null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:28:31 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: ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.ins Phases from ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.phi Native data from ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.hkl Listing output to ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.lst Phases output to ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.phs Poly-Ala trace output to ./2okc-2.2-parrot-hancs/2okc-2.2-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 21 21 21 Allowed origin shift code: 4 46493 Reflections read from file ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.phi 46493 Reflections read from file ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.hkl 46493 Unique data, highest resolution = 2.200 Angstroms Anisotropic scaling: intensities multiplied by 0.000195h^2 +0.000025k^2 -0.000035l^2 +0.000000kl +0.000000hl +0.000000hk 3424 Reflections with d > 2.400 and 0 in range 2.400 > d > 2.200 added Density sharpening factor set to 0.45 Fourier grid = 128 x 128 x 53 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.569 ** -f missing ?? ** = 0.300, Contrast = 0.371, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.450, Connect. = 0.698 for dens.mod. cycle 2 = 0.300, Contrast = 0.559, Connect. = 0.729 for dens.mod. cycle 3 = 0.300, Contrast = 0.589, Connect. = 0.739 for dens.mod. cycle 4 = 0.300, Contrast = 0.606, Connect. = 0.745 for dens.mod. cycle 5 = 0.300, Contrast = 0.617, Connect. = 0.748 for dens.mod. cycle 6 = 0.300, Contrast = 0.625, Connect. = 0.751 for dens.mod. cycle 7 = 0.300, Contrast = 0.631, Connect. = 0.753 for dens.mod. cycle 8 = 0.300, Contrast = 0.635, Connect. = 0.755 for dens.mod. cycle 9 = 0.300, Contrast = 0.638, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2899 peaks > 0.5 sigma used to seed fragment search Space for about 1084 unique residues taking solvent into account 813 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 17.868 1.863 0.554 0.881 0.917 0.833 CA 1.407 B: 9 16.994 2.128 0.344 0.914 1.000 0.875 CB 1.486 9 residues pruned to eliminate duplicates C: 21 28.445 2.095 0.625 0.946 1.000 0.900 CB 1.292 D: 15 20.650 1.987 0.506 0.912 1.000 1.000 CB 1.306 E: 12 24.936 1.981 0.986 0.878 0.909 0.727 CB 1.526 12 residues pruned to eliminate duplicates F: 14 20.238 2.021 0.477 0.889 1.000 0.846 CA 1.355 14 residues pruned to eliminate duplicates G: 10 16.741 1.910 0.625 0.933 1.000 1.000 CB 1.255 H: 23 26.517 1.976 0.713 0.913 0.955 0.864 CA 1.239 23 residues pruned to eliminate duplicates I: 12 21.230 2.030 0.636 0.873 0.909 0.636 CA 1.544 J: 19 27.173 2.170 0.546 0.933 1.000 0.944 CA 1.332 19 residues pruned to eliminate duplicates K: 9 23.089 1.938 1.143 0.896 1.000 0.750 CB 1.408 L: 12 17.544 1.980 0.609 0.917 1.000 0.909 CB 1.171 M: 21 25.641 2.029 0.657 0.889 1.000 0.850 CB 1.228 21 residues pruned to eliminate duplicates N: 15 21.262 1.928 0.652 0.914 0.929 0.714 CA 1.359 15 residues pruned to eliminate duplicates O: 13 21.756 1.958 0.869 0.873 0.917 0.917 CA 1.363 13 residues pruned to eliminate duplicates P: 24 38.726 2.070 1.018 0.926 1.000 0.870 CA 1.355 21 residues pruned to eliminate duplicates Q: 12 26.791 2.033 1.001 0.898 1.000 0.818 CB 1.420 12 residues pruned to eliminate duplicates R: 25 37.257 2.037 1.029 0.924 1.000 0.917 CA 1.293 25 residues pruned to eliminate duplicates S: 15 16.678 1.903 0.774 0.508 0.929 0.643 CB 1.411 T: 7 4.453 1.637 0.320 0.628 0.833 0.833 CB 0.895 U: 19 24.575 1.801 0.812 0.868 0.944 0.833 CB 1.374 10 residues pruned to eliminate duplicates V: 14 15.993 1.701 0.826 0.879 1.000 0.692 CB 1.036 14 residues pruned to eliminate duplicates W: 24 35.351 2.038 1.145 0.885 0.957 0.826 CA 1.273 24 residues pruned to eliminate duplicates X: 20 28.850 2.155 0.676 0.916 1.000 0.895 CA 1.294 20 residues pruned to eliminate duplicates Y: 14 26.610 1.967 0.993 0.905 0.923 0.769 CA 1.451 14 residues pruned to eliminate duplicates Z: 13 20.717 1.832 0.871 0.890 1.000 0.750 CB 1.256 Z: 24 27.231 1.937 0.886 0.897 1.000 0.826 CA 1.112 24 residues pruned to eliminate duplicates Z: 14 6.664 1.450 0.833 0.238 0.769 0.385 N 1.225 Z: 15 21.397 1.947 0.755 0.944 1.000 0.929 CB 1.160 12 residues pruned to eliminate duplicates Z: 17 27.756 1.886 0.881 0.932 1.000 0.875 CB 1.367 18 residues pruned to eliminate duplicates Z: 8 9.081 1.830 0.426 0.648 0.857 0.571 CB 1.337 Z: 15 22.894 1.899 0.891 0.895 1.000 0.643 CA 1.221 Z: 25 30.619 1.930 1.172 0.844 0.875 0.792 CB 1.268 25 residues pruned to eliminate duplicates Z: 19 16.033 1.856 0.513 0.876 1.000 0.889 CB 0.978 19 residues pruned to eliminate duplicates Z: 7 9.055 1.774 0.306 0.839 1.000 1.000 CB 1.191 Z: 14 25.501 1.940 1.060 0.846 1.000 0.231 CA 1.315 Z: 12 22.492 2.025 0.889 0.886 0.909 0.818 CB 1.407 12 residues pruned to eliminate duplicates Z: 12 26.752 2.045 0.894 0.938 1.000 1.000 CA 1.449 12 residues pruned to eliminate duplicates Z: 15 21.176 1.849 0.673 0.891 1.000 0.857 CA 1.315 15 residues pruned to eliminate duplicates Z: 11 16.951 1.841 0.669 0.872 0.900 0.700 CA 1.412 9 residues pruned to eliminate duplicates Z: 17 32.907 1.891 1.158 0.894 1.000 0.750 CB 1.446 18 residues pruned to eliminate duplicates Z: 16 9.439 1.684 0.712 0.786 0.867 0.733 CB 0.758 Z: 6 5.722 1.710 1.034 0.499 0.800 0.600 CB 0.921 6 residues pruned to eliminate duplicates Z: 15 19.352 1.884 0.761 0.917 0.929 0.786 CB 1.184 Z: 6 3.691 1.739 0.236 0.500 0.600 0.600 N 1.279 Z: 32 24.731 1.900 0.753 0.591 0.935 0.710 CB 1.306 15 residues pruned to eliminate duplicates Z: 25 38.354 1.977 1.219 0.910 1.000 0.750 CA 1.266 24 residues pruned to eliminate duplicates Z: 10 13.117 1.737 0.830 0.768 0.889 0.444 CB 1.221 9 residues pruned to eliminate duplicates Z: 13 16.880 1.744 0.708 0.801 0.917 0.750 CB 1.372 12 residues pruned to eliminate duplicates Z: 19 20.289 1.684 0.608 0.904 0.944 0.778 CA 1.332 Z: 14 22.484 1.807 1.049 0.895 1.000 0.923 CB 1.208 13 residues pruned to eliminate duplicates Z: 13 20.774 1.791 1.066 0.892 0.917 0.750 CB 1.271 13 residues pruned to eliminate duplicates Z: 6 9.167 1.624 1.034 0.800 0.800 0.400 CB 1.193 Z: 24 32.707 2.015 0.896 0.937 0.957 0.870 CA 1.298 24 residues pruned to eliminate duplicates Z: 14 20.128 1.930 0.881 0.887 0.846 0.615 CB 1.310 14 residues pruned to eliminate duplicates Z: 6 6.635 1.645 0.664 0.882 1.000 0.800 CB 0.785 Z: 15 28.593 1.900 0.934 0.909 1.000 0.857 CA 1.475 15 residues pruned to eliminate duplicates Z: 16 30.937 1.889 0.954 0.930 1.000 0.800 CB 1.513 16 residues pruned to eliminate duplicates Z: 15 29.004 2.019 1.080 0.917 1.000 0.786 CA 1.303 14 residues pruned to eliminate duplicates Z: 13 21.780 1.989 1.040 0.878 1.000 0.667 CB 1.125 12 residues pruned to eliminate duplicates Z: 15 16.602 1.808 0.429 0.910 1.000 0.857 CA 1.218 15 residues pruned to eliminate duplicates Z: 13 21.588 1.932 0.877 0.852 1.000 0.833 CA 1.271 14 residues pruned to eliminate duplicates Z: 26 16.875 1.687 0.548 0.509 0.920 0.600 CB 1.392 Z: 14 26.195 2.013 1.000 0.940 0.923 0.769 CB 1.358 14 residues pruned to eliminate duplicates Z: 11 13.350 1.737 0.752 0.807 0.900 0.700 CB 1.180 11 residues pruned to eliminate duplicates Z: 14 9.015 1.796 0.625 0.304 0.846 0.538 CB 1.259 Z: 29 23.104 1.954 0.590 0.568 0.929 0.643 CB 1.417 29 residues pruned to eliminate duplicates Z: 13 15.754 1.983 0.393 0.933 1.000 0.833 CB 1.149 13 residues pruned to eliminate duplicates Z: 16 16.914 1.799 0.867 0.873 0.933 0.800 CB 1.015 15 residues pruned to eliminate duplicates Z: 16 15.360 1.778 0.774 0.807 0.933 0.733 CB 1.031 Z: 14 30.053 2.019 1.199 0.927 1.000 0.538 CA 1.316 15 residues pruned to eliminate duplicates Z: 15 13.336 1.656 0.716 0.531 0.929 0.786 CB 1.310 Z: 18 23.988 1.856 0.712 0.905 1.000 0.824 CB 1.303 17 residues pruned to eliminate duplicates Z: 15 22.086 1.970 0.869 0.913 0.929 0.714 CB 1.222 15 residues pruned to eliminate duplicates Z: 13 27.279 1.918 1.035 0.896 1.000 0.667 CB 1.445 12 residues pruned to eliminate duplicates Z: 27 20.384 1.908 0.730 0.516 0.846 0.538 CB 1.408 14 residues pruned to eliminate duplicates Z: 16 19.115 1.711 0.714 0.887 1.000 0.667 CA 1.214 17 residues pruned to eliminate duplicates Z: 10 11.492 1.817 0.503 0.638 0.889 0.889 CB 1.387 Z: 12 25.451 2.083 0.769 0.907 1.000 0.909 CA 1.479 12 residues pruned to eliminate duplicates Z: 18 20.829 1.872 0.932 0.925 1.000 0.706 CB 0.980 16 residues pruned to eliminate duplicates Z: 15 22.878 2.024 0.749 0.871 0.929 0.571 CA 1.356 15 residues pruned to eliminate duplicates Z: 14 19.476 1.783 0.854 0.876 1.000 0.692 CB 1.187 14 residues pruned to eliminate duplicates Z: 14 18.218 1.777 0.720 0.844 1.000 0.692 CB 1.230 14 residues pruned to eliminate duplicates Z: 11 9.791 1.737 0.877 0.510 0.800 0.600 CA 1.175 Z: 26 29.084 1.963 0.810 0.904 0.960 0.760 CA 1.215 26 residues pruned to eliminate duplicates Z: 19 16.542 1.897 0.720 0.864 0.944 0.722 CB 0.928 19 residues pruned to eliminate duplicates Z: 16 19.029 1.876 1.002 0.929 1.000 0.933 CB 0.915 16 residues pruned to eliminate duplicates Z: 6 5.429 1.592 0.338 0.799 1.000 0.600 CB 0.877 6 residues pruned to eliminate duplicates Z: 14 17.710 1.713 