eliminate duplicates Z: 10 13.719 1.888 0.782 0.566 0.889 0.667 CB 1.435 10 residues pruned to eliminate duplicates Z: 11 13.024 1.835 0.616 0.507 1.000 0.700 CB 1.380 11 residues pruned to eliminate duplicates Z: 11 12.350 1.812 0.618 0.479 1.000 0.800 CB 1.361 11 residues pruned to eliminate duplicates Z: 10 5.610 1.839 0.267 0.408 0.667 0.667 CB 1.326 10 residues pruned to eliminate duplicates Z: 9 7.765 1.924 0.196 0.417 0.875 0.500 CB 1.486 9 residues pruned to eliminate duplicates Z: 19 10.335 1.659 0.560 0.438 0.833 0.444 CB 1.204 19 residues pruned to eliminate duplicates Z: 25 9.801 1.694 0.469 0.297 0.875 0.625 CB 1.152 25 residues pruned to eliminate duplicates Z: 12 13.491 1.865 0.584 0.515 1.000 0.636 CB 1.358 12 residues pruned to eliminate duplicates Z: 21 16.048 1.769 0.366 0.635 1.000 0.700 CB 1.309 21 residues pruned to eliminate duplicates Z: 19 17.046 1.745 0.493 0.576 1.000 0.778 CB 1.433 19 residues pruned to eliminate duplicates Z: 29 16.528 1.729 0.442 0.595 0.964 0.786 CB 1.186 29 residues pruned to eliminate duplicates Z: 26 19.645 1.798 0.506 0.619 1.000 0.760 CB 1.296 26 residues pruned to eliminate duplicates Z: 17 14.972 1.731 0.659 0.473 0.938 0.625 CB 1.429 17 residues pruned to eliminate duplicates Z: 22 20.397 1.768 0.560 0.634 1.000 0.667 CB 1.423 22 residues pruned to eliminate duplicates Z: 22 15.858 1.692 0.655 0.565 0.952 0.714 CB 1.219 22 residues pruned to eliminate duplicates Z: 20 15.905 1.726 0.594 0.597 0.947 0.684 CB 1.277 20 residues pruned to eliminate duplicates Z: 27 17.594 1.752 0.496 0.582 0.962 0.808 CB 1.265 27 residues pruned to eliminate duplicates Z: 29 19.761 1.762 0.604 0.591 0.929 0.714 CB 1.304 29 residues pruned to eliminate duplicates Z: 33 15.671 1.647 0.599 0.550 0.938 0.594 CB 1.069 33 residues pruned to eliminate duplicates Z: 46 22.312 1.759 0.569 0.558 0.889 0.689 CB 1.282 46 residues pruned to eliminate duplicates Z: 27 18.130 1.764 0.654 0.570 0.923 0.615 CB 1.234 27 residues pruned to eliminate duplicates Z: 29 21.453 1.777 0.748 0.538 0.964 0.821 CB 1.304 29 residues pruned to eliminate duplicates Z: 28 19.360 1.782 0.633 0.575 0.926 0.667 CB 1.287 28 residues pruned to eliminate duplicates Z: 26 13.071 1.795 0.361 0.473 0.880 0.480 CB 1.250 26 residues pruned to eliminate duplicates Z: 39 21.800 1.809 0.502 0.555 0.921 0.632 CB 1.340 39 residues pruned to eliminate duplicates Z: 31 19.938 1.740 0.637 0.531 0.933 0.767 CB 1.328 31 residues pruned to eliminate duplicates Z: 31 19.726 1.784 0.631 0.550 0.967 0.767 CB 1.219 31 residues pruned to eliminate duplicates Z: 31 19.305 1.745 0.615 0.570 0.933 0.733 CB 1.253 31 residues pruned to eliminate duplicates Z: 25 17.094 1.713 0.600 0.655 0.875 0.667 CB 1.259 25 residues pruned to eliminate duplicates Z: 39 21.628 1.765 0.541 0.525 0.921 0.605 CB 1.366 39 residues pruned to eliminate duplicates Z: 40 21.912 1.749 0.614 0.530 0.923 0.615 CB 1.307 40 residues pruned to eliminate duplicates Z: 28 13.992 1.763 0.575 0.517 0.815 0.630 CB 1.170 28 residues pruned to eliminate duplicates Z: 21 7.690 1.852 0.315 0.339 0.700 0.400 CB 1.203 21 residues pruned to eliminate duplicates Z: 7 3.226 1.804 -0.320 0.450 0.833 0.333 CB 1.356 7 residues pruned to eliminate duplicates Z: 9 6.506 1.809 0.039 0.436 0.875 0.625 CB 1.493 9 residues pruned to eliminate duplicates Z: 42 24.435 1.829 0.579 0.581 0.902 0.732 CB 1.354 42 residues pruned to eliminate duplicates Z: 13 5.477 1.768 0.210 0.413 0.667 0.500 CB 1.214 13 residues pruned to eliminate duplicates Z: 15 7.353 1.751 0.385 0.444 0.714 0.571 N 1.202 15 residues pruned to eliminate duplicates Z: 30 12.561 1.827 0.543 0.374 0.793 0.552 CB 1.194 30 residues pruned to eliminate duplicates Z: 14 5.985 1.801 0.448 0.406 0.692 0.462 CB 1.014 14 residues pruned to eliminate duplicates Z: 15 5.229 1.750 0.308 0.375 0.714 0.286 CB 0.977 15 residues pruned to eliminate duplicates Z: 21 6.793 1.763 0.296 0.257 0.750 0.500 CB 1.171 21 residues pruned to eliminate duplicates Z: 49 22.373 1.782 0.633 0.520 0.958 0.625 CB 1.136 49 residues pruned to eliminate duplicates Z: 20 11.762 1.791 0.624 0.433 0.895 0.579 CB 1.112 22 residues pruned to eliminate duplicates Z: 6 3.718 1.647 0.066 0.254 1.000 0.400 CA 1.257 6 residues pruned to eliminate duplicates Z: 50 20.766 1.809 0.543 0.452 0.898 0.653 CB 1.244 50 residues pruned to eliminate duplicates Z: 9 4.284 1.798 0.323 0.420 0.750 0.500 CB 0.923 9 residues pruned to eliminate duplicates Z: 18 10.614 1.882 0.670 0.371 0.824 0.529 CB 1.141 18 residues pruned to eliminate duplicates Z: 41 13.167 1.697 0.443 0.404 0.850 0.525 CB 1.107 30 residues pruned to eliminate duplicates Z: 23 7.270 1.654 0.379 0.551 0.818 0.545 CB 0.791 23 residues pruned to eliminate duplicates Z: 19 14.128 1.827 0.523 0.698 1.000 0.778 CB 0.998 12 residues pruned to eliminate duplicates Z: 14 16.831 1.911 0.389 0.754 1.000 0.923 CA 1.402 14 residues pruned to eliminate duplicates Z: 14 13.615 1.910 0.465 0.725 1.000 0.615 CB 1.101 14 residues pruned to eliminate duplicates Z: 12 15.020 1.971 0.444 0.728 1.000 0.545 CB 1.297 12 residues pruned to eliminate duplicates Z: 14 16.624 1.971 0.427 0.728 1.000 0.615 CB 1.334 14 residues pruned to eliminate duplicates Z: 15 13.985 1.865 0.447 0.698 0.929 0.714 CB 1.245 15 residues pruned to eliminate duplicates Z: 14 15.845 1.956 0.370 0.824 1.000 0.846 CB 1.239 14 residues pruned to eliminate duplicates Z: 14 15.343 1.919 0.401 0.736 1.000 0.846 CB 1.281 14 residues pruned to eliminate duplicates Z: 16 13.235 1.830 0.642 0.676 1.000 0.800 CB 0.967 16 residues pruned to eliminate duplicates Z: 14 12.332 1.876 0.693 0.671 0.923 0.769 CB 0.996 14 residues pruned to eliminate duplicates Z: 14 13.593 1.877 0.727 0.737 0.846 0.769 CB 1.111 14 residues pruned to eliminate duplicates Z: 22 12.580 1.816 0.416 0.451 0.952 0.571 CB 1.179 22 residues pruned to eliminate duplicates Z: 27 14.139 1.810 0.688 0.425 0.962 0.615 CB 1.020 25 residues pruned to eliminate duplicates Z: 13 13.706 1.874 0.367 0.688 1.000 0.583 CB 1.300 13 residues pruned to eliminate duplicates Z: 27 13.938 1.804 0.693 0.438 0.885 0.538 CB 1.079 27 residues pruned to eliminate duplicates Z: 36 13.174 1.748 0.546 0.421 0.857 0.657 CB 1.043 29 residues pruned to eliminate duplicates Z: 6 2.501 1.407 0.675 0.312 0.600 0.400 N 0.975 Z: 7 4.161 1.646 -0.085 0.465 1.000 0.333 CB 1.169 15 residues pruned to eliminate duplicates Z: 6 4.996 1.440 0.913 0.411 1.000 0.800 CB 0.890 Z: 9 8.392 1.343 0.511 0.849 1.000 0.875 CB 1.084 19 residues pruned to eliminate duplicates Z: 9 4.828 1.331 0.602 0.771 0.625 0.500 CB 1.009 9 residues pruned to eliminate duplicates Z: 11 5.545 1.389 0.568 0.596 1.000 0.600 CB 0.735 11 residues pruned to eliminate duplicates Z: 7 7.581 1.358 0.617 0.791 1.000 0.333 O 1.091 6 residues pruned to eliminate duplicates Z: 10 13.617 1.621 0.662 0.681 1.000 0.778 CB 1.427 13 residues pruned to eliminate duplicates Z: 6 14.665 1.937 0.490 0.821 1.000 0.800 O 1.720 6 residues pruned to eliminate duplicates Z: 13 8.830 1.753 0.169 0.505 0.917 0.583 CB 1.349 13 residues pruned to eliminate duplicates Z: 9 5.903 1.757 -0.119 0.592 1.000 0.875 CB 1.236 9 residues pruned to eliminate duplicates Z: 14 7.037 1.715 0.270 0.400 0.923 0.385 CB 1.079 14 residues pruned to eliminate duplicates Z: 14 13.084 1.775 0.529 0.506 1.000 0.692 CB 1.329 9 residues pruned to eliminate duplicates Z: 10 7.675 1.639 0.168 0.634 1.000 0.667 CA 1.178 10 residues pruned to eliminate duplicates Z: 14 11.378 1.778 0.443 0.500 0.923 0.769 CB 1.332 14 residues pruned to eliminate duplicates Z: 16 7.089 1.622 0.151 0.374 0.933 0.533 CB 1.201 16 residues pruned to eliminate duplicates Z: 15 6.846 1.634 0.560 0.321 0.786 0.429 CB 1.114 15 residues pruned to eliminate duplicates Z: 17 13.610 1.823 0.574 0.593 0.812 0.562 CB 1.335 16 residues pruned to eliminate duplicates Z: 13 15.010 1.870 0.327 0.801 1.000 0.833 CB 1.342 13 residues pruned to eliminate duplicates Z: 16 9.235 1.686 0.478 0.458 0.800 0.400 N 1.249 16 residues pruned to eliminate duplicates Z: 12 15.700 1.821 0.480 0.743 1.000 0.818 CA 1.413 12 residues pruned to eliminate duplicates Z: 27 16.333 1.861 0.427 0.563 0.846 0.692 CB 1.342 27 residues pruned to eliminate duplicates Z: 14 6.820 1.766 0.229 0.487 0.769 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 22 13.128 1.726 0.548 0.483 0.905 0.619 CB 1.207 22 residues pruned to eliminate duplicates Z: 23 16.459 1.894 0.455 0.612 0.864 0.545 CB 1.326 23 residues pruned to eliminate duplicates Z: 31 20.772 1.916 0.486 0.584 0.867 0.667 CB 1.418 31 residues pruned to eliminate duplicates Z: 29 15.544 1.838 0.292 0.626 0.893 0.786 CB 1.231 29 residues pruned to eliminate duplicates Z: 20 18.552 1.871 0.576 0.604 1.000 0.789 CB 1.307 20 residues pruned to eliminate duplicates Z: 18 21.994 1.998 0.556 0.762 1.000 0.765 CA 1.359 18 residues pruned to eliminate duplicates Z: 18 23.630 1.999 0.563 0.808 1.000 0.824 CA 1.402 18 residues pruned to eliminate duplicates Z: 18 19.138 1.983 0.362 0.759 0.941 0.765 CB 1.451 18 residues pruned to eliminate duplicates Z: 18 18.907 2.030 0.414 0.742 0.882 0.824 CB 1.458 18 residues pruned to eliminate duplicates Z: 19 17.480 1.975 0.421 0.731 0.944 0.667 CA 1.262 19 residues pruned to eliminate duplicates Z: 22 22.917 1.926 0.554 0.685 1.000 0.714 CA 1.410 22 residues pruned to eliminate duplicates Z: 30 23.058 1.885 0.549 0.620 0.931 0.724 CB 1.407 30 residues pruned to eliminate duplicates Z: 29 18.425 1.907 0.592 0.536 0.857 0.571 CB 1.291 29 residues pruned to eliminate duplicates Z: 34 15.942 1.839 0.560 0.482 0.818 0.485 CB 1.204 34 residues pruned to eliminate duplicates Z: 21 20.154 1.956 0.478 0.646 0.950 0.800 CA 1.432 21 residues pruned to eliminate duplicates Z: 31 22.185 1.941 0.538 0.575 0.900 0.533 CB 1.403 31 residues pruned to eliminate duplicates Z: 31 24.099 1.913 0.635 0.563 0.900 0.600 CB 1.470 31 residues pruned to eliminate duplicates Z: 34 23.431 1.890 0.610 0.598 0.879 0.515 CB 1.390 34 residues pruned to eliminate duplicates Z: 29 20.296 1.963 0.411 0.562 0.857 0.607 CA 1.520 29 residues pruned to eliminate duplicates Z: 13 7.906 1.783 0.567 0.353 0.667 0.583 CB 1.435 13 residues pruned to eliminate duplicates Z: 11 11.253 1.861 0.741 0.444 0.800 0.600 CB 1.455 11 residues pruned to eliminate duplicates Z: 10 12.515 1.757 0.571 0.605 0.889 0.667 N 1.539 10 residues pruned to eliminate duplicates 802 residues left after pruning, divided into chains as follows: A: 14 B: 8 C: 7 D: 9 E: 9 F: 7 G: 8 H: 8 I: 9 J: 42 K: 6 L: 7 M: 14 N: 107 O: 20 P: 17 Q: 16 R: 7 S: 34 T: 9 U: 15 V: 16 W: 14 X: 50 Y: 68 Z: 6 Z: 39 Z: 25 Z: 41 Z: 64 Z: 35 Z: 28 Z: 43 CC for partial structure against native data = 30.41 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.461, Connect. = 0.664 for dens.mod. cycle 1 = 0.300, Contrast = 0.535, Connect. = 0.690 for dens.mod. cycle 2 = 0.300, Contrast = 0.627, Connect. = 0.723 for dens.mod. cycle 3 = 0.300, Contrast = 0.641, Connect. = 0.728 for dens.mod. cycle 4 = 0.300, Contrast = 0.653, Connect. = 0.731 for dens.mod. cycle 5 = 0.300, Contrast = 0.658, Connect. = 0.734 for dens.mod. cycle 6 = 0.300, Contrast = 0.662, Connect. = 0.736 for dens.mod. cycle 7 = 0.300, Contrast = 0.664, Connect. = 0.738 for dens.mod. cycle 8 = 0.300, Contrast = 0.665, Connect. = 0.739 for dens.mod. cycle 9 = 0.300, Contrast = 0.665, Connect. = 0.740 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4030 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1078 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 11.924 1.618 0.564 0.745 1.000 0.625 CB 1.337 B: 15 24.318 1.915 0.948 0.849 1.000 0.857 CB 1.291 C: 14 16.557 2.087 0.695 0.619 0.923 0.692 CB 1.256 D: 12 17.904 2.034 0.540 0.881 0.909 0.818 CB 1.372 12 residues pruned to eliminate duplicates E: 15 23.273 1.975 0.611 0.845 1.000 0.714 CB 1.453 15 residues pruned to eliminate duplicates F: 13 25.238 2.107 0.728 0.845 1.000 0.833 CB 1.488 13 residues pruned to eliminate duplicates G: 7 16.122 2.124 0.570 0.682 1.000 0.667 CB 1.670 H: 13 7.744 1.629 0.333 0.508 0.917 0.500 CB 1.115 I: 15 13.426 1.831 0.366 0.896 0.929 0.857 CB 1.106 J: 8 11.377 1.809 0.418 0.843 0.857 0.857 CA 1.456 8 residues pruned to eliminate duplicates K: 16 15.371 1.813 1.050 0.380 0.933 0.333 CB 1.300 L: 15 28.912 1.981 0.841 0.907 1.000 0.857 CB 1.506 15 residues pruned to eliminate duplicates M: 6 6.312 1.942 -0.070 0.814 0.800 0.600 CB 1.488 6 residues pruned to eliminate duplicates N: 16 10.716 1.968 0.356 0.486 0.867 0.667 CB 1.214 7 residues pruned to eliminate duplicates O: 7 3.572 1.928 0.664 0.697 0.667 0.667 CB 0.570 P: 13 12.932 1.893 0.538 0.810 0.750 0.750 CB 1.305 Q: 14 14.860 1.870 0.689 0.847 0.923 0.769 CB 1.050 13 residues pruned to eliminate duplicates R: 15 21.109 1.755 0.599 0.919 1.000 0.929 CB 1.416 S: 8 9.427 1.909 0.059 0.842 1.000 0.857 CB 1.313 T: 18 10.023 1.743 0.638 0.335 0.824 0.235 CB 1.239 16 residues pruned to eliminate duplicates U: 16 17.599 1.968 0.869 0.642 0.867 0.667 CB 1.248 15 residues pruned to eliminate duplicates V: 7 6.646 1.787 0.599 0.464 0.833 0.500 CB 1.182 6 residues pruned to eliminate duplicates W: 10 4.627 1.597 0.668 0.269 0.667 0.333 CB 1.130 X: 13 16.377 1.912 0.620 0.810 1.000 0.917 CB 1.165 14 residues pruned to eliminate duplicates Y: 6 11.303 1.834 0.617 0.822 1.000 1.000 CB 1.289 Z: 13 15.949 1.861 0.536 0.800 0.917 0.583 CB 1.352 13 residues pruned to eliminate duplicates Z: 8 15.219 1.860 0.516 0.800 1.000 0.714 N 1.569 6 1.642 1.688 0.054 0.613 0.800 0.800 CB 0.463 ? Z: 15 21.200 1.930 0.819 0.834 0.929 0.714 CB 1.303 15 residues pruned to eliminate duplicates Z: 18 20.104 1.864 0.684 0.826 0.824 0.765 CB 1.422 18 residues pruned to eliminate duplicates Z: 10 5.261 1.884 0.281 0.407 0.778 0.222 CB 1.030 10 residues pruned to eliminate duplicates Z: 16 14.412 1.774 0.393 0.899 1.000 0.867 CB 1.076 15 residues pruned to eliminate duplicates Z: 13 11.527 1.690 0.573 0.727 0.833 0.750 CB 1.224 Z: 9 8.247 2.024 0.453 0.447 0.750 0.375 CB 1.396 8 residues pruned to eliminate duplicates Z: 6 2.359 1.535 0.449 0.699 0.800 0.600 CB 0.495 Z: 6 11.243 1.888 0.526 0.778 1.000 0.600 N 1.366 Z: 10 3.152 1.578 0.127 0.367 0.667 0.444 CB 1.022 Z: 14 10.327 1.741 0.744 0.339 0.923 0.385 N 1.218 Z: 8 8.406 1.763 0.250 0.718 0.857 0.571 CA 1.380 8 residues pruned to eliminate duplicates Z: 10 17.248 1.955 0.656 0.812 1.000 0.778 CB 1.354 7 residues pruned to eliminate duplicates Z: 7 5.730 1.574 0.618 0.677 0.833 0.667 CB 0.936 Z: 17 18.286 1.818 0.712 0.884 1.000 0.688 CB 1.061 Z: 14 17.028 1.801 0.680 0.772 1.000 0.846 CB 1.227 14 residues pruned to eliminate duplicates Z: 13 10.494 1.662 0.548 0.786 1.000 0.917 CB 0.916 Z: 13 16.338 1.803 0.593 0.880 0.917 0.750 CB 1.298 13 residues pruned to eliminate duplicates Z: 27 16.750 1.866 0.435 0.619 0.885 0.500 CB 1.239 9 residues pruned to eliminate duplicates Z: 9 8.690 1.560 0.705 0.673 0.875 0.500 N 1.126 Z: 24 13.421 1.805 0.396 0.617 0.870 0.435 CB 1.143 13 residues pruned to eliminate duplicates Z: 10 7.552 1.989 -0.031 0.916 1.000 1.000 CB 0.922 Z: 11 9.781 1.902 0.569 0.328 0.900 0.600 N 1.392 Z: 8 10.636 1.671 0.712 0.705 1.000 0.714 CB 1.166 9 residues pruned to eliminate duplicates Z: 10 12.899 1.744 0.613 0.844 0.889 0.556 CB 1.279 9 residues pruned to eliminate duplicates Z: 10 8.146 1.701 0.220 0.469 1.000 0.444 CB 1.351 Z: 10 9.445 1.581 0.337 0.904 1.000 1.000 CB 1.061 Z: 15 14.652 1.819 0.411 0.808 1.000 0.786 CB 1.166 Z: 8 13.674 1.860 0.759 0.830 0.857 0.571 CB 1.385 8 residues pruned to eliminate duplicates Z: 9 10.343 1.724 0.698 0.491 0.875 0.500 CB 1.441 Z: 13 15.638 1.707 0.720 0.803 1.000 0.750 CB 1.181 Z: 15 16.411 1.672 0.628 0.884 1.000 0.857 CB 1.164 Z: 14 16.898 1.765 0.726 0.864 0.923 0.846 CB 1.223 14 residues pruned to eliminate duplicates Z: 14 16.888 1.852 0.394 0.850 1.000 0.923 CB 1.344 13 residues pruned to eliminate duplicates Z: 29 18.639 1.931 0.465 0.523 0.893 0.571 CB 1.363 15 residues pruned to eliminate duplicates Z: 9 12.659 1.968 0.831 0.478 0.875 0.625 CB 1.452 8 residues pruned to eliminate duplicates Z: 15 15.277 1.837 0.319 0.853 1.000 0.857 CB 1.246 16 residues pruned to eliminate duplicates Z: 7 4.856 1.640 0.451 0.388 0.667 0.667 CB 1.407 7 residues pruned to eliminate duplicates Z: 14 15.341 1.818 0.290 0.858 1.000 0.923 CB 1.336 14 residues pruned to eliminate duplicates Z: 16 16.333 1.819 0.633 0.727 0.933 0.667 CB 1.240 15 residues pruned to eliminate duplicates Z: 16 20.303 2.053 0.795 0.612 0.933 0.733 CB 1.371 16 residues pruned to eliminate duplicates Z: 8 6.513 1.792 0.621 0.502 0.857 0.429 CB 0.986 8 residues pruned to eliminate duplicates Z: 10 8.802 1.706 0.333 0.504 0.889 0.556 CB 1.446 10 residues pruned to eliminate duplicates Z: 21 7.682 1.720 0.527 0.278 0.800 0.300 CB 1.052 15 residues pruned to eliminate duplicates Z: 21 7.729 1.659 0.327 0.366 0.700 0.500 N 1.296 Z: 12 17.894 1.665 0.892 0.767 0.909 0.636 C 1.486 Z: 12 9.608 1.792 0.177 0.895 1.000 0.909 CB 0.985 12 residues pruned to eliminate duplicates Z: 9 7.087 1.513 0.848 0.642 0.875 0.500 N 0.896 9 residues pruned to eliminate duplicates Z: 7 6.369 1.569 0.565 0.794 0.833 0.500 CA 0.982 Z: 15 7.857 1.789 0.463 0.399 0.786 0.571 CB 1.136 Z: 7 9.048 1.953 0.026 0.800 1.000 0.833 CB 1.419 7 residues pruned to eliminate duplicates Z: 17 10.564 1.817 0.405 0.390 0.875 0.562 CB 1.328 6 residues pruned to eliminate duplicates Z: 6 2.276 1.741 -0.024 0.553 0.800 0.800 CB 0.712 Z: 16 18.978 1.753 0.845 0.746 0.933 0.733 CB 1.302 12 residues pruned to eliminate duplicates Z: 8 12.099 1.840 0.323 0.844 1.000 0.857 CB 1.398 8 residues pruned to eliminate duplicates Z: 17 16.284 1.760 0.924 0.514 0.938 0.625 CB 1.264 Z: 17 11.953 1.894 0.428 0.786 0.938 0.500 CB 0.917 17 residues pruned to eliminate duplicates Z: 16 13.525 1.760 0.414 0.774 0.933 0.600 CB 1.180 14 residues pruned to eliminate duplicates Z: 8 12.783 1.860 0.550 0.845 1.000 0.714 CB 1.245 8 residues pruned to eliminate duplicates Z: 13 10.129 2.009 0.423 0.423 0.833 0.583 CA 1.331 8 residues pruned to eliminate duplicates Z: 9 2.388 1.445 0.220 0.252 0.625 0.500 CB 1.019 Z: 15 4.937 1.682 0.305 0.285 0.643 0.500 CB 1.191 Z: 11 6.764 1.685 0.348 0.540 0.900 0.700 CB 1.006 Z: 16 6.014 1.811 0.337 0.345 0.733 0.467 CB 1.035 17 residues pruned to eliminate duplicates Z: 6 5.864 1.726 0.354 0.657 1.000 0.800 CB 0.970 Z: 22 20.484 1.917 0.375 0.685 1.000 0.905 CB 1.431 31 residues pruned to eliminate duplicates Z: 11 14.336 1.640 0.796 0.773 0.900 0.700 CB 1.344 11 residues pruned to eliminate duplicates Z: 14 10.155 1.756 0.335 0.811 0.923 0.769 CB 0.993 14 residues pruned to eliminate duplicates Z: 13 19.923 1.811 0.766 0.875 1.000 0.833 CB 1.308 15 residues pruned to eliminate duplicates Z: 8 16.124 1.963 0.454 0.830 1.000 0.714 CA 1.606 8 residues pruned to eliminate duplicates Z: 7 10.208 1.753 0.711 0.693 0.833 0.833 CA 1.398 Z: 9 6.144 1.658 0.747 0.786 0.875 0.750 CB 0.667 Z: 9 8.784 1.791 0.818 0.358 0.750 0.375 N 1.482 9 residues pruned to eliminate duplicates Z: 13 18.813 1.743 0.907 0.864 1.000 1.000 CB 1.198 13 residues pruned to eliminate duplicates Z: 15 13.917 1.852 0.405 0.776 1.000 0.857 CB 1.120 15 residues pruned to eliminate duplicates Z: 11 9.849 1.628 0.646 0.703 1.000 0.900 CB 0.966 Z: 11 9.279 1.776 0.574 0.441 0.900 0.500 CB 1.240 11 residues pruned to eliminate duplicates Z: 13 10.330 1.727 0.537 0.521 0.917 0.333 CB 1.200 13 residues pruned to eliminate duplicates Z: 11 10.200 1.638 0.656 0.623 1.000 0.500 CB 1.058 11 residues pruned to eliminate duplicates Z: 10 13.046 1.971 0.621 0.893 1.000 1.000 CB 0.977 9 residues pruned to eliminate duplicates Z: 16 11.326 1.735 0.446 0.458 0.933 0.533 CB 1.304 16 residues pruned to eliminate duplicates Z: 10 9.653 1.593 0.557 0.723 0.889 0.556 CB 1.193 9 residues pruned to eliminate duplicates Z: 8 10.059 1.947 0.719 0.614 1.000 0.714 CB 1.020 Z: 10 13.869 1.740 0.704 0.789 0.889 0.667 N 1.361 11 residues pruned to eliminate duplicates Z: 8 5.426 1.580 0.563 0.801 1.000 0.857 CB 0.638 Z: 7 6.947 1.638 0.186 0.804 1.000 1.000 CB 1.120 7 residues pruned to eliminate duplicates Z: 16 11.895 1.794 0.540 0.497 1.000 0.733 CB 1.115 Z: 12 5.316 1.602 0.571 0.265 0.727 0.364 CB 1.145 Z: 14 19.446 1.850 0.781 0.860 0.923 0.692 CB 1.304 15 residues pruned to eliminate duplicates Z: 13 13.058 1.847 0.654 0.874 1.000 0.750 CB 0.897 13 residues pruned to eliminate duplicates 6 1.457 1.517 0.659 0.849 1.000 0.800 CB 0.192 ? Z: 6 10.503 1.694 0.761 0.758 1.000 0.800 CA 1.252 6 residues pruned to eliminate duplicates Z: 7 10.698 1.857 0.900 0.705 0.833 0.833 N 1.233 Z: 7 8.642 1.616 0.682 0.782 1.000 0.500 CB 1.012 Z: 8 5.576 1.651 0.831 0.481 0.857 0.571 CB 0.829 8 residues pruned to eliminate duplicates Z: 8 9.787 1.380 1.095 0.748 1.000 0.714 N 1.026 Z: 8 10.626 1.708 0.470 0.849 1.000 1.000 CB 1.186 9 residues pruned to eliminate duplicates Z: 14 12.614 1.909 0.149 0.898 1.000 0.923 CB 1.141 14 residues pruned to eliminate duplicates Z: 7 14.565 1.972 0.758 0.833 1.000 1.000 CB 1.286 Z: 6 3.392 1.783 -0.385 0.721 1.000 0.800 CB 1.133 Z: 13 13.161 1.701 0.414 0.892 1.000 0.833 CB 1.135 13 residues pruned to eliminate duplicates Z: 11 10.877 1.818 0.463 0.892 0.900 0.800 CB 1.032 10 residues pruned to eliminate duplicates Z: 11 6.233 1.749 0.356 0.571 0.700 0.300 CB 1.108 Z: 14 13.885 1.803 0.367 0.819 1.000 0.923 CB 1.184 14 residues pruned to eliminate duplicates Z: 14 19.139 1.765 0.820 0.907 1.000 0.538 CB 1.175 14 residues pruned to eliminate duplicates Z: 20 15.866 1.930 0.306 0.663 0.947 0.737 CB 1.310 22 residues pruned to eliminate duplicates Z: 13 17.474 1.804 0.621 0.918 1.000 1.000 CB 1.217 13 residues pruned to eliminate duplicates Z: 9 3.013 1.434 0.627 0.149 0.625 0.500 CB 1.126 Z: 13 12.692 1.640 0.581 0.818 0.917 0.750 CB 1.170 13 residues pruned to eliminate duplicates Z: 16 10.459 1.863 0.401 0.405 0.867 0.533 CB 1.320 11 residues pruned to eliminate duplicates Z: 9 3.864 1.603 0.459 0.284 0.750 0.375 CB 0.994 Z: 9 8.792 1.526 0.600 0.798 0.875 0.875 CB 1.121 7 residues pruned to eliminate duplicates Z: 17 15.915 1.815 0.551 0.898 0.875 0.750 CB 1.156 17 residues pruned to eliminate duplicates Z: 13 13.273 1.841 0.321 0.908 1.000 1.000 CB 1.119 12 residues pruned to eliminate duplicates Z: 11 9.347 1.630 0.703 0.886 0.900 0.700 CB 0.854 Z: 10 17.612 1.904 0.834 0.882 1.000 0.889 CA 1.217 11 residues pruned to eliminate duplicates Z: 15 19.909 2.019 0.673 0.822 0.929 0.714 CB 1.283 15 residues pruned to eliminate duplicates Z: 6 3.020 1.397 0.631 0.606 1.000 0.600 CB 0.536 Z: 14 14.898 1.734 0.622 0.867 1.000 0.846 CB 1.074 14 residues pruned to eliminate duplicates Z: 11 14.116 1.801 0.392 0.892 1.000 1.000 CB 1.279 11 residues pruned to eliminate duplicates Z: 12 16.681 1.773 0.660 0.885 1.000 0.909 CB 1.234 12 residues pruned to eliminate duplicates Z: 6 6.952 1.574 0.612 0.847 1.000 0.800 CB 0.910 6 residues pruned to eliminate duplicates Z: 9 6.528 1.618 0.458 0.541 0.875 0.625 CB 1.074 Z: 7 8.133 2.028 0.052 0.653 1.000 1.000 CA 1.351 7 residues pruned to eliminate duplicates Z: 8 12.482 1.788 0.183 0.864 1.000 1.000 CB 1.635 8 residues pruned to eliminate duplicates Z: 6 10.251 1.781 1.019 0.867 1.000 1.000 CB 0.933 6 residues pruned to eliminate duplicates Z: 14 10.470 1.686 0.468 0.522 1.000 0.692 CB 1.148 14 residues pruned to eliminate duplicates Z: 13 9.192 1.708 0.486 0.843 0.917 0.750 CB 0.849 13 residues pruned to eliminate duplicates Z: 7 5.629 1.690 0.229 0.691 1.000 0.833 CB 0.929 Z: 11 5.250 1.838 0.599 0.301 0.700 0.500 CB 1.008 11 residues pruned to eliminate duplicates Z: 11 13.221 1.681 0.517 0.802 0.900 0.800 CB 1.399 11 residues pruned to eliminate duplicates Z: 7 9.624 1.960 0.474 0.561 1.000 0.667 CA 1.282 7 residues pruned to eliminate duplicates Z: 7 3.012 1.682 0.716 0.342 0.667 0.333 CB 0.759 Z: 8 6.933 1.644 0.509 0.884 1.000 0.857 CB 0.763 8 residues pruned to eliminate duplicates Z: 14 11.867 1.613 0.357 0.774 1.000 0.769 CB 1.180 14 residues pruned to eliminate duplicates Z: 11 11.970 1.811 0.501 0.827 1.000 0.700 CB 1.050 12 residues pruned to eliminate duplicates Z: 15 12.139 1.841 0.557 0.436 0.857 0.643 CB 1.410 15 residues pruned to eliminate duplicates Z: 9 8.860 1.533 0.630 0.854 1.000 0.625 CB 0.925 7 residues pruned to eliminate duplicates Z: 21 13.687 1.882 0.457 0.614 0.850 0.600 CB 1.179 21 residues pruned to eliminate duplicates Z: 7 5.777 1.771 0.662 0.687 1.000 0.833 CB 0.675 Z: 10 7.678 1.868 0.270 0.531 0.889 0.556 CB 1.178 7 residues pruned to eliminate duplicates Z: 10 6.027 1.779 -0.040 0.804 1.000 0.667 CB 0.902 10 residues pruned to eliminate