0.814 0.873 1.000 0.846 CB 1.152 14 residues pruned to eliminate duplicates Z: 6 7.066 1.320 1.098 0.589 1.000 0.600 CA 1.048 6 residues pruned to eliminate duplicates Z: 17 19.615 1.692 0.697 0.898 1.000 0.750 CB 1.222 18 residues pruned to eliminate duplicates Z: 18 18.291 1.675 0.615 0.904 0.941 0.765 CA 1.241 17 residues pruned to eliminate duplicates Z: 12 5.535 1.792 0.508 0.874 0.909 0.909 CB 0.495 12 residues pruned to eliminate duplicates Z: 13 13.210 1.708 0.494 0.751 0.917 0.583 CB 1.303 13 residues pruned to eliminate duplicates Z: 6 9.076 1.677 0.559 0.829 1.000 0.800 CB 1.168 6 residues pruned to eliminate duplicates Z: 30 20.193 1.943 0.864 0.667 0.897 0.517 CB 0.989 23 residues pruned to eliminate duplicates Z: 17 8.802 1.739 0.411 0.394 0.750 0.625 CB 1.337 Z: 8 10.537 1.847 1.031 0.697 0.857 0.429 CB 1.035 8 residues pruned to eliminate duplicates Z: 20 18.894 1.853 0.489 0.585 0.947 0.579 CB 1.529 9 residues pruned to eliminate duplicates Z: 15 19.510 1.902 0.761 0.862 0.929 0.643 CB 1.231 15 residues pruned to eliminate duplicates Z: 13 15.802 1.822 0.903 0.839 1.000 0.833 CB 0.983 13 residues pruned to eliminate duplicates Z: 15 20.750 1.837 0.742 0.834 1.000 0.714 CB 1.299 16 residues pruned to eliminate duplicates Z: 12 18.573 1.908 0.904 0.910 1.000 0.818 CB 1.093 12 residues pruned to eliminate duplicates Z: 16 19.472 1.690 0.785 0.877 0.933 0.600 CA 1.297 17 residues pruned to eliminate duplicates Z: 16 30.400 1.895 1.059 0.920 1.000 0.667 CB 1.416 16 residues pruned to eliminate duplicates Z: 11 9.360 1.837 0.381 0.358 1.000 0.600 CB 1.359 11 residues pruned to eliminate duplicates Z: 13 18.198 1.709 0.831 0.896 1.000 0.833 CB 1.203 Z: 18 18.953 1.611 0.758 0.878 1.000 0.882 CA 1.178 Z: 21 9.314 1.699 0.477 0.396 0.900 0.600 CB 1.030 11 residues pruned to eliminate duplicates Z: 15 27.727 1.923 0.991 0.912 1.000 0.786 CB 1.370 15 residues pruned to eliminate duplicates Z: 11 7.916 1.879 0.747 0.486 0.900 0.600 CB 0.859 11 residues pruned to eliminate duplicates Z: 7 3.662 1.188 0.795 0.688 1.000 0.500 N 0.590 Z: 22 24.801 1.930 0.786 0.823 1.000 0.857 CB 1.187 23 residues pruned to eliminate duplicates Z: 13 20.357 1.803 0.747 0.875 1.000 0.833 CA 1.357 13 residues pruned to eliminate duplicates Z: 14 23.917 2.047 0.916 0.876 1.000 0.846 CA 1.230 14 residues pruned to eliminate duplicates Z: 17 11.746 1.686 0.522 0.455 0.875 0.562 N 1.370 15 residues pruned to eliminate duplicates Z: 34 24.696 1.959 0.701 0.590 0.879 0.697 CB 1.347 34 residues pruned to eliminate duplicates Z: 19 9.252 1.669 0.363 0.440 0.889 0.444 CB 1.147 Z: 21 36.206 2.104 1.138 0.918 1.000 0.850 CA 1.269 21 residues pruned to eliminate duplicates Z: 8 11.310 1.788 0.753 0.836 0.857 0.714 CB 1.190 8 residues pruned to eliminate duplicates Z: 11 5.814 1.818 0.223 0.496 0.800 0.400 CB 1.038 6 residues pruned to eliminate duplicates Z: 8 6.924 1.526 0.743 0.569 1.000 0.286 CB 0.920 Z: 11 7.059 1.767 0.797 0.349 0.900 0.500 CB 0.920 9 residues pruned to eliminate duplicates Z: 19 17.102 1.774 0.788 0.698 0.833 0.667 CB 1.273 19 residues pruned to eliminate duplicates Z: 14 22.467 2.015 0.625 0.912 1.000 0.846 CA 1.348 14 residues pruned to eliminate duplicates Z: 16 9.438 1.587 0.366 0.629 0.933 0.667 CB 1.067 16 residues pruned to eliminate duplicates Z: 15 13.408 1.863 0.642 0.536 0.857 0.500 CB 1.319 19 residues pruned to eliminate duplicates Z: 9 4.114 1.543 0.496 0.230 0.750 0.375 CB 1.151 Z: 28 24.835 1.921 0.786 0.568 0.963 0.630 CB 1.354 26 residues pruned to eliminate duplicates Z: 14 14.986 1.820 1.088 0.908 0.923 0.231 CB 0.841 14 residues pruned to eliminate duplicates Z: 14 17.049 1.928 0.538 0.840 0.846 0.462 CA 1.406 14 residues pruned to eliminate duplicates Z: 15 25.367 1.930 1.106 0.925 1.000 0.500 CB 1.171 15 residues pruned to eliminate duplicates Z: 6 4.537 1.500 0.183 0.642 1.000 0.800 CB 1.001 Z: 18 18.426 1.951 0.701 0.911 1.000 0.824 CB 0.954 18 residues pruned to eliminate duplicates Z: 9 11.608 1.641 0.785 0.742 1.000 0.875 CB 1.128 8 residues pruned to eliminate duplicates Z: 32 23.169 1.889 0.766 0.564 0.871 0.613 CB 1.346 32 residues pruned to eliminate duplicates Z: 15 21.737 1.933 0.697 0.915 0.929 0.786 CA 1.348 15 residues pruned to eliminate duplicates Z: 14 9.078 1.864 0.496 0.462 0.846 0.692 CB 1.110 18 residues pruned to eliminate duplicates Z: 6 13.042 1.891 0.741 0.795 1.000 0.600 CB 1.368 6 residues pruned to eliminate duplicates Z: 14 14.253 1.896 0.610 0.859 0.846 0.846 CB 1.126 14 residues pruned to eliminate duplicates Z: 8 13.471 1.832 1.162 0.808 0.857 0.714 CB 1.146 9 residues pruned to eliminate duplicates Z: 23 43.742 2.054 1.315 0.943 1.000 0.773 CA 1.359 25 residues pruned to eliminate duplicates Z: 14 19.084 2.027 0.525 0.890 0.923 0.692 CB 1.334 14 residues pruned to eliminate duplicates Z: 8 4.676 1.841 0.500 0.301 0.714 0.571 CB 1.119 Z: 7 3.110 1.476 0.305 0.435 0.667 0.500 O 1.057 7 residues pruned to eliminate duplicates Z: 8 14.446 1.878 0.682 0.862 1.000 0.714 CA 1.270 8 residues pruned to eliminate duplicates Z: 13 20.946 1.784 0.919 0.872 1.000 0.833 CB 1.288 13 residues pruned to eliminate duplicates Z: 12 26.087 1.983 0.926 0.916 0.909 0.818 CB 1.600 12 residues pruned to eliminate duplicates Z: 6 7.739 1.879 0.489 0.493 0.800 0.600 N 1.557 6 residues pruned to eliminate duplicates Z: 18 18.498 1.664 0.694 0.888 0.941 0.824 CA 1.218 19 residues pruned to eliminate duplicates Z: 8 6.173 1.498 0.346 0.571 0.857 0.429 O 1.260 Z: 6 9.332 1.912 0.232 0.883 1.000 1.000 CB 1.281 6 residues pruned to eliminate duplicates Z: 15 21.447 1.983 0.639 0.912 1.000 1.000 CA 1.249 15 residues pruned to eliminate duplicates Z: 18 16.349 1.582 0.988 0.901 0.824 0.588 CA 1.093 16 residues pruned to eliminate duplicates Z: 34 21.708 1.922 0.496 0.533 0.970 0.576 CB 1.312 34 residues pruned to eliminate duplicates Z: 6 4.553 1.740 0.469 0.514 1.000 0.400 CB 0.786 Z: 14 5.697 1.876 0.114 0.486 0.846 0.615 CB 0.907 6 residues pruned to eliminate duplicates Z: 17 9.516 1.665 0.370 0.424 0.812 0.625 CB 1.388 Z: 11 8.163 1.641 0.337 0.810 1.000 0.700 CB 0.899 Z: 6 5.227 1.544 0.701 0.624 0.800 0.400 CB 0.989 Z: 14 20.915 1.992 0.589 0.871 1.000 0.846 CA 1.337 14 residues pruned to eliminate duplicates Z: 15 6.640 1.724 0.348 0.433 0.786 0.429 CB 1.042 Z: 18 18.537 1.618 0.807 0.871 0.941 0.706 CA 1.191 18 residues pruned to eliminate duplicates Z: 15 6.333 1.681 0.544 0.473 0.714 0.500 CB 0.938 15 residues pruned to eliminate duplicates Z: 10 9.224 1.693 0.417 0.480 1.000 0.778 CB 1.307 10 residues pruned to eliminate duplicates Z: 11 11.009 1.835 0.911 0.902 1.000 0.900 CB 0.708 11 residues pruned to eliminate duplicates Z: 7 5.807 1.729 0.276 0.557 0.833 0.833 CB 1.221 7 residues pruned to eliminate duplicates Z: 16 21.713 1.867 0.809 0.937 1.000 0.800 CB 1.155 16 residues pruned to eliminate duplicates Z: 15 19.730 1.889 0.992 0.801 0.929 0.786 CB 1.159 15 residues pruned to eliminate duplicates Z: 14 25.123 1.871 0.938 0.846 0.923 0.692 CA 1.547 14 residues pruned to eliminate duplicates Z: 9 7.584 1.679 0.731 0.830 0.750 0.375 CB 0.924 8 residues pruned to eliminate duplicates Z: 32 23.633 1.910 0.807 0.499 0.871 0.581 CB 1.414 32 residues pruned to eliminate duplicates Z: 6 6.243 1.832 0.509 0.509 0.800 0.800 CA 1.250 6 residues pruned to eliminate duplicates Z: 12 6.923 1.660 0.275 0.331 0.909 0.364 N 1.305 12 residues pruned to eliminate duplicates Z: 14 8.974 1.593 0.569 0.540 0.692 0.462 CB 1.383 6 residues pruned to eliminate duplicates Z: 16 21.997 1.943 0.737 0.852 1.000 0.667 CA 1.245 14 residues pruned to eliminate duplicates Z: 15 20.255 1.886 0.868 0.902 0.929 0.500 CB 1.180 17 residues pruned to eliminate duplicates Z: 8 8.201 1.757 0.291 0.730 1.000 0.714 CA 1.110 Z: 25 42.020 2.031 1.327 0.948 1.000 0.792 CB 1.253 25 residues pruned to eliminate duplicates Z: 11 6.261 1.577 0.194 0.485 0.900 0.500 N 1.186 11 residues pruned to eliminate duplicates Z: 8 6.372 1.717 0.695 0.591 0.857 0.714 CB 0.885 8 residues pruned to eliminate duplicates Z: 11 10.177 1.922 0.621 0.603 0.700 0.500 CB 1.337 7 residues pruned to eliminate duplicates Z: 17 6.928 1.630 0.589 0.195 0.750 0.500 CB 1.284 Z: 10 5.080 1.447 0.452 0.511 0.778 0.444 CB 1.025 Z: 6 6.348 1.781 0.037 0.700 1.000 0.800 CB 1.281 6 residues pruned to eliminate duplicates Z: 8 7.725 1.774 0.124 0.735 0.857 0.857 CB 1.383 8 residues pruned to eliminate duplicates Z: 14 16.128 1.631 0.753 0.930 1.000 0.692 CA 1.094 14 residues pruned to eliminate duplicates Z: 19 18.150 1.638 0.852 0.866 0.944 0.667 CA 1.093 18 residues pruned to eliminate duplicates Z: 8 3.857 1.712 0.505 0.310 0.714 0.429 CB 0.978 Z: 10 11.019 1.672 0.339 0.818 0.889 0.778 CA 1.400 10 residues pruned to eliminate duplicates Z: 38 22.514 1.844 0.523 0.558 0.946 0.622 CB 1.317 38 residues pruned to eliminate duplicates Z: 18 20.379 1.698 0.749 0.927 0.941 0.882 CB 1.239 17 residues pruned to eliminate duplicates Z: 17 25.310 1.873 0.968 0.890 0.938 0.812 CB 1.317 16 residues pruned to eliminate duplicates Z: 7 3.128 1.792 -0.067 0.449 0.833 0.333 CB 0.966 7 residues pruned to eliminate duplicates Z: 15 18.141 1.902 0.674 0.906 0.929 0.714 CB 1.166 15 residues pruned to eliminate duplicates Z: 25 37.760 1.999 1.204 0.885 0.958 0.792 CB 1.318 25 residues pruned to eliminate duplicates Z: 9 4.062 1.487 0.410 0.185 0.875 0.500 N 1.144 9 residues pruned to eliminate duplicates Z: 8 4.512 1.553 0.733 0.534 0.714 0.571 CB 0.859 5 residues pruned to eliminate duplicates Z: 13 12.796 1.460 0.882 0.656 0.917 0.583 O 1.268 16 residues pruned to eliminate duplicates Z: 44 19.162 1.811 0.412 0.492 0.930 0.581 CB 1.238 44 residues pruned to eliminate duplicates Z: 6 7.167 1.653 0.322 0.660 1.000 0.600 O 1.264 6 residues pruned to eliminate duplicates Z: 9 6.557 1.705 0.101 0.514 0.875 0.250 N 1.391 9 residues pruned to eliminate duplicates Z: 7 6.898 1.670 0.976 0.847 0.833 0.833 CB 0.761 Z: 36 21.442 1.910 0.609 0.548 0.914 0.686 CB 1.231 36 residues pruned to eliminate duplicates Z: 24 11.658 1.695 0.371 0.351 0.870 0.609 CB 1.415 24 residues pruned to eliminate duplicates Z: 12 13.918 1.596 0.893 0.832 0.909 0.636 CA 1.147 12 residues pruned to eliminate duplicates Z: 15 17.053 1.864 0.771 0.913 0.929 0.500 CB 1.052 15 residues pruned to eliminate duplicates Z: 8 6.522 1.474 0.399 0.823 0.857 0.571 CB 1.054 8 residues pruned to eliminate duplicates Z: 23 9.823 1.612 0.589 0.350 0.864 0.591 CB 1.114 15 residues pruned to eliminate duplicates Z: 18 19.961 1.694 0.682 0.892 0.941 0.765 CB 1.297 18 residues pruned to eliminate duplicates Z: 16 21.295 1.816 1.131 0.819 0.933 0.667 CB 1.154 15 residues pruned to eliminate duplicates Z: 21 7.839 1.663 0.131 0.345 0.900 0.600 O 1.225 Z: 6 4.059 1.635 0.112 0.570 1.000 0.400 O 0.933 6 residues pruned to eliminate duplicates Z: 8 7.213 1.696 0.386 0.722 1.000 0.714 CB 0.949 8 residues pruned to eliminate duplicates Z: 11 10.534 1.641 0.308 0.909 0.900 0.600 CA 1.224 11 residues pruned to eliminate duplicates Z: 10 5.953 1.521 0.775 0.311 0.778 0.333 N 1.165 Z: 7 3.133 1.264 0.700 0.669 1.000 0.500 N 0.509 Z: 16 19.847 1.620 1.029 0.884 1.000 0.667 CA 1.126 16 residues pruned to eliminate duplicates Z: 6 12.710 1.739 0.956 0.780 1.000 0.800 CA 1.306 5 residues pruned to eliminate duplicates Z: 9 7.024 1.598 0.701 0.386 0.875 0.750 N 1.179 Z: 7 5.141 1.595 0.230 0.507 1.000 0.667 CB 1.063 Z: 24 36.273 2.025 1.080 0.939 0.957 0.913 CA 1.305 24 residues pruned to eliminate duplicates Z: 13 20.306 1.696 0.939 0.934 1.000 0.583 CB 1.243 13 residues pruned to eliminate duplicates Z: 6 3.951 1.452 0.641 0.339 0.800 0.400 CB 1.105 Z: 13 23.064 1.821 1.062 0.917 1.000 0.750 CB 1.251 12 residues pruned to eliminate duplicates Z: 16 12.406 1.873 0.253 0.485 1.000 0.733 CB 1.387 18 residues pruned to eliminate duplicates Z: 7 9.166 1.769 0.549 0.875 1.000 0.833 CB 0.993 7 residues pruned to eliminate duplicates Z: 9 4.188 1.293 0.059 0.758 0.875 0.500 CA 0.982 9 residues pruned to eliminate duplicates Z: 13 19.730 1.681 0.873 0.922 1.000 0.833 CA 1.272 13 residues pruned to eliminate duplicates Z: 13 18.337 1.676 0.834 0.926 1.000 0.750 CA 1.208 13 residues pruned to eliminate duplicates Z: 19 17.650 1.612 0.620 0.869 0.944 0.722 CA 1.231 19 residues pruned to eliminate duplicates Z: 13 7.642 1.642 0.326 0.440 0.917 0.667 CA 1.176 13 residues pruned to eliminate duplicates Z: 11 22.823 1.996 1.450 0.909 0.900 0.400 CB 1.164 11 residues pruned to eliminate duplicates Z: 11 6.600 1.709 0.545 0.330 0.800 0.500 CB 1.190 12 residues pruned to eliminate duplicates Z: 15 13.972 1.624 0.895 0.893 1.000 0.714 CA 0.871 7 residues pruned to eliminate duplicates Z: 10 3.611 1.338 0.271 0.422 0.889 0.444 CB 0.863 6 residues pruned to eliminate duplicates Z: 11 9.197 1.785 0.838 0.878 1.000 0.600 CB 0.643 12 residues pruned to eliminate duplicates Z: 19 20.153 1.840 0.612 0.927 1.000 0.944 CB 1.122 19 residues pruned to eliminate duplicates Z: 10 22.588 1.892 1.207 0.886 1.000 0.778 CB 1.301 10 residues pruned to eliminate duplicates Z: 16 24.530 1.848 1.099 0.796 0.933 0.533 CB 1.350 16 residues pruned to eliminate duplicates Z: 14 11.757 1.596 0.925 0.892 0.846 0.846 CB 0.901 10 residues pruned to eliminate duplicates Z: 21 20.644 1.780 1.049 0.614 0.950 0.450 CB 1.196 20 residues pruned to eliminate duplicates Z: 15 18.449 1.866 0.850 0.893 0.929 0.714 CB 1.104 15 residues pruned to eliminate duplicates Z: 14 24.716 1.948 1.240 0.871 1.000 0.692 CB 1.146 16 residues pruned to eliminate duplicates Z: 16 20.265 2.009 0.757 0.747 0.867 0.733 CB 1.372 20 residues pruned to eliminate duplicates Z: 11 12.076 1.519 0.930 0.904 1.000 0.900 CB 0.927 Z: 10 3.319 1.443 0.233 0.309 0.778 0.333 CB 0.988 Z: 12 22.390 1.878 1.095 0.938 1.000 0.909 CB 1.193 13 residues pruned to eliminate duplicates Z: 10 11.855 1.852 0.638 0.890 1.000 0.778 CB 0.937 8 residues pruned to eliminate duplicates Z: 14 24.506 1.868 0.937 0.904 1.000 0.846 CB 1.337 14 residues pruned to eliminate duplicates Z: 7 8.673 1.773 0.759 0.601 0.833 0.667 CB 1.238 7 residues pruned to eliminate duplicates Z: 11 8.570 1.459 0.778 0.853 0.900 0.800 CB 0.858 9 residues pruned to eliminate duplicates Z: 9 12.172 1.829 0.345 0.865 1.000 0.750 CA 1.282 9 residues pruned to eliminate duplicates Z: 23 6.974 1.483 0.443 0.341 0.909 0.682 CB 0.909 14 residues pruned to eliminate duplicates Z: 20 20.398 1.861 1.102 0.919 1.000 0.737 CB 0.843 20 residues pruned to eliminate duplicates Z: 10 7.382 1.817 0.238 0.448 0.889 0.556 CB 1.299 14 residues pruned to eliminate duplicates Z: 12 8.085 1.639 0.363 0.427 1.000 0.545 CB 1.176 14 residues pruned to eliminate duplicates Z: 14 9.529 1.656 0.653 0.446 0.923 0.462 N 1.106 Z: 17 11.305 1.733 0.614 0.393 0.875 0.500 O 1.294 21 residues pruned to eliminate duplicates Z: 24 35.741 2.018 1.108 0.930 0.957 0.913 CA 1.280 24 residues pruned to eliminate duplicates Z: 15 13.666 1.544 0.779 0.801 1.000 0.786 CB 1.022 15 residues pruned to eliminate duplicates Z: 19 18.299 1.641 0.577 0.900 1.000 0.833 CB 1.191 19 residues pruned to eliminate duplicates Z: 15 15.901 1.530 0.917 0.734 1.000 0.786 CB 1.174 15 residues pruned to eliminate duplicates Z: 8 2.373 1.444 0.457 0.390 0.571 0.429 N 0.838 Z: 14 8.776 1.739 0.388 0.545 0.846 0.462 CB 1.140 14 residues pruned to eliminate duplicates Z: 24 29.967 2.059 0.891 0.899 0.957 0.739 CA 1.200 24 residues pruned to eliminate duplicates Z: 18 16.492 1.607 0.770 0.864 1.000 0.824 CA 1.031 18 residues pruned to eliminate duplicates Z: 14 14.340 1.585 0.656 0.885 1.000 0.846 CA 1.094 14 residues pruned to eliminate duplicates Z: 14 26.635 1.956 1.278 0.896 1.000 0.231 CB 1.187 14 residues pruned to eliminate duplicates Z: 8 3.502 1.586 0.661 0.424 0.714 0.714 CB 0.761 Z: 6 5.581 1.534 0.333 0.851 0.800 0.800 CB 1.129 6 residues pruned to eliminate duplicates Z: 8 2.315 1.407 0.564 0.344 0.714 0.429 N 0.659 Z: 6 8.688 1.697 0.901 0.870 1.000 0.600 CB 0.879 7 residues pruned to eliminate duplicates Z: 9 8.716 1.607 0.601 0.852 0.875 0.625 CB 1.013 9 residues pruned to eliminate duplicates Z: 32 10.113 1.677 0.396 0.346 0.903 0.419 CB 1.015 43 residues pruned to eliminate duplicates Z: 6 2.059 1.629 0.174 0.322 0.600 0.400 CA 0.977 Z: 12 12.070 1.674 0.816 0.601 0.909 0.455 CB 1.197 12 residues pruned to eliminate duplicates Z: 15 10.285 1.823 0.353 0.430 1.000 0.714 CB 1.198 14 residues pruned to eliminate duplicates Z: 14 21.882 1.989 0.748 0.898 1.000 0.538 CB 1.249 14 residues pruned to eliminate duplicates Z: 10 13.124 1.596 0.529 0.846 1.000 0.889 CA 1.332 9 residues pruned to eliminate duplicates Z: 16 30.832 1.830 1.313 0.932 1.000 0.533 CB 1.313 16 residues pruned to eliminate duplicates Z: 7 4.917 1.453 0.497 0.441 0.833 0.333 O 1.176 7 residues pruned to eliminate duplicates Z: 17 25.009 1.871 0.551 0.921 1.000 0.875 CB 1.517 17 residues pruned to eliminate duplicates Z: 7 10.899 2.059 0.697 0.635 0.833 0.667 CB 1.346 Z: 8 12.037 1.815 0.708 0.744 1.000 0.857 CB 1.180 13 residues pruned to eliminate duplicates Z: 13 12.741 1.545 0.633 0.796 0.917 0.500 CB 1.227 12 residues pruned to eliminate duplicates Z: 6 2.632 1.365 0.390 0.397 0.800 0.600 CB 0.864 6 1.573 1.733 0.367 0.255 0.800 0.200 CB 0.492 ? Z: 22 36.586 2.053 1.494 0.889 0.905 0.714 CB 1.240 22 residues pruned to eliminate duplicates Z: 14 3.567 1.364 0.428 0.269 0.692 0.462 CB 0.954 8 1.966 1.546 0.108 0.443 0.857 0.429 CB 0.536 ? Z: 15 25.060 1.851 0.920 0.875 0.929 0.643 CA 1.476 15 residues pruned to eliminate duplicates Z: 6 3.957 1.887 -0.019 0.376 1.000 0.400 CB 1.092 Z: 24 20.927 1.916 0.537 0.585 1.000 0.826 CB 1.366 24 residues pruned to eliminate duplicates Z: 13 22.910 2.012 1.058 0.882 0.917 0.833 CB 1.261 13 residues pruned to eliminate duplicates Z: 16 20.300 1.913 0.749 0.897 1.000 0.867 CB 1.121 16 residues pruned to eliminate duplicates Z: 13 6.317 1.545 0.458 0.464 0.750 0.500 O 1.120 10 residues pruned to eliminate duplicates Z: 9 3.601 1.582 0.573 0.267 0.750 0.375 CA 0.889 Z: 15 11.954 1.667 0.477 0.886 1.000 0.714 CB 0.936 15 residues pruned to eliminate duplicates Z: 10 8.878 1.867 0.600 0.569 0.778 0.556 CB 1.191 10 residues pruned to eliminate duplicates 6 1.221 1.533 -0.238 0.139 0.800 0.400 CB 0.914 ? Z: 26 21.902 1.841 0.838 0.536 0.960 0.720 CB 1.302 26 residues pruned to eliminate duplicates Z: 7 5.315 1.439 0.691 0.727 0.667 0.667 C 1.090 Z: 15 9.907 1.881 0.398 0.521 0.929 0.786 CA 1.062 24 