duplicates Z: 7 7.969 1.945 0.367 0.558 0.833 0.833 CB 1.388 7 residues pruned to eliminate duplicates Z: 11 5.209 1.630 0.469 0.522 0.800 0.800 CB 0.841 Z: 7 7.468 1.518 0.880 0.552 0.833 0.833 O 1.219 Z: 10 11.528 1.709 0.520 0.712 0.889 0.667 N 1.372 10 residues pruned to eliminate duplicates Z: 10 5.046 1.612 0.575 0.437 0.778 0.444 N 0.910 7 residues pruned to eliminate duplicates Z: 10 8.617 1.388 0.410 0.770 1.000 0.778 N 1.155 Z: 15 19.148 1.744 0.604 0.922 1.000 0.786 CB 1.287 15 residues pruned to eliminate duplicates Z: 8 18.223 2.005 0.738 0.864 1.000 1.000 CB 1.449 8 residues pruned to eliminate duplicates Z: 7 8.602 1.813 0.683 0.397 1.000 0.333 CB 1.283 Z: 21 7.680 1.811 0.302 0.358 0.800 0.500 CB 1.061 7 residues pruned to eliminate duplicates Z: 8 6.774 1.723 0.680 0.594 0.857 0.714 CB 0.944 8 residues pruned to eliminate duplicates Z: 13 15.874 1.909 0.496 0.771 0.917 0.667 CB 1.377 13 residues pruned to eliminate duplicates Z: 11 5.515 1.548 0.515 0.660 0.800 0.600 CB 0.801 Z: 33 15.667 1.827 0.586 0.421 0.781 0.562 CB 1.328 47 residues pruned to eliminate duplicates Z: 16 20.899 1.864 0.864 0.889 1.000 0.533 CB 1.118 15 residues pruned to eliminate duplicates Z: 14 17.159 1.801 0.716 0.894 1.000 0.846 CB 1.105 24 residues pruned to eliminate duplicates Z: 21 11.246 1.750 0.498 0.456 0.900 0.500 CB 1.115 20 residues pruned to eliminate duplicates Z: 8 10.707 1.943 0.485 0.599 0.857 0.571 CB 1.489 8 residues pruned to eliminate duplicates Z: 14 15.067 1.809 0.429 0.865 0.923 0.846 CB 1.283 14 residues pruned to eliminate duplicates Z: 15 15.140 1.657 0.604 0.858 1.000 0.643 CB 1.121 15 residues pruned to eliminate duplicates Z: 26 12.362 1.704 0.440 0.494 0.920 0.480 CB 1.102 25 residues pruned to eliminate duplicates Z: 13 13.164 1.664 0.716 0.840 1.000 0.750 CB 0.993 13 residues pruned to eliminate duplicates Z: 6 3.036 1.540 0.688 0.731 1.000 0.600 CB 0.424 Z: 15 13.462 1.824 0.348 0.875 1.000 0.643 CB 1.064 15 residues pruned to eliminate duplicates Z: 14 14.372 1.943 0.333 0.613 0.923 0.615 CB 1.498 14 residues pruned to eliminate duplicates Z: 10 9.680 1.780 0.891 0.763 0.778 0.667 CB 0.976 10 residues pruned to eliminate duplicates Z: 16 5.463 1.776 0.105 0.357 0.867 0.467 CB 0.969 16 residues pruned to eliminate duplicates Z: 19 16.423 1.945 0.435 0.417 0.944 0.444 CB 1.601 19 residues pruned to eliminate duplicates Z: 6 4.967 1.627 0.182 0.732 1.000 0.800 CB 0.938 Z: 11 9.899 1.909 0.418 0.366 0.900 0.400 CB 1.484 11 residues pruned to eliminate duplicates Z: 9 5.081 1.764 -0.064 0.574 1.000 0.750 CB 1.013 10 residues pruned to eliminate duplicates Z: 11 4.696 1.749 0.194 0.344 0.800 0.300 CB 1.053 Z: 14 14.568 1.828 0.380 0.764 0.846 0.769 CB 1.497 14 residues pruned to eliminate duplicates Z: 8 10.914 1.658 0.730 0.799 1.000 0.714 CB 1.107 8 residues pruned to eliminate duplicates Z: 14 13.923 1.803 0.584 0.793 0.846 0.769 CB 1.236 14 residues pruned to eliminate duplicates Z: 16 14.757 1.609 0.564 0.851 1.000 0.800 CB 1.121 16 residues pruned to eliminate duplicates Z: 19 7.154 1.782 0.462 0.414 0.722 0.500 CB 0.980 9 residues pruned to eliminate duplicates Z: 8 4.745 1.673 0.039 0.560 1.000 0.429 CB 0.973 Z: 10 4.113 1.710 0.286 0.327 0.889 0.444 CB 0.848 Z: 6 2.745 1.507 0.258 0.412 0.600 0.400 N 1.183 Z: 7 6.692 1.774 0.449 0.627 0.833 0.500 CA 1.132 5 residues pruned to eliminate duplicates Z: 7 4.865 1.725 0.678 0.382 0.667 0.500 CB 1.168 Z: 7 5.339 1.763 0.281 0.436 0.833 0.667 CB 1.237 Z: 13 9.138 1.463 0.689 0.881 0.917 0.750 CB 0.843 Z: 7 9.451 1.526 0.989 0.653 0.833 0.333 N 1.322 8 residues pruned to eliminate duplicates Z: 13 14.607 1.722 0.499 0.855 1.000 0.917 CB 1.206 13 residues pruned to eliminate duplicates Z: 10 5.915 1.682 0.634 0.571 0.778 0.667 CB 0.861 Z: 8 11.094 1.700 0.649 0.710 1.000 0.857 CB 1.237 7 residues pruned to eliminate duplicates Z: 28 17.926 1.866 0.401 0.509 0.926 0.704 CB 1.412 28 residues pruned to eliminate duplicates Z: 9 2.053 1.414 -0.010 0.354 0.875 0.250 CB 0.694 6 residues pruned to eliminate duplicates Z: 15 17.261 1.895 0.397 0.831 0.929 0.857 CB 1.411 15 residues pruned to eliminate duplicates Z: 13 12.915 1.731 0.535 0.832 0.917 0.500 CB 1.150 13 residues pruned to eliminate duplicates Z: 7 5.331 1.257 0.779 0.849 1.000 0.667 O 0.722 7 residues pruned to eliminate duplicates Z: 18 7.926 1.749 0.437 0.324 0.765 0.412 CB 1.214 28 residues pruned to eliminate duplicates Z: 16 11.742 1.844 0.751 0.433 0.867 0.667 CB 1.162 10 1.873 1.673 0.212 0.173 0.556 0.222 CB 0.823 ? Z: 6 4.416 1.436 0.327 0.429 1.000 0.800 CB 1.116 6 residues pruned to eliminate duplicates Z: 15 6.255 1.670 0.553 0.425 0.786 0.500 CB 0.887 Z: 11 10.062 1.797 0.632 0.503 0.900 0.600 CB 1.203 9 residues pruned to eliminate duplicates Z: 8 9.377 1.953 0.286 0.594 1.000 0.857 CA 1.290 Z: 11 5.702 1.595 0.241 0.420 0.900 0.400 CB 1.100 Z: 9 11.358 1.883 0.432 0.843 1.000 0.750 CB 1.109 9 residues pruned to eliminate duplicates Z: 16 5.336 1.816 0.314 0.234 0.733 0.333 CB 1.073 16 residues pruned to eliminate duplicates Z: 13 15.010 1.829 0.372 0.881 1.000 0.750 CB 1.250 13 residues pruned to eliminate duplicates Z: 11 12.386 1.820 0.543 0.881 1.000 0.700 CB 1.010 11 residues pruned to eliminate duplicates Z: 15 13.031 1.822 0.647 0.566 0.857 0.643 CB 1.270 17 residues pruned to eliminate duplicates Z: 11 10.851 1.960 0.502 0.452 1.000 0.600 CB 1.224 11 residues pruned to eliminate duplicates Z: 8 10.877 1.764 0.568 0.703 1.000 0.714 CA 1.235 Z: 45 19.538 1.807 0.659 0.417 0.818 0.477 CB 1.309 44 residues pruned to eliminate duplicates Z: 15 5.266 1.632 0.252 0.362 0.714 0.500 CB 1.120 15 residues pruned to eliminate duplicates Z: 6 2.327 1.437 0.458 0.295 0.600 0.400 N 1.040 Z: 10 10.738 1.718 0.363 0.737 0.889 0.556 N 1.390 10 residues pruned to eliminate duplicates 6 1.884 1.501 0.180 0.445 0.800 0.400 CB 0.629 ? Z: 13 16.216 1.824 0.402 0.914 1.000 0.833 CB 1.295 13 residues pruned to eliminate duplicates Z: 17 15.397 1.881 0.876 0.419 0.875 0.562 CB 1.356 20 residues pruned to eliminate duplicates Z: 6 3.297 1.321 0.698 0.686 0.800 0.400 CB 0.693 Z: 12 12.794 1.702 0.844 0.839 1.000 0.636 CB 0.918 12 residues pruned to eliminate duplicates Z: 6 2.575 1.541 0.091 0.296 0.800 0.600 CB 1.075 Z: 13 7.794 1.746 0.366 0.401 0.750 0.500 CA 1.396 20 residues pruned to eliminate duplicates Z: 8 3.355 1.368 0.196 0.609 0.857 0.286 CB 0.815 8 residues pruned to eliminate duplicates Z: 6 5.469 1.715 0.236 0.647 1.000 0.200 N 1.006 Z: 15 17.370 1.849 0.500 0.893 1.000 0.929 CB 1.201 15 residues pruned to eliminate duplicates Z: 17 11.449 1.778 0.649 0.541 0.750 0.500 CB 1.250 17 residues pruned to eliminate duplicates Z: 15 15.765 1.716 0.725 0.824 0.929 0.643 CB 1.158 15 residues pruned to eliminate duplicates Z: 20 10.005 1.742 0.516 0.431 0.842 0.526 CB 1.109 20 residues pruned to eliminate duplicates Z: 8 7.658 1.684 0.292 0.828 1.000 0.857 CB 1.001 8 residues pruned to eliminate duplicates Z: 35 17.940 1.825 0.483 0.533 0.853 0.559 CB 1.290 35 residues pruned to eliminate duplicates Z: 6 4.585 1.819 -0.018 0.889 1.000 1.000 CB 0.826 Z: 12 15.214 1.635 0.786 0.799 1.000 0.909 CB 1.209 12 residues pruned to eliminate duplicates Z: 15 6.534 1.685 0.439 0.346 0.786 0.286 CB 1.084 6 residues pruned to eliminate duplicates Z: 10 10.489 1.698 0.529 0.825 1.000 0.667 CB 1.017 10 residues pruned to eliminate duplicates Z: 11 4.601 1.665 0.133 0.400 0.700 0.500 CB 1.225 Z: 9 3.644 1.563 0.281 0.427 0.750 0.625 CB 0.925 Z: 13 5.075 1.531 0.249 0.496 0.833 0.500 CB 0.923 8 residues pruned to eliminate duplicates Z: 6 13.825 1.816 0.754 0.841 1.000 0.800 CB 1.448 15 residues pruned to eliminate duplicates Z: 8 5.621 1.702 0.853 0.490 0.714 0.571 CB 0.953 Z: 15 7.734 1.674 0.545 0.358 1.000 0.643 CB 0.932 15 residues pruned to eliminate duplicates Z: 9 9.100 1.692 0.856 0.789 0.750 0.625 N 1.060 9 residues pruned to eliminate duplicates Z: 13 12.382 1.797 0.442 0.822 0.917 0.750 CB 1.139 11 residues pruned to eliminate duplicates Z: 15 16.448 1.753 0.667 0.802 0.929 0.786 CB 1.245 13 residues pruned to eliminate duplicates Z: 6 2.979 1.630 0.409 0.413 0.600 0.400 CB 1.059 5 residues pruned to eliminate duplicates Z: 16 18.421 1.997 0.513 0.822 1.000 0.600 CB 1.191 16 residues pruned to eliminate duplicates Z: 6 4.070 1.920 0.316 0.635 1.000 0.600 CB 0.635 Z: 13 12.276 1.659 0.582 0.820 1.000 0.917 CB 1.023 12 residues pruned to eliminate duplicates Z: 11 13.454 1.767 0.526 0.898 1.000 1.000 CB 1.128 11 residues pruned to eliminate duplicates 8 1.349 1.510 -0.025 0.202 0.714 0.143 CB 0.691 ? Z: 17 18.795 1.873 0.764 0.819 1.000 0.875 CB 1.078 17 residues pruned to eliminate duplicates Z: 6 4.393 1.509 0.796 0.480 0.800 0.600 CB 0.925 7 residues pruned to eliminate duplicates Z: 6 3.964 1.729 0.004 0.642 0.800 0.800 N 1.117 Z: 6 14.233 1.899 0.585 0.853 1.000 1.000 CA 1.562 6 residues pruned to eliminate duplicates Z: 9 11.061 1.633 0.566 0.875 1.000 1.000 CB 1.112 9 residues pruned to eliminate duplicates Z: 11 12.780 1.727 0.695 0.877 1.000 0.900 CB 1.003 11 residues pruned to eliminate duplicates Z: 23 7.357 1.707 0.451 0.401 0.773 0.364 CB 0.910 18 residues pruned to eliminate duplicates Z: 8 6.939 1.428 0.589 0.752 0.857 0.571 N 1.077 8 residues pruned to eliminate duplicates Z: 6 8.601 1.987 0.166 0.803 1.000 1.000 N 1.274 6 residues pruned to eliminate duplicates Z: 7 8.039 1.819 0.352 0.592 0.833 0.500 CB 1.467 7 residues pruned to eliminate duplicates Z: 14 8.238 1.840 0.362 0.365 0.923 0.538 CB 1.142 7 residues pruned to eliminate duplicates Z: 6 6.109 1.769 0.339 0.592 0.800 0.800 CB 1.320 Z: 13 13.323 1.591 0.672 0.838 1.000 0.917 CB 1.081 12 residues pruned to eliminate duplicates Z: 9 6.420 1.873 0.185 0.613 1.000 0.750 CB 0.919 9 residues pruned to eliminate duplicates Z: 12 6.590 1.745 0.551 0.301 0.818 0.636 CB 1.121 Z: 7 10.950 1.930 0.272 0.839 1.000 0.833 CB 1.360 7 residues pruned to eliminate duplicates Z: 7 6.445 1.648 0.828 0.634 0.667 0.500 CB 1.156 7 residues pruned to eliminate duplicates Z: 6 2.171 1.500 0.367 0.359 0.600 0.600 CB 0.919 Z: 9 4.506 1.645 0.093 0.397 0.875 0.625 O 1.129 5 residues pruned to eliminate duplicates Z: 15 12.974 1.794 0.370 0.592 0.929 0.786 N 1.392 18 residues pruned to eliminate duplicates Z: 15 13.981 1.801 0.334 0.881 1.000 0.786 CB 1.127 15 residues pruned to eliminate duplicates Z: 6 2.009 1.501 0.005 0.302 0.600 0.400 CB 1.237 Z: 7 3.315 1.782 0.345 0.786 1.000 0.500 CB 0.439 7 residues pruned to eliminate duplicates Z: 11 14.922 1.791 0.666 0.822 0.900 0.800 CB 1.329 11 residues pruned to eliminate duplicates Z: 20 9.426 1.763 0.602 0.272 0.737 0.474 N 1.346 20 residues pruned to eliminate duplicates Z: 23 20.837 1.913 0.783 0.570 0.864 0.455 CB 1.409 23 residues pruned to eliminate duplicates Z: 12 14.754 1.769 0.822 0.868 1.000 0.909 CB 1.009 12 residues pruned to eliminate duplicates Z: 7 8.156 1.751 0.432 0.704 1.000 0.500 CB 1.103 Z: 11 8.065 1.477 0.580 0.826 0.900 0.800 CB 0.916 10 residues pruned to eliminate duplicates Z: 9 8.521 1.613 0.365 0.817 1.000 0.625 CB 1.039 9 residues pruned to eliminate duplicates Z: 15 12.989 1.714 0.290 0.784 1.000 1.000 CB 1.223 15 residues pruned to eliminate duplicates Z: 7 3.060 1.630 0.668 0.768 0.667 0.500 CB 0.543 7 residues pruned to eliminate duplicates Z: 12 11.069 1.760 0.371 0.761 0.909 0.636 CB 1.207 12 residues pruned to eliminate duplicates Z: 10 7.661 1.715 0.569 0.510 0.778 0.444 CB 1.209 10 residues pruned to eliminate duplicates Z: 7 2.944 1.406 0.313 0.542 0.667 0.500 C 0.938 Z: 11 9.357 1.624 0.212 0.858 1.000 0.600 CB 1.107 11 residues pruned to eliminate duplicates Z: 6 8.218 1.690 1.006 0.505 1.000 0.600 CB 1.079 6 residues pruned to eliminate duplicates Z: 13 7.770 1.799 0.150 0.582 0.833 0.750 CB 1.203 13 residues pruned to eliminate duplicates Z: 7 3.498 1.511 0.346 0.430 0.667 0.500 N 1.133 Z: 14 14.979 1.775 0.330 0.887 1.000 0.923 CB 1.268 14 residues pruned to eliminate duplicates Z: 8 11.502 1.699 0.895 0.849 0.857 0.714 CB 1.168 9 residues pruned to eliminate duplicates Z: 15 19.679 1.722 0.852 0.861 1.000 0.500 CB 1.212 15 residues pruned to eliminate duplicates Z: 6 4.067 1.686 0.121 0.659 0.800 0.400 CB 1.038 6 residues pruned to eliminate duplicates Z: 7 4.933 1.460 0.687 0.328 0.833 0.500 N 1.185 Z: 12 11.465 1.575 0.433 0.887 1.000 0.909 CB 1.104 Z: 22 15.719 1.940 0.576 0.419 0.905 0.667 CB 1.349 22 residues pruned to eliminate duplicates Z: 19 8.279 1.747 0.266 0.532 0.833 0.667 CB 1.026 27 residues pruned to eliminate duplicates Z: 15 22.691 1.779 0.786 0.904 1.000 0.929 CA 1.359 15 residues pruned to eliminate duplicates Z: 26 19.378 1.922 0.520 0.523 0.960 0.560 CB 1.351 29 residues pruned to eliminate duplicates Z: 10 5.288 1.712 0.576 0.340 0.667 0.444 N 1.167 10 residues pruned to eliminate duplicates Z: 22 11.044 1.606 0.500 0.486 0.905 0.524 CB 1.121 17 residues pruned to eliminate duplicates Z: 7 7.064 1.824 0.434 0.643 1.000 0.500 CB 0.965 7 residues pruned to eliminate duplicates Z: 23 10.162 1.811 0.443 0.491 0.864 0.500 CB 0.969 17 residues pruned to eliminate duplicates Z: 6 5.714 1.849 0.222 0.807 1.000 0.800 CB 0.865 6 residues pruned to eliminate duplicates Z: 10 7.771 1.700 0.520 0.811 0.556 0.444 CA 1.376 Z: 14 7.412 1.597 0.424 0.479 0.846 0.692 CB 1.092 11 residues pruned to eliminate duplicates Z: 17 13.556 1.931 0.443 0.468 0.938 0.500 CB 1.340 17 residues pruned to eliminate duplicates Z: 7 5.800 1.658 0.430 0.665 1.000 0.833 CB 0.857 Z: 6 3.661 1.539 0.246 0.433 1.000 0.600 CB 0.915 Z: 8 5.530 1.650 0.158 0.631 1.000 0.714 CB 0.967 Z: 18 8.075 1.706 0.250 0.413 0.941 0.353 CB 1.069 18 residues pruned to eliminate duplicates Z: 6 4.818 1.617 0.873 0.463 0.600 0.600 CA 1.231 9 residues pruned to eliminate duplicates Z: 6 2.246 1.330 0.539 0.439 0.800 0.400 N 0.654 Z: 6 10.308 1.939 0.592 0.625 1.000 0.800 CA 1.327 8 residues pruned to eliminate duplicates Z: 9 2.753 1.349 0.066 0.459 0.875 0.375 CB 0.807 Z: 8 5.001 1.668 0.335 0.521 0.714 0.571 CB 1.164 Z: 24 9.246 1.800 0.203 0.481 0.870 0.391 CB 1.044 24 residues pruned to eliminate duplicates 6 1.976 1.610 -0.020 0.378 1.000 0.600 CB 0.638 ? Z: 16 14.860 1.785 0.372 0.884 0.933 0.667 CB 1.213 16 residues pruned to eliminate duplicates Z: 24 11.599 1.806 0.502 0.500 0.783 0.609 CB 1.139 34 residues pruned to eliminate duplicates Z: 9 6.212 1.765 0.431 0.351 0.875 0.625 CB 1.168 16 residues pruned to eliminate duplicates 6 1.411 1.476 -0.273 0.239 0.800 0.600 CB 0.995 ? Z: 14 9.410 1.665 0.623 0.476 0.846 0.615 CB 1.169 Z: 22 10.761 1.739 0.737 0.335 0.857 0.619 CB 1.087 13 residues pruned to eliminate duplicates Z: 10 15.313 1.799 0.804 0.895 1.000 0.889 CB 1.127 14 residues pruned to eliminate duplicates Z: 15 8.966 1.679 0.700 0.556 0.786 0.500 CB 1.011 13 residues pruned to eliminate duplicates Z: 9 8.259 1.760 0.649 0.564 0.875 0.750 N 1.081 9 residues pruned to eliminate duplicates Z: 9 5.115 1.456 0.589 0.483 0.750 0.250 N 1.061 Z: 8 3.410 1.401 0.614 0.327 0.714 0.571 O 0.966 Z: 8 6.539 1.565 0.561 0.649 0.714 0.571 CB 1.232 8 residues pruned to eliminate duplicates Z: 15 14.435 1.846 0.734 0.813 0.929 0.643 CB 0.988 17 residues pruned to eliminate duplicates Z: 14 5.853 1.507 0.416 0.347 0.769 0.615 CB 1.167 8 residues pruned to eliminate duplicates Z: 7 4.239 1.370 0.560 0.612 0.667 0.500 CB 1.093 Z: 33 15.255 1.736 0.522 0.486 0.812 0.562 CB 1.274 28 residues pruned to eliminate duplicates Z: 6 4.072 1.417 -0.008 0.709 1.000 0.800 CA 1.072 6 1.861 1.654 0.041 0.535 0.800 0.600 CB 0.583 ? Z: 12 4.990 1.425 0.396 0.819 0.818 0.636 CB 0.701 12 residues pruned to eliminate duplicates Z: 10 6.205 1.661 0.581 0.387 0.889 0.444 CB 0.999 Z: 7 5.707 1.625 0.706 0.632 0.833 0.667 CB 0.891 7 residues pruned to eliminate duplicates Z: 9 14.104 1.678 0.556 0.767 1.000 0.625 N 1.507 9 residues pruned to eliminate duplicates Z: 10 3.087 1.308 0.226 0.334 0.889 0.556 CB 0.865 Z: 11 10.871 1.670 0.816 0.882 1.000 0.700 CB 0.820 10 residues pruned to eliminate duplicates Z: 13 9.344 1.690 0.318 0.568 0.917 0.500 CB 1.237 11 residues pruned to eliminate duplicates Z: 6 5.618 1.879 -0.259 0.806 1.000 1.000 O 1.382 5 residues pruned to eliminate duplicates Z: 6 3.180 1.558 0.199 0.703 1.000 0.800 CB 0.633 6 residues pruned to eliminate duplicates Z: 8 8.049 1.696 0.577 0.522 0.857 0.429 CB 1.299 8 residues pruned to eliminate duplicates Z: 6 2.397 1.496 0.223 0.291 0.800 0.400 CB 0.926 Z: 8 5.895 1.522 0.864 0.569 0.857 0.857 N 0.857 10 residues pruned to eliminate duplicates Z: 13 12.219 1.593 0.356 0.922 1.000 0.917 CB 1.149 11 residues pruned to eliminate duplicates Z: 8 11.069 1.704 0.334 0.881 1.000 0.857 CB 1.333 8 residues pruned to eliminate duplicates Z: 6 3.012 1.632 0.418 0.217 0.800 0.400 N 1.015 Z: 6 10.873 1.689 0.702 0.849 1.000 0.800 CB 1.253 6 residues pruned to eliminate duplicates Z: 16 6.732 1.591 0.532 0.451 0.800 0.600 CB 0.938 17 residues pruned to eliminate duplicates Z: 9 5.975 1.551 0.730 0.333 0.750 0.375 O 1.260 7 1.823 1.270 -0.239 0.560 0.833 0.667 N 0.872 ? 6 1.860 1.270 0.444 0.294 0.800 0.600 CB 0.714 ? Z: 11 12.684 1.664 0.469 0.845 1.000 0.900 CA 1.221 11 residues pruned to eliminate duplicates Z: 12 9.753 1.875 0.268 0.504 1.000 0.636 CB 1.232 8 residues pruned to eliminate duplicates Z: 13 13.957 1.832 0.265 0.886 0.917 0.917 CB 1.368 13 residues pruned to eliminate duplicates Z: 7 7.104 1.500 0.666 0.683 1.000 0.500 CA 0.981 7 residues pruned to eliminate duplicates Z: 13 10.119 1.552 0.759 0.705 0.917 0.667 CB 0.969 13 residues pruned to eliminate duplicates Z: 6 2.805 1.335 0.580 0.425 1.000 0.600 CB 0.643 Z: 7 6.015 1.603 0.442 0.533 0.833 0.500 CB 1.233 9 residues pruned to eliminate duplicates Z: 10 7.122 1.681 0.917 0.653 0.778 0.556 CB 0.822 10 residues pruned to eliminate duplicates Z: 7 6.951 1.573 0.477 0.560 1.000 0.833 CB 1.153 Z: 13 12.807 1.496 0.749 0.866 0.917 0.667 CB 1.129 14 residues pruned to eliminate duplicates Z: 22 12.769 1.807 0.626 0.633 0.810 0.571 CB 1.034 23 residues pruned to eliminate duplicates Z: 6 7.313 1.504 0.642 0.819 1.000 1.000 CB 1.004 Z: 7 4.989 1.435 0.600 0.453 0.833 0.833 CB 1.117 Z: 8 2.479 1.407 0.152 0.228 0.857 0.429 N 0.926 6 1.801 1.645 0.331 0.811 1.000 1.000 CB 0.281 ? Z: 8 9.689 1.758 0.557 0.448 1.000 0.571 N 1.411 8 residues pruned to eliminate duplicates Z: 15 7.006 1.578 0.411 0.393 0.786 0.500 CB 1.199 Z: 11 5.280 1.684 0.531 0.467 0.700 0.400 CB 0.957 11 residues pruned to eliminate duplicates Z: 27 15.175 1.837 0.530 0.539 0.846 0.462 CB 1.205 27 residues pruned to eliminate duplicates Z: 20 12.550 1.891 0.187 0.549 0.947 0.632 CB 1.291 20 residues pruned to eliminate duplicates Z: 7 4.788 1.540 0.474 0.491 0.667 0.333 N 1.303 7 residues pruned to eliminate duplicates Z: 15 18.567 1.914 0.489 0.815 1.000 0.929 CB 1.324 15 residues pruned to eliminate duplicates Z: 7 3.459 1.577 0.233 0.425 0.833 0.500 CB 0.943 6 residues pruned to eliminate duplicates Z: 9 7.817 1.665 0.247 0.831 1.000 0.750 CB 1.000 9 residues pruned to eliminate duplicates Z: 9 9.553 1.528 0.538 0.891 1.000 1.000 CB 1.033 9 residues pruned to eliminate duplicates Z: 7 3.842 1.698 0.147 0.438 0.833 0.167 CB 1.031 7 residues pruned to eliminate duplicates Z: 14 16.059 1.568 0.905 0.882 0.923 0.462 CB 1.169 14 residues pruned to eliminate duplicates Z: 14 14.731 1.837 0.591 0.777 1.000 0.692 CB 1.095 12 residues pruned to eliminate duplicates Z: 12 10.695 1.649 0.544 0.879 1.000 0.909 CB 0.918 12 residues pruned to eliminate duplicates Z: 10 9.800 1.627 0.524 0.753 1.000 0.667 CB 1.052 10 residues pruned to eliminate duplicates Z: 6 8.172 1.840 0.003 0.748 1.000 0.800 C 1.586 6 residues pruned to eliminate duplicates Z: 6 2.235 1.476 0.141 0.612 0.800 0.400 CB 0.667 Z: 15 17.289 1.845 0.457 0.901 0.929 0.786 CB 1.321 15 residues pruned to eliminate duplicates Z: 10 4.051 1.705 0.277 0.274 0.778 0.333 CB 1.030 Z: 9 12.628 1.575 0.784 0.853 1.000 0.875 CB 1.175 10 residues pruned to eliminate duplicates Z: 12 13.070 1.754 0.624 0.548 0.909 0.909 CA 1.453 12 residues pruned to eliminate duplicates Z: 13 21.586 1.824 0.715 0.912 1.000 1.000 CB 1.410 13 residues pruned to eliminate duplicates Z: 11 8.110 1.611 0.400 0.635 0.900 0.700 CB 1.113 11 residues pruned to eliminate duplicates Z: 15 15.236 1.811 0.807 0.835 0.929 0.786 CB 1.004 15 residues pruned to eliminate duplicates Z: 6 4.317 1.600 0.793 0.293 0.600 0.400 N 1.414 Z: 7 4.109 1.484 0.683 0.481 0.833 0.500 CB 0.821 Z: 17 7.716 1.680 0.520 0.328 0.875 0.625 CB 1.042 Z: 15 20.643 1.722 0.647 0.887 1.000 0.857 CB 1.403 15 residues pruned to eliminate duplicates Z: 9 6.757 1.526 0.627 0.689 0.750 0.375 N 1.080 9 residues pruned to eliminate duplicates Z: 23 10.435 1.595 0.571 0.497 0.864 0.545 CB 1.031 28 residues pruned to eliminate duplicates Z: 6 2.786 1.733 -0.373 0.465 1.000 0.600 CB 1.188 6 residues pruned to eliminate duplicates Z: 9 3.904 1.342 0.762 0.540 1.000 0.625 CB 0.561 Z: 7 3.572 1.479 0.905 0.281 0.667 0.500 CB 0.994 Z: 8 7.351 1.763 0.460 0.644 0.857 0.571 CB 1.101 8 residues pruned to eliminate duplicates Z: 14 18.829 1.801 0.388 0.893 1.000 0.923 N 1.499 14 residues pruned to eliminate duplicates Z: 7 5.509 1.518 0.559 0.608 1.000 0.833 CB 0.858 Z: 16 11.929 1.775 0.628 0.496 0.933 0.667 CB 1.146 16 residues pruned to eliminate duplicates Z: 10 2.757 1.265 0.391 0.253 0.889 0.556 CB 0.781 Z: 14 20.408 1.748 0.784 0.883 1.000 0.769 CB 1.313 14 residues pruned to eliminate duplicates Z: 6 2.020 1.477 0.280 0.423 0.600 0.400 N 0.863 Z: 7 5.152 1.486 0.308 0.652 1.000 0.667 CB 0.939 6 1.925 1.196 0.046 0.572 1.000 0.600 CB 0.642 ? Z: 11 12.457 1.505 0.944 0.754 1.000 0.800 CB 1.074 10 residues pruned to eliminate duplicates Z: 9 3.524 1.511 0.054 0.328 0.875 0.375 CB 1.079 7 residues pruned to eliminate duplicates Z: 16 6.820 1.563 0.287 0.493 0.933 0.600 CB 0.945 12 residues pruned to eliminate duplicates Z: 15 22.924 1.997 0.862 0.732 1.000 0.786 CB 1.338 16 residues pruned to eliminate duplicates Z: 7 5.381 1.652 0.747 0.320 0.833 0.500 CB 1.114 7 residues pruned to eliminate duplicates Z: 14 15.353 1.801 0.831 0.826 0.923 0.462 CB 1.055 14 residues pruned to eliminate duplicates Z: 13 9.239 1.777 0.179 0.868 0.917 0.833 CB 1.015 13 residues pruned to eliminate duplicates 6 1.285 1.257 0.897 0.481 0.600 0.400 CB 0.410 ? Z: 13 4.947 1.557 0.264 0.251 0.833 0.583 CB 1.159 13 residues pruned to eliminate duplicates Z: 16 17.502 1.752 0.636 0.908 1.000 0.800 CB 1.120 16 residues pruned to eliminate duplicates Z: 10 7.420 1.547 0.432 0.896 0.889 0.889 CB 0.900 10 residues pruned to eliminate duplicates 6 0.562 1.207 -0.019 0.100 0.600 0.400 CB 0.590 ? Z: 9 10.077 1.603 1.104 0.642 0.875 0.625 CB 1.057 24 residues pruned to eliminate duplicates Z: 14 10.882 1.843 0.731 0.383 0.923 0.538 CB 1.161 14 residues pruned to eliminate duplicates Z: 7 7.773 1.634 0.726 0.528 0.833 0.667 N 1.314 4 residues pruned to eliminate duplicates Z: 13 8.625 1.439 0.240 0.836 0.917 0.833 O 1.139 13 residues pruned to eliminate duplicates Z: 7 5.617 1.391 0.684 0.597 0.833 0.500 CB 1.071 Z: 17 19.161 1.755 0.394 0.856 1.000 0.812 CB 1.444 16 residues pruned to eliminate duplicates Z: 8 3.501 1.494 0.720 0.443 0.857 0.571 CB 0.637 Z: 11 15.038 1.693 0.780 0.761 1.000 0.800 CB 1.251 15 residues pruned to eliminate duplicates Z: 12 13.902 1.757 0.453 0.867 1.000 0.818 CB 1.201 12 residues pruned to eliminate duplicates Z: 11 3.773 1.532 0.670 0.320 0.700 0.500 CB 0.813 7 0.572 1.263 0.392 0.307 0.333 0.333 CB 0.494 ? Z: 15 5.889 1.496 0.459 0.407 0.786 0.571 CB 1.012 15 residues pruned to eliminate duplicates Z: 9 4.799 1.451 0.323 0.578 0.875 0.500 CA 0.937 9 residues pruned to eliminate duplicates Z: 9 5.812 1.852 0.648 0.737 0.625 0.500 CB 0.870 9 residues pruned to eliminate duplicates Z: 10 10.085 1.562 0.389 0.886 0.889 0.778 CB 1.258 10 residues pruned to eliminate duplicates Z: 6 2.208 1.423 0.026 0.394 0.800 0.400 N 0.946 Z: 11 7.997 1.564 0.898 0.793 0.900 0.700 CB 0.732 10 residues pruned to eliminate duplicates Z: 13 6.244 1.474 0.688 0.344 0.750 0.667 CB 1.145 Z: 6 5.964 1.771 0.053 0.625 1.000 0.800 CB 1.272 6 residues pruned to eliminate duplicates Z: 17 19.334 1.839 0.610 0.613 1.000 0.750 CB 1.467 17 residues pruned to eliminate duplicates Z: 7 2.496 1.266 0.455 0.274 0.833 0.500 N 0.858 Z: 6 4.720 1.836 0.788 0.300 0.800 0.600 CB 1.006 6 residues pruned to eliminate duplicates Z: 18 7.716 1.692 0.044 0.375 0.941 0.529 CB 1.286 7 residues pruned to eliminate duplicates Z: 12 10.467 1.794 0.030 0.896 1.000 1.000 CB 1.224 12 residues pruned to eliminate duplicates Z: 6 2.044 1.291 0.220 0.323 0.800 0.800 CB 0.881 Z: 7 9.348 1.902 0.186 0.687 1.000 0.833 N 1.425 Z: 10 7.424 1.702 0.457 0.436 0.889 0.667 CB 1.199 8 residues pruned to eliminate duplicates Z: 7 5.390 1.546 0.620 0.608 0.833 0.667 N 0.952 Z: 9 6.239 1.461 0.563 0.656 1.000 0.500 CB 0.835 6 residues pruned to eliminate duplicates Z: 7 11.672 1.837 0.549 0.866 0.833 0.667 CA 1.471 7 residues pruned to eliminate duplicates 6 1.982 1.397 0.653 0.100 0.600 0.200 C 1.066 ? Z: 6 2.381 1.435 0.910 0.232 0.600 0.600 CB 0.884 Z: 6 6.223 1.502 0.673 0.677 0.800 0.600 CA 1.176 Z: 13 7.361 1.642 0.513 0.482 0.833 0.583 CB 1.045 12 residues pruned to eliminate duplicates Z: 15 3.876 1.601 0.037 0.342 0.714 0.500 CB 1.038 Z: 11 2.569 1.513 0.065 0.290 0.700 0.200 N 0.911 Z: 6 4.324 1.688 0.223 0.588 0.800 0.600 CB 1.076 Z: 24 11.513 1.730 0.508 0.403 0.826 0.565 CB 1.234 35 residues pruned to eliminate duplicates 6 1.790 1.638 0.158 0.475 0.600 0.400 CB 0.721 ? 