residues pruned to eliminate duplicates Z: 13 15.559 1.643 0.716 0.877 1.000 0.833 CA 1.158 13 residues pruned to eliminate duplicates Z: 8 4.212 1.549 0.118 0.513 0.857 0.429 CA 1.058 8 residues pruned to eliminate duplicates Z: 56 27.971 1.843 0.804 0.636 0.873 0.527 CB 1.144 53 residues pruned to eliminate duplicates Z: 16 18.926 1.809 0.917 0.623 0.867 0.467 N 1.448 16 residues pruned to eliminate duplicates Z: 14 16.367 1.581 0.819 0.778 0.923 0.692 CB 1.338 14 residues pruned to eliminate duplicates Z: 9 7.852 1.505 0.293 0.874 1.000 1.000 CA 1.038 9 residues pruned to eliminate duplicates Z: 39 20.610 1.857 0.631 0.495 0.895 0.658 CB 1.241 41 residues pruned to eliminate duplicates Z: 11 6.565 1.732 0.521 0.345 0.800 0.600 CB 1.165 11 residues pruned to eliminate duplicates Z: 15 7.777 1.685 0.455 0.515 0.857 0.429 CB 0.975 15 residues pruned to eliminate duplicates Z: 8 13.521 1.658 0.647 0.889 1.000 0.714 CB 1.348 8 residues pruned to eliminate duplicates Z: 6 3.094 1.463 -0.039 0.363 1.000 0.400 N 1.140 Z: 6 6.606 1.548 0.716 0.490 1.000 0.600 CB 1.124 Z: 37 22.063 1.718 0.628 0.642 0.917 0.667 CB 1.256 36 residues pruned to eliminate duplicates Z: 20 10.949 1.649 0.402 0.403 0.947 0.684 O 1.270 19 residues pruned to eliminate duplicates Z: 13 9.842 1.913 0.790 0.498 0.750 0.583 CB 1.109 13 residues pruned to eliminate duplicates Z: 15 18.385 1.709 0.601 0.905 1.000 0.929 CB 1.278 15 residues pruned to eliminate duplicates Z: 42 18.878 1.821 0.621 0.568 0.878 0.488 CB 1.065 42 residues pruned to eliminate duplicates Z: 8 7.861 1.582 0.969 0.683 1.000 0.571 CB 0.806 6 residues pruned to eliminate duplicates Z: 12 8.217 1.854 0.351 0.432 0.818 0.455 CA 1.296 15 residues pruned to eliminate duplicates Z: 7 3.509 1.671 0.056 0.462 0.833 0.333 CB 1.013 Z: 19 11.922 1.654 0.785 0.534 0.889 0.611 CB 1.036 19 residues pruned to eliminate duplicates Z: 16 7.656 1.513 0.575 0.379 0.800 0.333 N 1.180 16 residues pruned to eliminate duplicates Z: 29 16.006 1.763 0.540 0.519 0.929 0.571 CB 1.178 29 residues pruned to eliminate duplicates Z: 7 7.743 1.903 0.170 0.837 0.833 0.833 CB 1.274 7 residues pruned to eliminate duplicates Z: 8 4.748 1.603 0.347 0.433 0.857 0.286 CB 1.040 Z: 10 11.102 1.977 0.559 0.511 1.000 0.667 CB 1.188 10 residues pruned to eliminate duplicates Z: 11 8.976 1.392 0.385 0.820 1.000 0.900 O 1.115 11 residues pruned to eliminate duplicates Z: 6 3.139 1.258 0.038 0.631 1.000 0.800 CB 0.951 Z: 27 21.124 1.875 0.625 0.546 0.962 0.654 CB 1.352 27 residues pruned to eliminate duplicates Z: 14 6.509 1.759 0.201 0.280 0.846 0.462 CB 1.295 14 residues pruned to eliminate duplicates Z: 6 3.831 1.595 0.867 0.507 0.600 0.600 CB 0.952 Z: 19 13.176 1.872 0.287 0.457 0.889 0.778 CA 1.516 19 residues pruned to eliminate duplicates Z: 17 12.463 1.662 0.603 0.459 1.000 0.562 CB 1.220 16 residues pruned to eliminate duplicates Z: 15 12.671 1.856 0.574 0.642 1.000 0.786 CB 1.015 9 residues pruned to eliminate duplicates Z: 13 7.179 1.632 0.503 0.284 0.833 0.417 CB 1.293 Z: 13 16.753 1.698 0.824 0.874 0.917 0.417 CA 1.239 13 residues pruned to eliminate duplicates Z: 11 6.273 1.708 0.285 0.582 0.800 0.600 CA 1.045 11 residues pruned to eliminate duplicates Z: 22 14.778 1.777 0.414 0.467 0.952 0.524 CB 1.394 26 residues pruned to eliminate duplicates Z: 10 14.465 1.746 0.685 0.805 1.000 0.667 CB 1.256 10 residues pruned to eliminate duplicates Z: 10 9.526 1.746 0.883 0.757 0.889 0.333 CB 0.864 10 residues pruned to eliminate duplicates Z: 13 17.360 1.708 0.776 0.913 1.000 0.750 CA 1.169 13 residues pruned to eliminate duplicates 6 1.300 1.237 0.334 0.468 0.800 0.400 CB 0.455 ? Z: 8 8.040 1.722 0.442 0.613 0.857 0.857 CA 1.283 8 residues pruned to eliminate duplicates Z: 9 5.582 1.278 0.564 0.698 0.875 0.625 N 0.941 8 residues pruned to eliminate duplicates Z: 10 8.102 1.586 0.360 0.495 0.889 0.556 CB 1.416 10 residues pruned to eliminate duplicates Z: 13 5.671 1.488 0.341 0.599 0.833 0.500 CB 0.896 13 residues pruned to eliminate duplicates Z: 7 2.953 1.481 0.407 0.297 0.667 0.500 CB 1.088 Z: 17 12.724 1.808 0.391 0.503 1.000 0.500 CA 1.262 17 residues pruned to eliminate duplicates Z: 8 2.127 1.417 0.592 0.457 1.000 0.714 CB 0.372 Z: 28 21.155 1.924 0.531 0.584 0.926 0.630 CB 1.378 28 residues pruned to eliminate duplicates Z: 12 4.807 1.638 0.451 0.281 0.818 0.455 CB 0.955 12 residues pruned to eliminate duplicates Z: 6 8.971 1.962 0.796 0.663 0.800 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 19 25.618 1.952 1.434 0.799 0.833 0.556 CB 1.174 19 residues pruned to eliminate duplicates Z: 7 4.543 1.538 0.727 0.315 0.833 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 18 20.456 1.830 0.860 0.731 1.000 0.529 CB 1.184 18 residues pruned to eliminate duplicates Z: 17 17.668 1.715 0.639 0.922 0.938 0.750 CB 1.179 17 residues pruned to eliminate duplicates Z: 8 6.572 1.561 0.346 0.596 1.000 0.714 CB 1.079 Z: 7 6.175 1.560 0.187 0.668 1.000 0.833 CB 1.166 Z: 7 3.811 1.478 0.519 0.685 0.500 0.333 CA 1.170 6 residues pruned to eliminate duplicates Z: 12 9.561 1.717 0.551 0.484 0.818 0.545 O 1.344 12 residues pruned to eliminate duplicates Z: 12 7.806 1.773 0.446 0.320 0.818 0.455 CB 1.368 12 residues pruned to eliminate duplicates Z: 10 7.193 1.829 0.568 0.296 0.889 0.444 CB 1.181 10 residues pruned to eliminate duplicates Z: 8 7.572 1.614 0.776 0.737 0.857 0.857 O 0.942 8 residues pruned to eliminate duplicates Z: 11 6.076 1.850 0.142 0.276 0.800 0.800 CA 1.465 11 residues pruned to eliminate duplicates 6 1.260 1.348 -0.085 0.296 0.800 0.400 CB 0.718 ? Z: 11 3.899 1.379 0.274 0.203 0.900 0.300 O 1.108 Z: 6 4.625 1.574 0.495 0.529 0.800 0.400 CB 1.068 6 residues pruned to eliminate duplicates Z: 16 15.625 1.652 0.808 0.914 1.000 0.933 CB 0.955 15 residues pruned to eliminate duplicates Z: 12 4.996 1.507 0.231 0.333 0.818 0.273 N 1.191 12 residues pruned to eliminate duplicates Z: 6 3.524 1.512 0.526 0.462 0.800 0.600 CB 0.887 Z: 6 2.459 1.141 0.311 0.390 0.800 0.400 N 1.032 Z: 10 10.515 1.642 0.690 0.807 0.889 0.778 CB 1.087 10 residues pruned to eliminate duplicates Z: 17 13.922 1.786 0.669 0.440 1.000 0.625 CB 1.242 18 residues pruned to eliminate duplicates Z: 7 3.194 1.424 0.168 0.462 0.833 0.667 CB 0.978 Z: 8 9.607 1.548 0.518 0.878 1.000 0.714 CB 1.121 8 residues pruned to eliminate duplicates Z: 6 2.855 1.296 0.313 0.478 1.000 0.600 CB 0.768 Z: 8 6.816 1.558 0.128 0.871 1.000 0.429 CA 1.069 8 residues pruned to eliminate duplicates Z: 8 4.039 1.514 0.189 0.394 0.857 0.429 CB 1.106 5 residues pruned to eliminate duplicates Z: 13 11.857 1.744 0.591 0.633 0.833 0.583 CB 1.306 13 residues pruned to eliminate duplicates Z: 6 4.166 1.582 0.411 0.733 0.800 0.200 CB 0.846 6 residues pruned to eliminate duplicates Z: 12 11.353 1.474 0.684 0.921 1.000 0.909 CB 0.970 12 residues pruned to eliminate duplicates Z: 15 31.573 2.265 0.997 0.931 1.000 0.786 CA 1.304 15 residues pruned to eliminate duplicates Z: 9 4.991 1.329 0.584 0.588 0.875 0.750 CB 0.881 Z: 15 13.184 1.655 0.683 0.899 1.000 0.714 CA 0.904 15 residues pruned to eliminate duplicates Z: 8 4.833 1.652 0.155 0.464 0.857 0.714 CB 1.158 8 residues pruned to eliminate duplicates 6 0.786 1.258 -0.073 0.482 0.600 0.400 CA 0.511 ? Z: 13 15.693 1.644 0.676 0.910 1.000 0.917 CB 1.166 13 residues pruned to eliminate duplicates Z: 13 13.163 1.767 0.473 0.554 0.917 0.417 CB 1.511 13 residues pruned to eliminate duplicates Z: 10 9.715 1.810 0.855 0.500 0.889 0.444 CB 1.085 17 residues pruned to eliminate duplicates Z: 31 22.920 1.892 0.543 0.591 0.967 0.800 CB 1.359 31 residues pruned to eliminate duplicates Z: 9 4.029 1.756 0.166 0.569 0.875 0.375 CB 0.744 9 residues pruned to eliminate duplicates Z: 14 13.823 1.583 0.595 0.892 1.000 0.923 CA 1.091 13 residues pruned to eliminate duplicates 6 1.321 1.296 0.387 0.318 0.400 0.400 N 1.005 ? Z: 15 24.256 1.862 0.728 0.895 1.000 0.571 CB 1.444 15 residues pruned to eliminate duplicates Z: 10 4.125 1.557 -0.092 0.449 0.889 0.667 CB 1.152 8 residues pruned to eliminate duplicates Z: 7 10.092 1.935 0.470 0.449 1.000 0.500 CB 1.526 7 residues pruned to eliminate duplicates Z: 15 14.891 1.661 0.858 0.890 0.929 0.643 CB 0.999 15 residues pruned to eliminate duplicates Z: 6 2.390 1.576 0.917 0.127 0.600 0.400 CB 0.941 Z: 8 4.361 1.840 0.385 0.449 0.714 0.286 CB 0.954 Z: 11 4.209 1.527 0.519 0.477 0.800 0.700 CB 0.734 Z: 13 4.439 1.754 0.001 0.364 0.833 0.333 CB 1.013 23 residues pruned to eliminate duplicates Z: 9 5.040 1.373 0.375 0.636 0.750 0.625 CA 1.108 9 residues pruned to eliminate duplicates Z: 9 7.126 1.697 0.473 0.633 0.875 0.625 CB 1.016 10 residues pruned to eliminate duplicates Z: 6 3.667 1.456 0.575 0.521 0.600 0.400 CA 1.167 Z: 13 4.100 1.303 0.537 0.323 0.667 0.417 CB 1.077 6 1.796 1.249 0.562 0.724 0.600 0.400 CB 0.561 ? Z: 20 19.185 1.864 0.536 0.637 1.000 0.737 CB 1.352 18 residues pruned to eliminate duplicates Z: 9 3.819 1.496 0.256 0.421 0.750 0.375 N 1.040 9 residues pruned to eliminate duplicates Z: 16 27.651 1.940 1.020 0.920 1.000 0.867 CA 1.283 16 residues pruned to eliminate duplicates Z: 12 5.593 1.439 0.591 0.311 0.727 0.273 C 1.249 Z: 16 14.475 1.719 1.073 0.783 0.933 0.600 CB 0.876 16 residues pruned to eliminate duplicates Z: 13 13.897 1.639 0.504 0.900 1.000 1.000 CA 1.163 13 residues pruned to eliminate duplicates Z: 7 2.310 1.748 0.424 0.764 0.833 0.667 CB 0.360 5 residues pruned to eliminate duplicates Z: 6 2.929 1.510 0.136 0.368 0.800 0.400 CB 1.099 Z: 7 3.247 1.728 0.216 0.209 0.667 0.167 CB 1.334 7 residues pruned to eliminate duplicates Z: 9 4.964 1.528 0.606 0.412 0.875 0.625 CB 0.897 Z: 17 4.450 1.442 0.624 0.189 0.688 0.312 CB 1.003 17 residues pruned to eliminate duplicates Z: 6 10.144 1.609 0.862 0.837 1.000 0.800 CB 1.133 6 residues pruned to eliminate duplicates Z: 28 21.266 1.815 0.793 0.562 0.889 0.519 CB 1.333 28 residues pruned to eliminate duplicates Z: 10 3.759 1.577 0.248 0.418 0.889 0.667 CB 0.780 10 residues pruned to eliminate duplicates Z: 17 10.832 1.744 0.472 0.479 0.812 0.438 CB 1.325 17 residues pruned to eliminate duplicates Z: 7 2.033 1.396 0.042 0.434 0.833 0.500 O 0.733 4 residues pruned to eliminate duplicates Z: 6 3.792 1.363 0.320 0.603 0.800 0.600 C 1.069 Z: 24 17.560 1.848 0.781 0.488 0.870 0.652 CB 1.295 24 residues pruned to eliminate duplicates Z: 11 13.611 1.649 0.638 0.878 1.000 0.900 CB 1.157 11 residues pruned to eliminate duplicates Z: 8 2.051 1.394 0.252 0.391 0.571 0.429 CB 0.872 Z: 6 4.605 1.556 0.281 0.510 0.800 0.400 CB 1.280 Z: 13 8.838 1.743 0.529 0.342 0.917 0.583 CB 1.240 23 residues pruned to eliminate duplicates Z: 13 8.994 1.713 0.564 0.677 0.833 0.750 CB 0.988 13 residues pruned to eliminate duplicates Z: 11 12.469 1.649 0.552 0.923 0.900 0.800 CA 1.202 11 residues pruned to eliminate duplicates Z: 9 2.147 1.459 0.096 0.173 0.750 0.250 N 0.940 Z: 7 2.098 1.595 0.425 0.083 0.500 0.500 CA 1.293 7 residues pruned to eliminate duplicates Z: 10 8.720 1.541 0.633 0.580 0.889 0.778 CB 1.204 8 residues pruned to eliminate duplicates Z: 7 4.677 1.227 0.683 0.578 1.000 0.833 CB 0.857 Z: 7 2.139 1.487 0.109 0.408 0.667 0.333 CB 0.875 5 residues pruned to eliminate duplicates Z: 9 5.932 1.305 0.262 0.751 1.000 0.625 CB 1.018 9 residues pruned to eliminate duplicates Z: 12 3.498 1.374 0.341 0.275 0.727 0.545 N 1.014 6 1.277 1.465 0.250 0.206 0.800 0.600 CB 0.552 ? Z: 7 6.335 1.557 0.368 0.731 0.833 0.500 N 1.184 7 residues pruned to eliminate duplicates Z: 32 21.722 1.856 0.674 0.508 0.935 0.645 CB 1.332 32 residues pruned to eliminate duplicates 669 residues left after pruning, divided into chains as follows: A: 26 B: 12 C: 20 D: 27 E: 11 F: 14 G: 29 H: 13 I: 12 J: 61 K: 19 L: 14 M: 7 N: 24 O: 34 P: 12 Q: 33 R: 21 S: 13 T: 46 U: 9 V: 14 W: 6 X: 17 Y: 9 Z: 13 Z: 24 Z: 34 Z: 25 Z: 70 CC for partial structure against native data = 33.42 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.451, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.523, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.630, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.642, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.654, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.658, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.662, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.664, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.666, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.666, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3014 peaks > 0.5 sigma used to seed fragment search Space for about 1084 unique residues taking solvent into account 772 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 20.200 2.013 0.620 0.911 1.000 0.857 CB 1.174 B: 18 26.703 2.239 0.325 0.940 1.000 0.882 CA 1.516 C: 16 24.611 1.964 0.708 0.873 0.933 0.733 CA 1.478 D: 15 19.886 1.975 0.649 0.824 0.929 0.786 CA 1.328 15 residues pruned to eliminate duplicates E: 13 16.998 1.935 0.408 0.873 0.917 0.750 CB 1.432 F: 15 20.433 2.155 0.392 0.929 1.000 1.000 CA 1.273 15 residues pruned to eliminate duplicates G: 21 21.513 2.025 0.335 0.877 0.950 0.750 CA 1.359 21 residues pruned to eliminate duplicates H: 25 41.404 2.026 1.125 0.917 1.000 0.667 CA 1.385 18 residues pruned to eliminate duplicates I: 11 26.706 2.220 0.810 0.896 0.900 0.800 CA 1.673 J: 25 36.054 2.044 0.875 0.921 1.000 0.917 CA 1.351 25 residues pruned to eliminate duplicates K: 15 28.643 2.089 0.660 0.915 1.000 0.786 CA 1.560 L: 14 24.186 2.098 0.531 0.935 1.000 1.000 CA 1.456 15 residues pruned to eliminate duplicates M: 41 24.398 1.945 0.664 0.493 0.875 0.500 CB 1.373 15 residues pruned to eliminate duplicates N: 15 17.548 2.073 0.102 0.922 0.929 0.929 CA 1.555 15 residues pruned to eliminate duplicates O: 24 26.164 2.059 0.362 0.928 1.000 1.000 CA 1.363 24 residues pruned to eliminate duplicates P: 25 41.405 2.121 0.880 0.925 1.000 0.958 CA 1.488 25 residues pruned to eliminate duplicates Q: 16 25.051 1.879 0.932 0.860 0.933 0.667 CB 1.403 16 residues pruned to eliminate duplicates R: 13 24.016 2.178 0.450 0.905 1.000 0.833 CA 1.562 13 residues pruned to eliminate duplicates S: 15 20.825 1.876 0.634 0.876 0.929 0.571 CB 1.421 13 residues pruned to eliminate duplicates T: 12 28.151 2.184 0.769 0.871 1.000 0.636 CB 1.602 11 residues pruned to eliminate duplicates U: 17 18.774 1.812 0.691 0.887 0.938 0.812 CB 1.178 V: 17 17.731 1.794 0.439 0.925 0.938 0.812 CA 1.285 W: 13 31.398 2.138 0.812 0.918 1.000 0.750 CA 1.650 13 residues pruned to eliminate duplicates X: 11 17.294 1.813 0.849 0.911 0.900 0.800 CB 1.284 Y: 13 19.195 1.933 0.609 0.865 0.917 0.583 CA 1.424 Z: 16 26.389 1.937 0.813 0.886 0.933 0.667 CA 1.500 17 residues pruned to eliminate duplicates Z: 6 3.408 1.626 0.070 0.341 0.800 0.400 CB 1.303 Z: 14 23.294 1.961 0.781 0.846 0.923 0.692 N 1.488 13 residues pruned to eliminate duplicates Z: 17 25.505 1.930 0.746 0.882 1.000 0.875 CA 1.369 Z: 13 19.285 2.076 0.444 0.862 1.000 0.917 CA 1.364 13 residues pruned to eliminate duplicates Z: 15 21.104 2.012 0.478 0.891 1.000 0.786 CB 1.364 15 residues pruned to eliminate duplicates Z: 14 24.971 2.106 0.535 0.921 1.000 0.846 CA 1.508 14 residues pruned to eliminate duplicates Z: 28 10.917 1.750 0.346 0.397 0.926 0.704 CB 1.074 Z: 24 36.554 2.087 0.872 0.913 1.000 0.870 CA 1.381 24 residues pruned to eliminate duplicates Z: 13 22.198 2.078 0.646 0.933 1.000 0.833 CA 1.307 13 residues pruned to eliminate duplicates Z: 8 3.666 1.749 0.495 0.310 0.571 0.571 CB 1.145 Z: 17 24.580 1.952 0.761 0.888 1.000 0.875 CA 1.288 Z: 16 27.014 1.992 0.836 0.919 0.933 0.800 CA 1.440 17 residues pruned to eliminate duplicates Z: 13 35.233 2.149 1.037 0.927 1.000 0.667 CA 1.628 22 residues pruned to eliminate duplicates Z: 13 20.417 1.915 0.660 0.897 1.000 0.917 CA 1.327 Z: 17 30.556 1.999 0.869 0.914 1.000 0.875 CB 1.446 Z: 12 21.429 2.180 0.425 0.860 1.000 0.727 CA 1.530 12 residues pruned to eliminate duplicates Z: 17 33.320 1.991 1.009 0.897 1.000 0.875 CB 1.490 17 residues pruned to eliminate duplicates Z: 15 25.563 1.996 0.817 0.907 0.929 0.429 CB 1.442 15 residues pruned to eliminate duplicates Z: 15 25.900 2.014 0.986 0.914 1.000 0.786 CB 1.224 13 residues pruned to eliminate duplicates Z: 18 21.025 1.788 0.529 0.901 1.000 0.647 CA 1.332 17 residues pruned to eliminate duplicates Z: 13 18.241 1.988 0.536 0.860 0.833 0.500 CA 1.521 13 residues pruned to eliminate duplicates Z: 13 18.628 1.905 0.604 0.869 1.000 0.917 CA 1.285 13 residues pruned to eliminate duplicates Z: 8 24.071 1.984 1.368 0.872 1.000 0.714 CA 1.412 Z: 15 29.461 2.003 1.029 0.865 0.929 0.643 CB 1.529 15 residues pruned to eliminate duplicates Z: 15 21.527 2.024 0.595 0.789 0.929 0.786 CB 1.490 Z: 18 13.110 1.863 0.878 0.430 0.824 0.471 CB 1.187 Z: 15 26.426 1.998 0.823 0.927 1.000 0.786 CA 1.358 15 residues pruned to eliminate duplicates Z: 17 29.522 2.038 0.883 0.920 0.938 0.812 CB 1.445 16 residues pruned to eliminate duplicates Z: 19 13.212 1.748 0.572 0.481 0.833 0.611 CB 1.386 Z: 15 25.146 2.078 0.608 0.914 1.000 0.857 CA 1.423 15 residues pruned to eliminate duplicates Z: 33 24.563 1.993 0.633 0.547 0.906 0.719 CB 1.406 34 residues pruned to eliminate duplicates Z: 14 19.251 1.959 0.719 0.886 0.846 0.846 CB 1.352 13 residues pruned to eliminate duplicates Z: 13 22.966 1.980 0.711 0.889 1.000 0.833 CA 1.409 14 residues pruned to eliminate duplicates Z: 12 24.648 1.936 0.857 0.914 1.000 0.909 CA 1.462 12 residues pruned to eliminate duplicates Z: 18 20.303 1.782 0.648 0.904 0.941 0.824 CA 1.269 18 residues pruned to eliminate duplicates Z: 10 17.507 1.736 1.115 0.817 1.000 0.556 CA 1.206 9 residues pruned to eliminate duplicates Z: 12 25.396 2.171 0.760 0.917 1.000 0.909 CA 1.415 12 residues pruned to eliminate duplicates Z: 16 22.129 2.145 0.510 0.711 0.867 0.533 CA 1.681 23 residues pruned to eliminate duplicates Z: 16 25.093 2.050 1.001 0.921 1.000 0.733 CB 1.112 16 residues pruned to eliminate duplicates Z: 10 14.480 1.906 0.656 0.896 1.000 1.000 CA 1.095 Z: 14 24.527 2.088 0.779 0.926 0.923 0.769 CA 1.392 14 residues pruned to eliminate duplicates Z: 14 30.857 2.097 0.819 0.933 1.000 1.000 CB 1.566 14 residues pruned to eliminate duplicates Z: 16 20.499 1.874 0.641 0.849 1.000 0.667 CA 1.276 16 residues pruned to eliminate duplicates Z: 13 19.018 1.958 0.569 0.869 1.000 0.917 CB 1.305 13 residues pruned to eliminate duplicates Z: 15 27.194 2.084 0.629 0.937 1.000 0.857 CA 1.490 15 residues pruned to eliminate duplicates Z: 13 31.111 2.094 