7 1.831 1.376 0.136 0.136 0.667 0.333 N 1.128 ? Z: 12 7.480 1.428 0.379 0.822 0.818 0.455 N 1.059 12 residues pruned to eliminate duplicates Z: 7 2.640 1.380 0.085 0.424 0.833 0.833 N 0.935 7 residues pruned to eliminate duplicates Z: 14 4.029 1.402 0.565 0.364 0.692 0.154 CB 0.851 Z: 7 4.785 1.643 0.755 0.788 0.833 0.667 CB 0.631 6 residues pruned to eliminate duplicates Z: 20 5.075 1.570 0.387 0.272 0.684 0.421 CB 1.012 20 residues pruned to eliminate duplicates Z: 7 5.896 1.641 0.245 0.527 0.833 0.500 O 1.376 7 residues pruned to eliminate duplicates Z: 11 4.282 1.582 0.250 0.379 0.900 0.300 CB 0.865 Z: 10 5.299 1.539 0.160 0.499 0.778 0.556 CB 1.274 Z: 8 2.766 1.620 -0.081 0.281 0.714 0.429 CB 1.259 8 residues pruned to eliminate duplicates Z: 16 9.834 1.601 0.248 0.634 0.933 0.867 CB 1.201 16 residues pruned to eliminate duplicates Z: 12 12.869 1.657 0.581 0.695 1.000 0.818 CA 1.239 12 residues pruned to eliminate duplicates Z: 15 11.328 1.734 0.698 0.324 0.857 0.357 CB 1.455 14 residues pruned to eliminate duplicates Z: 7 6.402 1.525 0.542 0.664 0.833 0.667 CB 1.146 Z: 9 4.082 1.494 0.257 0.620 1.000 0.750 CB 0.686 Z: 9 2.443 1.163 0.717 0.183 0.875 0.250 N 0.723 Z: 6 9.686 1.694 1.184 0.857 0.600 0.600 N 1.438 6 residues pruned to eliminate duplicates Z: 10 2.730 1.517 0.151 0.269 0.778 0.333 CB 0.871 10 residues pruned to eliminate duplicates 6 1.360 1.401 0.293 0.294 0.600 0.400 CB 0.705 ? Z: 6 2.906 1.238 0.295 0.645 0.800 0.400 CB 0.885 6 0.886 1.460 -0.388 0.128 1.000 0.400 CB 0.706 ? 6 1.364 1.344 0.336 0.317 0.600 0.400 CB 0.693 ? Z: 10 3.613 1.324 0.613 0.280 0.778 0.444 CB 0.930 Z: 10 4.068 1.410 0.683 0.277 0.889 0.556 CB 0.828 6 1.675 1.533 0.415 0.340 0.400 0.400 N 1.029 ? Z: 9 3.750 1.548 0.493 0.280 0.750 0.500 CB 0.980 Z: 9 5.083 1.426 0.757 0.487 0.625 0.375 CA 1.163 Using tripeptides from previous cycle as seeds Z: 16 12.836 1.818 0.577 0.446 0.933 0.467 CB 1.309 16 residues pruned to eliminate duplicates Z: 16 11.389 1.802 0.450 0.478 0.933 0.467 CB 1.234 16 residues pruned to eliminate duplicates Z: 8 10.155 1.780 0.820 0.607 0.857 0.571 CB 1.249 8 residues pruned to eliminate duplicates Z: 16 10.025 1.822 0.363 0.421 0.867 0.333 CB 1.306 16 residues pruned to eliminate duplicates Z: 17 10.628 1.817 0.565 0.325 0.875 0.250 CB 1.294 17 residues pruned to eliminate duplicates Z: 9 9.822 1.680 0.925 0.460 1.000 0.500 CB 1.119 9 residues pruned to eliminate duplicates Z: 14 14.869 1.864 0.781 0.485 0.923 0.462 CB 1.366 14 residues pruned to eliminate duplicates Z: 9 9.005 1.927 0.629 0.238 0.875 0.375 CB 1.571 9 residues pruned to eliminate duplicates Z: 12 11.620 1.846 0.593 0.301 1.000 0.636 CB 1.487 15 residues pruned to eliminate duplicates Z: 7 4.016 1.414 1.307 0.220 1.000 0.333 CB 0.698 7 residues pruned to eliminate duplicates Z: 17 13.682 1.795 0.837 0.367 0.875 0.250 CB 1.368 16 residues pruned to eliminate duplicates Z: 6 3.777 1.484 0.642 0.380 0.800 0.200 CB 0.985 6 residues pruned to eliminate duplicates Z: 16 4.798 1.522 0.238 0.424 0.800 0.267 CB 0.889 12 residues pruned to eliminate duplicates 6 1.100 1.304 -0.183 0.288 1.000 0.600 CB 0.586 ? Z: 8 9.005 1.866 0.597 0.533 1.000 0.571 CB 1.106 8 residues pruned to eliminate duplicates Z: 8 5.018 1.831 0.316 0.453 0.857 0.429 CB 0.963 8 residues pruned to eliminate duplicates Z: 10 6.009 1.887 0.118 0.378 1.000 0.444 CB 1.082 10 residues pruned to eliminate duplicates Z: 10 6.452 1.796 0.158 0.358 1.000 0.667 CB 1.205 10 residues pruned to eliminate duplicates Z: 6 6.716 1.603 1.053 0.458 1.000 0.600 CA 0.953 7 residues pruned to eliminate duplicates Z: 6 2.957 1.186 0.856 0.411 0.800 0.800 CA 0.825 Z: 7 15.030 2.019 0.786 0.700 1.000 0.833 CA 1.418 13 residues pruned to eliminate duplicates Z: 8 11.557 1.931 0.665 0.584 0.857 0.857 N 1.462 8 residues pruned to eliminate duplicates Z: 8 6.788 1.670 0.396 0.556 0.857 0.714 CB 1.215 8 residues pruned to eliminate duplicates Z: 10 7.387 1.682 0.240 0.630 0.889 0.444 CB 1.176 10 residues pruned to eliminate duplicates Z: 13 8.447 1.708 0.399 0.679 0.833 0.667 CB 1.038 13 residues pruned to eliminate duplicates Z: 8 8.310 1.708 0.268 0.902 1.000 1.000 CB 1.035 8 residues pruned to eliminate duplicates Z: 6 5.067 1.508 0.891 0.640 1.000 0.800 CB 0.697 6 residues pruned to eliminate duplicates Z: 9 9.302 1.600 0.394 0.759 1.000 0.625 CB 1.171 9 residues pruned to eliminate duplicates Z: 10 7.329 1.558 0.453 0.656 1.000 0.667 CB 0.934 10 residues pruned to eliminate duplicates Z: 12 16.238 2.008 0.638 0.570 1.000 0.727 CB 1.391 12 residues pruned to eliminate duplicates Z: 6 6.633 1.559 0.769 0.496 1.000 0.800 N 1.080 6 residues pruned to eliminate duplicates Z: 24 20.054 1.906 0.476 0.701 1.000 0.522 CB 1.238 24 residues pruned to eliminate duplicates Z: 17 12.946 1.798 0.639 0.476 0.875 0.625 CB 1.286 17 residues pruned to eliminate duplicates Z: 13 15.674 1.959 0.651 0.539 1.000 0.583 CB 1.347 13 residues pruned to eliminate duplicates Z: 20 11.026 1.756 0.491 0.417 0.947 0.474 CB 1.112 20 residues pruned to eliminate duplicates Z: 15 9.887 1.881 0.248 0.355 0.929 0.643 CB 1.416 15 residues pruned to eliminate duplicates Z: 21 13.907 1.908 0.200 0.601 0.950 0.750 CB 1.298 21 residues pruned to eliminate duplicates Z: 17 11.486 1.758 0.620 0.400 0.938 0.375 CB 1.195 17 residues pruned to eliminate duplicates Z: 19 15.571 1.871 0.341 0.703 0.944 0.611 CB 1.288 19 residues pruned to eliminate duplicates Z: 29 13.509 1.771 0.434 0.483 0.893 0.786 CB 1.145 29 residues pruned to eliminate duplicates Z: 27 16.539 1.939 0.224 0.581 0.962 0.692 CB 1.315 27 residues pruned to eliminate duplicates Z: 15 15.177 1.770 0.541 0.646 0.929 0.714 CB 1.398 15 residues pruned to eliminate duplicates Z: 21 18.822 1.946 0.276 0.640 1.000 0.800 CB 1.487 21 residues pruned to eliminate duplicates Z: 25 19.092 1.880 0.367 0.615 1.000 0.667 CB 1.359 25 residues pruned to eliminate duplicates Z: 14 13.655 1.835 0.375 0.678 1.000 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 21 15.520 1.907 0.359 0.605 0.900 0.550 CB 1.347 21 residues pruned to eliminate duplicates Z: 12 13.156 1.840 0.487 0.761 0.818 0.727 CB 1.405 12 residues pruned to eliminate duplicates Z: 15 12.352 1.838 0.502 0.551 0.857 0.714 CB 1.328 15 residues pruned to eliminate duplicates Z: 25 20.490 1.881 0.525 0.704 0.958 0.833 CB 1.263 25 residues pruned to eliminate duplicates Z: 15 7.320 1.734 0.346 0.593 0.857 0.500 CB 0.894 15 residues pruned to eliminate duplicates Z: 12 11.252 1.833 0.426 0.759 0.909 0.727 CB 1.134 12 residues pruned to eliminate duplicates Z: 21 10.062 1.842 0.434 0.563 0.750 0.400 CB 1.068 21 residues pruned to eliminate duplicates Z: 7 2.527 1.516 0.512 0.198 0.667 0.167 O 0.967 7 residues pruned to eliminate duplicates Z: 40 17.313 1.835 0.321 0.555 0.897 0.538 CB 1.208 79 residues pruned to eliminate duplicates Z: 32 18.455 1.886 0.331 0.584 0.903 0.548 CB 1.349 32 residues pruned to eliminate duplicates Z: 8 10.047 2.021 0.462 0.500 0.857 0.429 CB 1.499 8 residues pruned to eliminate duplicates Z: 8 10.226 2.016 0.391 0.544 0.857 0.429 CB 1.540 8 residues pruned to eliminate duplicates Z: 8 8.064 1.960 0.318 0.583 0.857 0.429 CB 1.271 8 residues pruned to eliminate duplicates Z: 33 15.683 1.906 0.502 0.476 0.875 0.438 CB 1.134 33 residues pruned to eliminate duplicates Z: 12 9.139 1.969 0.304 0.495 0.909 0.455 CB 1.186 12 residues pruned to eliminate duplicates Z: 12 11.856 1.983 0.491 0.604 0.909 0.545 CB 1.205 12 residues pruned to eliminate duplicates Z: 16 10.815 1.827 0.517 0.493 0.800 0.600 CB 1.269 16 residues pruned to eliminate duplicates Z: 19 11.912 1.928 0.363 0.505 0.833 0.611 CB 1.276 19 residues pruned to eliminate duplicates Z: 21 8.647 1.850 0.283 0.424 0.750 0.450 CB 1.175 21 residues pruned to eliminate duplicates Z: 7 7.709 2.081 -0.011 0.633 1.000 1.000 CA 1.349 7 residues pruned to eliminate duplicates Z: 8 13.944 2.097 0.307 0.668 1.000 0.714 CB 1.646 8 residues pruned to eliminate duplicates Z: 9 7.644 1.378 0.657 0.809 1.000 0.500 CA 0.905 6 1.233 1.276 0.048 0.458 0.800 0.400 CA 0.539 ? Z: 6 5.734 1.787 0.932 0.407 1.000 0.600 CA 0.819 8 residues pruned to eliminate duplicates Z: 6 5.180 1.726 1.053 0.250 0.800 0.200 CA 1.089 6 residues pruned to eliminate duplicates Z: 16 11.337 1.725 0.670 0.455 0.933 0.667 CB 1.141 8 residues pruned to eliminate duplicates Z: 8 10.136 1.965 0.652 0.547 0.857 0.714 CB 1.315 8 residues pruned to eliminate duplicates Z: 12 12.144 1.915 0.698 0.401 1.000 0.545 CB 1.250 16 residues pruned to eliminate duplicates Z: 10 10.102 1.723 0.450 0.812 1.000 0.889 CB 1.027 6 residues pruned to eliminate duplicates Z: 7 8.651 1.879 0.211 0.886 1.000 1.000 CB 1.121 7 residues pruned to eliminate duplicates Z: 15 10.091 1.823 0.657 0.439 0.929 0.643 CB 1.024 15 residues pruned to eliminate duplicates Z: 16 11.560 1.773 0.741 0.430 1.000 0.600 CB 1.040 17 residues pruned to eliminate duplicates Z: 10 11.363 1.725 0.685 0.813 1.000 1.000 CB 0.993 10 residues pruned to eliminate duplicates Z: 8 9.828 1.801 0.480 0.905 1.000 1.000 CB 0.992 8 residues pruned to eliminate duplicates Z: 6 8.117 1.899 0.391 0.647 1.000 0.800 CB 1.198 6 residues pruned to eliminate duplicates Z: 7 6.346 1.729 0.253 0.491 0.833 0.500 CB 1.448 8 residues pruned to eliminate duplicates Z: 6 2.944 1.636 0.528 0.363 0.800 0.400 CB 0.763 Z: 6 3.659 1.418 0.464 0.675 1.000 1.000 CB 0.671 Z: 6 2.912 1.364 0.492 0.275 0.800 0.600 CA 1.031 6 residues pruned to eliminate duplicates Z: 7 5.057 1.637 0.297 0.510 0.833 0.333 CA 1.156 7 residues pruned to eliminate duplicates Z: 16 10.781 2.003 0.388 0.317 0.867 0.600 CB 1.414 22 residues pruned to eliminate duplicates Z: 13 8.474 1.977 0.311 0.409 0.833 0.500 CB 1.245 13 residues pruned to eliminate duplicates Z: 29 16.408 1.929 0.350 0.459 0.929 0.464 CB 1.336 37 residues pruned to eliminate duplicates Z: 9 5.576 1.396 0.153 0.600 1.000 0.750 CB 1.114 9 residues pruned to eliminate duplicates Z: 31 15.058 1.884 0.492 0.413 0.933 0.500 CB 1.148 32 residues pruned to eliminate duplicates Z: 6 7.388 1.483 1.149 0.363 1.000 0.600 N 1.201 6 residues pruned to eliminate duplicates Z: 16 19.881 1.866 0.780 0.598 1.000 0.600 CB 1.408 16 residues pruned to eliminate duplicates Z: 13 12.926 1.905 0.779 0.445 0.917 0.583 CB 1.271 22 residues pruned to eliminate duplicates Z: 13 14.926 1.868 0.672 0.521 0.917 0.750 CA 1.473 13 residues pruned to eliminate duplicates Z: 21 12.737 1.805 0.569 0.456 0.900 0.500 CB 1.169 21 residues pruned to eliminate duplicates Z: 34 20.986 1.875 0.621 0.516 0.909 0.636 CB 1.302 38 residues pruned to eliminate duplicates Z: 6 5.194 1.748 -0.048 0.437 1.000 0.200 CB 1.490 6 residues pruned to eliminate duplicates Z: 14 11.652 1.736 0.778 0.495 0.923 0.538 CA 1.140 14 residues pruned to eliminate duplicates Z: 11 15.279 1.926 0.800 0.512 1.000 0.900 CB 1.377 11 residues pruned to eliminate duplicates Z: 34 16.398 1.873 0.418 0.544 0.970 0.697 CB 1.062 34 residues pruned to eliminate duplicates Z: 22 18.495 1.905 0.492 0.667 0.952 0.952 CB 1.278 22 residues pruned to eliminate duplicates Z: 13 12.679 1.956 0.297 0.741 0.917 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 53 24.694 1.889 0.551 0.522 0.942 0.577 CB 1.213 53 residues pruned to eliminate duplicates Z: 29 16.554 1.812 0.479 0.530 0.893 0.714 CB 1.269 29 residues pruned to eliminate duplicates Z: 15 12.849 1.813 0.208 0.750 0.929 0.571 CB 1.351 15 residues pruned to eliminate duplicates Z: 23 10.625 1.790 0.261 0.427 0.864 0.591 CB 1.253 23 residues pruned to eliminate duplicates Z: 33 15.738 1.858 0.474 0.514 0.781 0.562 CB 1.283 33 residues pruned to eliminate duplicates Z: 27 20.186 1.925 0.521 0.517 1.000 0.731 CB 1.329 27 residues pruned to eliminate duplicates Z: 18 13.733 1.842 0.560 0.591 0.941 0.824 CB 1.129 18 residues pruned to eliminate duplicates Z: 46 22.912 1.907 0.561 0.518 0.933 0.711 CB 1.207 46 residues pruned to eliminate duplicates Z: 22 17.261 1.883 0.629 0.604 0.905 0.762 CB 1.229 22 residues pruned to eliminate duplicates Z: 23 15.932 1.915 0.461 0.591 0.864 0.636 CB 1.289 23 residues pruned to eliminate duplicates Z: 34 20.869 1.874 0.473 0.564 1.000 0.758 CB 1.238 34 residues pruned to eliminate duplicates Z: 28 15.577 1.877 0.489 0.545 0.815 0.667 CB 1.259 28 residues pruned to eliminate duplicates Z: 21 18.409 1.914 0.642 0.580 0.850 0.700 CB 1.427 21 residues pruned to eliminate duplicates Z: 42 19.226 1.798 0.580 0.572 0.878 0.707 CB 1.123 42 residues pruned to eliminate duplicates Z: 27 15.159 1.870 0.453 0.496 0.808 0.462 CB 1.360 27 residues pruned to eliminate duplicates Z: 20 17.739 1.960 0.433 0.591 1.000 0.632 CB 1.328 20 residues pruned to eliminate duplicates Z: 33 18.389 1.839 0.548 0.531 0.875 0.469 CB 1.266 33 residues pruned to eliminate duplicates Z: 34 19.289 1.893 0.501 0.477 0.909 0.667 CB 1.330 34 residues pruned to eliminate duplicates Z: 34 16.578 1.877 0.447 0.380 0.879 0.515 CB 1.374 34 residues pruned to eliminate duplicates Z: 8 4.820 1.678 0.208 0.264 0.857 0.714 CB 1.372 13 residues pruned to eliminate duplicates Z: 8 9.424 1.788 0.761 0.536 0.857 0.429 CA 1.273 7 residues pruned to eliminate duplicates Z: 8 8.218 1.777 0.472 0.474 1.000 0.286 CA 1.219 9 residues pruned to eliminate duplicates Z: 8 6.823 1.590 0.636 0.547 0.714 0.286 CA 1.326 8 residues pruned to eliminate duplicates Z: 7 7.141 1.920 0.792 0.407 0.833 0.667 CB 1.121 7 residues pruned to eliminate duplicates Z: 9 6.555 1.793 0.682 0.432 0.750 0.375 CB 1.100 6 residues pruned to eliminate duplicates Z: 8 3.096 1.463 0.544 0.403 0.857 0.429 CB 0.669 Z: 12 7.589 1.780 0.477 0.533 0.909 0.636 CB 0.926 Z: 6 5.896 1.416 1.088 0.440 0.800 0.400 O 1.187 6 residues pruned to eliminate duplicates Z: 7 3.929 1.257 0.723 0.482 1.000 0.667 N 0.754 7 residues pruned to eliminate duplicates Z: 8 3.447 1.873 0.413 0.575 0.857 0.714 CB 0.534 7 residues pruned to eliminate duplicates Z: 6 3.948 1.502 0.774 0.203 1.000 0.200 CB 0.942 6 residues pruned to eliminate duplicates Z: 15 13.935 1.738 0.650 0.557 0.857 0.500 CB 1.434 15 residues pruned to eliminate duplicates Z: 25 14.762 1.859 0.723 0.534 0.917 0.667 CB 0.993 27 residues pruned to eliminate duplicates Z: 6 2.862 1.434 0.166 0.279 0.800 0.600 CB 1.228 6 residues pruned to eliminate duplicates Z: 19 13.358 1.865 0.580 0.489 0.833 0.500 CB 1.297 19 residues pruned to eliminate duplicates Z: 13 13.560 1.904 0.633 0.549 1.000 0.583 CB 1.200 13 residues pruned to eliminate duplicates Z: 16 13.487 1.839 0.534 0.507 1.000 0.533 CB 1.226 16 residues pruned to eliminate duplicates Z: 18 9.826 1.882 0.607 0.413 0.765 0.529 CB 1.129 18 residues pruned to eliminate duplicates Z: 15 13.174 1.882 0.711 0.586 0.929 0.571 CB 1.084 15 residues pruned to eliminate duplicates Z: 15 11.671 1.919 0.649 0.542 0.857 0.500 CB 1.104 15 residues pruned to eliminate duplicates Z: 16 11.778 1.929 0.732 0.431 0.800 0.400 CB 1.222 16 residues pruned to eliminate duplicates Z: 18 11.900 1.887 0.662 0.457 0.824 0.529 CB 1.168 18 residues pruned to eliminate duplicates Z: 29 13.946 1.831 0.560 0.512 0.750 0.464 CB 1.216 29 residues pruned to eliminate duplicates Z: 35 14.314 1.826 0.499 0.533 0.824 0.706 CB 1.053 35 residues pruned to eliminate duplicates Z: 17 8.729 1.861 0.505 0.495 0.812 0.625 CB 0.964 17 residues pruned to eliminate duplicates Z: 30 16.387 1.877 0.576 0.596 0.828 0.655 CB 1.134 30 residues pruned to eliminate duplicates Z: 18 12.122 1.765 0.673 0.662 0.765 0.647 CB 1.121 18 residues pruned to eliminate duplicates Z: 14 18.035 1.899 0.570 0.737 1.000 0.769 CB 1.356 14 residues pruned to eliminate duplicates Z: 14 14.420 1.853 0.621 0.738 1.000 0.692 CB 1.075 14 residues pruned to eliminate duplicates Z: 14 18.516 1.812 0.792 0.840 1.000 0.538 CB 1.180 14 residues pruned to eliminate duplicates Z: 13 23.525 1.926 0.934 0.855 1.000 0.667 CB 1.345 14 residues pruned to eliminate duplicates Z: 14 24.340 1.899 0.940 0.901 0.923 0.692 CB 1.417 14 residues pruned to eliminate duplicates Z: 13 9.491 1.787 0.614 0.561 0.833 0.417 CB 1.075 13 residues pruned to eliminate duplicates Z: 15 15.205 1.880 0.893 0.760 0.857 0.643 CB 1.057 15 residues pruned to eliminate duplicates Z: 14 18.777 1.878 0.807 0.754 1.000 0.769 CB 1.224 14 residues pruned to eliminate duplicates Z: 20 19.246 1.829 0.747 0.644 0.947 0.632 CB 1.275 20 residues pruned to eliminate duplicates Z: 15 15.443 1.777 0.724 0.806 0.857 0.714 CB 1.203 14 residues pruned to eliminate duplicates Z: 12 15.476 1.815 0.707 0.863 0.818 0.545 CB 1.350 12 residues pruned to eliminate duplicates Z: 15 21.170 1.814 0.894 0.878 1.000 0.571 CB 1.195 14 residues pruned to eliminate duplicates Z: 6 5.623 1.704 0.460 0.651 1.000 0.800 CB 0.879 6 residues pruned to eliminate duplicates Z: 19 17.554 1.996 0.888 0.596 0.944 0.722 CB 1.061 19 residues pruned to eliminate duplicates Z: 19 20.208 2.012 0.966 0.595 0.833 0.667 CB 1.320 22 residues pruned to eliminate duplicates Z: 7 12.409 2.002 1.134 0.357 1.000 0.667 CA 1.383 7 residues pruned to eliminate duplicates Z: 19 18.303 1.957 0.836 0.600 0.944 0.722 CB 1.156 19 residues pruned to eliminate duplicates Z: 20 20.275 1.952 0.912 0.588 0.947 0.632 CB 1.209 20 residues pruned to eliminate duplicates Z: 16 20.479 2.096 0.750 0.597 0.933 0.800 CB 1.408 16 residues pruned to eliminate duplicates Z: 16 16.868 1.988 0.818 0.600 0.800 0.667 CB 1.370 19 residues pruned to eliminate duplicates Z: 6 3.765 1.431 0.797 0.446 0.800 0.800 N 0.865 6 residues pruned to eliminate duplicates Z: 24 15.480 1.923 0.749 0.443 0.826 0.565 CB 1.231 24 residues pruned to eliminate duplicates Z: 16 22.812 2.092 0.892 0.577 1.000 0.667 CB 1.381 16 residues pruned to eliminate duplicates Z: 16 18.830 2.062 1.065 0.590 0.867 0.667 CB 1.209 16 residues pruned to eliminate duplicates Z: 18 18.328 2.010 0.902 0.529 0.882 0.647 CB 1.281 18 residues pruned to eliminate duplicates Z: 21 18.950 1.916 0.832 0.600 0.900 0.700 CB 1.220 21 residues pruned to eliminate duplicates Z: 19 15.712 1.930 0.763 0.527 0.889 0.611 CB 1.192 18 residues pruned to eliminate duplicates Z: 7 6.061 1.559 0.597 0.683 0.833 0.333 CB 1.008 Z: 11 11.488 1.624 0.579 0.846 1.000 0.800 CB 1.052 11 residues pruned to eliminate duplicates Z: 9 9.069 1.633 0.873 0.613 0.750 0.500 CB 1.256 10 residues pruned to eliminate duplicates Z: 11 9.795 1.684 0.421 0.758 0.900 0.600 CB 1.142 10 residues pruned to eliminate duplicates Z: 13 10.290 1.506 0.513 0.744 0.917 0.417 CB 1.144 12 residues pruned to eliminate duplicates Z: 11 7.610 1.492 0.494 0.773 0.900 0.700 CB 0.943 18 residues pruned to eliminate duplicates Z: 12 9.905 1.425 0.751 0.771 1.000 0.727 CB 0.941 13 residues pruned to eliminate duplicates Z: 7 4.857 1.596 0.600 0.452 0.833 0.500 CB 0.979 7 residues pruned to eliminate duplicates Z: 12 4.177 1.634 0.630 0.224 0.636 0.182 CB 1.027 12 residues pruned to eliminate duplicates Z: 6 2.877 1.601 0.494 0.487 0.800 0.200 CB 0.681 Z: 15 5.061 1.506 0.756 0.253 0.714 0.286 CB 0.951 21 residues pruned to eliminate duplicates Z: 7 3.481 1.640 0.333 0.144 0.833 0.500 O 1.211 6 residues pruned to eliminate duplicates Z: 15 15.026 1.819 0.559 0.869 1.000 0.714 CB 1.035 15 residues pruned to eliminate duplicates Z: 18 8.633 1.646 0.403 0.515 0.882 0.529 CB 1.013 11 residues pruned to eliminate duplicates Z: 9 7.327 1.789 -0.110 0.847 1.000 0.750 CB 1.208 9 residues pruned to eliminate duplicates Z: 11 6.686 1.755 -0.044 0.723 1.000 0.800 CB 1.030 11 residues pruned to eliminate duplicates Z: 18 10.630 1.748 0.181 0.774 0.941 0.824 CB 1.041 18 residues pruned to eliminate duplicates Z: 19 10.898 1.773 0.127 0.729 0.889 0.833 CB 1.177 19 residues pruned to eliminate duplicates Z: 17 11.923 1.799 0.300 0.711 0.938 0.812 CB 1.123 17 residues pruned to eliminate duplicates Z: 11 9.903 1.777 0.468 0.725 0.900 0.800 CB 1.089 11 residues pruned to eliminate duplicates Z: 12 10.172 1.759 0.501 0.832 0.818 0.727 CB 1.066 12 residues pruned to eliminate duplicates Z: 17 14.512 1.788 0.378 0.782 0.938 0.750 CB 1.225 17 residues pruned to eliminate duplicates Z: 12 9.943 1.812 0.351 0.754 0.909 0.273 CB 1.074 12 residues pruned to eliminate duplicates Z: 12 8.038 1.607 0.695 0.474 0.727 0.455 CA 1.256 12 residues pruned to eliminate duplicates Z: 19 12.378 1.733 0.457 0.748 0.889 0.722 CB 1.042 19 residues pruned to eliminate duplicates Z: 18 13.958 1.770 0.429 0.809 0.941 0.824 CB 1.087 18 residues pruned to eliminate duplicates Z: 9 9.486 1.910 0.448 0.674 1.000 0.625 CB 1.033 9 residues pruned to eliminate duplicates Z: 6 5.541 1.917 0.468 0.590 0.800 0.800 CB 1.009 6 residues pruned to eliminate duplicates Z: 9 7.637 1.797 0.625 0.549 0.875 0.625 CB 1.008 9 residues pruned to eliminate duplicates Z: 17 7.307 1.684 0.272 0.447 0.875 0.562 CB 1.029 8 residues pruned to eliminate duplicates Z: 10 5.536 1.297 0.672 0.523 0.889 0.667 CB 0.936 10 residues pruned to eliminate duplicates Z: 8 9.650 1.836 0.478 0.551 0.857 0.571 CB 1.492 8 residues pruned to eliminate duplicates Z: 13 9.782 1.793 0.593 0.404 0.750 0.417 CB 1.458 12 residues pruned to eliminate duplicates Z: 9 12.293 1.758 0.697 0.703 1.000 0.750 CB 1.210 9 residues pruned to eliminate duplicates Z: 10 4.116 1.581 0.384 0.363 0.667 0.111 CB 1.089 10 residues pruned to eliminate duplicates Z: 9 4.958 1.827 0.300 0.316 0.625 0.500 N 1.448 9 residues pruned to eliminate duplicates Z: 7 10.421 1.981 0.647 0.673 0.833 0.333 CB 1.334 7 residues pruned to eliminate duplicates Z: 19 11.374 1.820 0.474 0.531 0.889 0.667 CB 1.090 19 residues pruned to eliminate duplicates Z: 18 11.343 1.867 0.526 0.531 0.941 0.588 CB 0.995 18 residues pruned to eliminate duplicates Z: 30 20.768 1.875 0.476 0.654 0.931 0.655 CB 1.297 33 residues pruned to eliminate duplicates Z: 8 5.721 1.859 0.162 0.653 1.000 0.857 CB 0.868 8 residues pruned to eliminate duplicates Z: 31 14.747 1.777 0.416 0.582 0.867 0.533 CB 1.141 31 residues pruned to eliminate duplicates Z: 29 15.716 1.822 0.506 0.533 0.929 0.607 CB 1.128 29 residues pruned to eliminate duplicates Z: 18 10.107 1.830 0.273 0.489 0.941 0.412 CB 1.131 18 residues pruned to eliminate duplicates Z: 26 8.944 1.719 0.328 0.410 0.720 0.360 CB 1.196 25 residues pruned to eliminate duplicates Z: 18 16.354 1.727 0.486 0.708 0.941 0.529 CB 1.360 18 residues pruned to eliminate duplicates Z: 24 14.670 1.750 0.546 0.571 0.870 0.609 CB 1.215 24 residues pruned to eliminate duplicates Z: 22 15.804 1.869 0.405 0.619 0.952 0.667 CB 1.232 22 residues pruned to eliminate duplicates Z: 29 15.205 1.832 0.396 0.530 0.893 0.536 CB 1.221 29 residues pruned to eliminate duplicates Z: 21 19.450 1.897 0.360 0.730 0.950 0.650 CB 1.442 21 residues pruned to eliminate duplicates Z: 34 15.463 1.822 0.417 0.582 0.788 0.333 CB 1.224 34 residues pruned to eliminate duplicates Z: 32 15.674 1.827 0.487 0.575 0.806 0.484 CB 1.195 32 residues pruned to eliminate duplicates Z: 14 12.029 1.798 0.594 0.571 0.769 0.538 CB 1.413 14 residues pruned to eliminate duplicates Z: 19 14.408 1.757 0.365 0.678 0.833 0.556 CB 1.443 14 residues pruned to eliminate duplicates Z: 17 22.013 1.879 0.661 0.814 0.938 0.812 CB 1.432 20 residues pruned to eliminate duplicates Z: 15 17.593 1.819 0.458 0.822 1.000 0.786 CB 1.342 15 residues pruned to eliminate duplicates Z: 30 19.245 1.855 0.439 0.584 0.966 0.483 CB 1.280 30 residues pruned to eliminate duplicates Z: 13 7.649 1.663 0.596 0.410 0.750 0.250 N 1.219 9 residues pruned to eliminate duplicates Z: 18 21.572 1.739 0.649 0.799 0.941 0.765 CA 1.493 18 residues pruned to eliminate duplicates Z: 10 10.543 1.740 0.410 0.601 0.889 0.667 N 1.464 10 residues pruned to eliminate duplicates Z: 15 16.543 1.745 0.571 0.809 0.929 0.857 CB 1.326 15 residues pruned to eliminate duplicates Z: 15 15.710 1.756 0.485 0.711 1.000 0.714 CB 1.330 15 residues pruned to