0.881 0.934 1.000 0.667 CA 1.590 13 residues pruned to eliminate duplicates Z: 13 15.138 2.039 0.772 0.486 0.833 0.500 CB 1.472 8 residues pruned to eliminate duplicates Z: 15 20.848 2.095 0.334 0.892 1.000 0.929 CA 1.433 15 residues pruned to eliminate duplicates Z: 18 24.749 1.937 0.990 0.792 0.882 0.706 CB 1.366 16 residues pruned to eliminate duplicates Z: 15 35.280 2.077 1.039 0.903 1.000 0.643 CA 1.587 15 residues pruned to eliminate duplicates Z: 15 23.176 1.940 0.722 0.907 0.929 0.714 CB 1.419 15 residues pruned to eliminate duplicates Z: 13 21.596 1.998 0.633 0.891 1.000 0.667 CB 1.374 13 residues pruned to eliminate duplicates Z: 7 7.879 1.759 0.422 0.779 0.833 0.667 CB 1.206 Z: 17 21.599 2.011 0.518 0.916 1.000 0.875 CB 1.249 17 residues pruned to eliminate duplicates Z: 19 24.169 1.907 0.595 0.847 0.944 0.833 CB 1.472 19 residues pruned to eliminate duplicates Z: 16 27.163 1.935 0.963 0.871 0.933 0.800 CA 1.442 16 residues pruned to eliminate duplicates Z: 15 22.919 1.977 0.685 0.896 1.000 0.500 CB 1.318 15 residues pruned to eliminate duplicates Z: 16 17.968 1.893 0.769 0.773 0.800 0.600 CB 1.361 16 residues pruned to eliminate duplicates Z: 10 14.187 1.997 0.696 0.880 1.000 0.778 CB 1.011 11 residues pruned to eliminate duplicates Z: 24 34.162 2.109 0.674 0.935 1.000 0.957 CA 1.406 24 residues pruned to eliminate duplicates Z: 15 21.644 2.031 0.555 0.818 1.000 0.786 CB 1.390 15 residues pruned to eliminate duplicates Z: 24 36.108 2.130 0.740 0.922 1.000 0.913 CA 1.429 24 residues pruned to eliminate duplicates Z: 16 17.815 1.835 0.863 0.792 0.933 0.400 CB 1.116 16 residues pruned to eliminate duplicates Z: 15 24.431 2.013 0.745 0.873 1.000 0.786 CB 1.353 15 residues pruned to eliminate duplicates Z: 15 19.461 1.966 0.526 0.876 1.000 0.643 CB 1.259 15 residues pruned to eliminate duplicates Z: 15 28.281 2.106 0.588 0.912 1.000 0.643 CA 1.601 14 residues pruned to eliminate duplicates Z: 14 19.566 2.097 0.337 0.901 0.923 0.846 CA 1.497 14 residues pruned to eliminate duplicates Z: 8 5.745 1.738 0.321 0.477 0.857 0.429 CA 1.129 6 residues pruned to eliminate duplicates Z: 14 22.150 2.059 0.704 0.845 0.923 0.769 CA 1.410 13 residues pruned to eliminate duplicates Z: 14 26.652 2.029 0.768 0.891 1.000 0.923 CA 1.482 14 residues pruned to eliminate duplicates Z: 18 19.768 1.807 0.490 0.900 0.941 0.765 CA 1.351 18 residues pruned to eliminate duplicates Z: 6 5.292 1.882 -0.178 0.846 1.000 0.800 CB 1.137 Z: 16 17.021 1.829 0.760 0.781 1.000 0.533 CB 1.066 9 residues pruned to eliminate duplicates Z: 8 7.999 1.950 0.502 0.784 0.571 0.429 CB 1.407 8 residues pruned to eliminate duplicates Z: 13 19.993 1.995 0.365 0.879 1.000 0.917 CB 1.537 13 residues pruned to eliminate duplicates Z: 15 24.347 1.997 0.877 0.789 0.929 0.643 CB 1.451 15 residues pruned to eliminate duplicates Z: 19 8.930 1.698 0.506 0.294 0.944 0.500 CB 1.098 14 residues pruned to eliminate duplicates Z: 8 5.654 1.548 0.547 0.687 0.857 0.714 CB 0.877 Z: 8 6.406 1.880 0.292 0.565 0.857 0.571 CB 1.092 Z: 8 7.474 1.785 0.515 0.438 1.000 0.429 CB 1.114 5 residues pruned to eliminate duplicates Z: 12 18.732 1.868 0.531 0.910 1.000 0.909 CA 1.402 12 residues pruned to eliminate duplicates Z: 13 26.296 2.155 0.965 0.893 0.917 0.667 CB 1.403 13 residues pruned to eliminate duplicates Z: 14 11.361 1.837 0.235 0.529 1.000 0.692 N 1.350 6 residues pruned to eliminate duplicates Z: 13 20.051 1.981 0.355 0.910 1.000 0.917 CB 1.529 13 residues pruned to eliminate duplicates Z: 22 33.946 2.066 0.816 0.892 0.952 0.905 CA 1.489 22 residues pruned to eliminate duplicates Z: 10 14.878 1.991 0.711 0.907 1.000 1.000 CB 1.035 10 residues pruned to eliminate duplicates Z: 15 23.200 1.955 0.605 0.914 1.000 0.786 CB 1.398 15 residues pruned to eliminate duplicates Z: 15 28.779 2.063 0.645 0.909 1.000 0.786 CA 1.609 15 residues pruned to eliminate duplicates Z: 17 31.267 2.044 1.315 0.916 1.000 0.625 CB 1.167 17 residues pruned to eliminate duplicates Z: 16 18.667 1.964 0.666 0.888 1.000 0.467 CB 1.062 16 residues pruned to eliminate duplicates Z: 22 15.322 1.828 0.407 0.531 0.952 0.571 CB 1.324 10 residues pruned to eliminate duplicates Z: 11 11.670 1.731 0.633 0.767 0.800 0.400 CA 1.288 11 residues pruned to eliminate duplicates Z: 13 22.581 2.001 0.725 0.895 0.917 0.833 CB 1.477 13 residues pruned to eliminate duplicates Z: 16 19.623 1.842 0.738 0.898 0.933 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 7 5.053 1.539 0.179 0.567 1.000 0.333 CB 1.066 Z: 17 31.018 2.002 0.941 0.924 1.000 1.000 CB 1.401 18 residues pruned to eliminate duplicates Z: 22 46.502 2.104 1.418 0.917 1.000 0.571 CA 1.408 25 residues pruned to eliminate duplicates Z: 10 10.626 1.612 0.673 0.893 0.778 0.556 CB 1.212 10 residues pruned to eliminate duplicates Z: 16 29.089 2.062 1.078 0.938 1.000 0.667 CB 1.218 16 residues pruned to eliminate duplicates Z: 13 19.708 1.683 0.914 0.945 1.000 0.833 CB 1.222 Z: 19 24.417 1.891 0.948 0.694 0.944 0.722 CA 1.385 19 residues pruned to eliminate duplicates Z: 17 20.295 2.021 0.448 0.915 1.000 1.000 CB 1.226 17 residues pruned to eliminate duplicates Z: 15 21.448 2.001 0.525 0.852 1.000 0.571 CB 1.389 15 residues pruned to eliminate duplicates Z: 19 32.338 1.923 0.996 0.901 1.000 0.889 CB 1.418 18 residues pruned to eliminate duplicates Z: 16 17.447 1.911 0.415 0.914 1.000 0.933 CA 1.178 16 residues pruned to eliminate duplicates Z: 15 29.646 2.086 0.642 0.884 1.000 0.643 CA 1.672 15 residues pruned to eliminate duplicates Z: 16 17.683 1.714 0.470 0.857 1.000 0.733 CA 1.335 Z: 19 28.435 1.948 0.911 0.899 0.944 0.778 CB 1.363 19 residues pruned to eliminate duplicates Z: 15 25.696 2.051 0.848 0.835 0.929 0.643 CA 1.462 15 residues pruned to eliminate duplicates Z: 8 9.838 1.815 0.595 0.508 1.000 0.857 CB 1.275 8 residues pruned to eliminate duplicates Z: 11 12.217 1.886 0.469 0.586 0.900 0.300 CB 1.426 17 residues pruned to eliminate duplicates Z: 15 18.052 2.006 0.561 0.859 0.857 0.643 CA 1.322 15 residues pruned to eliminate duplicates Z: 25 38.470 2.071 1.000 0.917 1.000 0.875 CA 1.337 25 residues pruned to eliminate duplicates Z: 11 18.315 1.715 0.804 0.883 1.000 0.600 CA 1.353 11 residues pruned to eliminate duplicates Z: 7 10.625 1.858 0.728 0.549 0.833 0.667 N 1.545 7 residues pruned to eliminate duplicates Z: 25 28.820 2.046 0.414 0.918 1.000 0.792 CA 1.434 25 residues pruned to eliminate duplicates Z: 12 6.375 1.752 0.574 0.351 0.636 0.273 CB 1.288 Z: 14 24.165 2.042 0.710 0.880 1.000 0.692 CA 1.391 14 residues pruned to eliminate duplicates Z: 25 34.534 2.015 0.830 0.903 0.958 0.833 CA 1.422 25 residues pruned to eliminate duplicates Z: 13 11.498 1.924 0.351 0.521 0.833 0.583 CB 1.500 15 residues pruned to eliminate duplicates Z: 9 19.599 1.904 1.108 0.806 1.000 0.625 CA 1.322 9 residues pruned to eliminate duplicates Z: 24 13.155 1.812 0.419 0.379 0.870 0.522 CA 1.395 Z: 14 22.983 2.011 0.818 0.814 1.000 0.769 CB 1.327 14 residues pruned to eliminate duplicates Z: 16 27.796 1.934 1.011 0.903 0.933 0.533 CB 1.409 16 residues pruned to eliminate duplicates Z: 24 10.603 1.721 0.417 0.349 0.783 0.261 CB 1.364 18 residues pruned to eliminate duplicates Z: 9 10.781 1.679 0.722 0.723 0.875 0.625 CB 1.232 Z: 12 6.809 1.784 0.272 0.519 0.818 0.727 CB 1.085 Z: 13 18.639 1.742 0.601 0.817 1.000 0.833 CA 1.465 13 residues pruned to eliminate duplicates Z: 17 12.990 1.897 0.506 0.492 0.875 0.562 CB 1.310 15 residues pruned to eliminate duplicates Z: 9 3.478 1.635 0.309 0.352 0.750 0.500 CA 0.900 9 residues pruned to eliminate duplicates Z: 14 9.653 1.888 0.176 0.505 0.846 0.692 CB 1.418 8 residues pruned to eliminate duplicates Z: 29 27.900 2.069 0.656 0.568 1.000 0.679 CB 1.441 33 residues pruned to eliminate duplicates Z: 16 18.977 1.984 0.470 0.901 0.933 0.867 CB 1.285 16 residues pruned to eliminate duplicates Z: 18 27.839 1.928 1.070 0.901 0.941 0.588 CB 1.283 18 residues pruned to eliminate duplicates Z: 14 31.004 2.110 0.735 0.902 1.000 0.769 CA 1.676 14 residues pruned to eliminate duplicates Z: 15 21.072 1.978 0.552 0.914 0.929 0.857 CB 1.397 15 residues pruned to eliminate duplicates Z: 17 25.126 2.017 0.962 0.921 1.000 0.750 CB 1.117 17 residues pruned to eliminate duplicates Z: 8 11.612 1.884 0.545 0.780 1.000 0.857 CB 1.178 8 residues pruned to eliminate duplicates Z: 16 16.612 1.731 0.679 0.850 0.867 0.333 CB 1.261 16 residues pruned to eliminate duplicates Z: 21 10.785 1.741 0.379 0.354 0.900 0.500 O 1.306 Z: 8 9.953 1.898 0.964 0.711 0.714 0.429 CB 1.167 8 residues pruned to eliminate duplicates Z: 18 6.593 1.830 0.095 0.386 0.882 0.765 CB 1.020 18 residues pruned to eliminate duplicates Z: 14 18.745 1.879 0.473 0.910 1.000 0.692 CB 1.333 14 residues pruned to eliminate duplicates Z: 16 18.822 2.025 0.639 0.857 0.933 0.733 CB 1.156 16 residues pruned to eliminate duplicates Z: 10 9.982 1.624 0.482 0.900 1.000 0.778 CA 0.987 Z: 17 11.290 1.835 0.450 0.390 0.875 0.750 CB 1.363 7 residues pruned to eliminate duplicates Z: 7 9.274 2.126 0.259 0.539 1.000 1.000 CA 1.362 7 residues pruned to eliminate duplicates Z: 24 29.633 2.017 0.645 0.904 1.000 0.826 CA 1.326 22 residues pruned to eliminate duplicates Z: 14 25.832 2.166 0.771 0.934 1.000 0.692 CB 1.303 14 residues pruned to eliminate duplicates Z: 14 29.022 1.921 1.084 0.896 1.000 0.615 CA 1.440 14 residues pruned to eliminate duplicates Z: 12 3.426 1.567 0.368 0.224 0.818 0.636 CB 0.813 Z: 9 4.168 1.481 0.233 0.235 1.000 0.500 CB 1.098 6 residues pruned to eliminate duplicates Z: 13 20.514 1.863 0.912 0.926 0.917 0.500 CB 1.272 13 residues pruned to eliminate duplicates Z: 16 7.511 1.843 0.132 0.501 0.933 0.467 CB 0.995 Z: 14 22.441 2.017 0.590 0.881 1.000 1.000 CA 1.406 14 residues pruned to eliminate duplicates Z: 10 14.382 1.869 0.847 0.658 0.889 0.889 CA 1.349 26 residues pruned to eliminate duplicates Z: 15 14.860 1.961 0.832 0.740 0.786 0.643 CB 1.134 15 residues pruned to eliminate duplicates Z: 17 19.644 1.845 0.480 0.936 0.938 0.938 CA 1.336 17 residues pruned to eliminate duplicates Z: 14 23.809 2.019 0.709 0.870 1.000 0.846 CA 1.398 14 residues pruned to eliminate duplicates Z: 9 10.467 1.588 0.818 0.693 0.875 0.375 CA 1.228 9 residues pruned to eliminate duplicates Z: 17 16.669 1.611 1.138 0.784 0.812 0.500 CA 1.160 14 residues pruned to eliminate duplicates Z: 12 17.099 1.871 0.952 0.887 1.000 0.545 CB 1.017 12 residues pruned to eliminate duplicates Z: 19 29.231 1.895 1.029 0.884 0.944 0.611 CB 1.371 19 residues pruned to eliminate duplicates Z: 30 19.912 1.862 0.814 0.637 0.828 0.448 CB 1.164 30 residues pruned to eliminate duplicates Z: 22 44.254 2.150 1.160 0.923 1.000 0.714 CA 1.461 22 residues pruned to eliminate duplicates Z: 12 9.482 1.681 0.264 0.549 1.000 0.455 CB 1.282 11 residues pruned to eliminate duplicates Z: 6 2.916 1.712 0.373 0.849 1.000 0.600 CB 0.411 6 residues pruned to eliminate duplicates Z: 15 23.223 1.896 0.590 0.866 1.000 0.786 CB 1.507 15 residues pruned to eliminate duplicates Z: 8 11.296 1.759 0.688 0.879 1.000 0.714 CB 1.043 7 residues pruned to eliminate duplicates Z: 7 11.898 1.825 0.743 0.757 1.000 0.833 CB 1.215 7 residues pruned to eliminate duplicates Z: 12 14.212 1.960 0.451 0.615 0.909 0.727 CB 1.487 16 residues pruned to eliminate duplicates Z: 17 27.774 1.850 0.858 0.942 1.000 0.688 CA 1.401 18 residues pruned to eliminate duplicates Z: 6 12.560 2.024 0.826 0.580 1.000 0.600 CA 1.407 Z: 11 19.761 1.922 0.779 0.857 1.000 0.600 CB 1.347 11 residues pruned to eliminate duplicates Z: 7 7.282 1.660 0.768 0.498 0.833 0.667 CB 1.219 Z: 16 11.281 1.929 0.362 0.355 1.000 0.600 CB 1.296 16 residues pruned to eliminate duplicates Z: 31 8.839 1.780 0.249 0.346 0.800 0.433 CB 1.072 27 residues pruned to eliminate duplicates Z: 9 12.645 1.746 0.516 0.784 1.000 0.625 CA 1.315 9 residues pruned to eliminate duplicates Z: 6 5.965 1.965 0.576 0.528 0.800 0.600 CA 1.047 Z: 12 15.603 1.823 0.557 0.897 1.000 0.818 CB 1.187 12 residues pruned to eliminate duplicates Z: 13 7.594 1.820 0.314 0.270 0.833 0.417 CA 1.429 13 residues pruned to eliminate duplicates Z: 13 20.885 2.039 0.817 0.853 0.917 0.667 CA 1.312 13 residues pruned to eliminate duplicates Z: 18 11.368 1.758 0.555 0.443 0.882 0.529 CA 1.212 18 residues pruned to eliminate duplicates Z: 14 16.880 1.798 0.729 0.888 0.923 0.538 CB 1.176 11 residues pruned to eliminate duplicates Z: 20 22.106 1.619 0.833 0.886 1.000 0.737 CA 1.233 19 residues pruned to eliminate duplicates Z: 11 12.732 1.903 0.487 0.843 1.000 0.700 CB 1.059 11 residues pruned to eliminate duplicates Z: 9 10.006 1.635 0.574 0.790 1.000 0.625 CB 1.066 Z: 8 2.288 1.624 0.067 0.464 0.857 0.714 CB 0.604 Z: 15 29.015 1.992 0.916 0.914 1.000 0.714 CB 1.437 15 residues pruned to eliminate duplicates Z: 8 7.726 1.907 0.748 0.533 0.714 0.429 CB 1.187 7 residues pruned to eliminate duplicates Z: 15 6.145 1.762 0.305 0.468 0.929 0.500 CB 0.795 15 residues pruned to eliminate duplicates Z: 6 7.174 1.962 0.216 0.843 0.800 0.600 CB 1.251 5 residues pruned to eliminate duplicates Z: 15 11.536 1.763 0.596 0.457 0.857 0.429 N 1.335 7 residues pruned to eliminate duplicates Z: 15 20.233 1.894 0.600 0.853 0.929 0.786 CB 1.421 15 residues pruned to eliminate duplicates Z: 13 11.137 1.747 0.514 0.462 0.833 0.500 CA 1.517 13 residues pruned to eliminate duplicates Z: 10 7.133 1.781 0.187 0.519 1.000 0.778 CA 1.103 6 residues pruned to eliminate duplicates Z: 6 5.018 1.706 0.268 0.340 1.000 0.600 CB 1.235 6 residues pruned to eliminate duplicates Z: 10 9.122 1.464 0.365 0.813 1.000 0.667 CA 1.160 10 residues pruned to eliminate duplicates Z: 16 18.720 1.920 0.314 0.888 0.933 0.933 CA 1.479 16 residues pruned to eliminate duplicates Z: 14 11.466 2.019 -0.105 0.930 1.000 1.000 CA 1.231 14 residues pruned to eliminate duplicates Z: 13 14.368 1.791 0.642 0.847 0.917 0.667 CA 1.142 13 residues pruned to eliminate duplicates Z: 6 6.424 1.670 0.212 0.731 1.000 0.600 CB 1.153 Z: 24 38.986 2.012 1.332 0.885 0.913 0.348 CB 1.370 24 residues pruned to eliminate duplicates Z: 15 10.789 1.722 0.472 0.461 0.857 0.571 N 1.382 14 residues pruned to eliminate duplicates Z: 11 14.934 1.805 0.649 0.923 0.900 0.600 CB 1.239 11 residues pruned to eliminate duplicates Z: 16 16.758 1.698 0.584 0.873 1.000 0.733 CA 1.171 16 residues pruned to eliminate duplicates Z: 13 23.250 2.080 0.677 0.942 1.000 0.917 CA 1.334 13 residues pruned to eliminate duplicates Z: 19 21.038 1.665 0.960 0.866 0.944 0.667 CA 1.178 19 residues pruned to eliminate duplicates Z: 9 12.895 1.916 0.458 0.867 1.000 0.750 CA 1.194 9 residues pruned to eliminate duplicates Z: 14 15.729 2.031 0.105 0.917 1.000 1.000 CB 1.372 14 residues pruned to eliminate duplicates Z: 26 25.258 1.957 0.604 0.669 0.920 0.760 CB 1.496 22 residues pruned to eliminate duplicates Z: 16 9.850 1.851 0.380 0.375 0.733 0.467 O 1.552 20 residues pruned to eliminate duplicates Z: 8 11.801 1.810 0.812 0.658 0.857 0.571 CB 1.371 Z: 16 31.234 2.058 1.240 0.943 1.000 0.667 CB 1.212 16 residues pruned to eliminate duplicates Z: 10 8.341 1.500 0.523 0.722 1.000 0.667 CA 0.996 10 residues pruned to eliminate duplicates Z: 8 2.985 1.368 0.904 0.347 0.571 0.429 N 0.895 Z: 15 15.766 1.957 0.696 0.782 0.857 0.429 CB 1.156 15 residues pruned to eliminate duplicates Z: 18 15.838 1.944 0.278 0.709 0.882 0.882 CB 1.450 18 residues pruned to eliminate duplicates Z: 19 22.889 1.936 0.469 0.859 0.944 0.889 CB 1.479 19 residues pruned to eliminate duplicates Z: 8 4.646 1.413 0.857 0.753 0.714 0.429 CB 0.747 Z: 22 12.812 1.809 0.452 0.357 0.905 0.571 CB 1.372 23 residues pruned to eliminate duplicates Z: 15 18.334 1.738 0.488 0.921 1.000 0.857 CA 1.333 15 residues pruned to eliminate duplicates Z: 7 4.097 1.633 0.036 0.681 0.833 0.667 C 1.004 Z: 7 4.280 1.756 0.351 0.247 0.833 0.667 CA 1.184 9 residues pruned to eliminate duplicates Z: 13 8.601 1.800 0.239 0.420 1.000 0.667 CB 1.209 13 residues pruned to eliminate duplicates Z: 15 16.644 1.848 0.366 0.831 0.929 0.571 CB 1.426 15 residues pruned to eliminate duplicates Z: 26 13.789 1.824 0.387 0.433 0.840 0.640 CB 1.391 26 residues pruned to eliminate duplicates Z: 15 22.502 1.973 0.707 0.862 1.000 0.786 CB 1.310 15 residues pruned to eliminate duplicates Z: 19 26.882 1.934 0.631 0.863 0.944 0.778 CB 1.561 19 residues pruned to eliminate duplicates Z: 10 13.177 1.830 0.347 0.916 1.000 0.778 CB 1.259 10 residues pruned to eliminate duplicates Z: 15 19.668 1.879 0.385 0.860 1.000 0.929 CA 1.485 15 residues pruned to eliminate duplicates Z: 17 10.475 1.684 0.518 0.385 0.875 0.562 CB 1.323 19 residues pruned to eliminate duplicates Z: 10 10.085 1.488 0.622 0.744 0.889 0.667 N 1.260 18 residues pruned to eliminate duplicates Z: 16 13.256 2.027 0.023 0.624 0.933 0.667 CA 1.574 16 residues pruned to eliminate duplicates Z: 16 11.767 1.671 0.506 0.584 0.933 0.533 CB 1.193 16 residues pruned to eliminate duplicates Z: 14 15.918 1.654 0.614 0.902 1.000 0.846 CA 1.180 14 residues pruned to eliminate duplicates Z: 16 22.473 1.956 0.811 0.848 1.000 0.667 CA 1.215 16 residues pruned to eliminate duplicates Z: 16 15.111 1.663 0.734 0.833 0.867 0.667 CB 1.171 16 residues pruned to eliminate duplicates Z: 33 22.055 1.950 0.533 0.568 0.938 0.594 CB 1.303 33 residues pruned to eliminate duplicates Z: 12 8.909 1.535 0.469 0.878 1.000 0.818 CA 0.865 12 residues pruned to eliminate duplicates Z: 10 23.254 1.965 1.047 0.860 0.889 0.444 N 1.594 10 residues pruned to eliminate duplicates Z: 38 21.719 1.924 0.493 0.510 0.946 0.676 CB 1.301 41 residues pruned to eliminate duplicates Z: 15 24.925 2.037 0.638 0.916 1.000 0.786 CA 1.410 15 residues pruned to eliminate duplicates Z: 7 3.121 1.468 0.047 0.339 0.833 0.500 O 1.186 Z: 16 28.728 1.927 0.936 0.920 1.000 0.733 CB 1.400 16 residues pruned to eliminate duplicates Z: 12 9.702 1.533 0.749 0.854 0.909 0.818 CB 0.887 12 residues pruned to eliminate duplicates Z: 11 15.219 1.751 0.771 0.906 1.000 0.500 CB 1.104 8 residues pruned to eliminate duplicates Z: 14 21.997 1.939 0.808 0.897 1.000 0.462 CB 1.246 14 residues pruned to eliminate duplicates Z: 10 12.876 1.923 0.545 0.462 1.000 0.778 N 1.501 11 residues pruned to eliminate duplicates Z: 14 9.857 1.712 0.499 0.460 0.846 0.538 CA 1.312 12 residues pruned to eliminate duplicates Z: 15 33.374 2.102 0.923 0.922 1.000 0.643 CA 1.552 15 residues pruned to eliminate duplicates Z: 17 26.615 1.827 0.853 0.929 1.000 0.750 CB 1.376 17 residues pruned to eliminate duplicates Z: 10 4.551 1.538 0.325 0.595 1.000 0.667 