eliminate duplicates Z: 15 18.718 1.765 0.589 0.863 1.000 0.786 CB 1.308 15 residues pruned to eliminate duplicates Z: 14 13.682 1.774 0.382 0.844 0.923 0.615 CB 1.248 14 residues pruned to eliminate duplicates Z: 17 11.116 1.667 0.500 0.672 0.875 0.688 CB 1.084 16 residues pruned to eliminate duplicates Z: 13 16.575 1.815 0.642 0.873 0.917 0.750 CB 1.276 13 residues pruned to eliminate duplicates Z: 15 16.218 1.720 0.543 0.819 1.000 0.857 CB 1.239 15 residues pruned to eliminate duplicates Z: 12 13.173 1.866 0.095 0.894 1.000 1.000 CB 1.394 12 residues pruned to eliminate duplicates Z: 17 14.999 1.724 0.545 0.739 1.000 0.688 CB 1.136 17 residues pruned to eliminate duplicates Z: 18 17.272 1.752 0.657 0.656 0.882 0.765 CB 1.415 18 residues pruned to eliminate duplicates Z: 17 15.125 1.756 0.681 0.652 0.812 0.562 N 1.369 17 residues pruned to eliminate duplicates Z: 13 18.101 1.817 0.696 0.834 0.917 0.583 CB 1.386 13 residues pruned to eliminate duplicates Z: 16 12.898 1.727 0.538 0.651 0.933 0.667 CB 1.167 15 residues pruned to eliminate duplicates Z: 12 16.256 1.822 0.707 0.830 0.909 0.909 CB 1.304 13 residues pruned to eliminate duplicates Z: 13 17.431 1.796 0.784 0.885 0.917 0.833 CB 1.237 13 residues pruned to eliminate duplicates Z: 13 16.643 1.832 0.653 0.857 0.917 0.667 CB 1.275 13 residues pruned to eliminate duplicates Z: 16 17.746 1.813 0.800 0.732 0.933 0.867 CB 1.221 16 residues pruned to eliminate duplicates Z: 15 17.165 1.778 0.637 0.749 0.929 0.643 CB 1.359 15 residues pruned to eliminate duplicates Z: 16 11.402 1.670 0.728 0.696 0.800 0.667 CB 1.066 16 residues pruned to eliminate duplicates Z: 23 12.165 1.516 0.631 0.601 0.864 0.545 CB 1.104 15 residues pruned to eliminate duplicates Z: 14 9.918 1.684 0.350 0.790 0.846 0.692 CB 1.108 14 residues pruned to eliminate duplicates Z: 21 11.294 1.632 0.339 0.611 0.950 0.600 CB 1.095 17 residues pruned to eliminate duplicates Z: 15 17.252 1.769 0.836 0.788 0.857 0.571 CB 1.285 15 residues pruned to eliminate duplicates Z: 17 14.277 1.673 0.476 0.782 0.875 0.688 CB 1.289 20 residues pruned to eliminate duplicates Z: 15 12.874 1.705 0.528 0.796 0.929 0.786 CB 1.097 15 residues pruned to eliminate duplicates Z: 14 14.271 1.710 0.538 0.777 1.000 0.769 CB 1.178 14 residues pruned to eliminate duplicates Z: 18 9.851 1.634 0.379 0.627 0.824 0.706 CB 1.142 18 residues pruned to eliminate duplicates Z: 16 14.859 1.769 0.424 0.653 1.000 0.733 CB 1.320 16 residues pruned to eliminate duplicates Z: 15 13.534 1.806 0.385 0.752 0.929 0.786 CB 1.244 15 residues pruned to eliminate duplicates Z: 15 14.598 1.778 0.471 0.675 1.000 0.714 CB 1.270 15 residues pruned to eliminate duplicates Z: 16 14.434 1.772 0.297 0.750 1.000 0.800 CB 1.297 16 residues pruned to eliminate duplicates Z: 16 15.481 1.753 0.503 0.762 1.000 0.800 CB 1.202 16 residues pruned to eliminate duplicates Z: 10 4.314 1.553 0.370 0.604 0.778 0.444 CB 0.787 10 residues pruned to eliminate duplicates Z: 6 2.897 1.564 0.132 0.642 1.000 0.600 CB 0.641 6 residues pruned to eliminate duplicates Z: 6 2.762 1.664 0.330 0.648 0.800 0.600 CB 0.608 6 residues pruned to eliminate duplicates Z: 13 7.091 1.529 0.715 0.583 0.917 0.417 CB 0.786 13 residues pruned to eliminate duplicates Z: 11 3.923 1.442 0.679 0.461 0.700 0.400 CB 0.762 11 residues pruned to eliminate duplicates Z: 10 5.771 1.540 0.505 0.624 0.778 0.444 CB 0.949 10 residues pruned to eliminate duplicates Z: 14 6.567 1.603 0.603 0.510 0.692 0.462 CB 1.014 14 residues pruned to eliminate duplicates Z: 17 12.850 1.617 0.673 0.656 1.000 0.625 CB 1.027 14 residues pruned to eliminate duplicates Z: 10 14.925 1.647 0.729 0.861 1.000 0.667 N 1.283 10 residues pruned to eliminate duplicates Z: 13 10.113 1.553 0.406 0.769 1.000 0.500 CB 1.054 13 residues pruned to eliminate duplicates Z: 16 11.500 1.590 0.682 0.694 1.000 0.800 CB 0.930 16 residues pruned to eliminate duplicates Z: 15 11.936 1.596 0.816 0.767 0.929 0.643 CB 0.935 15 residues pruned to eliminate duplicates Z: 13 10.908 1.560 0.496 0.714 1.000 0.500 CB 1.111 13 residues pruned to eliminate duplicates Z: 14 15.566 1.881 0.600 0.578 0.923 0.692 CB 1.441 14 residues pruned to eliminate duplicates Z: 14 11.891 1.872 0.403 0.420 0.923 0.385 CB 1.478 14 residues pruned to eliminate duplicates Z: 7 10.062 1.857 0.275 0.767 1.000 0.833 CA 1.368 8 residues pruned to eliminate duplicates Z: 8 8.191 1.710 0.625 0.634 0.857 0.857 CA 1.147 8 residues pruned to eliminate duplicates Z: 13 13.829 1.989 0.350 0.518 0.917 0.833 CB 1.594 13 residues pruned to eliminate duplicates Z: 13 14.698 1.941 0.472 0.530 1.000 0.833 CB 1.443 13 residues pruned to eliminate duplicates Z: 13 13.247 1.881 0.585 0.462 0.917 0.417 CB 1.454 13 residues pruned to eliminate duplicates Z: 14 10.913 1.931 0.474 0.487 0.769 0.538 CB 1.401 14 residues pruned to eliminate duplicates Z: 17 10.268 1.834 0.529 0.360 0.812 0.562 CB 1.309 17 residues pruned to eliminate duplicates Z: 14 12.324 2.022 0.403 0.508 0.846 0.692 CB 1.413 14 residues pruned to eliminate duplicates Z: 7 2.198 1.519 -0.084 0.240 0.833 0.167 O 1.045 3 residues pruned to eliminate duplicates Z: 15 15.843 1.893 0.419 0.705 0.929 0.643 CB 1.409 15 residues pruned to eliminate duplicates Z: 17 18.023 1.884 0.584 0.588 0.875 0.500 CB 1.586 17 residues pruned to eliminate duplicates Z: 11 9.338 1.846 0.435 0.353 0.800 0.500 CA 1.634 11 residues pruned to eliminate duplicates Z: 27 14.989 1.857 0.498 0.492 0.846 0.500 CB 1.259 24 residues pruned to eliminate duplicates Z: 15 13.709 1.809 0.280 0.857 1.000 0.857 CB 1.166 15 residues pruned to eliminate duplicates Z: 26 14.264 1.880 0.537 0.505 0.840 0.560 CB 1.169 30 residues pruned to eliminate duplicates Z: 12 16.222 1.980 0.550 0.820 1.000 0.727 CB 1.207 12 residues pruned to eliminate duplicates Z: 26 15.241 1.889 0.409 0.466 0.800 0.360 CB 1.482 31 residues pruned to eliminate duplicates Z: 13 16.186 1.932 0.537 0.818 1.000 1.000 CB 1.194 13 residues pruned to eliminate duplicates Z: 26 21.157 1.915 0.460 0.567 1.000 0.680 CB 1.419 27 residues pruned to eliminate duplicates Z: 11 17.110 2.040 0.593 0.868 0.800 0.700 CB 1.522 11 residues pruned to eliminate duplicates Z: 37 20.215 1.877 0.481 0.559 0.917 0.611 CB 1.249 35 residues pruned to eliminate duplicates Z: 13 16.851 1.924 0.521 0.771 0.917 0.667 CB 1.427 13 residues pruned to eliminate duplicates Z: 25 14.672 1.830 0.525 0.601 0.792 0.583 CB 1.231 25 residues pruned to eliminate duplicates Z: 11 5.239 1.700 0.506 0.360 0.800 0.500 CB 0.940 11 residues pruned to eliminate duplicates Z: 9 6.292 1.856 0.399 0.524 0.875 0.375 CB 0.956 9 residues pruned to eliminate duplicates Z: 23 18.944 1.881 0.575 0.607 0.909 0.636 CB 1.354 23 residues pruned to eliminate duplicates Z: 23 13.388 1.807 0.506 0.589 0.864 0.591 CB 1.115 23 residues pruned to eliminate duplicates Z: 6 2.549 1.851 0.522 0.285 0.600 0.400 CB 0.860 6 residues pruned to eliminate duplicates Z: 6 4.040 1.843 0.594 0.447 0.600 0.600 CB 1.082 6 residues pruned to eliminate duplicates Z: 24 16.759 1.834 0.586 0.576 0.870 0.565 CB 1.284 24 residues pruned to eliminate duplicates Z: 19 8.129 1.885 0.310 0.305 0.778 0.500 CB 1.239 20 residues pruned to eliminate duplicates Z: 7 2.448 1.321 0.520 0.363 1.000 0.667 CA 0.577 Z: 6 3.350 1.263 0.592 0.456 0.800 0.600 N 0.974 6 residues pruned to eliminate duplicates Z: 10 4.307 1.783 0.450 0.123 0.778 0.333 CB 1.145 10 residues pruned to eliminate duplicates Z: 14 8.158 1.860 0.487 0.370 0.769 0.462 CB 1.223 21 residues pruned to eliminate duplicates Z: 15 7.235 1.809 0.224 0.323 1.000 0.500 CB 1.061 15 residues pruned to eliminate duplicates Z: 15 7.902 1.793 0.338 0.364 0.929 0.643 CB 1.097 15 residues pruned to eliminate duplicates Z: 23 13.160 1.791 0.497 0.440 0.909 0.500 CB 1.224 21 residues pruned to eliminate duplicates Z: 19 18.941 1.860 0.402 0.720 1.000 0.722 CB 1.403 15 residues pruned to eliminate duplicates Z: 17 23.841 2.014 0.663 0.744 1.000 0.750 CB 1.430 17 residues pruned to eliminate duplicates Z: 19 20.855 2.091 0.578 0.619 0.944 0.722 CB 1.409 19 residues pruned to eliminate duplicates Z: 27 17.569 1.951 0.509 0.530 0.962 0.615 CB 1.183 27 residues pruned to eliminate duplicates Z: 20 18.909 2.049 0.538 0.599 0.947 0.684 CB 1.323 20 residues pruned to eliminate duplicates Z: 26 21.913 2.024 0.633 0.557 0.920 0.640 CB 1.363 26 residues pruned to eliminate duplicates Z: 25 24.609 2.030 0.797 0.530 0.958 0.625 CB 1.395 27 residues pruned to eliminate duplicates Z: 15 25.257 2.003 0.907 0.823 0.929 0.714 CB 1.438 20 residues pruned to eliminate duplicates Z: 16 23.352 1.921 0.913 0.894 1.000 0.800 CB 1.177 16 residues pruned to eliminate duplicates Z: 25 27.239 2.054 0.793 0.583 1.000 0.708 CB 1.394 28 residues pruned to eliminate duplicates Z: 19 21.623 1.774 0.885 0.852 0.944 0.889 CB 1.194 20 residues pruned to eliminate duplicates Z: 12 23.432 2.002 1.375 0.848 0.909 0.182 CB 1.213 12 residues pruned to eliminate duplicates Z: 29 18.929 1.919 0.797 0.532 0.821 0.500 CB 1.223 29 residues pruned to eliminate duplicates Z: 19 19.917 2.040 0.808 0.631 0.889 0.722 CB 1.266 19 residues pruned to eliminate duplicates Z: 25 23.437 1.977 0.878 0.572 0.917 0.542 CB 1.311 25 residues pruned to eliminate duplicates Z: 22 22.276 2.038 0.859 0.509 0.905 0.286 CB 1.406 22 residues pruned to eliminate duplicates Z: 16 18.882 2.103 0.858 0.596 0.800 0.467 CB 1.423 16 residues pruned to eliminate duplicates Z: 14 8.284 1.902 0.373 0.248 0.923 0.385 CB 1.275 14 residues pruned to eliminate duplicates Z: 22 23.376 2.056 0.687 0.611 0.905 0.476 CB 1.463 22 residues pruned to eliminate duplicates Z: 27 17.993 1.994 0.653 0.480 0.846 0.423 CB 1.291 27 residues pruned to eliminate duplicates Z: 23 20.136 2.016 0.742 0.518 0.909 0.500 CB 1.321 23 residues pruned to eliminate duplicates Z: 46 24.316 1.860 0.689 0.534 0.978 0.578 CB 1.142 54 residues pruned to eliminate duplicates Z: 7 9.364 1.742 0.724 0.493 1.000 0.667 CB 1.283 8 residues pruned to eliminate duplicates Z: 8 7.691 1.394 0.803 0.449 1.000 0.714 CA 1.218 8 residues pruned to eliminate duplicates Z: 6 2.383 1.521 0.247 0.440 0.600 0.200 CB 0.996 6 residues pruned to eliminate duplicates Z: 8 6.366 1.827 0.821 0.391 0.857 0.429 CB 0.947 Z: 6 10.850 1.778 0.665 0.590 1.000 0.600 CA 1.503 13 residues pruned to eliminate duplicates Z: 7 5.404 1.625 0.489 0.528 0.833 0.333 CB 1.064 Z: 26 14.607 1.891 0.565 0.352 0.880 0.480 CB 1.316 34 residues pruned to eliminate duplicates Z: 7 7.560 1.856 0.573 0.593 0.833 0.667 N 1.161 7 residues pruned to eliminate duplicates Z: 21 15.770 1.950 0.604 0.383 0.850 0.450 CB 1.502 21 residues pruned to eliminate duplicates Z: 30 20.297 1.877 0.675 0.444 0.862 0.552 CB 1.473 30 residues pruned to eliminate duplicates Z: 61 28.519 1.915 0.567 0.530 0.900 0.567 CB 1.323 61 residues pruned to eliminate duplicates Z: 22 15.852 1.904 0.419 0.408 0.905 0.571 N 1.559 22 residues pruned to eliminate duplicates Z: 21 9.671 1.851 0.363 0.284 0.800 0.450 CB 1.365 21 residues pruned to eliminate duplicates Z: 22 9.660 1.801 0.394 0.260 0.857 0.381 CB 1.288 22 residues pruned to eliminate duplicates Z: 20 14.250 1.910 0.649 0.414 0.789 0.368 CB 1.438 20 residues pruned to eliminate duplicates Z: 10 10.924 2.013 0.264 0.530 0.889 0.222 N 1.562 10 residues pruned to eliminate duplicates Z: 21 11.142 1.872 0.356 0.382 0.800 0.500 CB 1.392 21 residues pruned to eliminate duplicates Z: 21 15.594 1.980 0.464 0.417 0.850 0.550 CB 1.544 21 residues pruned to eliminate duplicates Z: 21 14.236 1.905 0.411 0.398 0.950 0.550 CB 1.388 21 residues pruned to eliminate duplicates Z: 36 16.698 1.843 0.552 0.376 0.829 0.457 CB 1.360 36 residues pruned to eliminate duplicates Z: 19 17.835 1.928 0.589 0.464 0.944 0.722 CB 1.507 19 residues pruned to eliminate duplicates Z: 36 20.720 1.865 0.412 0.420 0.971 0.486 CB 1.488 36 residues pruned to eliminate duplicates Z: 11 9.060 1.857 0.234 0.393 1.000 0.500 N 1.401 11 residues pruned to eliminate duplicates Z: 20 17.189 1.906 0.622 0.464 0.947 0.579 CB 1.397 20 residues pruned to eliminate duplicates Z: 27 18.663 1.933 0.554 0.496 0.808 0.462 CB 1.515 27 residues pruned to eliminate duplicates Z: 30 17.808 1.852 0.462 0.466 0.862 0.552 CB 1.465 30 residues pruned to eliminate duplicates Z: 32 17.385 1.863 0.527 0.429 0.839 0.452 CB 1.408 32 residues pruned to eliminate duplicates Z: 25 18.169 1.924 0.548 0.484 0.917 0.500 CB 1.380 25 residues pruned to eliminate duplicates Z: 43 18.019 1.866 0.449 0.399 0.810 0.524 CB 1.413 43 residues pruned to eliminate duplicates Z: 12 7.619 1.729 0.174 0.474 0.818 0.636 N 1.421 12 residues pruned to eliminate duplicates Z: 14 14.264 1.686 0.614 0.526 1.000 0.615 CA 1.417 14 residues pruned to eliminate duplicates Z: 24 13.589 1.753 0.467 0.363 0.913 0.522 CB 1.399 24 residues pruned to eliminate duplicates Z: 38 21.723 1.874 0.590 0.418 0.919 0.595 CB 1.421 38 residues pruned to eliminate duplicates Z: 23 13.699 1.759 0.394 0.373 0.955 0.500 CB 1.429 23 residues pruned to eliminate duplicates Z: 20 15.818 1.751 0.668 0.454 0.895 0.632 CA 1.457 20 residues pruned to eliminate duplicates Z: 52 23.679 1.844 0.689 0.421 0.902 0.588 CB 1.281 60 residues pruned to eliminate duplicates Z: 9 7.097 1.385 1.073 0.482 1.000 0.500 CA 0.890 9 residues pruned to eliminate duplicates Z: 14 8.126 1.663 0.323 0.344 1.000 0.538 CB 1.213 9 residues pruned to eliminate duplicates Z: 6 10.459 1.742 0.588 0.715 1.000 0.600 CA 1.392 9 residues pruned to eliminate duplicates Z: 8 8.843 1.740 0.351 0.766 0.857 0.571 CB 1.310 7 residues pruned to eliminate duplicates Z: 6 4.709 1.690 0.383 0.581 0.800 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 10 6.055 1.899 -0.013 0.445 0.889 0.778 CB 1.282 10 residues pruned to eliminate duplicates Z: 23 9.017 1.678 0.104 0.592 0.864 0.727 CB 1.100 23 residues pruned to eliminate duplicates Z: 20 7.868 1.643 0.167 0.499 0.895 0.421 CB 1.053 20 residues pruned to eliminate duplicates Z: 17 14.641 1.718 0.593 0.683 0.938 0.688 CB 1.206 17 residues pruned to eliminate duplicates Z: 19 10.963 1.614 0.504 0.650 0.889 0.722 CB 1.042 19 residues pruned to eliminate duplicates Z: 13 12.563 1.654 0.771 0.640 1.000 0.750 CB 1.086 13 residues pruned to eliminate duplicates Z: 11 10.749 1.707 0.787 0.697 0.900 0.800 CB 1.035 11 residues pruned to eliminate duplicates Z: 13 8.667 1.661 0.556 0.579 1.000 0.583 CB 0.897 13 residues pruned to eliminate duplicates Z: 15 9.485 1.602 0.512 0.552 1.000 0.714 CB 0.994 15 residues pruned to eliminate duplicates Z: 22 11.626 1.705 0.461 0.585 0.905 0.762 CB 1.037 22 residues pruned to eliminate duplicates Z: 20 12.915 1.693 0.585 0.556 0.947 0.632 CB 1.105 20 residues pruned to eliminate duplicates Z: 18 15.758 1.719 0.574 0.666 1.000 0.706 CB 1.211 18 residues pruned to eliminate duplicates Z: 15 13.107 1.767 0.493 0.698 0.929 0.643 CB 1.194 15 residues pruned to eliminate duplicates Z: 27 12.777 1.718 0.639 0.464 0.846 0.538 CB 1.092 27 residues pruned to eliminate duplicates Z: 19 17.004 1.725 0.818 0.546 1.000 0.556 CB 1.222 16 residues pruned to eliminate duplicates Z: 14 17.008 1.740 0.774 0.681 1.000 0.769 CB 1.293 14 residues pruned to eliminate duplicates Z: 23 11.379 1.683 0.398 0.492 0.818 0.545 CB 1.271 20 residues pruned to eliminate duplicates Z: 6 5.114 1.778 0.073 0.624 0.800 0.600 CB 1.334 6 residues pruned to eliminate duplicates Z: 9 5.955 1.625 0.253 0.474 0.875 0.375 N 1.213 9 residues pruned to eliminate duplicates Z: 9 5.628 1.587 0.367 0.483 0.875 0.500 CB 1.066 9 residues pruned to eliminate duplicates Z: 11 7.041 1.618 0.177 0.388 1.000 0.500 CB 1.316 11 residues pruned to eliminate duplicates Z: 16 6.201 1.691 0.175 0.363 0.867 0.533 CB 1.077 16 residues pruned to eliminate duplicates Z: 12 6.220 1.660 0.132 0.438 1.000 0.636 CB 1.064 12 residues pruned to eliminate duplicates Z: 9 3.153 1.428 0.051 0.386 0.875 0.250 CB 0.958 8 residues pruned to eliminate duplicates Z: 7 3.461 1.477 0.110 0.269 1.000 0.500 N 1.120 7 residues pruned to eliminate duplicates Z: 8 6.730 1.897 0.275 0.405 0.857 0.000 CB 1.356 15 residues pruned to eliminate duplicates Z: 6 7.236 1.736 0.596 0.705 0.800 0.600 CA 1.212 Z: 10 4.460 1.674 0.544 0.363 0.667 0.444 CB 1.000 10 residues pruned to eliminate duplicates Z: 6 3.009 1.803 0.623 0.345 0.600 0.400 CB 0.908 Z: 6 6.906 1.635 0.556 0.601 1.000 0.400 CB 1.102 6 residues pruned to eliminate duplicates Z: 6 3.866 1.570 0.307 0.232 1.000 0.600 N 1.151 Z: 7 4.129 1.377 0.360 0.338 1.000 0.667 CA 1.074 13 residues pruned to eliminate duplicates Z: 7 2.398 1.461 0.328 0.260 0.667 0.167 CB 0.996 4 residues pruned to eliminate duplicates Z: 15 9.737 1.487 0.467 0.691 0.929 0.571 CB 1.079 19 residues pruned to eliminate duplicates Z: 14 15.722 1.696 0.494 0.859 1.000 0.846 CB 1.267 14 residues pruned to eliminate duplicates Z: 24 13.807 1.613 0.441 0.606 0.957 0.652 CB 1.171 24 residues pruned to eliminate duplicates Z: 21 12.013 1.622 0.402 0.480 0.900 0.550 CB 1.340 21 residues pruned to eliminate duplicates Z: 17 13.690 1.701 0.562 0.569 0.938 0.750 CB 1.285 17 residues pruned to eliminate duplicates Z: 13 12.403 1.735 0.615 0.692 0.917 0.500 CB 1.168 13 residues pruned to eliminate duplicates Z: 11 12.444 1.573 0.728 0.690 0.900 0.500 N 1.351 11 residues pruned to eliminate duplicates Z: 13 12.774 1.709 0.569 0.712 1.000 0.500 CB 1.134 13 residues pruned to eliminate duplicates Z: 10 8.138 1.727 1.008 0.709 0.889 0.556 CB 0.728 10 residues pruned to eliminate duplicates Z: 12 11.152 1.729 0.898 0.639 0.818 0.545 CB 1.100 12 residues pruned to eliminate duplicates Z: 14 9.978 1.771 0.681 0.583 0.846 0.615 CB 1.014 14 residues pruned to eliminate duplicates Z: 29 10.490 1.760 0.503 0.437 0.821 0.393 CB 0.974 29 residues pruned to eliminate duplicates Z: 22 11.910 1.642 0.546 0.608 0.905 0.667 CB 1.021 22 residues pruned to eliminate duplicates Z: 13 13.464 1.715 0.971 0.634 1.000 0.500 CB 1.014 13 residues pruned to eliminate duplicates Z: 9 2.952 1.504 0.453 0.277 1.000 0.750 CB 0.615 9 residues pruned to eliminate duplicates Z: 26 11.006 1.729 0.330 0.448 0.880 0.600 CB 1.148 26 residues pruned to eliminate duplicates Z: 10 5.579 1.678 0.450 0.447 0.889 0.889 CB 0.908 10 residues pruned to eliminate duplicates Z: 18 8.071 1.765 0.419 0.375 0.882 0.706 CB 1.012 18 residues pruned to eliminate duplicates Z: 22 13.570 1.727 0.667 0.542 0.905 0.667 CB 1.091 22 residues pruned to eliminate duplicates Z: 8 7.764 1.650 0.317 0.580 1.000 0.429 CB 1.250 8 residues pruned to eliminate duplicates Z: 31 15.784 1.783 0.593 0.485 0.833 0.467 CB 1.236 32 residues pruned to eliminate duplicates Z: 9 6.054 1.828 0.418 0.566 0.875 0.500 CB 0.885 9 residues pruned to eliminate duplicates Z: 10 11.596 1.914 0.202 0.712 1.000 0.333 CB 1.387 10 residues pruned to eliminate duplicates Z: 9 7.630 1.586 0.815 0.579 0.750 0.250 N 1.159 8 residues pruned to eliminate duplicates Z: 8 10.341 1.742 0.478 0.667 1.000 0.714 N 1.301 8 residues pruned to eliminate duplicates Z: 7 7.072 1.730 0.217 0.685 1.000 0.833 N 1.157 7 residues pruned to eliminate duplicates Z: 14 10.823 1.782 0.308 0.608 0.846 0.615 N 1.373 14 residues pruned to eliminate duplicates Z: 12 13.067 1.834 0.616 0.593 0.909 0.636 CB 1.338 12 residues pruned to eliminate duplicates Z: 8 6.161 1.626 0.624 0.538 0.857 0.571 CB 0.991 6 residues pruned to eliminate duplicates Z: 11 5.696 1.605 0.471 0.758 0.900 0.800 CB 0.674 11 residues pruned to eliminate duplicates Z: 22 11.058 1.666 0.366 0.500 0.952 0.762 CB 1.114 22 residues pruned to eliminate duplicates Z: 6 2.538 1.540 0.259 0.540 0.800 0.800 CB 0.704 6 residues pruned to eliminate duplicates Z: 22 11.649 1.683 0.418 0.441 0.952 0.571 CB 1.190 22 residues pruned to eliminate duplicates Z: 16 7.238 1.665 0.264 0.417 0.933 0.667 CB 1.038 16 residues pruned to eliminate duplicates Z: 19 16.000 1.755 0.560 0.582 0.944 0.722 CB 1.348 18 residues pruned to eliminate duplicates Z: 14 14.759 1.694 0.391 0.854 1.000 0.923 CB 1.283 14 residues pruned to eliminate duplicates Z: 14 11.565 1.642 0.428 0.756 0.923 0.846 CB 1.180 14 residues pruned to eliminate duplicates Z: 13 7.798 1.642 0.564 0.558 0.833 0.500 CB 0.994 13 residues pruned to eliminate duplicates Z: 9 9.717 1.723 0.356 0.784 1.000 1.000 CB 1.144 9 residues pruned to eliminate duplicates Z: 16 10.000 1.720 0.394 0.519 0.867 0.733 CB 1.219 18 residues pruned to eliminate duplicates Z: 14 13.440 1.686 0.354 0.861 1.000 0.846 CB 1.200 14 residues pruned to eliminate duplicates Z: 10 4.123 1.690 0.608 0.284 0.889 0.444 CB 0.726 10 residues pruned to eliminate duplicates Z: 11 4.131 1.758 0.492 0.335 0.900 0.500 CB 0.663 11 residues pruned to eliminate duplicates Z: 21 10.058 1.717 0.356 0.489 0.900 0.500 CB 1.085 18 residues pruned to eliminate duplicates Z: 16 11.390 1.729 0.431 0.486 0.933 0.600 CA 1.292 16 residues pruned to eliminate duplicates Z: 30 15.975 1.740 0.516 0.515 0.931 0.759 CB 1.191 30 residues pruned to eliminate duplicates Z: 15 10.565 1.750 0.664 0.392 0.857 0.500 CB 1.268 15 residues pruned to eliminate duplicates Z: 23 8.485 1.811 0.226 0.366 0.773 0.500 CB 1.218 23 residues pruned to eliminate duplicates Z: 27 10.771 1.757 0.487 0.359 0.846 0.385 CB 1.113 27 residues pruned to eliminate duplicates Z: 14 8.050 1.695 0.660 0.371 0.769 0.615 CB 1.184 14 residues pruned to eliminate duplicates Z: 16 10.668 1.779 0.494 0.432 0.867 0.600 CB 1.283 16 residues pruned to eliminate duplicates Z: 27 10.843 1.722 0.561 0.404 0.731 0.500 CB 1.198 27 residues pruned to eliminate duplicates Z: 25 10.594 1.733 0.389 0.467 0.875 0.625 CB 1.062 25 residues pruned to eliminate duplicates Z: 15 6.022 1.716 0.345 0.390 0.714 0.214 CB 1.096 15 residues pruned to eliminate duplicates Z: 16 5.820 1.527 0.465 0.297 0.733 0.400 CB 1.149 16 residues pruned to eliminate duplicates Z: 23 10.521 1.730 0.518 0.430 0.818 0.455 CB 1.123 23 residues pruned to eliminate duplicates Z: 9 4.411 1.729 0.062 0.494 0.750 0.625 CB 1.139 9 residues pruned to eliminate duplicates Z: 14 7.235 1.777 0.194 0.478 0.846 0.385 CB 1.143 14 residues pruned to eliminate duplicates Z: 11 7.201 1.660 0.564 0.470 0.900 0.800 CB 1.005 11 residues pruned to eliminate duplicates Z: 9 5.531 1.673 0.476 0.493 0.875 0.625 CB 0.911 9 residues pruned to eliminate duplicates Z: 9 9.202 1.824 0.444 0.484 1.000 0.750 CB 1.256 9 residues pruned to eliminate duplicates Z: 33 12.090 1.764 0.489 0.397 0.844 0.438 CB 1.075 33 residues pruned to eliminate duplicates Z: 21 8.550 1.785 0.399 0.261 0.800 0.400 CB 1.258 21 residues pruned to eliminate duplicates Z: 18 10.110 1.834 0.472 0.433 0.824 0.588 CB 1.183 17 residues pruned to eliminate duplicates Z: 6 2.890 1.494 0.484 0.414 0.600 0.400 CA 1.063 6 residues pruned to eliminate duplicates Z: 17 9.436 1.883 0.622 0.375 0.875 0.562 CB 1.009 17 residues pruned to eliminate duplicates Z: 6 6.019 1.671 0.958 0.422 1.000 0.600 CA 0.892 6 residues pruned to eliminate duplicates Z: 19 11.788 1.887 0.514 0.416 0.944 0.667 CB 1.124 19 residues pruned to eliminate duplicates Z: 9 6.091 1.651 0.720 0.406 0.750 0.500 CB 1.117 9 residues pruned to eliminate duplicates Z: 15 9.292 1.851 0.657 0.394 0.857 0.643 CB 1.057 15 residues pruned to eliminate duplicates Z: 21 8.676 1.790 0.433 0.351 0.900 0.550 CB 0.987 21 residues pruned to eliminate duplicates Z: 11 4.418 1.574 0.397 0.473 0.800 0.500 CB 0.816 5 residues pruned to eliminate duplicates Z: 14 16.023 1.863 0.578 0.737 1.000 0.769 CB 1.222 9 residues pruned to eliminate duplicates Z: 7 7.979 1.801 0.641 0.671 0.667 0.500 CB 1.412 7 residues pruned to eliminate duplicates Z: 16 8.397 1.754 0.259 0.531 0.933 0.533 CB 1.021 16 residues pruned to eliminate duplicates Z: 19 10.156 1.805 0.188 0.522 0.944 0.667 CB 1.156 19 residues pruned to eliminate duplicates Z: 32 13.777 1.850 0.496 0.471 0.871 0.613 CB 1.057 14 residues pruned to eliminate duplicates Z: 12 14.958 1.923 0.393 0.873 1.000 0.818 CB 1.226 12 residues pruned to eliminate duplicates Z: 36 14.425 1.806 0.421 0.456 0.943 0.629 CB 1.054 44 residues pruned to eliminate duplicates Z: 11 11.441 2.005 0.181 0.822 1.000 0.700 CB 1.156 11 residues pruned to eliminate duplicates Z: 25 8.764 1.792 0.249 0.535 0.917 0.500 CB 0.843 17 residues pruned to eliminate duplicates Z: 10 13.470 1.993 0.560 0.887 1.000 1.000 CB 1.041 10 residues pruned to eliminate duplicates Z: 16 12.335 1.863 0.303 0.657 0.933 0.667 CB 1.215 16 residues pruned to eliminate duplicates Z: 22 8.631 1.840 0.154 0.434 0.857 0.524 CB 1.108 22 residues pruned to eliminate duplicates Z: 26 11.762 1.868 0.156 0.489 0.960 0.440 CB 1.147 26 residues pruned to eliminate duplicates Z: 29 12.849 1.891 0.406 0.412 0.929 0.500 CB 1.078 29 residues pruned to eliminate duplicates Z: 33 14.604 1.811 0.388 0.436 0.969 0.562 CB 1.133 33 residues pruned to eliminate duplicates Z: 29 13.922 1.866 0.465 0.440 1.000 0.571 CB 1.024 37 residues pruned to eliminate duplicates Z: 6 2.802 1.558 0.609 0.287 0.800 0.600 CB 0.793 6 residues pruned to eliminate duplicates Z: 30 15.357 1.870 0.505 0.496 0.966 0.586 CB 1.053 30 residues pruned to eliminate duplicates Z: 29 15.079 1.923 0.399 0.487 0.964 0.679 CB 1.112 31 residues pruned to eliminate duplicates 6 1.969 1.646 0.278 0.417 0.600 0.600 CB 0.760 ? Z: 6 3.718 1.369 0.987 0.420 0.600 0.200 N 1.107 6 residues pruned to eliminate duplicates Z: 13 6.772 1.837 0.357 0.399 0.917 0.583 CB 0.951 13 residues pruned to eliminate duplicates Z: 20 9.088 1.813 0.587 0.309 0.842 0.632 CB 1.064 20 residues pruned to eliminate duplicates Z: 17 9.633 1.781 0.614 0.587 0.812 0.688 CB 0.948 17 residues pruned to eliminate duplicates Z: 16 11.251 1.689 0.687 0.605 0.867 0.667 CB 1.065 16 residues pruned to eliminate duplicates Z: 16 13.549 1.729 0.700 0.634 0.933 0.667 CB 1.124 13 residues pruned to eliminate duplicates Z: 6 2.948 1.519 0.855 0.319 0.800 0.400 CA 0.714 6 residues pruned to eliminate duplicates Z: 13 15.952 1.883 0.769 0.645 0.917 0.750 CB 1.316 16 residues pruned to eliminate duplicates Z: 6 6.355 1.746 0.434 0.424 1.000 0.600 CA 1.228 Z: 9 9.013 1.639 0.699 0.843 0.750 0.500 CB 1.136 9 residues pruned to eliminate duplicates Z: 18 14.737 1.851 0.575 0.583 0.882 0.588 CB 1.284 27 residues pruned to eliminate duplicates Z: 11 8.387 1.538 0.415 0.806 0.900 0.500 CB 1.037 11 residues pruned to eliminate duplicates Z: 20 9.992 1.734 0.438 0.465 0.789 0.474 CB 1.206 20 residues pruned to eliminate duplicates Z: 22 12.701 1.656 0.667 0.514 0.905 0.381 CB 1.095 22 residues pruned to eliminate duplicates Z: 19 10.843 1.762 0.489 0.503 0.889 0.611 CB 1.093 19 residues pruned to eliminate duplicates Z: 24 17.068 1.704 0.660 0.594 0.913 0.565 CB 1.260 24 residues pruned to eliminate duplicates Z: 7 6.649 1.509 0.419 0.555 1.000 0.500 N 1.202 7 residues pruned to eliminate duplicates Z: 10 7.226 1.488 0.569 0.485 0.889 0.667 O 1.178 10 residues pruned to eliminate duplicates Z: 7 7.421 1.523 0.717 0.643 1.000 0.667 CB 1.013 5 residues pruned to eliminate duplicates Z: 9 6.028 1.293 0.307 0.774 1.000 1.000 CB 0.990 9 residues pruned to eliminate duplicates Z: 7 3.033 1.143 0.934 0.691 0.833 0.500 CB 0.564 7 residues pruned to eliminate duplicates Z: 14 9.014 1.792 0.435 0.446 1.000 0.615 CB 1.027 8 residues pruned to eliminate duplicates Z: 9 10.476 1.600 0.596 0.745 0.875 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 8 10.295 1.641 0.340 0.824 1.000 0.571 C 1.337 8 residues pruned to eliminate duplicates Z: 8 15.275 1.782 0.625 0.848 1.000 0.571 CA 1.479 9 residues pruned to eliminate duplicates Z: 8 11.344 1.708 0.245 0.869 1.000 1.000 O 1.472 8 residues pruned to eliminate duplicates Z: 14 9.130 1.725 0.613 0.468 0.923 0.538 CB 1.018 9 residues pruned to eliminate duplicates Z: 11 9.864 1.600 0.307 0.627 1.000 0.600 CA 1.323 11 residues pruned to eliminate duplicates Z: 18 7.802 1.620 0.513 0.334 0.765 0.471 CB 1.210 13 residues pruned to eliminate duplicates Z: 18 16.855 1.988 0.409 0.803 1.000 0.706 CB 1.120 18 residues pruned to eliminate duplicates Z: 8 9.925 1.896 0.083 0.893 0.857 0.857 N 1.530 7 residues pruned to eliminate duplicates Z: 17 19.860 1.937 0.714 0.843 1.000 0.875 CB 1.114 17 residues pruned to eliminate duplicates Z: 23 13.476 1.831 0.623 0.645 0.864 0.545 CB 0.977 22 residues pruned to eliminate duplicates Z: 9 16.924 1.912 0.594 0.852 1.000 0.750 CB 1.452 10 residues pruned to eliminate duplicates Z: 14 18.796 1.945 0.886 0.804 1.000 0.615 CB 1.090 14 residues pruned to eliminate duplicates Z: 12 14.574 1.936 0.457 0.751 0.909 0.727 CA 1.370 12 residues pruned to eliminate duplicates Z: 12 18.287 1.906 0.676 0.820 1.000 0.545 CB 1.308 13 residues pruned to eliminate duplicates Z: 10 15.959 1.993 0.529 0.809 0.889 0.667 CA 1.499 10 residues pruned to eliminate duplicates Z: 17 16.049 1.969 0.353 0.737 0.875 0.562 CB 1.391 17 residues pruned to eliminate duplicates Z: 19 14.016 1.963 0.421 0.662 0.889 0.500 CB 1.146 19 residues pruned to eliminate duplicates Z: 30 20.115 1.913 0.629 0.601 0.897 0.690 CB 1.215 30 residues pruned to eliminate duplicates Z: 28 17.366 1.879 0.524 0.558 0.852 0.444 CB 1.295 28 residues pruned to eliminate duplicates Z: 31 16.544 1.856 0.555 0.578 0.800 0.567 CB 1.213 31 residues pruned to eliminate duplicates Z: 29 13.726 1.818 0.397 0.541 0.893 0.500 CB 1.099 29 residues pruned to eliminate duplicates Z: 30 18.723 1.885 0.478 0.606 0.931 0.724 CB 1.211 30 residues pruned to eliminate duplicates Z: 23 18.092 1.931 0.559 0.583 1.000 0.727 CB 1.183 23 residues pruned to eliminate duplicates Z: 23 13.508 1.833 0.550 0.446 0.864 0.545 CB 1.241 23 residues pruned to eliminate duplicates Z: 9 9.581 2.017 0.379 0.599 1.000 0.750 CB 1.108 9 residues pruned to eliminate duplicates Z: 30 20.639 1.937 0.478 0.578 0.931 0.690 CB 1.334 30 residues pruned to eliminate duplicates Z: 14 4.653 1.709 0.546 0.129 0.846 0.462 CB 0.918 14 residues pruned to eliminate duplicates Z: 28 17.008 1.925 0.501 0.514 0.852 0.593 CB 1.312 28 residues pruned to eliminate duplicates Z: 23 15.257 1.927 0.593 0.469 0.864 0.636 CB 1.266 23 residues pruned to eliminate duplicates Z: 28 17.520 1.918 0.483 0.531 0.963 0.630 CB 1.194 28 residues pruned to eliminate duplicates Z: 14 7.618 1.764 0.329 0.362 0.923 0.308 CB 1.132 14 residues pruned to eliminate duplicates Z: 27 17.382 1.881 0.531 0.538 0.885 0.692 CB 1.288 27 residues pruned to eliminate duplicates Z: 29 22.033 1.891 0.621 0.614 0.929 0.750 CB 1.314 29 residues pruned to eliminate duplicates Z: 12 8.818 1.776 0.740 0.418 0.909 0.545 CB 1.031 11 residues pruned to eliminate duplicates 789 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 7 D: 12 E: 12 F: 8 G: 6 H: 8 I: 42 J: 7 K: 15 L: 61 M: 42 N: 16 O: 17 P: 15 Q: 37 R: 11 S: 22 T: 16 U: 17 V: 49 W: 81 X: 6 Y: 40 Z: 10 Z: 7 Z: 43 Z: 9 Z: 58 Z: 30 Z: 26 Z: 17 Z: 27 CC for partial structure against native data = 30.34 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.464, Connect. = 0.666 for dens.mod. cycle 1 = 0.300, Contrast = 0.537, Connect. = 0.691 for dens.mod. cycle 2 = 0.300, Contrast = 0.627, Connect. = 0.723 for dens.mod. cycle 3 = 0.300, Contrast = 0.640, Connect. = 0.727 for dens.mod. cycle 4 = 0.300, Contrast = 0.651, Connect. = 0.731 for dens.mod. cycle 5 = 0.300, Contrast = 0.656, Connect. = 0.733 for dens.mod. cycle 6 = 0.300, Contrast = 0.660, Connect. = 0.735 for dens.mod. cycle 7 = 0.300, Contrast = 0.662, Connect. = 0.737 for dens.mod. cycle 8 = 0.300, Contrast = 0.663, Connect. = 0.738 for dens.mod. cycle 9 = 0.300, Contrast = 0.664, Connect. = 0.739 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4120 peaks > 0.5 sigma used to seed fragment search Space for about 1615 unique residues taking solvent into account 1088 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 21.485 1.840 0.780 0.887 0.929 0.929 CB 1.362 B: 9 9.671 1.511 0.504 0.760 1.000 0.750 CB 1.195 C: 29 14.516 1.926 0.196 0.573 0.821 0.643 CB 1.352 D: 7 14.389 2.147 0.321 0.702 1.000 0.833 CB 1.723 7 residues pruned to eliminate duplicates E: 11 13.594 1.994 0.458 0.772 0.900 0.600 CB 1.292 F: 15 13.886 1.749 0.387 0.826 0.929 0.571 N 1.243 G: 10 8.190 1.671 1.229 0.562 0.778 0.667 CB 0.887 H: 19 16.310 1.982 0.600 0.563 0.944 0.611 CB 1.208 I: 14 20.781 2.054 0.516 0.851 0.923 0.846 CA 1.484 15 residues pruned to eliminate duplicates J: 15 22.132 1.930 0.825 0.859 1.000 0.857 CB 1.235 15 residues pruned to eliminate duplicates K: 14 11.851 1.823 0.213 0.887 0.923 0.846 CB 1.160 14 residues pruned to eliminate duplicates L: 14 19.281 2.029 0.712 0.794 0.846 0.615 CB 1.406 14 residues pruned to eliminate duplicates M: 7 9.664 1.743 0.519 0.752 1.000 0.667 N 1.190 N: 15 8.310 1.831 0.689 0.280 0.714 0.429 CB 1.289 O: 7 5.544 1.715 0.594 0.395 0.833 0.667 CB 1.109 P: 24 19.040 1.980 0.658 0.570 0.826 0.565 CB 1.368 16 residues pruned to eliminate duplicates Q: 12 15.364 1.853 0.971 0.399 0.909 0.364 CA 1.551 15 residues pruned to eliminate duplicates R: 7 11.494 1.726 0.508 0.799 1.000 0.833 CA 1.388 9 residues pruned to eliminate duplicates S: 13 15.397 1.764 0.353 0.869 1.000 0.750 CB 1.360 T: 14 21.026 2.026 0.508 0.817 1.000 0.769 CA 1.449 14 residues pruned to eliminate duplicates U: 15 18.631 1.956 0.624 0.818 0.857 0.429 CB 1.387 15 residues pruned to eliminate duplicates V: 6 13.947 1.876 0.721 0.808 1.000 0.800 CA 1.476 W: 10 13.900 1.826 0.512 0.840 1.000 0.778 CB 1.253 X: 6 8.667 2.133 0.032 0.648 1.000 0.800 CB 1.534 6 residues pruned to eliminate duplicates Y: 7 6.363 1.701 0.028 0.694 1.000 0.667 CB 1.245 7 residues pruned to eliminate duplicates Z: 18 10.797 1.812 0.679 0.391 0.882 0.471 CB 1.095 Z: 15 14.391 1.876 0.437 0.783 0.929 0.786 CB 1.198 Z: 15 10.109 1.778 0.072 0.858 1.000 1.000 CB 1.043 Z: 28 18.451 1.835 0.664 0.485 0.852 0.481 CB 1.386 17 residues pruned to eliminate duplicates Z: 18 28.391 1.879 0.943 0.838 0.941 0.765 CB 1.498 22 residues pruned to eliminate duplicates Z: 12 10.096 1.835 0.328 0.834 0.818 0.636 CB 1.145 12 residues pruned to eliminate duplicates Z: 15 11.881 1.675 0.697 0.502 1.000 0.643 CB 1.115 Z: 6 2.789 1.635 0.635 0.457 0.800 0.600 CB 0.609 Z: 12 11.947 1.850 0.321 0.813 1.000 0.727 CB 1.122 Z: 13 14.182 1.866 0.354 0.855 0.917 0.833 CB 1.304 11 residues pruned to eliminate duplicates Z: 10 15.686 1.702 0.797 0.779 1.000 0.778 N 1.336 Z: 7 5.237 1.716 0.545 0.348 0.833 0.500 N 1.141 Z: 7 2.505 1.445 0.575 0.215 0.833 0.667 CB 0.754 Z: 15 19.447 1.724 0.531 0.905 1.000 0.786 CB 1.402 13 residues pruned to eliminate duplicates Z: 9 9.886 1.826 0.262 0.834 1.000 0.750 CB 1.137 9 residues pruned to eliminate duplicates Z: 13 13.325 1.807 0.481 0.880 0.917 0.583 CB 1.136 Z: 13 9.891 2.031 0.565 0.339 0.917 0.500 CB 1.169 Z: 21 11.002 1.791 0.430 0.502 0.850 0.500 CB 1.128 21 residues pruned to eliminate duplicates Z: 8 7.003 1.479 0.774 0.667 0.857 0.571 N 1.008 Z: 14 19.739 1.853 0.763 0.875 0.923 0.615 CB 1.320 13 residues pruned to eliminate duplicates Z: 6 8.060 1.730 0.317 0.739 1.000 0.800 N 1.276 Z: 15 10.652 1.881 0.654 0.691 0.714 0.571 CB 1.076 Z: 15 17.804 1.856 0.482 0.777 1.000 0.786 CB 1.355 13 residues pruned to eliminate duplicates Z: 11 8.424 1.943 0.380 0.390 0.800 0.500 CB 1.395 Z: 12 6.740 1.579 0.327 0.399 0.818 0.545 CB 1.319 Z: 6 5.980 1.769 0.338 0.589 0.800 0.400 CB 1.297 Z: 12 7.449 1.696 0.719 0.526 0.727 0.545 CB 1.032 Z: 11 9.723 1.973 0.416 0.729 0.800 0.500 CB 1.120 11 residues pruned to eliminate duplicates Z: 16 23.031 1.922 0.795 0.841 0.933 0.667 CB 1.377 16 residues pruned to eliminate duplicates Z: 14 12.350 1.830 0.526 0.852 0.923 0.923 CB 0.983 14 residues pruned to eliminate duplicates Z: 10 12.202 1.768 0.883 0.753 1.000 0.778 CB 0.975 10 residues pruned to eliminate duplicates Z: 12 19.256 2.039 0.709 0.763 1.000 0.727 CB 1.319 15 residues pruned to eliminate duplicates Z: 7 12.992 2.023 0.749 0.551 1.000 0.667 CA 1.426 Z: 8 14.354 1.768 0.614 0.848 1.000 0.857 CB 1.410 Z: 12 8.220 1.622 0.300 0.856 1.000 0.909 CB 0.867 11 residues pruned to eliminate duplicates Z: 15 14.185 1.854 0.546 0.782 0.929 0.643 CB 1.111 15 residues pruned to eliminate duplicates Z: 7 12.258 2.074 0.079 0.699 1.000 0.833 CB 1.867 7 residues pruned to eliminate duplicates Z: 14 10.170 1.790 0.904 0.369 0.692 0.462 CB 1.376 14 residues pruned to eliminate duplicates Z: 18 4.718 1.674 -0.099 0.411 0.824 0.471 CB 1.012 Z: 18 8.412 1.825 0.622 0.343 0.765 0.471 CB 1.070 Z: 14 12.095 1.657 0.607 0.870 0.923 0.538 CB 0.996 Z: 12 11.458 1.944 0.564 0.464 0.909 0.545 CB 1.297 Z: 10 8.788 1.665 0.390 0.771 1.000 0.778 CB 0.996 10 residues pruned to eliminate duplicates Z: 14 16.542 1.769 0.837 0.857 0.923 0.692 CB 1.127 14 residues pruned to eliminate duplicates Z: 6 8.823 1.585 1.149 0.735 1.000 0.600 N 0.938 Z: 8 5.727 1.864 0.492 0.465 0.714 0.571 CB 1.130 Z: 13 12.002 1.752 0.342 0.837 1.000 0.917 CB 1.103 13 residues pruned to eliminate duplicates Z: 12 13.355 1.618 0.511 0.901 0.909 0.727 CB 1.294 12 residues pruned to eliminate duplicates Z: 21 18.502 1.934 0.469 0.629 0.950 0.650 CB 1.358 21 residues pruned to eliminate duplicates Z: 13 5.867 1.943 0.011 0.354 0.917 0.417 CB 1.102 13 residues pruned to eliminate duplicates Z: 14 9.255 1.804 0.327 0.465 1.000 0.769 CB 1.111 Z: 20 12.803 1.829 0.807 0.460 0.789 0.579 CB 1.172 6 residues pruned to eliminate duplicates Z: 7 11.070 1.859 0.225 0.752 1.000 0.833 CB 1.586 Z: 9 3.578 1.713 0.376 0.419 0.625 0.375 CB 0.934 Z: 15 20.275 1.728 0.731 0.901 1.000 0.929 CB 1.293 15 residues pruned to eliminate duplicates Z: 12 13.967 1.872 0.410 0.867 1.000 0.818 CB 1.167 11 residues pruned to eliminate duplicates Z: 9 15.594 1.889 0.559 0.877 1.000 0.875 CB 1.359 15 residues pruned to eliminate duplicates Z: 12 10.693 1.720 0.951 0.806 0.909 0.455 CB 0.809 12 residues pruned to eliminate duplicates Z: 20 16.246 1.874 0.840 0.540 0.842 0.632 CB 1.234 21 residues pruned to eliminate duplicates Z: 17 21.889 1.780 1.056 0.809 0.938 0.625 CB 1.219 17 residues pruned to eliminate duplicates Z: 8 7.354 1.723 0.212 0.844 1.000 0.571 CB 0.991 8 residues pruned to eliminate duplicates Z: 15 5.921 1.757 0.480 0.368 0.786 0.429 CB 0.893 14 residues pruned to eliminate duplicates Z: 15 18.376 1.718 0.504 0.908 1.000 0.786 CB 1.350 15 residues pruned to eliminate duplicates Z: 13 15.161 1.857 0.456 0.731 1.000 0.833 CB 1.315 13 residues pruned to eliminate duplicates Z: 10 10.990 1.970 0.668 0.265 0.889 0.556 N 1.640 Z: 6 6.334 1.296 0.883 0.792 1.000 0.400 CA 0.898 Z: 8 8.535 1.581 0.162 0.860 1.000 0.857 C 1.291 8 residues pruned to eliminate duplicates Z: 6 8.642 1.873 0.654 0.458 1.000 0.400 CB 1.303 Z: 14 19.003 1.726 0.668 0.888 1.000 0.615 CB 1.320 14 residues pruned to eliminate duplicates Z: 12 13.424 1.833 0.437 0.698 0.909 0.636 CB 1.411 Z: 8 6.715 1.934 0.568 0.308 0.714 0.714 CB 1.450 8 residues pruned to eliminate duplicates Z: 8 4.901 1.693 0.200 0.487 0.857 0.714 CB 1.078 Z: 8 8.556 1.965 0.187 0.626 0.857 0.857 CB 1.437 15 residues pruned to eliminate duplicates Z: 6 5.843 1.814 0.381 0.794 0.800 0.800 CB 1.007 Z: 6 10.042 2.026 0.678 0.596 0.800 0.600 CB 1.506 6 residues pruned to eliminate duplicates Z: 14 16.389 1.700 0.703 0.859 0.923 0.692 CB 1.252 14 residues pruned to eliminate duplicates Z: 21 13.603 1.900 0.602 0.411 0.850 0.450 CB 1.290 Z: 10 6.359 1.693 0.198 0.407 0.889 0.667 CA 1.297 12 residues pruned to eliminate duplicates Z: 13 13.643 1.837 0.532 0.838 0.917 0.750 CB 1.141 13 residues pruned to eliminate duplicates Z: 6 6.334 1.704 0.510 0.477 0.800 0.600 CB 1.409 Z: 11 12.469 1.770 0.544 0.849 0.800 0.600 CB 1.337 11 residues pruned to eliminate duplicates Z: 8 13.202 1.686 0.590 0.806 1.000 0.857 N 1.424 7 residues pruned to eliminate duplicates Z: 8 6.542 1.478 0.417 0.674 1.000 0.571 N 1.006 8 residues pruned to eliminate duplicates Z: 24 16.838 1.941 0.528 0.531 0.913 0.696 CB 1.257 16 residues pruned to eliminate duplicates Z: 10 12.723 1.817 0.438 0.844 1.000 0.778 CB 1.207 10 residues pruned to eliminate duplicates Z: 7 8.984 1.688 0.904 0.701 0.833 0.833 CB 1.140 Z: 10 12.088 1.880 0.881 0.819 1.000 0.889 CB 0.864 10 residues pruned to eliminate duplicates Z: 11 10.483 2.115 0.307 0.457 0.900 0.500 CB 1.392 11 residues pruned to eliminate duplicates 6 1.923 1.724 -0.012 0.400 0.600 0.400 CB 0.935 ? Z: 11 14.955 1.754 0.505 0.791 1.000 0.900 CB 1.389 13 residues pruned to eliminate duplicates Z: 15 12.758 1.703 0.383 0.865 1.000 0.929 CB 1.061 Z: 8 3.671 1.670 0.438 0.561 0.857 0.571 CB 0.635 8 residues pruned to eliminate duplicates 8 1.971 1.718 -0.122 0.210 0.571 0.429 CB 1.218 ? Z: 7 7.914 1.843 0.619 0.617 0.833 0.333 CA 1.164 7 residues pruned to eliminate duplicates Z: 7 15.245 1.864 0.507 0.883 1.000 0.667 CA 1.603 9 residues pruned to eliminate duplicates Z: 10 14.248 1.767 0.885 0.824 0.889 0.667 CB 1.212 10 residues pruned to eliminate duplicates Z: 13 7.466 1.745 0.751 0.398 0.750 0.500 CB 1.047 Z: 8 10.014 1.831 0.894 0.445 1.000 0.571 CB 1.154 8 residues pruned to eliminate duplicates Z: 6 4.090 1.611 0.588 0.527 0.600 0.600 CB 1.160 Z: 13 11.644 1.992 0.299 0.571 0.917 0.917 CB 1.324 18 residues pruned to eliminate duplicates Z: 7 10.330 1.674 0.613 0.826 0.833 0.833 CA 1.413 7 residues pruned to eliminate duplicates Z: 10 4.368 1.601 0.397 0.456 0.667 0.444 CB 1.021 10 residues pruned to eliminate duplicates Z: 12 14.554 1.853 0.946 0.887 1.000 0.909 CB 0.877 Z: 6 2.574 1.789 -0.296 0.466 0.600 0.400 CB 1.578 Z: 9 6.600 1.680 0.475 0.287 1.000 0.500 CB 1.196 7 residues pruned to eliminate duplicates Z: 16 18.492 1.824 0.595 0.881 1.000 0.733 CB 1.188 16 residues pruned to eliminate duplicates Z: 26 21.692 1.939 0.629 0.545 0.880 0.560 CB 1.494 26 residues pruned to eliminate duplicates Z: 9 12.880 1.773 0.513 0.748 1.000 0.625 CA 1.361 9 residues pruned to eliminate duplicates Z: 14 14.526 1.852 0.633 0.773 0.923 0.615 CB 1.134 14 residues pruned to eliminate duplicates Z: 10 5.977 1.650 0.431 0.629 0.889 0.778 CB 0.841 10 residues pruned to eliminate duplicates Z: 9 6.973 1.702 0.577 0.620 0.875 0.750 CB 0.937 9 residues pruned to eliminate duplicates Z: 10 3.965 1.598 0.212 0.402 0.667 0.444 CB 1.135 7 residues pruned to eliminate duplicates Z: 17 14.074 1.696 0.636 0.895 0.875 0.562 CB 1.039 13 residues pruned to eliminate duplicates 6 1.630 1.812 -0.021 0.514 0.600 0.400 CB 0.675 ? Z: 20 12.036 1.852 0.522 0.445 0.895 0.684 CB 1.159 20 residues pruned to eliminate duplicates Z: 8 11.157 1.760 0.781 0.862 0.857 0.857 CB 1.153 8 residues pruned to eliminate duplicates Z: 8 5.834 1.657 0.451 0.675 0.714 0.571 CB 1.093 8 residues pruned to eliminate duplicates Z: 14 18.952 1.820 0.684 0.823 0.923 0.846 CB 1.405 14 residues pruned to eliminate duplicates Z: 14 6.314 1.738 0.389 0.335 0.846 0.538 CB 1.026 Z: 8 15.791 1.906 0.540 0.824 1.000 0.571 N 1.536 8 residues pruned to eliminate duplicates Z: 7 4.530 1.801 0.073 0.438 0.833 0.500 CB 1.225 Z: 7 6.978 1.667 0.352 0.631 1.000 0.333 CA 1.117 7 residues pruned to eliminate duplicates Z: 12 13.635 1.872 0.754 0.624 0.818 0.727 CB 1.362 Z: 8 5.697 1.588 0.307 0.456 0.857 0.714 CA 1.266 Z: 9 5.927 1.789 0.205 0.328 0.875 0.750 CB 1.341 9 residues pruned to eliminate duplicates Z: 14 6.078 1.949 0.241 0.242 0.769 0.462 CB 1.222 14 residues pruned to eliminate duplicates Z: 26 18.147 1.805 0.770 0.503 0.840 0.560 CB 1.349 25 residues pruned to eliminate duplicates Z: 7 5.125 1.728 0.328 0.548 0.667 0.500 N 1.306 9 residues pruned to eliminate duplicates Z: 19 15.244 1.894 0.559 0.630 0.889 0.500 CB 1.212 19 residues pruned to eliminate duplicates Z: 13 12.208 1.678 0.517 0.819 1.000 0.917 CB 1.050 13 residues pruned to eliminate duplicates Z: 10 14.241 1.836 0.614 0.756 0.889 0.556 CB 1.435 10 residues pruned to eliminate duplicates Z: 24 15.127 1.759 0.606 0.600 0.913 0.739 CB 1.111 14 residues pruned to eliminate duplicates Z: 13 16.901 1.782 0.510 0.773 1.000 0.917 N 1.425 13 residues pruned to eliminate duplicates Z: 6 4.828 1.743 0.106 0.680 0.800 0.800 CB 1.186 Z: 13 11.071 1.653 0.497 0.859 0.833 0.667 CB 1.140 Z: 10 8.452 1.780 0.335 0.524 0.889 0.778 CB 1.303 10 residues pruned to eliminate duplicates Z: 11 10.798 1.661 0.717 0.860 1.000 0.800 CB 0.880 11 residues pruned to eliminate duplicates Z: 6 8.483 1.959 0.367 0.686 0.800 0.600 CB 1.493 6 residues pruned to eliminate duplicates Z: 15 16.038 1.898 0.439 0.826 1.000 0.857 CB 1.184 15 residues pruned to eliminate duplicates Z: 12 4.408 1.529 0.510 0.407 0.818 0.455 CB 0.775 12 residues pruned to eliminate duplicates Z: 12 15.611 1.839 0.390 0.847 1.000 0.818 CA 1.366 11 residues pruned to eliminate duplicates Z: 24 14.620 1.843 0.601 0.467 0.826 0.565 CB 1.293 15 residues pruned to eliminate duplicates Z: 7 6.750 1.737 0.412 0.712 0.833 0.833 CB 1.112 Z: 6 2.955 1.556 0.282 0.615 0.800 0.800 CB 0.743 6 residues pruned to eliminate duplicates Z: 10 10.535 1.809 0.806 0.602 0.778 0.444 CB 1.254 6 residues pruned to eliminate duplicates Z: 10 9.136 1.903 0.570 0.503 0.778 0.556 CB 1.307 8 residues pruned to eliminate duplicates Z: 8 3.124 1.402 0.233 0.364 0.714 0.286 O 1.107 Z: 10 11.240 1.737 0.370 0.832 0.889 0.778 CB 1.330 10 residues pruned to eliminate duplicates Z: 6 3.562 1.635 0.335 0.318 0.800 0.600 CB 1.115 Z: 8 11.876 1.754 0.529 0.813 1.000 0.857 CB 1.274 8 residues pruned to eliminate duplicates Z: 16 7.564 1.755 0.254 0.403 0.867 0.600 CB 1.134 14 residues pruned to eliminate duplicates Z: 12 10.624 1.847 0.281 0.819 0.818 0.545 CB 1.254 12 residues pruned to eliminate duplicates Z: 24 12.866 1.855 0.444 0.579 0.870 0.696 CB 1.067 24 residues pruned to eliminate duplicates Z: 10 3.131 1.794 0.074 0.201 0.667 0.222 CB 1.160 Z: 16 13.493 1.850 0.175 0.773 1.000 0.733 CB 1.258 16 residues pruned to eliminate duplicates Z: 16 7.754 1.813 0.073 0.496 0.733 0.333 CB 1.409 16 residues pruned to eliminate duplicates Z: 12 11.450 1.785 0.672 0.538 0.909 0.727 CB 1.226 13 residues pruned to eliminate duplicates Z: 8 2.375 1.468 0.010 0.205 1.000 0.286 CB 0.859 Z: 16 9.377 1.652 0.668 0.357 0.867 0.333 N 1.184 16 residues pruned to eliminate duplicates Z: 13 17.873 1.912 0.381 0.802 1.000 0.833 CB 1.500 10 residues pruned to eliminate duplicates Z: 6 4.095 1.615 0.433 0.692 1.000 0.600 CB 0.663 Z: 7 5.613 1.910 0.469 0.397 0.667 0.667 CA 1.366 7 residues pruned to eliminate duplicates Z: 14 16.150 1.706 0.663 0.911 1.000 0.615 CB 1.119 14 residues pruned to eliminate duplicates Z: 10 12.482 1.893 1.115 0.663 0.889 0.556 CB 1.006 10 residues pruned to eliminate duplicates Z: 15 13.493 1.634 0.928 0.426 0.929 0.571 CB 1.330 14 residues pruned to eliminate duplicates Z: 8 6.618 1.767 0.512 0.365 0.857 0.571 CB 1.263 Z: 12 7.177 1.812 0.243 0.402 0.818 0.636 CB 1.303 13 residues pruned to eliminate duplicates Z: 14 8.621 1.642 0.640 0.833 0.846 0.615 CB 0.787 14 residues pruned to eliminate duplicates Z: 12 10.515 1.832 0.619 0.771 1.000 0.545 CB 0.841 12 residues pruned to eliminate duplicates Z: 12 11.676 1.649 0.486 0.830 0.909 0.727 CB 1.188 13 residues pruned to eliminate duplicates Z: 13 14.937 1.671 0.637 0.751 1.000 0.583 CB 1.260 15 residues pruned to eliminate duplicates Z: 19 4.554 1.670 0.266 0.233 0.611 0.222 CB 1.133 25 residues pruned to eliminate duplicates Z: 14 19.375 1.795 0.820 0.896 1.000 0.846 CB 1.178 13 residues pruned to eliminate duplicates Z: 11 15.290 1.862 0.767 0.869 1.000 0.700 CB 1.073 11 residues pruned to eliminate duplicates Z: 9 7.297 1.607 0.364 0.627 1.000 0.625 CB 1.045 Z: 36 17.251 1.906 0.412 0.517 0.829 0.629 CB 1.285 36 residues pruned to eliminate duplicates Z: 9 5.396 1.604 0.344 0.357 0.875 0.375 N 1.181 Z: 23 10.761 1.764 0.546 0.424 0.773 0.636 CB 1.178 21 residues pruned to eliminate duplicates Z: 6 4.823 1.700 0.276 0.544 0.800 0.600 N 1.191 7 residues pruned to eliminate duplicates Z: 12 9.373 1.497 0.486 0.838 0.818 0.455 O 1.160 12 residues pruned to eliminate duplicates Z: 6 2.687 1.610 0.093 0.438 1.000 0.600 CB 0.728 Z: 17 9.029 1.548 0.493 0.453 0.938 0.438 CB 1.093 Z: 12 7.187 1.822 0.505 0.351 0.636 0.455 CB 1.459 12 residues pruned to eliminate duplicates Z: 7 4.007 1.421 0.274 0.440 0.833 0.333 N 1.154 Z: 14 12.384 1.885 0.530 0.514 0.846 0.615 CB 1.388 11 residues pruned to eliminate duplicates Z: 33 21.774 1.950 0.409 0.600 0.938 0.688 CB 1.358 47 residues pruned to eliminate duplicates Z: 13 6.113 1.802 0.192 0.549 0.917 0.583 CB 0.855 Z: 15 11.507 1.527 0.717 0.854 0.929 0.500 CB 0.933 Z: 19 16.725 1.835 0.757 0.524 0.833 0.556 CB 1.433 21 residues pruned to eliminate duplicates Z: 11 12.660 1.701 0.570 0.860 0.900 0.800 CB 1.224 11 residues pruned to eliminate duplicates Z: 9 5.551 1.565 0.494 0.390 0.875 0.250 CB 1.078 Z: 8 13.633 1.805 0.647 0.730 1.000 0.571 CA 1.410 16 residues pruned to eliminate duplicates Z: 23 11.204 1.710 0.711 0.554 0.818 0.591 CB 0.947 14 residues pruned to eliminate duplicates Z: 10 14.895 1.699 0.564 0.830 1.000 0.778 N 1.404 10 residues pruned to eliminate duplicates Z: 10 3.805 1.720 0.168 0.531 0.889 0.444 CB 0.688 Z: 7 8.874 1.971 0.451 0.561 0.833 0.667 N 1.432 7 residues pruned to eliminate duplicates Z: 9 9.298 1.605 0.476 0.792 0.875 0.500 O 1.228 Z: 9 3.339 1.489 0.670 0.510 0.750 0.500 CB 0.627 Z: 7 2.766 1.746 -0.163 0.387 0.833 0.500 CB 1.045 7 residues pruned to eliminate duplicates Z: 20 7.055 1.697 0.415 0.296 0.947 0.579 CB 0.894 20 residues pruned to eliminate duplicates Z: 8 8.509 1.807 0.611 0.692 1.000 0.714 CB 0.927 Z: 6 4.006 1.588 0.347 0.459 1.000 0.800 CB 0.874 6 residues pruned to eliminate duplicates Z: 9 5.348 1.544 0.302 0.734 1.000 0.750 CB 0.762 9 residues pruned to eliminate duplicates Z: 10 4.580 1.604 0.466 0.315 0.667 0.222 CB 1.196 7 residues pruned to eliminate duplicates Z: 15 17.481 1.729 0.524 0.878 1.000 0.786 CA 1.287 15 residues pruned to eliminate duplicates Z: 13 15.031 1.721 1.027 0.813 0.917 0.750 CB 1.033 13 residues pruned to eliminate duplicates Z: 11 8.126 1.866 0.577 0.526 0.800 0.700 CB 1.064 11 residues pruned to eliminate duplicates Z: 7 9.727 2.095 0.376 0.699 0.833 0.833 CB 1.379 Z: 14 11.471 1.742 0.298 0.835 0.923 0.923 CB 1.142 14 residues pruned to eliminate duplicates Z: 9 3.445 1.686 0.335 0.336 0.875 0.375 CB 0.740 9 residues pruned to eliminate duplicates Z: 7 6.410 1.634 0.965 0.428 0.667 0.333 N 1.317 Z: 42 17.978 1.845 0.464 0.462 0.854 0.585 CB 1.266 45 residues pruned to eliminate duplicates Z: 18 10.149 1.840 0.268 0.360 0.941 0.412 CB 1.304 10 residues pruned to eliminate duplicates Z: 14 13.552 1.677 0.643 0.887 0.923 0.615 CB 1.066 14 residues pruned to eliminate duplicates Z: 9 6.549 1.685 0.818 0.583 0.875 0.500 CB 0.797 Z: 7 4.129 1.668 0.860 0.261 0.667 0.333 CB 1.070 Z: 16 16.561 1.823 0.484 0.747 1.000 0.267 CB 1.267 16 residues pruned to eliminate duplicates Z: 11 3.797 1.451 0.405 0.426 0.800 0.600 N 0.795 Z: 6 3.884 1.791 0.551 0.763 1.000 0.800 CB 0.495 Z: 19 15.606 1.930 0.415 0.486 0.944 0.722 CB 1.446 20 residues pruned to eliminate duplicates Z: 12 5.812 1.617 -0.031 0.425 0.909 0.545 N 1.329 12 residues pruned to eliminate duplicates Z: 37 18.443 1.893 0.481 0.530 0.861 0.639 CB 1.236 36 residues pruned to eliminate duplicates Z: 11 9.764 1.572 0.669 0.561 0.900 0.600 CB 1.233 Z: 9 20.045 1.782 0.911 0.811 1.000 0.500 CA 1.587 22 residues pruned to eliminate duplicates Z: 13 15.015 1.712 0.971 0.862 1.000 0.750 CB 0.943 12 residues pruned to eliminate duplicates Z: 13 14.654 1.860 0.273 0.898 1.000 0.917 CB 1.278 13 residues pruned to eliminate duplicates Z: 15 7.674 1.739 0.340 0.750 0.857 0.571 CB 0.821 15 residues pruned to eliminate duplicates Z: 9 11.524 1.735 0.522 0.910 1.000 0.875 CB 1.095 Z: 19 11.396 1.827 0.699 0.388 0.722 0.556 CB 1.349 19 residues pruned to eliminate duplicates 6 1.805 1.283 -0.124 0.479 1.000 0.600 CB 0.733 ? Z: 35 16.216 1.766 0.516 0.512 0.853 0.441 CB 1.204 39 residues pruned to eliminate duplicates Z: 8 13.462 1.840 0.273 0.918 1.000 1.000 CB 1.532 8 residues pruned to eliminate duplicates Z: 9 3.723 1.321 0.453 0.412 0.750 0.375 CB 1.003 Z: 10 11.887 1.638 0.570 0.814 1.000 0.778 CB 1.173 10 residues pruned to eliminate duplicates Z: 14 12.356 1.704 0.624 0.735 0.923 0.769 CB 1.086 13 residues pruned to eliminate duplicates Z: 7 5.423 1.742 0.080 0.505 0.833 0.500 CB 1.406 6 residues pruned to eliminate duplicates Z: 32 18.207 1.908 0.308 0.560 0.935 0.516 CB 1.321 32 residues pruned to eliminate duplicates Z: 10 7.256 1.889 0.202 0.502 1.000 0.667 CB 1.063 11 residues pruned to eliminate duplicates Z: 16 11.545 1.745 0.434 0.817 0.933 0.867 CB 0.969 16 residues pruned to eliminate duplicates Z: 12 6.350 1.650 0.589 0.431 0.818 0.455 CB 0.959 8 residues pruned to eliminate duplicates Z: 14 4.384 1.631 0.100 0.314 0.769 0.385 CB 1.082 14 residues pruned to eliminate duplicates Z: 9 12.103 1.678 0.900 0.748 0.875 0.875 CB 1.229 9 residues pruned to eliminate duplicates Z: 8 4.407 1.582 0.107 0.676 0.857 0.714 CB 0.943 8 residues pruned to eliminate duplicates Z: 16 17.936 1.944 0.691 0.831 1.000 0.867 CB 1.059 16 residues pruned to eliminate duplicates Z: 6 3.173 1.756 -0.045 0.579 0.800 0.600 N 0.980 Z: 10 3.988 1.589 -0.027 0.401 1.000 0.556 CB 0.954 10 residues pruned to eliminate duplicates Z: 15 19.041 1.947 0.575 0.827 1.000 0.786 CB 1.250 15 residues pruned to eliminate duplicates Z: 11 16.906 1.773 0.755 0.705 1.000 0.900 CB 1.426 10 residues pruned to eliminate duplicates Z: 9 9.678 1.658 0.620 0.682 0.875 0.625 CB 1.233 8 residues pruned to eliminate duplicates Z: 8 4.882 1.846 0.142 0.478 1.000 0.857 CB 0.895 8 residues pruned to eliminate duplicates Z: 12 15.061 1.853 0.515 0.645 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 17 9.503 1.779 0.283 0.567 0.750 0.500 CB 1.301 17 residues pruned to eliminate duplicates Z: 12 15.891 1.835 0.713 0.855 1.000 0.636 CB 1.124 12 residues pruned to eliminate duplicates Z: 9 6.763 1.620 0.538 0.482 0.875 0.750 CB 1.117 9 residues pruned to eliminate duplicates Z: 12 11.288 1.720 0.379 0.900 1.000 0.909 CB 1.025 Z: 11 8.379 1.684 0.303 0.651 0.900 0.600 CB 1.166 11 residues pruned to eliminate duplicates Z: 10 6.489 1.625 0.397 0.857 0.889 0.667 CB 0.790 10 residues pruned to eliminate duplicates Z: 12 13.186 1.791 0.926 0.865 1.000 0.364 CB 0.845 12 residues pruned to eliminate duplicates Z: 7 2.227 1.597 -0.249 0.400 0.833 0.500 CB 1.011 Z: 9 5.529 1.679 0.550 0.553 0.750 0.375 CB 0.951 9 residues pruned to eliminate duplicates Z: 6 12.787 2.030 0.896 0.619 1.000 0.800 N 1.328 6 residues pruned to eliminate duplicates Z: 17 16.070 1.875 0.503 0.815 1.000 0.750 CB 1.084 17 residues pruned to eliminate duplicates Z: 13 16.513 1.875 0.450 0.797 1.000 0.833 CB 1.353 13 residues pruned to eliminate duplicates Z: 10 7.793 1.647 0.458 0.719 0.889 0.667 CB 0.998 10 residues pruned to eliminate duplicates Z: 11 8.680 1.677 0.144 0.777 1.000 0.900 CB 1.120 11 residues pruned to eliminate duplicates Z: 8 6.004 1.701 -0.037 0.580 1.000 1.000 CB 1.282 Z: 15 15.619 1.888 0.466 0.798 0.929 0.857 CB 1.251 15 residues pruned to eliminate duplicates Z: 6 4.692 1.689 0.068 0.481 1.000 0.400 CB 1.186 Z: 9 7.730 1.610 0.176 0.827 1.000 0.875 CB 1.088 9 residues pruned to eliminate duplicates Z: 6 2.589 1.545 -0.090 0.497 0.800 0.600 N 1.032 Z: 8 2.639 1.576 0.200 0.222 0.714 0.286 CB 1.023 Z: 9 4.533 1.582 0.241 0.560 0.750 0.625 CB 1.027 Z: 13 11.033 1.666 0.853 0.743 0.917 0.667 CB 0.905 24 residues pruned to eliminate duplicates Z: 14 17.112 1.716 0.721 0.781 1.000 0.692 CB 1.255 13 residues pruned to eliminate duplicates Z: 6 3.362 1.532 0.809 0.457 0.800 0.600 CB 0.709 6 1.912 1.829 -0.158 0.278 0.800 0.400 CB 0.891 ? Z: 9 2.492 1.505 0.163 0.191 0.625 0.375 O 1.166 14 residues pruned to eliminate duplicates Z: 11 6.309 1.464 0.538 0.770 0.900 0.400 CB 0.775 8 residues pruned to eliminate duplicates Z: 6 6.029 1.611 0.199 0.583 1.000 0.600 CA 1.289 Z: 14 18.171 1.806 0.778 0.903 1.000 0.923 CB 1.119 12 residues pruned to eliminate duplicates Z: 14 10.209 1.858 0.280 0.493 1.000 0.615 CB 1.199 14 residues pruned to eliminate duplicates Z: 11 4.966 1.610 0.539 0.395 0.700 0.500 CB 1.012 7 residues pruned to eliminate duplicates Z: 12 8.565 1.674 0.882 0.439 0.818 0.455 CB 1.067 Z: 19 11.079 1.825 0.475 0.358 0.833 0.667 CB 1.357 19 residues pruned to eliminate duplicates Z: 6 8.955 1.700 0.279 0.867 1.000 1.000 N 1.348 3 residues pruned to eliminate duplicates Z: 7 3.787 1.308 0.603 0.279 0.833 0.667 N 1.136 Z: 9 13.557 1.590 0.780 0.874 1.000 0.875 CB 1.232 9 residues pruned to eliminate duplicates 6 1.744 1.559 0.227 0.260 0.400 0.200 CA 1.341 ? Z: 12 6.887 1.696 0.629 0.487 0.636 0.636 CB 1.196 8 residues pruned to eliminate duplicates Z: 10 5.382 1.682 0.649 0.463 0.778 0.444 CB 0.864 7 residues pruned to eliminate duplicates Z: 8 2.851 1.450 0.199 0.415 0.714 0.286 CB 0.949 Z: 9 6.350 1.552 0.588 0.512 1.000 0.625 CB 0.900 9 residues pruned to eliminate duplicates Z: 12 13.108 1.706 0.632 0.869 1.000 0.727 CB 1.037 13 residues pruned to eliminate duplicates Z: 14 6.620 1.767 0.178 0.414 0.846 0.538 CB 1.141 14 residues pruned to eliminate duplicates Z: 10 15.390 1.828 0.744 0.910 1.000 0.889 CB 1.141 10 residues pruned to eliminate duplicates Z: 11 10.369 1.675 0.302 0.915 1.000 0.900 CB 1.062 11 residues pruned to eliminate duplicates Z: 13 6.777 1.774 0.274 0.331 0.917 0.417 CB 1.136 13 residues pruned to eliminate duplicates Z: 11 6.478 1.906 0.043 0.744 0.900 0.800 CB 0.920 11 residues pruned to eliminate duplicates Z: 8 3.390 1.537 0.356 0.246 0.714 0.571 N 1.153 Z: 11 12.584 1.719 0.538 0.884 0.900 0.900 CB 1.208 11 residues pruned to eliminate duplicates Z: 12 10.192 1.622 0.631 0.780 0.818 0.545 CB 1.109 12 residues pruned to eliminate duplicates Z: 6 2.568 1.284 0.294 0.553 0.800 0.600 N 0.821 Z: 9 8.364 1.590 0.567 0.680 1.000 0.500 CB 1.006 5 residues pruned to eliminate duplicates 6 1.390 1.469 0.693 0.288 0.600 0.400 CB 0.528 ? Z: 15 5.158 1.652 0.054 0.475 0.857 0.786 CB 0.948 15 residues pruned to eliminate duplicates Z: 10 7.121 1.487 0.824 0.712 0.667 0.556 CB 1.083 Z: 7 6.587 1.674 0.391 0.734 1.000 1.000 N 0.936 7 residues pruned to eliminate duplicates Z: 14 9.773 1.722 0.549 0.452 0.923 0.692 CB 1.157 14 residues pruned to eliminate duplicates Z: 13 7.794 1.520 0.986 0.823 1.000 0.583 CB 0.564 13 residues pruned to eliminate duplicates Z: 8 7.182 1.301 0.921 0.662 1.000 0.429 CB 0.934 Z: 9 4.213 1.662 0.321 0.238 0.750 0.375 CB 1.226 Z: 10 12.560 1.719 0.603 0.856 0.889 0.778 CB 1.261 10 residues pruned to eliminate duplicates Z: 9 10.853 1.763 0.546 0.858 0.875 0.750 CB 1.184 9 residues pruned to eliminate duplicates Z: 8 7.939 1.769 0.848 0.486 0.857 0.857 CB 1.087 8 residues pruned to eliminate duplicates Z: 9 3.111 1.539 0.647 0.659 0.875 0.750 CB 0.428 Z: 8 8.190 1.704 0.391 0.884 1.000 1.000 CB 0.944 8 residues pruned to eliminate duplicates Z: 17 19.412 1.933 0.549 0.826 0.938 0.812 CB 1.304 24 residues pruned to eliminate duplicates Z: 13 5.221 1.847 0.178 0.330 0.917 0.583 CB 0.911 13 residues pruned to eliminate duplicates Z: 11 10.950 1.785 0.915 0.470 0.800 0.500 CB 1.306 11 residues pruned to eliminate duplicates Z: 7 6.468 1.775 0.385 0.682 1.000 0.500 CB 0.908 7 residues pruned to eliminate duplicates Z: 7 6.417 1.786 0.105 0.659 1.000 0.667 CB 1.146 Z: 7 4.799 1.470 0.651 0.744 0.833 0.500 CB 0.779 Z: 7 3.230 1.789 0.118 0.419 0.833 0.833 CB 0.861 Z: 16 12.069 1.509 0.681 0.559 1.000 0.667 CB 1.160 16 residues pruned to eliminate duplicates Z: 7 10.739 1.806 0.650 0.674 1.000 0.667 CA 1.254 7 residues pruned to eliminate duplicates Z: 9 7.912 1.694 0.428 0.633 1.000 0.750 CB 1.020 8 residues pruned to eliminate duplicates Z: 9 7.325 1.679 0.256 0.893 1.000 1.000 CB 0.882 9 residues pruned to eliminate duplicates Z: 6 3.216 1.588 0.545 0.287 0.800 0.400 N 0.931 Z: 8 6.219 1.356 0.577 0.647 0.857 0.429 O 1.118 Z: 6 4.033 1.639 0.948 0.599 0.800 0.800 CB 0.643 Z: 12 14.937 1.638 0.991 0.793 1.000 0.727 CB 1.067 12 residues pruned to eliminate duplicates Z: 10 3.755 1.461 0.874 0.347 0.778 0.444 N 0.694 Z: 6 4.397 1.663 0.618 0.392 0.600 0.400 CB 1.365 6 residues pruned to eliminate duplicates Z: 24 20.653 2.018 0.938 0.605 0.826 0.565 CB 1.206 24 residues pruned to eliminate duplicates Z: 7 2.619 1.260 0.489 0.362 0.667 0.500 CA 0.991 6 1.816 1.473 -0.038 0.448 0.600 0.400 CB 1.007 ? Z: 6 8.108 1.701 0.552 0.802 1.000 1.000 CA 1.054 Z: 10 3.519 1.572 0.224 0.536 0.667 0.444 CB 0.883 10 residues pruned to eliminate duplicates Z: 9 10.698 1.766 0.849 0.739 0.875 0.750 CB 1.068 9 residues pruned to eliminate duplicates Z: 13 11.604 1.666 0.390 0.755 1.000 0.583 CB 1.153 13 residues pruned to eliminate duplicates Z: 18 11.050 1.620 0.668 0.504 0.824 0.588 CB 1.199 12 residues pruned to eliminate duplicates Z: 7 12.647 1.757 0.538 0.860 1.000 0.667 CB 1.406 7 residues pruned to eliminate duplicates 8 1.927 1.584 0.849 0.292 0.429 0.286 CB 0.732 ? Z: 14 7.246 1.582 0.425 0.423 0.923 0.538 CB 1.046 14 residues pruned to eliminate duplicates 6 1.547 1.384 0.987 0.298 1.000 0.600 CB 0.315 ? Z: 12 10.957 1.889 0.151 0.822 0.909 0.727 CB 1.264 12 residues pruned to eliminate duplicates Z: 11 11.119 1.799 0.405 0.601 1.000 0.800 CB 1.264 11 residues pruned to eliminate duplicates Z: 9 11.649 1.728 0.573 0.842 1.000 1.000 CB 1.129 9 residues pruned to eliminate duplicates Z: 7 2.922 1.606 0.488 0.234 0.667 0.333 CB 1.021 Z: 7 2.598 1.405 0.660 0.271 0.667 0.333 CB 0.885 Z: 7 2.282 1.645 0.097 0.279 0.667 0.500 N 0.994 Z: 7 4.528 1.677 0.665 0.881 1.000 1.000 CB 0.479 6 residues pruned to eliminate duplicates Z: 9 12.380 1.737 0.552 0.809 1.000 0.750 CA 1.241 9 residues pruned to eliminate duplicates Z: 7 9.166 1.808 0.675 0.811 1.000 1.000 CB 0.943 7 residues pruned to eliminate duplicates Z: 7 4.801 1.592 0.227 0.606 0.833 0.500 CB 1.088 Z: 8 6.141 1.413 1.349 0.250 0.857 0.429 CB 1.087 Z: 6 2.922 1.509 0.724 0.298 0.600 0.600 N 1.048 6 residues pruned to eliminate duplicates Z: 6 2.810 1.205 0.295 0.491 0.800 0.800 O 1.016 Z: 6 3.988 1.480 1.044 0.495 1.000 1.000 CB 0.592 6 residues pruned to eliminate duplicates Z: 10 4.032 1.445 0.385 0.376 0.667 0.444 CB 1.151 10 residues pruned to eliminate duplicates Z: 13 12.082 1.605 0.432 0.919 1.000 0.833 CB 1.069 13 residues pruned to eliminate duplicates Z: 10 3.567 1.749 0.687 0.646 0.778 0.556 CB 0.452 10 residues pruned to eliminate duplicates Z: 8 4.755 1.907 0.013 0.676 1.000 0.714 CB 0.792 Z: 15 6.057 1.726 0.396 0.452 0.786 0.571 CB 0.898 11 residues pruned to eliminate duplicates Z: 11 11.309 1.644 0.587 0.737 1.000 0.800 CB 1.108 9 residues pruned to eliminate duplicates Z: 18 12.635 1.917 0.540 0.503 0.824 0.588 CB 1.256 18 residues pruned to eliminate duplicates Z: 6 2.556 1.405 0.005 0.526 0.800 0.600 O 0.986 Z: 14 7.238 1.749 0.440 0.343 0.692 0.462 CB 1.366 14 residues pruned to eliminate duplicates Z: 13 18.064 1.784 0.540 0.887 1.000 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 10 8.203 1.381 0.484 0.859 1.000 0.889 CB 0.981 10 residues pruned to eliminate duplicates Z: 12 8.295 1.673 0.377 0.585 0.818 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 11 4.493 1.539 0.079 0.480 0.900 0.500 CB 0.969 6 residues pruned to eliminate duplicates Z: 7 3.411 1.732 -0.140 0.403 1.000 0.667 CB 1.035 3 residues pruned to eliminate duplicates Z: 13 12.994 1.800 0.477 0.876 1.000 1.000 CB 1.025 13 residues pruned to eliminate duplicates Z: 11 11.112 1.942 0.271 0.819 0.900 0.900 CB 1.199 11 residues pruned to eliminate duplicates Z: 6 2.202 1.399 -0.250 0.574 1.000 0.400 CB 0.874 Z: 12 4.837 1.525 0.393 0.220 0.818 0.636 CB 1.165 Z: 8 3.599 1.644 0.500 0.566 0.857 0.571 CB 0.604 8 residues pruned to eliminate duplicates Z: 11 14.963 1.845 0.874 0.906 1.000 0.800 CB 0.973 11 residues pruned to eliminate duplicates Z: 7 2.202 1.624 0.384 0.223 0.500 0.500 CB 1.107 7 residues pruned to eliminate duplicates Z: 7 3.422 1.605 0.204 0.307 0.833 0.333 CB 1.075 Z: 10 13.489 1.705 0.674 0.862 1.000 0.778 CB 1.157 10 residues pruned to eliminate duplicates Z: 9 8.121 1.478 0.358 0.858 1.000 0.875 CB 1.054 6 1.981 1.507 -0.101 0.185 0.800 0.600 N 1.192 ? Z: 14 10.635 1.883 0.270 0.446 0.923 0.692 CB 1.413 14 residues pruned to eliminate duplicates Z: 13 9.432 1.700 0.479 0.676 0.750 0.583 CB 1.228 13 residues pruned to eliminate duplicates Z: 9 6.427 1.742 0.485 0.518 0.875 0.375 CB 0.986 7 residues pruned to eliminate duplicates 6 1.911 1.713 0.170 0.292 0.800 0.400 CB 0.674 ? Z: 19 10.950 1.774 0.489 0.330 0.944 0.500 CB 1.246 19 residues pruned to eliminate duplicates Z: 7 3.186 1.545 0.549 0.275 0.667 0.500 N 1.052 Z: 9 6.231 1.655 0.272 0.364 0.875 0.750 CA 1.385 10 residues pruned to eliminate duplicates Z: 6 4.132 1.501 0.245 0.401 1.000 0.800 CB 1.098 Z: 8 9.618 1.512 0.638 0.865 1.000 0.714 CB 1.075 9 residues pruned to eliminate duplicates Z: 11 9.746 1.710 0.891 0.851 0.900 0.900 CB 0.784 11 residues pruned to eliminate duplicates Z: 7 6.807 1.538 0.286 0.774 1.000 0.667 CB 1.103 7 residues pruned to eliminate duplicates 6 1.947 1.098 0.180 0.495 0.800 0.600 C 0.844 ? Z: 11 7.228 1.573 0.839 0.657 0.800 0.700 CB 0.854 13 residues pruned to eliminate duplicates Z: 8 13.493 1.885 0.574 0.799 0.857 0.571 CA 1.544 8 residues pruned to eliminate duplicates Z: 13 11.878 1.571 0.620 0.884 0.917 0.750 CB 1.062 13 residues pruned to eliminate duplicates Z: 12 10.157 1.614 0.808 0.865 0.909 0.636 CB 0.846 22 residues pruned to eliminate duplicates Z: 17 9.645 1.546 0.530 0.550 0.875 0.750 CB 1.109 11 residues pruned to eliminate duplicates Z: 7 4.915 1.695 0.298 0.402 0.833 0.500 CB 1.212 7 residues pruned to eliminate duplicates Z: 22 15.376 1.900 0.249 0.587 0.857 0.714 CB 1.518 22 residues pruned to eliminate duplicates Z: 19 9.701 1.827 0.357 0.403 0.889 0.611 CB 1.149 19 residues pruned to eliminate duplicates Z: 7 10.112 1.825 0.623 0.821 1.000 1.000 CB 1.055 8 residues pruned to eliminate duplicates Z: 10 8.526 1.928 -0.021 0.791 1.000 0.889 CB 1.166 12 residues pruned to eliminate duplicates Z: 11 2.623 1.574 0.148 0.194 0.600 0.500 O 1.102 Z: 10 5.798 1.530 0.582 0.429 0.889 0.667 CB 0.967 13 residues pruned to eliminate duplicates Z: 8 3.026 1.418 0.488 0.206 1.000 0.286 N 0.768 Z: 14 5.867 1.594 0.378 0.410 0.846 0.615 CB 0.962 Z: 14 13.202 1.897 0.218 0.524 1.000 0.615 CA 1.547 14 residues pruned to eliminate duplicates Z: 6 3.397 1.576 0.583 0.462 0.800 0.600 N 0.791 Z: 6 3.266 1.212 0.725 0.302 0.800 0.600 N 1.089 Z: 13 10.864 1.950 0.616 0.631 0.833 0.500 CB 1.056 13 residues pruned to eliminate duplicates Z: 7 3.051 1.340 0.742 0.289 0.667 0.500 O 1.014 6 1.643 1.579 -0.227 0.805 1.000 0.600 CB 0.461 ? Z: 10 2.862 1.695 0.339 0.363 0.667 0.444 CB 0.730 Z: 18 8.666 1.601 0.475 0.430 0.882 0.529 CB 1.085 14 residues pruned to eliminate duplicates Z: 6 3.223 1.412 0.700 0.508 0.600 0.400 CB 0.993 6 residues pruned to eliminate duplicates Z: 29 20.527 1.866 0.817 0.419 0.929 0.607 CB 1.341 33 residues pruned to eliminate duplicates Z: 11 4.772 1.658 0.079 0.516 0.800 0.500 CB 1.038 10 residues pruned to eliminate duplicates Z: 12 11.225 1.607 0.437 0.817 0.909 0.818 CB 1.225 12 residues pruned to eliminate duplicates Z: 16 10.965 1.713 0.554 0.631 0.867 0.667 CB 1.084 16 residues pruned to eliminate duplicates Z: 6 4.847 1.617 0.269 0.798 1.000 0.600 CB 0.814 Z: 18 6.574 1.567 0.318 0.300 0.824 0.412 CB 1.171 18 residues pruned to eliminate duplicates Z: 12 6.705 1.678 0.325 0.430 0.818 0.545 CB 1.195 12 residues pruned to eliminate duplicates Z: 10 14.295 1.821 0.676 0.768 1.000 0.556 CB 1.231 10 residues pruned to eliminate duplicates Z: 8 4.354 1.432 1.105 0.245 0.857 0.286 N 0.855 8 residues pruned to eliminate duplicates Z: 8 8.268 1.778 0.166 0.769 1.000 1.000 CB 1.188 8 residues pruned to eliminate duplicates Z: 6 4.034 1.650 0.564 0.224 0.800 0.400 CB 1.206 Z: 7 2.327 1.505 0.102 0.249 1.000 0.667 N 0.765 Z: 32 19.239 1.840 0.433 0.577 0.903 0.677 CB 1.347 32 residues pruned to eliminate duplicates Z: 9 5.413 1.760 0.360 0.300 0.750 0.500 CB 1.332 10 residues pruned to eliminate duplicates Z: 15 14.028 1.784 0.424 0.829 1.000 0.857 CB 1.111 15 residues pruned to eliminate duplicates Z: 11 11.088 1.641 0.351 0.794 1.000 0.800 CB 1.222 11 residues pruned to eliminate duplicates 6 1.697 1.255 0.683 0.291 0.600 0.400 CB 0.757 ? Z: 12 6.405 1.573 0.497 0.422 0.909 0.545 CB 0.979 12 residues pruned to eliminate duplicates 6 1.838 1.125 0.221 0.631 0.800 0.400 N 0.662 ? Z: 9 9.623 1.654 0.649 0.724 0.875 0.875 N 1.165 19 residues pruned to eliminate duplicates Z: 6 4.189 1.133 0.734 0.758 1.000 0.800 CB 0.758 Z: 6 5.075 1.673 0.428 0.785 1.000 0.800 CB 0.740 6 residues pruned to eliminate duplicates Z: 10 3.986 1.580 0.233 0.330 0.667 0.222 CA 1.232 8 residues pruned to eliminate duplicates Z: 13 5.277 1.517 0.408 0.383 0.833 0.500 CB 0.968 13 residues pruned to eliminate duplicates 10 1.551 1.317 0.237 0.417 0.889 0.667 CB 0.389 ? Z: 10 3.458 1.477 0.545 0.159 0.778 0.222 CB 0.985 Z: 9 7.239 1.748 0.485 0.446 0.875 0.500 CB 1.191 9 residues pruned to eliminate duplicates Z: 7 10.768 1.682 0.685 0.738 1.000 0.333 N 1.252 7 residues pruned to eliminate duplicates Z: 6 2.843 1.383 0.370 0.300 0.800 0.800 O 1.049 Z: 8 2.596 1.374 0.517 0.212 0.714 0.429 CB 0.925 Z: 9 3.613 1.473 0.777 0.627 0.750 0.625 CB 0.578 9 residues pruned to eliminate duplicates Z: 6 4.761 1.625 0.192 0.735 1.000 0.800 CB 0.890 Z: 13 8.645 1.799 0.403 0.438 0.917 0.750 CB 1.150 8 residues pruned to eliminate duplicates Z: 11 2.575 1.573 0.092 0.391 0.700 0.600 CB 0.759 11 residues pruned to eliminate duplicates Z: 21 16.031 1.991 0.450 0.504 0.850 0.700 CB 1.455 21 residues pruned to eliminate duplicates Z: 9 7.716 1.700 0.563 0.500 0.750 0.500 CB 1.369 Z: 10 17.908 1.915 0.732 0.832 1.000 1.000 CB 1.351 Z: 13 16.837 1.687 0.729 0.819 1.000 0.750 CB 1.262 13 residues pruned to eliminate duplicates 9 1.936 1.403 0.330 0.294 0.500 0.375 CB 0.924 ? Z: 6 2.836 1.095 0.404 0.760 0.800 0.800 C 0.819 Z: 8 8.068 1.649 0.219 0.698 1.000 0.571 CB 1.266 8 residues pruned to eliminate duplicates Z: 8 5.073 1.504 0.835 0.422 0.857 0.571 CA 0.879 6 1.861 1.394 0.210 0.528 0.800 0.600 CB 0.600 ? Z: 9 3.984 1.376 0.591 0.383 0.875 0.500 CB 0.832 Z: 6 2.279 1.275 0.125 0.648 0.600 0.400 C 1.032 Z: 10 4.888 1.753 0.161 0.633 1.000 0.778 CB 0.707 10 residues pruned to eliminate duplicates Z: 7 6.246 1.678 0.285 0.648 0.833 0.500 CB 1.236 7 residues pruned to eliminate duplicates Z: 30 19.561 1.857 0.618 0.539 0.931 0.586 CB 1.250 30 residues pruned to eliminate duplicates Z: 8 4.679 1.517 0.345 0.793 0.857 0.714 CB 0.782 7 residues pruned to eliminate duplicates Z: 15 18.217 1.747 0.662 0.872 0.929 0.571 CA 1.316 15 residues pruned to eliminate duplicates Z: 14 14.390 1.624 0.708 0.642 1.000 0.462 CB 1.261 15 residues pruned to eliminate duplicates Z: 10 7.944 1.544 0.608 0.499 0.889 0.556 CB 1.201 Z: 7 5.076 1.396 0.272 0.605 0.833 0.500 CB 1.267 Z: 6 2.838 1.646 0.271 0.359 0.800 0.600 CB 0.883 Z: 8 6.111 1.448 0.820 0.471 0.857 0.429 CB 1.053 Z: 11 5.285 1.691 0.440 0.547 0.800 0.600 CB 0.819 11 residues pruned to eliminate duplicates 6 1.924 1.528 0.373 0.189 0.600 0.200 CB 0.992 ? Z: 6 3.947 1.614 0.485 0.477 0.800 0.800 CB 0.943 4 residues pruned to eliminate duplicates Z: 7 4.727 1.495 0.560 0.531 0.833 0.667 N 0.963 Z: 36 18.496 1.853 0.558 0.559 0.857 0.571 CB 1.193 39 residues pruned to eliminate duplicates Z: 11 8.682 1.631 0.285 0.785 1.000 0.900 CB 1.020 11 residues pruned to eliminate duplicates Z: 23 10.710 1.711 0.472 0.430 0.773 0.545 CB 1.262 21 residues pruned to eliminate duplicates Z: 10 4.429 1.550 0.436 0.314 0.667 0.444 N 1.223 Z: 10 2.659 1.370 -0.044 0.316 0.889 0.333 CB 0.934 Z: 22 11.842 1.872 0.450 0.493 0.857 0.476 CB 1.118 22 residues pruned to eliminate duplicates Z: 7 4.774 1.573 0.622 0.681 0.833 0.667 CB 0.777 7 residues pruned to eliminate duplicates Z: 20 19.939 1.862 0.838 0.590 0.947 0.421 CB 1.295 20 residues pruned to eliminate duplicates Z: 7 4.879 1.443 0.732 0.636 1.000 0.667 CB 0.702 Z: 11 9.050 1.927 0.204 0.562 0.900 0.600 CB 1.291 8 residues pruned to eliminate duplicates Z: 7 4.416 1.566 0.622 0.474 0.667 0.667 CB 1.093 Z: 9 9.083 1.705 0.669 0.755 1.000 0.500 CB 0.899 8 residues pruned to eliminate duplicates Z: 11 6.822 1.572 0.123 0.478 1.000 0.800 CA 1.249 11 residues pruned to eliminate duplicates Z: 6 3.255 1.566 0.337 0.343 0.600 0.400 N 1.374 Z: 10 3.235 1.362 0.281 0.289 0.778 0.444 O 1.007 Z: 8 2.844 1.299 -0.009 0.708 1.000 0.286 CB 0.691 Z: 6 3.198 1.390 0.584 0.637 0.600 0.400 O 0.952 Z: 13 4.811 1.477 0.603 0.442 0.833 0.667 CB 0.747 Z: 6 4.007 1.657 0.733 0.153 0.800 0.600 CB 1.194 6 residues pruned to eliminate duplicates Z: 7 12.776 1.607 1.161 0.831 1.000 0.667 CB 1.129 7 residues pruned to eliminate duplicates Z: 11 3.050 1.589 0.534 0.217 0.700 0.500 CB 0.789 Z: 16 18.582 1.674 0.861 0.898 1.000 0.733 CB 1.102 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 4.739 1.317 0.538 0.452 0.800 0.400 CB 0.971 Z: 8 5.536 1.426 0.617 0.687 0.714 0.571 CB 1.070 8 residues pruned to eliminate duplicates Z: 8 5.665 1.489 0.671 0.499 0.714 0.286 CB 1.206 8 residues pruned to eliminate duplicates Z: 6 2.120 1.485 0.609 0.433 0.400 0.200 CB 1.063 6 residues pruned to eliminate duplicates Z: 8 6.316 1.554 0.289 0.732 0.857 0.429 CB 1.128 7 residues pruned to eliminate duplicates 7 1.281 1.130 0.562 0.484 0.833 0.500 O 0.361 ? Z: 13 18.568 1.833 0.682 0.875 1.000 0.667 CB 1.264 14 residues pruned to eliminate duplicates Z: 13 14.661 1.705 0.657 0.844 0.917 0.750 CA 1.216 13 residues pruned to eliminate duplicates Z: 13 8.550 1.733 0.384 0.590 0.833 0.500 CA 1.134 9 residues pruned to eliminate duplicates Z: 15 9.070 1.650 0.287 0.827 0.857 0.429 CB 1.004 15 residues pruned to eliminate duplicates Z: 11 17.198 1.918 0.879 0.885 0.900 0.700 CB 1.210 11 residues pruned to eliminate duplicates Z: 20 13.431 1.722 0.542 0.603 0.895 0.474 CB 1.175 18 residues pruned to eliminate duplicates Z: 13 14.942 1.746 0.702 0.865 1.000 0.667 CB 1.064 11 residues pruned to eliminate duplicates Z: 13 16.914 1.751 0.932 0.792 1.000 0.500 CB 1.117 14 residues pruned to eliminate duplicates Z: 12 12.087 1.593 0.931 0.830 0.818 0.727 CB 1.089 11 residues pruned to eliminate duplicates Z: 12 15.412 1.847 0.972 0.907 0.909 0.545 CB 0.997 12 residues pruned to eliminate duplicates Z: 10 7.394 1.521 0.423 0.359 1.000 0.444 O 1.326 9 residues pruned to eliminate duplicates Z: 9 10.205 1.715 0.688 0.563 0.875 0.375 CB 1.340 9 residues pruned to eliminate duplicates Z: 20 12.978 1.914 0.537 0.452 0.789 0.421 CB 1.346 27 residues pruned to eliminate duplicates Z: 10 11.530 1.700 0.575 0.645 0.889 0.444 CB 1.410 10 residues pruned to eliminate duplicates Z: 8 8.833 1.756 0.547 0.337 1.000 0.143 CA 1.469 8 residues pruned to eliminate duplicates Z: 16 16.065 1.839 0.673 0.468 0.933 0.467 O 1.492 16 residues pruned to eliminate duplicates Z: 13 13.552 1.901 0.808 0.368 0.917 0.583 CB 1.431 13 residues pruned to eliminate duplicates Z: 22 11.618 1.778 0.576 0.362 0.762 0.381 CB 1.378 22 residues pruned to eliminate duplicates Z: 16 12.092 1.809 0.601 0.423 0.800 0.467 CB 1.461 16 residues pruned to eliminate duplicates Z: 12 10.425 1.763 0.773 0.285 0.909 0.545 CB 1.410 20 residues pruned to eliminate duplicates Z: 6 3.489 1.569 -0.178 0.640 1.000 0.600 CB 1.061 6 residues pruned to eliminate duplicates Z: 10 5.570 1.523 0.233 0.603 1.000 0.667 CB 0.896 10 residues pruned to eliminate duplicates Z: 8 7.086 1.871 0.256 0.481 1.000 0.714 CB 1.162 7 residues pruned to eliminate duplicates Z: 6 10.303 1.712 1.214 0.785 1.000 0.200 CA 0.946 7 residues pruned to eliminate duplicates Z: 6 2.779 1.307 0.663 0.435 0.600 0.400 O 1.018 6 residues pruned to eliminate duplicates Z: 7 11.095 1.977 0.799 0.549 0.833 0.667 CA 1.457 7 residues pruned to eliminate duplicates Z: 8 11.713 2.007 0.663 0.593 1.000 0.857 CB 1.213 8 residues pruned to eliminate duplicates Z: 6 15.104 2.046 0.835 0.657 1.000 0.800 CA 1.555 7 residues pruned to eliminate duplicates Z: 6 3.685 1.398 0.498 0.515 0.800 0.600 N 0.969 6 residues pruned to eliminate duplicates Z: 16 8.516 1.822 0.331 0.476 0.933 0.600 CB 0.995 16 residues pruned to eliminate duplicates Z: 21 6.630 1.747 0.151 0.235 0.900 0.400 CB 1.114 21 residues pruned to eliminate duplicates Z: 24 19.181 1.827 0.415 0.655 1.000 0.826 CB 1.339 24 residues pruned to eliminate duplicates Z: 28 16.845 1.881 0.294 0.600 0.889 0.778 CB 1.362 28 residues pruned to eliminate duplicates Z: 26 18.084 1.906 0.303 0.627 0.960 0.720 CB 1.345 26 residues pruned to eliminate duplicates Z: 21 19.985 1.931 0.375 0.686 1.000 0.850 CB 1.419 21 residues pruned to eliminate duplicates Z: 39 19.480 1.878 0.363 0.545 0.921 0.632 CB 1.283 28 residues pruned to eliminate duplicates Z: 12 13.089 1.634 0.530 0.830 0.909 0.818 CA 1.305 11 residues pruned to eliminate duplicates Z: 15 17.737 1.869 0.378 0.792 1.000 0.857 CB 1.424 14 residues pruned to eliminate duplicates Z: 14 14.090 1.872 0.194 0.774 0.923 0.692 CB 1.488 14 residues pruned to eliminate duplicates Z: 20 14.195 1.925 0.493 0.531 0.895 0.684 CB 1.228 20 residues pruned to eliminate duplicates Z: 19 14.496 1.797 0.294 0.658 0.944 0.611 CB 1.343 19 residues pruned to eliminate duplicates Z: 32 17.609 1.947 0.344 0.548 0.871 0.710 CB 1.324 32 residues pruned to eliminate duplicates Z: 21 15.153 1.898 0.429 0.578 0.800 0.600 CB 1.449 21 residues pruned to eliminate duplicates Z: 20 16.775 1.935 0.525 0.624 0.947 0.632 CB 1.225 20 residues pruned to eliminate duplicates Z: 6 3.996 1.906 0.450 0.361 0.800 0.400 CB 0.938 Z: 13 16.553 1.856 0.734 0.790 0.833 0.750 CB 1.381 19 residues pruned to eliminate duplicates Z: 17 13.784 1.977 0.473 0.581 0.875 0.625 CB 1.251 17 residues pruned to eliminate duplicates Z: 31 22.715 1.976 0.607 0.530 0.900 0.567 CB 1.410 31 residues pruned to eliminate duplicates Z: 7 11.680 2.029 0.349 0.595 1.000 0.833 CB 1.590 Z: 7 5.651 1.451 0.860 0.351 0.833 0.667 N 1.206 7 residues pruned to eliminate duplicates Z: 25 9.036 1.837 0.376 0.404 0.833 0.667 CB 0.968 32 residues pruned to eliminate duplicates Z: 33 20.231 1.903 0.491 0.548 0.906 0.500 CB 1.328 33 residues pruned to eliminate duplicates Z: 21 15.935 1.883 0.324 0.660 0.850 0.700 CB 1.449 13 residues pruned to eliminate duplicates Z: 7 9.696 1.556 0.834 0.857 1.000 0.500 N 1.022 6 residues pruned to eliminate duplicates Z: 7 8.227 1.555 0.586 0.856 1.000 0.500 N 1.004 7 residues pruned to eliminate duplicates Z: 17 11.692 1.573 0.511 0.542 1.000 0.562 CB 1.180 8 residues pruned to eliminate duplicates Z: 7 6.148 1.501 0.583 0.819 0.833 0.500 N 0.961 7 residues pruned to eliminate duplicates Z: 16 13.136 1.790 0.762 0.478 1.000 0.600 CB 1.100 12 residues pruned to eliminate duplicates Z: 6 5.033 1.791 0.837 0.345 1.000 0.400 CA 0.810 6 residues pruned to eliminate duplicates Z: 11 14.113 1.800 0.654 0.601 1.000 0.600 CB 1.361 11 residues pruned to eliminate duplicates Z: 7 6.559 1.983 0.544 0.216 1.000 0.500 CA 1.222 7 residues pruned to eliminate duplicates Z: 11 10.966 1.997 0.409 0.464 1.000 0.700 CB 1.279 11 residues pruned to eliminate duplicates Z: 15 11.804 1.758 0.686 0.471 0.929 0.571 CB 1.180 15 residues pruned to eliminate duplicates Z: 15 11.462 1.677 0.719 0.476 0.929 0.786 CB 1.173 15 residues pruned to eliminate duplicates Z: 16 13.127 1.787 0.539 0.462 1.000 0.733 CB 1.281 16 residues pruned to eliminate duplicates Z: 10 16.927 1.865 0.574 0.834 1.000 0.778 CB 1.441 14 residues pruned to eliminate duplicates Z: 10 11.218 1.776 0.480 0.800 1.000 0.778 CB 1.095 10 residues pruned to eliminate duplicates Z: 8 2.799 1.388 0.734 0.174 0.714 0.571 CB 0.913 8 residues pruned to eliminate duplicates Z: 14 14.362 1.764 0.651 0.548 1.000 0.769 CB 1.305 14 residues pruned to eliminate duplicates Z: 8 5.123 1.684 0.119 0.553 0.857 0.571 CB 1.138 8 residues pruned to eliminate duplicates Z: 20 8.342 1.712 0.434 0.317 0.947 0.316 CB 1.007 40 residues pruned to eliminate duplicates Z: 21 9.544 1.597 0.421 0.513 0.800 0.600 CB 1.161 21 residues pruned to eliminate duplicates Z: 6 3.873 1.660 0.090 0.289 1.000 0.400 CB 1.213 Z: 7 5.955 1.743 0.390 0.382 0.833 0.500 CB 1.366 7 residues pruned to eliminate duplicates Z: 12 5.806 1.886 0.349 0.133 0.818 0.273 CB 1.328 12 residues pruned to eliminate duplicates Z: 13 10.791 1.892 0.479 0.505 0.833 0.417 CB 1.329 24 residues pruned to eliminate duplicates Z: 14 6.727 1.910 0.133 0.347 0.769 0.462 CB 1.324 14 residues pruned to eliminate duplicates Z: 44 23.627 1.945 0.419 0.537 0.953 0.674 CB 1.320 44 residues pruned to eliminate duplicates Z: 30 18.240 1.859 0.509 0.515 0.966 0.586 CB 1.232 30 residues pruned to eliminate duplicates Z: 9 3.364 1.237 0.403 0.456 0.875 0.375 CB 0.819 9 residues pruned to eliminate duplicates Z: 24 9.886 1.877 0.362 0.337 0.826 0.391 CB 1.167 24 residues pruned to eliminate duplicates Z: 53 17.609 1.813 0.426 0.444 0.865 0.538 CB 1.156 68 residues pruned to eliminate duplicates Z: 6 4.327 1.327 0.919 0.454 1.000 0.600 N 0.796 6 residues pruned to eliminate duplicates Z: 18 10.726 1.726 0.616 0.465 0.824 0.471 CB 1.174 18 residues pruned to eliminate duplicates Z: 34 21.998 1.909 0.536 0.545 0.970 0.667 CB 1.289 34 residues pruned to eliminate duplicates Z: 25 21.191 1.881 0.711 0.589 0.917 0.667 CB 1.346 25 residues pruned to eliminate duplicates Z: 13 10.097 1.743 0.714 0.395 0.917 0.583 CB 1.189 13 residues pruned to eliminate duplicates Z: 13 12.438 1.835 0.759 0.426 0.917 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 10 8.991 1.837 1.018 0.266 0.778 0.556 N 1.357 10 residues pruned to eliminate duplicates Z: 15 6.625 1.674 0.657 0.270 0.786 0.429 CB 1.054 15 residues pruned to eliminate duplicates Z: 36 16.505 1.839 0.596 0.456 0.857 0.657 CB 1.160 36 residues pruned to eliminate duplicates Z: 36 17.149 1.845 0.468 0.497 0.914 0.657 CB 1.175 36 residues pruned to eliminate duplicates Z: 33 13.473 1.775 0.564 0.476 0.781 0.531 CB 1.124 33 residues pruned to eliminate duplicates Z: 32 15.446 1.883 0.429 0.433 0.903 0.613 CB 1.223 32 residues pruned to eliminate duplicates Z: 21 18.477 1.985 0.399 0.595 0.950 0.800 CB 1.429 21 residues pruned to eliminate duplicates Z: 21 16.779 1.921 0.423 0.603 0.950 0.750 CB 1.310 21 residues pruned to eliminate duplicates Z: 16 16.284 1.969 0.424 0.545 1.000 0.600 CB 1.435 16 residues pruned to eliminate duplicates Z: 22 19.774 1.969 0.493 0.584 0.952 0.667 CB 1.421 22 residues pruned to eliminate duplicates Z: 18 13.703 1.870 0.428 0.562 0.941 0.588 CB 1.245 18 residues pruned to eliminate duplicates Z: 30 16.846 1.903 0.376 0.524 0.828 0.586 CB 1.410 30 residues pruned to eliminate duplicates Z: 14 12.122 2.014 0.484 0.448 1.000 0.538 CB 1.186 14 residues pruned to eliminate duplicates Z: 27 12.083 1.809 0.429 0.410 0.885 0.538 CB 1.138 27 residues pruned to eliminate duplicates Z: 30 13.887 1.844 0.431 0.491 0.828 0.448 CB 1.192 30 residues pruned to eliminate duplicates Z: 20 15.854 1.977 0.417 0.573 0.947 0.684 CB 1.277 20 residues pruned to eliminate duplicates Z: 36 22.331 1.863 0.591 0.536 0.914 0.657 CB 1.344 36 residues pruned to eliminate duplicates Z: 34 15.712 1.830 0.439 0.486 0.848 0.515 CB 1.241 34 residues pruned to eliminate duplicates Z: 29 19.562 1.914 0.518 0.541 0.929 0.536 CB 1.317 33 residues pruned to eliminate duplicates Z: 6 4.434 1.617 0.676 0.284 0.800 0.600 CA 1.167 6 residues pruned to eliminate duplicates Z: 37 18.026 1.883 0.450 0.423 0.861 0.500 CB 1.384 37 residues pruned to eliminate duplicates Z: 6 3.209 1.356 0.984 0.590 0.600 0.200 O 0.815 6 residues pruned to eliminate duplicates Z: 22 12.700 1.907 0.686 0.316 0.762 0.381 CB 1.387 22 residues pruned to eliminate duplicates Z: 15 8.120 1.883 0.386 0.417 0.643 0.286 CB 1.412 15 residues pruned to eliminate duplicates Z: 39 16.728 1.822 0.475 0.390 0.816 0.526 CB 1.391 36 residues pruned to eliminate duplicates Z: 9 12.097 1.811 0.687 0.648 1.000 0.875 CA 1.219 9 residues pruned to eliminate duplicates Z: 8 13.729 1.792 0.733 0.632 1.000 0.571 CB 1.476 8 residues pruned to eliminate duplicates Z: 9 6.011 1.646 0.322 0.515 0.875 0.375 CB 1.100 9 residues pruned to eliminate duplicates Z: 19 8.239 1.730 0.567 0.424 0.778 0.444 CB 0.997 19 residues pruned to eliminate duplicates Z: 32 16.935 1.874 0.459 0.501 0.871 0.581 CB 1.275 32 residues pruned to eliminate duplicates Z: 12 11.233 1.789 0.700 0.469 0.909 0.455 CB 1.265 11 residues pruned to eliminate duplicates Z: 6 3.419 1.393 0.710 0.331 1.000 0.400 CB 0.772 5 residues pruned to eliminate duplicates Z: 6 4.597 1.596 0.608 0.403 0.800 0.600 CA 1.108 8 residues pruned to eliminate duplicates Z: 6 4.833 1.518 0.745 0.464 1.000 0.600 CA 0.847 6 residues pruned to eliminate duplicates Z: 19 14.285 1.776 0.716 0.527 0.778 0.500 CB 1.383 19 residues pruned to eliminate duplicates Z: 29 16.591 1.781 0.810 0.446 0.786 0.571 CB 1.308 25 residues pruned to eliminate duplicates Z: 6 5.518 1.610 0.608 0.334 1.000 0.200 CB 1.143 6 residues pruned to eliminate duplicates Z: 14 17.216 1.965 0.832 0.529 0.923 0.615 CB 1.397 14 residues pruned to eliminate duplicates Z: 15 16.820 1.950 0.798 0.550 0.857 0.643 CB 1.425 15 residues pruned to eliminate duplicates Z: 24 16.474 1.812 0.815 0.489 0.783 0.435 CB 1.349 28 residues pruned to eliminate duplicates Z: 18 13.389 1.771 0.768 0.807 0.941 0.882 CB 0.843 18 residues pruned to eliminate duplicates Z: 13 16.949 2.009 0.758 0.588 0.833 0.833 CB 1.528 13 residues pruned to eliminate duplicates Z: 24 16.777 1.823 0.611 0.544 0.870 0.565 CB 1.311 24 residues pruned to eliminate duplicates Z: 25 22.054 1.890 0.770 0.740 0.875 0.667 CB 1.240 35 residues pruned to eliminate duplicates Z: 27 20.682 1.799 0.854 0.605 0.846 0.692 CB 1.301 27 residues pruned to eliminate duplicates Z: 13 7.719 1.663 0.323 0.553 0.917 0.500 CB 1.049 13 residues pruned to eliminate duplicates Z: 12 11.549 1.751 0.487 0.676 0.909 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 24 14.303 1.787 0.665 0.520 0.783 0.565 CB 1.255 24 residues pruned to eliminate duplicates Z: 11 12.911 1.819 0.698 0.685 0.800 0.500 CB 1.395 11 residues pruned to eliminate duplicates Z: 14 16.170 1.800 0.768 0.829 0.923 0.538 CB 1.148 14 residues pruned to eliminate duplicates Z: 15 21.308 1.793 1.015 0.878 1.000 0.571 CB 1.144 14 residues pruned to eliminate duplicates Z: 13 18.073 1.850 0.894 0.865 1.000 0.583 CB 1.091 13 residues pruned to eliminate duplicates Z: 14 15.597 1.822 0.860 0.746 1.000 0.615 CB 1.024 14 residues pruned to eliminate duplicates Z: 10 8.109 1.744 0.634 0.727 0.889 0.667 CB 0.870 10 residues pruned to eliminate duplicates Z: 13 14.081 1.756 0.884 0.780 1.000 0.667 CB 0.960 13 residues pruned to eliminate duplicates Z: 9 10.296 1.799 0.648 0.849 0.875 0.625 CB 1.041 9 residues pruned to eliminate duplicates Z: 13 11.571 1.683 0.790 0.654 0.833 0.667 CB 1.153 13 residues pruned to eliminate duplicates Z: 19 15.440 1.682 0.732 0.706 0.944 0.556 CB 1.096 19 residues pruned to eliminate duplicates Z: 17 17.984 2.055 0.742 0.607 0.812 0.625 CB 1.396 27 residues pruned to eliminate duplicates Z: 15 27.598 2.121 1.049 0.640 0.929 0.786 CB 1.603 16 residues pruned to eliminate duplicates Z: 8 9.381 1.751 0.871 0.494 1.000 0.571 CA 1.089 8 residues pruned to eliminate duplicates Z: 7 16.493 2.137 1.089 0.354 1.000 0.667 CA 1.765 7 residues pruned to eliminate duplicates Z: 22 15.144 1.883 0.539 0.551 0.905 0.667 CB 1.200 22 residues pruned to eliminate duplicates Z: 18 21.658 2.057 0.871 0.547 0.882 0.706 CB 1.478 18 residues pruned to eliminate duplicates Z: 19 19.153 1.965 0.849 0.531 0.889 0.722 CB 1.356 19 residues pruned to eliminate duplicates Z: 17 19.263 2.060 0.716 0.547 0.938 0.625 CB 1.387 17 residues pruned to eliminate duplicates Z: 22 18.881 1.927 0.784 0.529 0.905 0.714 CB 1.287 22 residues pruned to eliminate duplicates Z: 13 21.983 2.050 1.019 0.692 0.833 0.750 CB 1.544 13 residues pruned to eliminate duplicates Z: 16 15.400 2.030 0.583 0.577 0.867 0.600 CB 1.326 16 residues pruned to eliminate duplicates Z: 16 26.771 2.107 0.811 0.657 1.000 0.667 CB 1.566 16 residues pruned to eliminate duplicates Z: 18 21.081 2.046 0.843 0.574 0.941 0.765 CB 1.342 18 residues pruned to eliminate duplicates Z: 8 11.137 1.839 0.456 0.771 0.857 0.571 N 1.443 8 residues pruned to eliminate duplicates Z: 26 23.280 1.938 0.711 0.650 0.880 0.720 CB 1.387 26 residues pruned to eliminate duplicates Z: 11 10.162 1.680 0.506 0.717 0.800 0.700 CB 1.305 11 residues pruned to eliminate duplicates Z: 9 10.398 1.774 0.578 0.802 0.875 0.625 CB 1.153 9 residues pruned to eliminate duplicates Z: 10 13.092 1.813 0.658 0.683 0.889 0.556 CB 1.380 10 residues pruned to eliminate duplicates Z: 12 10.135 1.737 0.577 0.704 0.909 0.455 CB 1.019 8 residues pruned to eliminate duplicates Z: 10 13.583 1.775 0.603 0.735 1.000 0.556 CB 1.289 11 residues pruned to eliminate duplicates Z: 7 4.288 1.593 0.268 0.682 0.667 0.333 CB 1.099 7 residues pruned to eliminate duplicates Z: 17 11.198 1.732 0.511 0.587 0.875 0.625 CB 1.125 20 residues pruned to eliminate duplicates Z: 13 11.937 1.717 0.584 0.688 1.000 0.750 CB 1.066 13 residues pruned to eliminate duplicates Z: 13 5.878 1.544 0.854 0.172 0.750 0.250 CB 1.177 16 residues pruned to eliminate duplicates Z: 7 7.394 1.454 0.921 0.503 1.000 0.667 C 1.077 8 residues pruned to eliminate duplicates Z: 6 3.795 1.527 0.331 0.424 0.800 0.600 N 1.130 6 residues pruned to eliminate duplicates Z: 12 5.554 1.435 0.495 0.321 1.000 0.364 CB 0.951 9 residues pruned to eliminate duplicates Z: 7 3.348 1.526 0.563 0.311 0.833 0.167 CB 0.848 5 residues pruned to eliminate duplicates Z: 8 5.694 1.714 0.423 0.766 0.857 0.714 CB 0.813 8 residues pruned to eliminate duplicates Z: 7 5.476 1.549 0.403 0.602 1.000 0.500 CB 0.933 7 residues pruned to eliminate duplicates Z: 13 6.306 1.619 0.159 0.487 0.917 0.500 CB 1.072 11 residues pruned to eliminate duplicates Z: 15 11.802 1.771 0.210 0.849 1.000 1.000 CB 1.092 16 residues pruned to eliminate duplicates Z: 15 10.916 1.758 0.118 0.826 1.000 0.786 CB 1.119 15 residues pruned to eliminate duplicates Z: 12 8.747 1.825 0.069 0.866 1.000 0.909 CB 0.989 12 residues pruned to eliminate duplicates Z: 9 5.988 1.678 -0.104 0.640 1.000 0.875 CB 1.235 9 residues pruned to eliminate duplicates Z: 8 9.229 1.719 0.367 0.845 1.000 1.000 CB 1.103 8 residues pruned to eliminate duplicates Z: 16 9.504 1.772 0.204 0.665 0.867 0.800 CB 1.139 16 residues pruned to eliminate duplicates Z: 18 8.845 1.708 0.057 0.630 1.000 0.765 CB 1.051 18 residues pruned to eliminate duplicates Z: 12 10.169 1.835 0.482 0.716 0.818 0.727 CB 1.133 13 residues pruned to eliminate duplicates Z: 15 13.660 1.810 0.264 0.889 1.000 0.786 CB 1.148 17 residues pruned to eliminate duplicates Z: 15 14.329 1.784 0.362 0.832 1.000 0.929 CB 1.183 14 residues pruned to eliminate duplicates Z: 9 11.329 1.824 0.639 0.623 0.875 0.500 N 1.363 9 residues pruned to eliminate duplicates Z: 14 10.604 1.817 0.519 0.415 0.846 0.385 CB 1.376 12 residues pruned to eliminate duplicates Z: 6 5.891 1.790 0.443 0.617 0.800 0.400 CB 1.142 6 residues pruned to eliminate duplicates Z: 8 6.895 1.892 0.045 0.645 0.857 0.429 CB 1.343 8 residues pruned to eliminate duplicates Z: 19 14.454 1.890 0.584 0.559 0.944 0.778 CB 1.138 19 residues pruned to eliminate duplicates Z: 30 16.877 1.843 0.387 0.611 0.897 0.552 CB 1.230 30 residues pruned to eliminate duplicates Z: 23 13.932 1.872 0.522 0.476 0.909 0.545 CB 1.176 23 residues pruned to eliminate duplicates Z: 25 13.218 1.866 0.438 0.515 0.833 0.500 CB 1.189 25 residues pruned to eliminate duplicates Z: 16 13.876 1.895 0.483 0.610 1.000 0.733 CB 1.149 22 residues pruned to eliminate duplicates Z: 20 9.571 1.854 0.541 0.441 0.842 0.474 CB 0.970 20 residues pruned to eliminate duplicates Z: 23 11.038 1.739 0.499 0.514 0.773 0.591 CB 1.152 23 residues pruned to eliminate duplicates Z: 24 11.983 1.816 0.354 0.514 0.870 0.478 CB 1.152 24 residues pruned to eliminate duplicates Z: 24 13.336 1.838 0.428 0.518 0.826 0.565 CB 1.260 24 residues pruned to eliminate duplicates Z: 18 12.503 1.932 0.354 0.605 0.941 0.824 CB 1.115 18 residues pruned to eliminate duplicates Z: 17 11.825 1.823 0.293 0.592 0.938 0.750 CB 1.224 17 residues pruned to eliminate duplicates Z: 29 16.925 1.853 0.395 0.580 1.000 0.500 CB 1.146 29 residues pruned to eliminate duplicates Z: 11 11.140 1.900 0.385 0.588 1.000 0.600 CB 1.231 11 residues pruned to eliminate duplicates Z: 19 7.276 1.834 0.419 0.397 0.667 0.389 CB 1.102 19 residues pruned to eliminate duplicates Z: 20 14.550 1.778 0.359 0.647 0.947 0.579 CB 1.271 20 residues pruned to eliminate duplicates Z: 30 15.809 1.826 0.422 0.602 0.897 0.621 CB 1.144 30 residues pruned to eliminate duplicates Z: 27 18.250 1.863 0.424 0.686 0.923 0.731 CB 1.233 27 residues pruned to eliminate duplicates Z: 31 17.123 1.789 0.422 0.632 0.933 0.633 CB 1.162 31 residues pruned to eliminate duplicates Z: 23 11.149 1.677 0.335 0.606 0.864 0.455 CB 1.111 23 residues pruned to eliminate duplicates Z: 24 15.110 1.799 0.355 0.649 0.913 0.783 CB 1.232 24 residues pruned to eliminate duplicates Z: 17 16.162 1.791 0.505 0.692 0.938 0.625 CB 1.341 17 residues pruned to eliminate duplicates Z: 21 17.879 1.853 0.421 0.716 1.000 0.850 CB 1.248 21 residues pruned to eliminate duplicates Z: 31 20.029 1.851 0.475 0.652 0.967 0.767 CB 1.202 31 residues pruned to eliminate duplicates Z: 8 5.821 1.665 1.222 0.470 0.571 0.286 CB 1.073 8 residues pruned to eliminate duplicates Z: 26 14.840 1.846 0.386 0.622 0.880 0.640 CB 1.175 26 residues pruned to eliminate duplicates Z: 14 6.805 1.540 0.449 0.385 0.846 0.538 CB 1.129 14 residues pruned to eliminate duplicates Z: 11 6.060 1.638 0.278 0.452 0.800 0.600 CB 1.203 11 residues pruned to eliminate duplicates Z: 13 5.109 1.708 0.286 0.421 0.667 0.500 CB 1.093 13 residues pruned to eliminate duplicates Z: 11 5.485 1.710 0.185 0.483 0.700 0.400 CB 1.244 11 residues pruned to eliminate duplicates Z: 15 18.114 1.765 0.526 0.809 0.929 0.714 CA 1.479 14 residues pruned to eliminate duplicates Z: 14 13.487 1.762 0.347 0.874 1.000 0.846 CB 1.147 15 residues pruned to eliminate duplicates Z: 15 17.569 1.733 0.521 0.826 1.000 0.643 CA 1.344 15 residues pruned to eliminate duplicates Z: 14 19.673 1.730 0.553 0.889 1.000 0.769 CA 1.462 14 residues pruned to eliminate duplicates Z: 15 16.020 1.737 0.462 0.858 0.929 0.643 CB 1.337 15 residues pruned to eliminate duplicates Z: 16 14.241 1.650 0.551 0.835 0.867 0.600 CB 1.241 16 residues pruned to eliminate duplicates Z: 13 18.782 1.804 0.602 0.810 1.000 0.833 CB 1.432 13 residues pruned to eliminate duplicates Z: 16 15.183 1.634 0.591 0.702 0.933 0.600 CA 1.345 16 residues pruned to eliminate duplicates Z: 17 14.534 1.654 0.495 0.656 0.938 0.688 CB 1.355 15 residues pruned to eliminate duplicates Z: 9 7.201 1.760 0.224 0.889 1.000 1.000 CB 0.851 9 residues pruned to eliminate duplicates Z: 13 14.584 1.765 0.656 0.857 1.000 0.833 CB 1.061 13 residues pruned to eliminate duplicates Z: 16 9.462 1.587 0.539 0.492 0.933 0.533 CB 1.081 16 residues pruned to eliminate duplicates Z: 12 12.821 1.768 0.534 0.817 1.000 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 16 10.690 1.742 0.602 0.542 0.867 0.800 CB 1.095 16 residues pruned to eliminate duplicates Z: 18 10.164 1.671 0.518 0.474 0.941 0.706 CB 1.060 18 residues pruned to eliminate duplicates Z: 16 14.154 1.765 0.606 0.633 0.933 0.600 CB 1.219 16 residues pruned to eliminate duplicates Z: 15 13.645 1.737 0.741 0.594 0.929 0.714 CB 1.187 15 residues pruned to eliminate duplicates Z: 14 11.848 1.698 0.839 0.584 0.769 0.385 CB 1.262 14 residues pruned to eliminate duplicates Z: 14 15.111 1.784 0.847 0.722 0.846 0.538 CB 1.230 14 residues pruned to eliminate duplicates Z: 14 12.658 1.739 0.686 0.805 0.923 0.462 CB 0.994 14 residues pruned to eliminate duplicates Z: 14 15.840 1.592 0.823 0.891 1.000 0.769 CB 1.089 14 residues pruned to eliminate duplicates Z: 22 12.787 1.560 0.556 0.624 0.905 0.667 CB 1.130 15 residues pruned to eliminate duplicates Z: 15 18.677 1.668 0.825 0.911 1.000 1.000 CB 1.162 15 residues pruned to eliminate duplicates Z: 10 4.726 1.290 0.671 0.228 0.889 0.444 N 1.129 11 residues pruned to eliminate duplicates Z: 15 11.993 1.569 0.967 0.694 0.857 0.500 CB 1.014 15 residues pruned to eliminate duplicates 8 1.199 1.277 0.525 0.096 0.571 0.143 O 0.684 ? Z: 7 4.104 1.560 0.312 0.168 1.000 0.500 CB 1.227 7 residues pruned to eliminate duplicates Z: 6 3.681 1.436 0.083 0.398 1.000 0.400 CB 1.179 6 residues pruned to eliminate duplicates Z: 20 10.744 1.677 0.536 0.437 0.842 0.474 CB 1.212 20 residues pruned to eliminate duplicates Z: 9 6.933 1.705 0.813 0.381 0.750 0.625 CB 1.201 9 residues pruned to eliminate duplicates Z: 8 6.906 1.829 0.500 0.557 0.857 0.714 CB 1.050 8 residues pruned to eliminate duplicates Z: 8 8.774 1.847 0.504 0.544 0.857 0.714 CB 1.335 8 residues pruned to eliminate duplicates Z: 9 8.509 1.787 0.726 0.637 0.750 0.500 N 1.144 10 residues pruned to eliminate duplicates Z: 15 17.086 1.755 0.666 0.747 1.000 0.500 CB 1.252 13 residues pruned to eliminate duplicates Z: 9 15.828 1.897 0.764 0.761 1.000 0.750 CB 1.326 9 residues pruned to eliminate duplicates Z: 16 13.018 1.760 0.320 0.782 0.933 0.933 CB 1.209 16 residues pruned to eliminate duplicates Z: 15 14.746 1.760 0.588 0.706 0.929 0.571 CB 1.259 15 residues pruned to eliminate duplicates Z: 17 12.105 1.734 0.416 0.704 1.000 0.688 CB 1.024 17 residues pruned to eliminate duplicates Z: 13 6.040 1.546 0.555 0.306 0.833 0.500 CB 1.080 13 residues pruned to eliminate duplicates Z: 7 4.475 1.693 0.092 0.605 0.833 0.833 CB 1.073 7 residues pruned to eliminate duplicates Z: 6 2.812 1.564 0.325 0.489 0.800 0.600 CB 0.767 6 residues pruned to eliminate duplicates Z: 9 5.593 1.472 0.397 0.534 0.750 0.375 CB 1.239 7 residues pruned to eliminate duplicates Z: 12 11.464 1.552 0.504 0.897 0.909 0.818 CB 1.165 12 residues pruned to eliminate duplicates Z: 13 7.118 1.560 0.341 0.539 0.917 0.583 CB 1.031 10 residues pruned to eliminate duplicates Z: 12 9.462 1.534 0.347 0.925 1.000 1.000 O 0.969 12 residues pruned to eliminate duplicates Z: 9 6.096 1.613 0.241 0.698 0.875 0.750 CB 1.027 9 residues pruned to eliminate duplicates Z: 8 5.500 1.691 0.406 0.589 1.000 0.571 CB 0.803 8 residues pruned to eliminate duplicates Z: 11 6.322 1.581 0.768 0.690 0.800 0.500 CB 0.751 11 residues pruned to eliminate duplicates Z: 15 10.120 1.557 0.581 0.686 1.000 0.429 CB 0.926 15 residues pruned to eliminate duplicates Z: 12 9.639 1.619 0.637 0.763 0.909 0.455 CB 0.955 12 residues pruned to eliminate duplicates Z: 12 11.192 1.615 0.726 0.798 0.909 0.455 CB 1.025 12 residues pruned to eliminate duplicates Z: 11 7.073 1.484 0.844 0.526 0.800 0.600 CB 0.996 17 residues pruned to eliminate duplicates Z: 14 12.979 1.639 0.611 0.840 0.923 0.615 CB 1.102 18 residues pruned to eliminate duplicates Z: 14 11.408 1.571 0.517 0.895 1.000 0.769 CB 0.952 14 residues pruned to eliminate duplicates Z: 8 4.689 1.550 0.609 0.179 1.000 0.429 CB 1.047 8 residues pruned to eliminate duplicates Z: 8 3.997 1.372 0.709 0.198 0.857 0.571 CA 1.077 8 residues pruned to eliminate duplicates Z: 15 7.683 1.602 0.637 0.474 0.786 0.500 CB 1.023 15 residues pruned to eliminate duplicates Z: 15 13.763 1.895 0.391 0.468 0.929 0.429 N 1.553 13 residues pruned to eliminate duplicates Z: 8 9.302 1.823 0.265 0.768 1.000 0.714 CB 1.202 10 residues pruned to eliminate duplicates Z: 7 12.050 1.869 0.564 0.686 1.000 0.333 CA 1.419 7 residues pruned to eliminate duplicates Z: 13 17.575 2.062 0.547 0.552 0.917 0.500 CB 1.650 13 residues pruned to eliminate duplicates Z: 6 2.540 1.589 0.278 0.350 0.800 0.400 N 0.823 6 residues pruned to eliminate duplicates Z: 14 9.500 1.913 0.249 0.469 0.846 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 12 12.506 1.976 0.552 0.575 0.909 0.818 CB 1.258 12 residues pruned to eliminate duplicates Z: 14 12.960 1.917 0.412 0.444 0.923 0.385 CB 1.524 14 residues pruned to eliminate duplicates Z: 14 11.929 1.889 0.270 0.487 1.000 0.692 CB 1.397 14 residues pruned to eliminate duplicates Z: 20 8.417 1.740 0.301 0.332 0.842 0.579 CB 1.217 20 residues pruned to eliminate duplicates Z: 36 17.415 1.816 0.412 0.538 0.914 0.514 CB 1.209 36 residues pruned to eliminate duplicates Z: 28 17.912 1.874 0.547 0.532 0.926 0.593 CB 1.244 28 residues pruned to eliminate duplicates Z: 26 17.883 1.939 0.420 0.548 0.960 0.600 CB 1.291 26 residues pruned to eliminate duplicates Z: 25 17.444 1.962 0.365 0.615 0.958 0.625 CB 1.245 25 residues pruned to eliminate duplicates Z: 22 16.951 1.922 0.323 0.574 1.000 0.762 CB 1.355 22 residues pruned to eliminate duplicates Z: 37 18.410 1.875 0.483 0.561 0.917 0.639 CB 1.134 37 residues pruned to eliminate duplicates Z: 25 18.011 1.941 0.561 0.547 0.917 0.583 CB 1.264 25 residues pruned to eliminate duplicates Z: 14 13.372 1.728 0.859 0.726 0.846 0.615 CB 1.113 14 residues pruned to eliminate duplicates Z: 26 16.460 1.897 0.491 0.647 0.960 0.680 CB 1.057 26 residues pruned to eliminate duplicates Z: 27 16.374 1.900 0.345 0.541 0.962 0.731 CB 1.255 27 residues pruned to eliminate duplicates Z: 32 14.381 1.886 0.326 0.548 0.839 0.581 CB 1.176 32 residues pruned to eliminate duplicates Z: 30 20.701 1.887 0.553 0.546 0.931 0.586 CB 1.347 30 residues pruned to eliminate duplicates Z: 29 18.544 1.892 0.564 0.489 0.929 0.464 CB 1.290 29 residues pruned to eliminate duplicates Z: 34 16.655 1.876 0.381 0.506 0.939 0.545 CB 1.184 34 residues pruned to eliminate duplicates Z: 8 5.551 1.788 0.393 0.457 0.857 0.571 CB 1.027 8 residues pruned to eliminate duplicates Z: 35 19.719 1.891 0.457 0.524 0.912 0.529 CB 1.315 34 residues pruned to eliminate duplicates Z: 6 2.805 1.542 0.176 0.485 0.800 0.800 CA 0.878 6 residues pruned to eliminate duplicates Z: 12 6.998 1.935 0.225 0.411 0.727 0.455 CA 1.345 12 residues pruned to eliminate duplicates Z: 12 9.422 1.970 0.358 0.410 0.818 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 15 9.816 1.957 0.402 0.372 0.786 0.357 CB 1.395 12 residues pruned to eliminate duplicates Z: 6 2.294 1.373 1.043 0.126 0.600 0.000 O 0.974 6 residues pruned to eliminate duplicates Z: 14 9.495 1.927 0.479 0.410 0.769 0.308 CB 1.320 14 residues pruned to eliminate duplicates Z: 6 3.513 1.600 0.250 0.329 1.000 0.400 CB 0.947 5 residues pruned to eliminate duplicates Z: 16 16.819 1.918 0.373 0.815 1.000 0.733 CB 1.254 16 residues pruned to eliminate duplicates Z: 42 20.541 1.853 0.612 0.469 0.902 0.561 CB 1.229 42 residues pruned to eliminate duplicates Z: 17 19.714 1.741 0.970 0.780 1.000 0.625 CB 1.123 17 residues pruned to eliminate duplicates Z: 30 24.031 1.987 0.639 0.547 0.966 0.448 CB 1.356 30 residues pruned to eliminate duplicates Z: 28 18.337 1.937 0.607 0.416 0.926 0.444 CB 1.337 28 residues pruned to eliminate duplicates Z: 25 26.931 2.037 0.745 0.572 1.000 0.583 CB 1.443 25 residues pruned to eliminate duplicates Z: 35 23.549 1.934 0.792 0.558 0.882 0.647 CB 1.248 35 residues pruned to eliminate duplicates Z: 17 15.052 1.882 0.811 0.617 0.875 0.438 CB 1.129 17 residues pruned to eliminate duplicates Z: 35 23.444 1.941 0.801 0.537 0.941 0.529 CB 1.179 35 residues pruned to eliminate duplicates Z: 19 23.836 2.074 0.780 0.608 1.000 0.500 CB 1.374 19 residues pruned to eliminate duplicates Z: 25 25.384 2.040 0.680 0.558 0.958 0.583 CB 1.491 25 residues pruned to eliminate duplicates Z: 25 24.307 1.982 0.720 0.550 1.000 0.583 CB 1.386 25 residues pruned to eliminate duplicates Z: 32 25.849 1.997 0.793 0.570 0.968 0.645 CB 1.252 40 residues pruned to eliminate duplicates Z: 18 21.499 1.968 0.577 0.742 1.000 0.824 CB 1.353 18 residues pruned to eliminate duplicates Z: 23 23.477 2.052 0.769 0.535 0.955 0.682 CB 1.396 23 residues pruned to eliminate duplicates Z: 25 27.230 2.047 0.694 0.555 1.000 0.625 CB 1.520 33 residues pruned to eliminate duplicates Z: 7 4.008 1.390 0.740 0.423 0.833 0.667 N 0.879 Z: 7 2.151 1.182 0.486 0.266 0.833 0.000 CA 0.783 Z: 6 4.101 1.434 0.507 0.468 0.800 0.800 CA 1.095 Z: 8 3.435 1.387 0.579 0.339 0.857 0.571 N 0.825 5 residues pruned to eliminate duplicates Z: 6 4.171 1.642 0.180 0.590 1.000 0.400 CB 0.883 6 residues pruned to eliminate duplicates Z: 8 6.345 1.918 0.044 0.512 0.857 0.286 CB 1.380 9 residues pruned to eliminate duplicates Z: 7 3.765 1.690 0.699 0.343 0.833 0.333 CB 0.762 4 residues pruned to eliminate duplicates Z: 10 8.177 1.625 0.734 0.478 1.000 0.333 CB 0.988 10 residues pruned to eliminate duplicates Z: 24 13.130 1.843 0.580 0.325 0.783 0.348 CB 1.456 24 residues pruned to eliminate duplicates Z: 11 15.405 1.881 0.533 0.626 1.000 0.600 CA 1.500 11 residues pruned to eliminate duplicates Z: 18 11.024 1.974 0.456 0.408 0.765 0.353 CB 1.339 18 residues pruned to eliminate duplicates Z: 13 8.334 2.007 0.160 0.465 0.750 0.417 CB 1.428 13 residues pruned to eliminate duplicates Z: 17 13.621 1.977 0.505 0.330 0.938 0.500 CB 1.470 17 residues pruned to eliminate duplicates Z: 21 17.177 1.954 0.627 0.417 0.900 0.550 CB 1.464 23 residues pruned to eliminate duplicates Z: 9 9.183 1.692 0.655 0.450 0.875 0.625 N 1.394 9 residues pruned to eliminate duplicates Z: 19 14.246 1.951 0.386 0.380 0.944 0.611 CB 1.494 19 residues pruned to eliminate duplicates Z: 18 14.969 1.975 0.486 0.439 0.882 0.647 CB 1.492 18 residues pruned to eliminate duplicates Z: 33 13.161 1.821 0.337 0.388 0.875 0.469 CB 1.230 33 residues pruned to eliminate duplicates Z: 19 14.730 1.942 0.546 0.367 0.889 0.333 CB 1.500 19 residues pruned to eliminate duplicates Z: 6 2.304 1.698 0.516 0.365 0.800 0.400 CB 0.578 6 residues pruned to eliminate duplicates Z: 19 13.537 1.921 0.566 0.421 0.833 0.500 CB 1.382 19 residues pruned to eliminate duplicates Z: 26 13.046 1.640 0.624 0.383 0.840 0.480 CB 1.320 13 residues pruned to eliminate duplicates Z: 9 14.672 1.870 0.706 0.678 0.875 0.875 N 1.579 9 residues pruned to eliminate duplicates Z: 18 14.966 1.800 0.632 0.499 0.882 0.588 CA 1.401 18 residues pruned to eliminate duplicates Z: 21 15.576 1.796 0.670 0.439 0.850 0.600 N 1.454 21 residues pruned to eliminate duplicates Z: 21 12.500 1.848 0.491 0.407 0.800 0.450 CB 1.399 21 residues pruned to eliminate duplicates Z: 19 14.529 1.884 0.436 0.426 0.944 0.611 CA 1.448 19 residues pruned to eliminate duplicates Z: 39 14.315 1.768 0.408 0.413 0.842 0.447 CB 1.214 65 residues pruned to eliminate duplicates Z: 9 12.154 1.738 0.445 0.672 1.000 0.750 CA 1.460 9 residues pruned to eliminate duplicates Z: 19 18.795 1.824 0.759 0.509 0.944 0.667 CA 1.450 28 residues pruned to eliminate duplicates Z: 18 16.627 1.892 0.664 0.530 0.882 0.706 CA 1.409 18 residues pruned to eliminate duplicates Z: 18 17.448 1.901 0.737 0.520 0.882 0.647 CA 1.424 18 residues pruned to eliminate duplicates Z: 17 16.974 1.811 0.694 0.568 1.000 0.625 CA 1.295 17 residues pruned to eliminate duplicates Z: 13 7.888 1.801 0.338 0.402 0.750 0.417 CB 1.396 Z: 6 6.044 1.422 0.968 0.453 1.000 0.600 CA 1.013 6 residues pruned to eliminate duplicates Z: 39 20.420 1.886 0.607 0.413 0.895 0.711 CB 1.338 52 residues pruned to eliminate duplicates Z: 22 15.954 1.831 0.688 0.456 0.857 0.619 CB 1.375 22 residues pruned to eliminate duplicates Z: 16 8.934 1.760 0.452 0.296 0.933 0.600 CB 1.214 Z: 6 7.951 1.721 0.348 0.626 1.000 0.600 CB 1.361 5 residues pruned to eliminate duplicates Z: 7 6.541 1.609 0.474 0.644 0.833 0.667 N 1.181 7 residues pruned to eliminate duplicates Z: 11 7.067 1.457 0.501 0.540 0.800 0.600 CB 1.228 9 residues pruned to eliminate duplicates Z: 10 4.760 1.514 0.452 0.362 0.889 0.222 CB 0.942 10 residues pruned to eliminate duplicates Z: 8 3.746 1.309 0.528 0.563 1.000 0.429 CB 0.666 3 residues pruned to eliminate duplicates Z: 7 3.009 1.344 0.642 0.360 0.833 0.333 CB 0.777 8 residues pruned to eliminate duplicates Z: 15 13.494 1.706 0.571 0.804 0.929 0.786 CB 1.111 15 residues pruned to eliminate duplicates Z: 11 8.775 1.662 0.481 0.559 1.000 0.500 CB 1.065 11 residues pruned to eliminate duplicates Z: 16 13.425 1.727 0.515 0.662 0.867 0.533 CB 1.315 16 residues pruned to eliminate duplicates Z: 9 6.646 1.580 0.637 0.796 0.875 0.500 CB 0.801 9 residues pruned to eliminate duplicates Z: 15 10.977 1.622 0.515 0.625 0.929 0.357 CB 1.142 15 residues pruned to eliminate duplicates Z: 19 12.214 1.625 0.464 0.600 0.944 0.500 CB 1.165 19 residues pruned to eliminate duplicates Z: 25 9.522 1.712 0.337 0.421 0.750 0.458 CB 1.229 25 residues pruned to eliminate duplicates Z: 12 8.261 1.670 0.281 0.611 0.818 0.455 N 1.282 12 residues pruned to eliminate duplicates Z: 17 13.052 1.717 0.525 0.633 0.938 0.625 CB 1.173 17 residues pruned to eliminate duplicates Z: 27 11.910 1.718 0.342 0.464 0.846 0.346 CB 1.242 27 residues pruned to eliminate duplicates Z: 15 11.724 1.726 0.478 0.536 0.857 0.643 CB 1.383 15 residues pruned to eliminate duplicates Z: 21 16.997 1.670 0.771 0.542 0.950 0.450 CB 1.298 21 residues pruned to eliminate duplicates Z: 7 2.391 1.520 -0.120 0.362 0.833 0.500 CB 1.016 Z: 8 5.571 1.644 0.013 0.541 1.000 0.714 CB 1.215 Z: 7 4.597 1.637 0.157 0.552 0.833 0.167 CB 1.130 9 residues pruned to eliminate duplicates Z: 8 9.751 1.608 0.561 0.728 1.000 0.429 CB 1.195 6 residues pruned to eliminate duplicates Z: 11 9.502 1.561 0.411 0.622 1.000 0.400 CB 1.216 13 residues pruned to eliminate duplicates Z: 10 7.714 1.641 0.267 0.620 1.000 0.222 CB 1.104 10 residues pruned to eliminate duplicates Z: 12 9.386 1.583 0.402 0.559 1.000 0.545 CB 1.203 7 residues pruned to eliminate duplicates Z: 12 5.058 1.533 0.241 0.496 0.727 0.636 CB 1.108 4 residues pruned to eliminate duplicates 6 1.988 1.599 0.523 0.200 0.800 0.000 CB 0.652 ? Z: 6 2.005 1.109 0.615 0.347 0.800 0.400 CA 0.739 Z: 7 3.665 1.420 0.598 0.342 1.000 0.500 CB 0.783 Z: 11 7.585 1.580 0.255 0.627 0.900 0.700 CB 1.192 3 residues pruned to eliminate duplicates Z: 9 10.627 1.772 0.390 0.772 1.000 0.750 CB 1.199 9 residues pruned to eliminate duplicates Z: 10 10.187 1.640 0.331 0.874 1.000 0.778 CB 1.131 10 residues pruned to eliminate duplicates Z: 11 8.880 1.648 0.255 0.674 0.900 0.800 CB 1.285 11 residues pruned to eliminate duplicates Z: 15 10.286 1.678 0.375 0.463 0.929 0.571 CB 1.331 15 residues pruned to eliminate duplicates Z: 8 11.595 1.755 0.400 0.907 1.000 1.000 CB 1.269 8 residues pruned to eliminate duplicates Z: 8 3.784 1.580 0.583 0.313 0.714 0.429 CB 0.984 Z: 8 7.350 1.627 0.739 0.753 0.714 0.286 CB 1.097 8 residues pruned to eliminate duplicates Z: 12 9.827 1.753 0.620 0.639 0.909 0.364 CB 1.007 12 residues pruned to eliminate duplicates Z: 15 9.919 1.724 0.690 0.519 0.929 0.571 CB 0.961 15 residues pruned to eliminate duplicates Z: 14 13.399 1.654 0.832 0.718 0.923 0.538 CB 1.090 14 residues pruned to eliminate duplicates Z: 13 8.014 1.687 0.715 0.581 0.833 0.583 CB 0.888 13 residues pruned to eliminate duplicates Z: 15 12.489 1.735 0.698 0.595 0.857 0.500 CB 1.207 15 residues pruned to eliminate duplicates Z: 13 11.977 1.710 0.629 0.616 0.833 0.583 CB 1.334 13 residues pruned to eliminate duplicates Z: 40 14.115 1.752 0.541 0.351 0.795 0.487 CB 1.237 54 residues pruned to eliminate duplicates Z: 18 16.678 1.672 0.668 0.688 0.941 0.824 CB 1.298 18 residues pruned to eliminate duplicates Z: 28 14.361 1.797 0.531 0.509 0.852 0.630 CB 1.168 28 residues pruned to eliminate duplicates Z: 22 13.830 1.819 0.596 0.445 0.857 0.619 CB 1.284 22 residues pruned to eliminate duplicates Z: 9 10.104 1.948 0.610 0.495 0.875 0.500 CB 1.309 9 residues pruned to eliminate duplicates Z: 16 10.415 1.831 0.300 0.500 0.867 0.400 CB 1.303 16 residues pruned to eliminate duplicates Z: 8 13.563 1.872 0.752 0.624 1.000 0.571 N 1.390 9 residues pruned to eliminate duplicates Z: 8 9.593 1.797 0.456 0.604 1.000 0.429 CA 1.255 8 residues pruned to eliminate duplicates Z: 11 12.910 1.819 0.368 0.636 1.000 0.800 N 1.443 11 residues pruned to eliminate duplicates Z: 25 15.589 1.810 0.556 0.480 0.875 0.583 CB 1.317 25 residues pruned to eliminate duplicates Z: 33 14.335 1.794 0.530 0.510 0.812 0.438 CB 1.125 33 residues pruned to eliminate duplicates Z: 11 6.671 1.716 0.725 0.632 0.800 0.500 CB 0.787 10 residues pruned to eliminate duplicates Z: 7 6.238 1.630 0.362 0.563 1.000 0.833 CB 1.079 7 residues pruned to eliminate duplicates Z: 18 7.781 1.565 0.682 0.295 0.882 0.471 CB 1.022 18 residues pruned to eliminate duplicates Z: 14 10.688 1.695 0.590 0.483 1.000 0.615 CB 1.118 14 residues pruned to eliminate duplicates Z: 22 12.428 1.629 0.564 0.443 0.905 0.810 CB 1.248 34 residues pruned to eliminate duplicates Z: 13 13.343 1.659 0.343 0.902 1.000 0.917 CB 1.233 13 residues pruned to eliminate duplicates Z: 29 17.096 1.732 0.547 0.585 0.929 0.679 CB 1.196 28 residues pruned to eliminate duplicates Z: 14 10.661 1.661 0.482 0.759 1.000 0.769 CB 0.954 14 residues pruned to eliminate duplicates Z: 10 9.014 1.674 0.402 0.657 0.889 0.889 CB 1.245 10 residues pruned to eliminate duplicates Z: 9 9.723 1.705 0.581 0.779 0.875 0.875 CB 1.140 9 residues pruned to eliminate duplicates Z: 11 8.593 1.695 0.400 0.722 0.900 0.700 CB 1.041 11 residues pruned to eliminate duplicates Z: 15 8.729 1.713 0.360 0.440 0.786 0.571 CB 1.356 9 residues pruned to eliminate duplicates Z: 7 2.406 1.657 0.993 0.394 0.667 0.667 CB 0.499 7 residues pruned to eliminate duplicates Z: 11 4.032 1.703 0.207 0.275 0.800 0.600 CB 1.001 11 residues pruned to eliminate duplicates Z: 11 4.568 1.713 0.211 0.349 0.900 0.600 CB 0.911 11 residues pruned to eliminate duplicates Z: 13 6.122 1.655 0.523 0.274 0.833 0.417 CB 1.087 13 residues pruned to eliminate duplicates Z: 15 10.195 1.656 0.500 0.714 0.857 0.714 CB 1.054 15 residues pruned to eliminate duplicates Z: 14 9.756 1.791 0.493 0.436 0.846 0.692 CB 1.278 14 residues pruned to eliminate duplicates Z: 11 5.683 1.818 0.397 0.234 0.700 0.400 CB 1.377 11 residues pruned to eliminate duplicates Z: 25 8.561 1.740 0.290 0.451 0.750 0.500 CB 1.092 25 residues pruned to eliminate duplicates Z: 8 5.428 1.221 0.713 0.679 1.000 0.429 CB 0.832 8 residues pruned to eliminate duplicates Z: 20 5.544 1.702 0.218 0.408 0.737 0.421 CB 0.917 20 residues pruned to eliminate duplicates Z: 9 2.477 1.663 -0.138 0.356 0.750 0.250 CB 0.953 9 residues pruned to eliminate duplicates Z: 11 4.897 1.707 0.200 0.328 0.800 0.500 CB 1.140 11 residues pruned to eliminate duplicates Z: 18 8.335 1.843 0.265 0.403 0.824 0.529 CB 1.167 22 residues pruned to eliminate duplicates Z: 9 8.338 1.727 0.563 0.548 1.000 0.500 CB 1.043 9 residues pruned to eliminate duplicates Z: 9 6.584 1.696 0.301 0.529 0.875 0.750 CB 1.171 9 residues pruned to eliminate duplicates Z: 8 8.769 1.795 0.311 0.668 1.000 0.857 CB 1.206 8 residues pruned to eliminate duplicates Z: 10 6.482 1.848 0.146 0.396 0.889 0.444 CB 1.282 10 residues pruned to eliminate duplicates Z: 19 9.375 1.754 0.414 0.482 0.833 0.500 CB 1.088 19 residues pruned to eliminate duplicates Z: 20 10.188 1.757 0.404 0.404 0.895 0.474 CB 1.172 21 residues pruned to eliminate duplicates Z: 7 5.531 1.761 0.303 0.467 0.833 0.500 CB 1.221 7 residues pruned to eliminate duplicates Z: 17 9.232 1.884 0.300 0.386 0.875 0.500 CB 1.216 17 residues pruned to eliminate duplicates Z: 21 9.016 1.732 0.331 0.428 0.900 0.500 CB 1.046 20 residues pruned to eliminate duplicates Z: 15 12.303 1.824 0.300 0.723 0.929 0.786 CB 1.222 15 residues pruned to eliminate duplicates Z: 17 10.750 1.859 0.057 0.599 0.938 0.750 CB 1.328 17 residues pruned to eliminate duplicates Z: 11 14.196 1.949 0.479 0.743 0.900 0.700 CB 1.392 11 residues pruned to eliminate duplicates Z: 14 11.025 1.957 0.160 0.672 0.923 0.692 CB 1.245 14 residues pruned to eliminate duplicates Z: 15 12.563 1.922 0.270 0.712 0.929 0.714 CB 1.222 15 residues pruned to eliminate duplicates Z: 19 8.105 1.864 0.206 0.492 0.833 0.611 CB 1.027 19 residues pruned to eliminate duplicates Z: 31 13.196 1.892 0.262 0.465 0.933 0.600 CB 1.120 32 residues pruned to eliminate duplicates Z: 13 10.207 1.859 0.057 0.819 0.917 0.750 CB 1.240 13 residues pruned to eliminate duplicates Z: 15 15.121 1.931 0.288 0.675 1.000 0.500 CB 1.382 14 residues pruned to eliminate duplicates Z: 11 15.140 1.963 0.446 0.837 1.000 0.800 CB 1.262 11 residues pruned to eliminate duplicates Z: 15 10.481 1.900 0.101 0.688 0.929 0.714 CB 1.214 15 residues pruned to eliminate duplicates Z: 23 9.985 1.846 0.253 0.435 0.909 0.455 CB 1.083 23 residues pruned to eliminate duplicates Z: 20 8.875 1.890 0.056 0.501 0.947 0.632 CB 1.075 20 residues pruned to eliminate duplicates Z: 28 10.787 1.875 0.196 0.452 0.926 0.556 CB 1.051 28 residues pruned to eliminate duplicates Z: 11 3.926 1.805 -0.049 0.403 0.900 0.500 CB 0.889 11 residues pruned to eliminate duplicates Z: 20 9.043 1.858 0.377 0.400 0.789 0.579 CB 1.140 14 residues pruned to eliminate duplicates Z: 6 3.891 1.553 0.406 0.374 1.000 0.800 CB 0.912 6 residues pruned to eliminate duplicates Z: 22 7.187 1.771 0.177 0.283 0.905 0.429 CB 1.063 22 residues pruned to eliminate duplicates Z: 12 9.965 1.987 0.457 0.451 0.909 0.727 CB 1.201 12 residues pruned to eliminate duplicates Z: 16 7.582 1.878 0.311 0.308 0.867 0.467 CB 1.135 16 residues pruned to eliminate duplicates Z: 14 8.605 1.948 0.316 0.342 1.000 0.692 CB 1.105 14 residues pruned to eliminate duplicates Z: 13 8.359 1.965 0.443 0.391 0.917 0.667 CB 1.042 13 residues pruned to eliminate duplicates Z: 14 8.978 2.002 0.414 0.365 0.846 0.692 CB 1.202 14 residues pruned to eliminate duplicates Z: 13 10.963 1.937 0.378 0.460 1.000 0.667 CB 1.235 13 residues pruned to eliminate duplicates Z: 14 9.499 1.949 0.509 0.390 0.923 0.615 CB 1.090 14 residues pruned to eliminate duplicates Z: 15 9.394 1.843 0.247 0.401 1.000 0.571 CB 1.213 15 residues pruned to eliminate duplicates Z: 19 13.546 1.739 0.810 0.501 0.889 0.667 CB 1.140 19 residues pruned to eliminate duplicates Z: 6 4.840 1.633 1.013 0.289 0.800 0.600 CB 1.043 Z: 6 4.212 1.769 0.404 0.415 0.800 0.200 CB 1.037 Z: 8 6.172 1.680 0.496 0.801 0.857 0.571 CB 0.833 14 residues pruned to eliminate duplicates Z: 17 10.641 1.811 0.417 0.460 0.812 0.562 CB 1.329 17 residues pruned to eliminate duplicates Z: 25 12.028 1.703 0.651 0.503 0.792 0.583 CB 1.100 18 residues pruned to eliminate duplicates Z: 12 10.508 1.637 0.417 0.826 0.818 0.636 CB 1.259 12 residues pruned to eliminate duplicates Z: 20 17.553 1.808 0.651 0.753 0.895 0.579 CB 1.203 37 residues pruned to eliminate duplicates Z: 13 6.791 1.294 0.470 0.801 0.917 0.750 O 0.864 13 residues pruned to eliminate duplicates Z: 11 6.070 1.574 0.523 0.355 0.800 0.300 CB 1.169 11 residues pruned to eliminate duplicates Z: 22 12.246 1.662 0.531 0.629 0.905 0.619 CB 1.028 22 residues pruned to eliminate duplicates Z: 9 8.969 1.658 0.444 0.764 0.875 0.625 CB 1.198 13 residues pruned to eliminate duplicates Z: 10 13.097 1.608 0.704 0.910 1.000 1.000 CB 1.130 10 residues pruned to eliminate duplicates Z: 13 9.281 1.493 0.752 0.762 0.833 0.333 CB 0.974 13 residues pruned to eliminate duplicates Z: 8 5.417 1.541 0.835 0.556 0.857 0.429 CB 0.800 5 residues pruned to eliminate duplicates Z: 6 3.649 1.275 0.853 0.791 0.800 0.600 CB 0.669 6 residues pruned to eliminate duplicates Z: 15 8.591 1.613 0.249 0.448 1.000 0.643 CB 1.202 15 residues pruned to eliminate duplicates Z: 7 9.082 1.838 0.520 0.682 0.833 0.667 CB 1.348 7 residues pruned to eliminate duplicates Z: 14 7.159 1.735 0.248 0.398 0.923 0.462 CB 1.105 14 residues pruned to eliminate duplicates Z: 8 7.748 1.743 0.540 0.588 0.714 0.429 CB 1.404 Z: 9 12.756 1.556 0.620 0.872 1.000 0.875 CB 1.304 17 residues pruned to eliminate duplicates Z: 16 5.849 1.534 0.472 0.193 0.933 0.333 CB 1.034 Z: 17 12.044 1.470 0.421 0.651 1.000 0.562 CB 1.253 10 residues pruned to eliminate duplicates Z: 9 3.791 1.546 0.309 0.281 1.000 0.375 CB 0.848 9 residues pruned to eliminate duplicates Z: 7 2.603 1.606 0.397 0.172 1.000 0.167 CB 0.705 7 residues pruned to eliminate duplicates Z: 14 7.831 1.705 0.405 0.414 1.000 0.538 CB 0.992 14 residues pruned to eliminate duplicates Z: 6 3.191 1.626 0.199 0.317 0.800 0.400 CB 1.120 6 residues pruned to eliminate duplicates Z: 8 3.953 1.599 0.416 0.265 0.857 0.286 CB 1.007 8 residues pruned to eliminate duplicates Z: 9 9.165 1.830 0.392 0.610 0.875 0.500 CA 1.310 8 residues pruned to eliminate duplicates Z: 7 16.908 2.023 0.684 0.758 1.000 0.500 CB 1.610 7 residues pruned to eliminate duplicates Z: 33 13.992 1.866 0.512 0.337 0.812 0.469 CB 1.289 33 residues pruned to eliminate duplicates Z: 13 16.509 1.958 0.585 0.699 0.917 0.500 CB 1.398 13 residues pruned to eliminate duplicates Z: 11 11.434 1.738 0.416 0.787 0.900 0.800 CA 1.268 11 residues pruned to eliminate duplicates Z: 42 18.539 1.808 0.642 0.458 0.829 0.512 CB 1.227 42 residues pruned to eliminate duplicates Z: 31 19.768 1.896 0.735 0.546 0.900 0.633 CB 1.166 30 residues pruned to eliminate duplicates Z: 17 15.085 1.951 0.573 0.732 0.875 0.500 CB 1.141 17 residues pruned to eliminate duplicates Z: 34 19.337 1.855 0.633 0.550 0.939 0.636 CB 1.127 33 residues pruned to eliminate duplicates Z: 17 19.881 1.919 0.546 0.827 1.000 0.438 CB 1.263 20 residues pruned to eliminate duplicates Z: 16 18.679 2.036 0.580 0.750 0.867 0.467 CB 1.385 16 residues pruned to eliminate duplicates Z: 35 21.459 1.861 0.618 0.506 0.941 0.588 CB 1.291 35 residues pruned to eliminate duplicates Z: 18 10.165 1.876 0.570 0.420 0.824 0.471 CB 1.104 18 residues pruned to eliminate duplicates Z: 36 15.584 1.889 0.622 0.453 0.829 0.629 CB 1.089 36 residues pruned to eliminate duplicates Z: 24 13.593 1.806 0.622 0.430 0.870 0.652 CB 1.197 24 residues pruned to eliminate duplicates Z: 17 11.618 1.960 0.661 0.600 0.750 0.375 CB 1.081 17 residues pruned to eliminate duplicates Z: 40 17.775 1.839 0.461 0.460 0.897 0.590 CB 1.230 39 residues pruned to eliminate duplicates Z: 12 8.904 1.512 0.857 0.521 0.909 0.909 CB 1.030 12 residues pruned to eliminate duplicates Z: 30 22.495 1.924 0.593 0.581 0.931 0.655 CB 1.355 30 residues pruned to eliminate duplicates Z: 31 16.164 1.895 0.650 0.557 0.800 0.500 CB 1.116 31 residues pruned to eliminate duplicates Z: 29 14.398 1.922 0.770 0.380 0.857 0.571 CB 1.060 29 residues pruned to eliminate duplicates Z: 21 8.996 1.844 0.580 0.275 0.800 0.450 CB 1.113 Z: 6 3.701 1.522 0.303 0.395 1.000 0.600 CA 0.933 6 residues pruned to eliminate duplicates Z: 36 19.437 1.932 0.586 0.508 0.857 0.657 CB 1.241 57 residues pruned to eliminate duplicates Z: 29 16.348 1.867 0.716 0.524 0.821 0.607 CB 1.147 29 residues pruned to eliminate duplicates 754 residues left after pruning, divided into chains as follows: A: 6 B: 10 C: 10 D: 9 E: 6 F: 9 G: 9 H: 18 I: 17 J: 6 K: 6 L: 41 M: 7 N: 12 O: 38 P: 38 Q: 15 R: 16 S: 12 T: 17 U: 17 V: 49 W: 32 X: 6 Y: 28 Z: 12 Z: 41 Z: 6 Z: 49 Z: 30 Z: 25 Z: 6 Z: 82 Z: 69 CC for partial structure against native data = 28.55 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.458, Connect. = 0.662 for dens.mod. cycle 1 = 0.302, Contrast = 0.532, Connect. = 0.688 for dens.mod. cycle 2 = 0.302, Contrast = 0.627, Connect. = 0.724 for dens.mod. cycle 3 = 0.302, Contrast = 0.641, Connect. = 0.728 for dens.mod. cycle 4 = 0.302, Contrast = 0.654, Connect. = 0.732 for dens.mod. cycle 5 = 0.302, Contrast = 0.659, Connect. = 0.734 for dens.mod. cycle 6 = 0.302, Contrast = 0.664, Connect. = 0.736 for dens.mod. cycle 7 = 0.302, Contrast = 0.666, Connect. = 0.738 for dens.mod. cycle 8 = 0.302, Contrast = 0.668, Connect. = 0.740 for dens.mod. cycle 9 = 0.302, Contrast = 0.669, Connect. = 0.741 for dens.mod. cycle 10 TimeTaking 135.07