CB 0.680 Z: 7 2.145 1.598 0.371 0.365 0.667 0.500 CB 0.693 Z: 9 13.541 1.848 0.429 0.805 1.000 0.750 CB 1.389 9 residues pruned to eliminate duplicates Z: 14 7.717 1.718 0.364 0.337 0.846 0.538 N 1.289 10 residues pruned to eliminate duplicates Z: 9 10.290 1.794 0.472 0.651 1.000 0.625 CB 1.197 6 residues pruned to eliminate duplicates Z: 40 21.801 2.037 0.408 0.493 0.923 0.513 CB 1.329 34 residues pruned to eliminate duplicates Z: 31 25.028 2.042 0.592 0.595 0.967 0.633 CB 1.328 31 residues pruned to eliminate duplicates Z: 13 16.183 1.953 0.524 0.511 1.000 0.833 CA 1.552 11 residues pruned to eliminate duplicates Z: 8 4.542 1.259 0.427 0.615 0.857 0.571 O 1.000 Z: 12 14.027 1.722 0.546 0.872 0.909 0.818 CA 1.274 12 residues pruned to eliminate duplicates Z: 11 5.336 1.533 0.340 0.314 0.800 0.400 CA 1.261 Z: 8 14.551 2.022 0.740 0.765 1.000 0.857 CB 1.236 8 residues pruned to eliminate duplicates Z: 13 19.845 1.937 0.564 0.903 0.917 0.833 CA 1.470 13 residues pruned to eliminate duplicates Z: 16 20.570 1.736 0.714 0.884 1.000 0.600 CA 1.290 16 residues pruned to eliminate duplicates Z: 25 42.815 2.041 1.234 0.937 0.958 0.542 CB 1.392 25 residues pruned to eliminate duplicates Z: 22 10.699 1.701 0.521 0.306 0.810 0.381 CA 1.383 22 residues pruned to eliminate duplicates Z: 11 9.106 1.844 0.535 0.329 0.900 0.500 CB 1.365 11 residues pruned to eliminate duplicates Z: 8 7.084 1.586 0.506 0.842 0.857 0.571 CB 0.974 8 residues pruned to eliminate duplicates Z: 14 21.251 1.979 0.746 0.844 0.923 0.308 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 14.961 1.629 0.752 0.890 1.000 0.667 CA 1.089 12 residues pruned to eliminate duplicates Z: 14 5.922 1.664 0.396 0.278 0.692 0.462 CA 1.312 14 residues pruned to eliminate duplicates Z: 19 10.249 1.685 0.398 0.432 0.778 0.333 CB 1.416 15 residues pruned to eliminate duplicates Z: 12 20.890 2.054 0.591 0.916 0.909 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 11 5.359 1.589 0.067 0.551 0.900 0.600 CB 1.057 Z: 17 31.922 2.010 0.851 0.927 1.000 0.938 CB 1.503 17 residues pruned to eliminate duplicates Z: 17 10.198 1.770 0.401 0.421 0.875 0.625 CA 1.276 10 residues pruned to eliminate duplicates Z: 6 2.751 1.540 -0.048 0.511 0.800 0.600 O 1.037 Z: 18 6.833 1.799 0.174 0.269 0.824 0.471 CB 1.240 18 residues pruned to eliminate duplicates Z: 8 6.373 1.715 0.434 0.403 0.857 0.429 O 1.266 4 residues pruned to eliminate duplicates Z: 40 25.275 2.033 0.539 0.475 0.949 0.641 CB 1.398 40 residues pruned to eliminate duplicates Z: 15 9.461 1.809 0.436 0.544 0.929 0.500 CB 1.005 16 residues pruned to eliminate duplicates Z: 20 10.395 1.811 0.192 0.365 0.895 0.684 CB 1.427 20 residues pruned to eliminate duplicates 6 1.834 1.388 0.670 0.100 0.600 0.400 N 0.983 ? Z: 23 9.415 1.770 0.545 0.286 0.727 0.500 CB 1.285 23 residues pruned to eliminate duplicates Z: 14 17.476 1.886 0.717 0.848 0.846 0.769 CB 1.313 14 residues pruned to eliminate duplicates Z: 14 14.597 1.802 0.525 0.893 1.000 0.923 CB 1.057 14 residues pruned to eliminate duplicates Z: 10 8.625 1.497 0.771 0.765 0.889 0.778 CB 0.965 12 residues pruned to eliminate duplicates Z: 14 19.893 1.952 0.633 0.882 1.000 0.615 CA 1.252 14 residues pruned to eliminate duplicates Z: 15 25.133 1.990 0.720 0.904 0.929 0.857 CB 1.505 15 residues pruned to eliminate duplicates Z: 14 15.147 1.857 0.421 0.851 1.000 0.615 CB 1.178 14 residues pruned to eliminate duplicates Z: 6 5.030 1.839 0.779 0.583 0.800 0.600 CB 0.794 Z: 7 9.511 1.530 1.108 0.792 0.833 0.833 O 1.118 7 residues pruned to eliminate duplicates Z: 18 23.665 1.689 0.908 0.924 1.000 0.765 CA 1.251 18 residues pruned to eliminate duplicates 6 1.081 1.726 0.096 0.279 0.600 0.600 CB 0.546 ? Z: 12 8.130 1.627 0.720 0.428 0.727 0.545 CB 1.298 12 residues pruned to eliminate duplicates Z: 19 25.951 1.996 0.850 0.924 1.000 0.889 CB 1.164 19 residues pruned to eliminate duplicates Z: 10 4.959 1.377 0.453 0.323 0.889 0.444 O 1.130 Z: 6 2.415 1.182 0.006 0.397 1.000 0.400 O 1.013 Z: 7 5.914 1.720 0.955 0.539 0.833 0.500 CB 0.829 7 residues pruned to eliminate duplicates Z: 14 14.902 1.911 0.313 0.870 0.923 0.846 CB 1.303 14 residues pruned to eliminate duplicates Z: 6 6.685 1.510 0.511 0.770 1.000 0.800 CB 1.032 Z: 15 16.068 1.573 0.833 0.737 0.929 0.786 O 1.296 15 residues pruned to eliminate duplicates Z: 16 22.298 1.833 1.013 0.875 0.933 0.333 CB 1.216 16 residues pruned to eliminate duplicates Z: 14 10.710 1.759 0.530 0.467 0.846 0.538 CB 1.349 13 residues pruned to eliminate duplicates Z: 8 3.913 1.635 0.471 0.286 0.714 0.286 CA 1.095 8 residues pruned to eliminate duplicates Z: 7 7.731 1.802 0.752 0.665 0.833 0.833 CB 1.030 Z: 12 12.597 1.773 0.516 0.821 0.909 0.818 CB 1.177 12 residues pruned to eliminate duplicates Z: 9 16.033 1.991 0.767 0.885 1.000 0.875 CA 1.163 9 residues pruned to eliminate duplicates Z: 8 4.964 1.566 0.323 0.798 1.000 1.000 CB 0.697 8 residues pruned to eliminate duplicates Z: 16 20.931 1.715 0.786 0.910 1.000 0.933 CA 1.251 16 residues pruned to eliminate duplicates Z: 7 6.601 1.483 0.688 0.735 0.833 0.500 CA 1.046 7 residues pruned to eliminate duplicates Z: 9 14.095 1.634 0.860 0.784 1.000 0.625 CA 1.277 9 residues pruned to eliminate duplicates Z: 9 10.888 1.879 0.501 0.738 1.000 0.750 CB 1.103 9 residues pruned to eliminate duplicates 7 1.587 1.366 0.822 0.241 0.667 0.333 O 0.527 ? Z: 10 7.654 1.463 0.656 0.745 1.000 0.556 CB 0.845 10 residues pruned to eliminate duplicates Z: 7 5.043 1.600 0.398 0.597 0.833 0.333 N 1.007 7 residues pruned to eliminate duplicates Z: 19 7.159 1.882 0.128 0.325 0.889 0.556 CB 1.085 19 residues pruned to eliminate duplicates Z: 28 25.797 1.949 0.715 0.596 0.963 0.741 CB 1.407 28 residues pruned to eliminate duplicates Z: 11 12.036 1.647 0.552 0.830 1.000 0.900 CA 1.119 11 residues pruned to eliminate duplicates Z: 10 7.982 1.683 0.278 0.859 0.889 0.778 CB 1.024 10 residues pruned to eliminate duplicates Z: 15 15.966 1.816 0.564 0.901 1.000 0.786 CB 1.072 13 residues pruned to eliminate duplicates Z: 7 5.730 1.734 -0.010 0.685 1.000 1.000 CB 1.150 9 residues pruned to eliminate duplicates Z: 6 2.065 1.450 0.058 0.373 0.600 0.400 N 1.149 Z: 8 3.722 1.608 0.150 0.376 0.714 0.286 CB 1.217 Z: 9 15.466 2.013 0.461 0.687 1.000 0.625 CB 1.567 9 residues pruned to eliminate duplicates Z: 13 15.662 1.677 0.550 0.910 1.000 0.917 CA 1.234 13 residues pruned to eliminate duplicates Z: 19 16.486 1.662 0.504 0.862 0.944 0.556 CA 1.208 18 residues pruned to eliminate duplicates Z: 7 6.858 1.727 0.326 0.538 0.833 0.500 CB 1.412 7 residues pruned to eliminate duplicates Z: 12 10.360 2.036 0.111 0.735 0.909 0.818 CA 1.230 12 residues pruned to eliminate duplicates Z: 10 6.836 1.517 0.342 0.714 0.778 0.667 CA 1.186 10 residues pruned to eliminate duplicates Z: 14 11.654 1.927 0.433 0.347 0.923 0.769 CA 1.497 14 residues pruned to eliminate duplicates Z: 6 3.773 1.577 0.244 0.524 1.000 0.800 CB 0.841 6 1.416 1.128 0.611 0.299 0.800 0.600 CB 0.545 ? Z: 14 7.724 1.675 0.263 0.417 0.846 0.769 CB 1.305 14 residues pruned to eliminate duplicates Z: 6 2.508 1.478 0.685 0.297 0.600 0.400 N 0.941 Z: 6 2.058 1.279 0.645 0.436 1.000 0.800 CB 0.468 Z: 12 13.891 1.828 0.460 0.712 0.909 0.455 N 1.424 12 residues pruned to eliminate duplicates Z: 16 16.761 1.724 0.578 0.896 0.933 0.733 CA 1.221 16 residues pruned to eliminate duplicates Z: 10 13.977 1.582 0.725 0.785 1.000 0.889 N 1.328 10 residues pruned to eliminate duplicates Z: 17 17.356 1.814 0.401 0.890 0.938 0.750 CA 1.311 18 residues pruned to eliminate duplicates 6 1.710 1.440 -0.193 0.358 0.800 0.400 CB 0.959 ? Z: 10 2.756 1.508 0.241 0.498 0.778 0.667 CB 0.633 10 residues pruned to eliminate duplicates Z: 11 12.361 1.751 0.828 0.556 0.800 0.600 CB 1.446 11 residues pruned to eliminate duplicates Z: 13 23.872 2.107 0.624 0.911 1.000 0.833 CA 1.428 13 residues pruned to eliminate duplicates Z: 12 18.597 1.681 1.080 0.938 1.000 0.273 CB 1.115 12 residues pruned to eliminate duplicates Z: 14 8.667 1.814 0.499 0.449 0.846 0.615 CB 1.101 7 residues pruned to eliminate duplicates Z: 7 2.343 1.182 0.427 0.715 0.833 0.333 CB 0.560 Z: 8 2.284 1.351 0.273 0.296 0.714 0.286 N 0.882 Z: 18 16.045 1.790 0.614 0.603 0.941 0.765 CA 1.297 18 residues pruned to eliminate duplicates Z: 14 17.073 1.822 0.624 0.902 1.000 0.846 CB 1.142 14 residues pruned to eliminate duplicates 6 1.920 1.425 0.383 0.449 0.600 0.400 CB 0.765 ? Z: 12 12.109 1.465 0.702 0.874 1.000 0.636 CB 1.065 11 residues pruned to eliminate duplicates Z: 6 2.051 1.276 0.465 0.319 0.800 0.600 N 0.749 6 residues pruned to eliminate duplicates Z: 23 20.553 1.951 0.358 0.617 1.000 0.818 CB 1.480 33 residues pruned to eliminate duplicates Z: 11 13.985 1.996 0.385 0.627 1.000 0.700 CB 1.419 11 residues pruned to eliminate duplicates Z: 12 6.833 1.493 0.254 0.543 1.000 0.636 CB 1.055 10 residues pruned to eliminate duplicates Z: 23 22.589 2.013 0.656 0.596 0.955 0.818 CA 1.381 23 residues pruned to eliminate duplicates Z: 6 5.409 1.493 0.049 0.684 1.000 0.800 CB 1.304 Z: 24 16.442 1.787 0.493 0.481 0.913 0.565 CA 1.434 16 residues pruned to eliminate duplicates Z: 22 15.215 1.957 0.441 0.491 0.857 0.667 CB 1.386 22 residues pruned to eliminate duplicates Z: 13 9.031 1.881 0.400 0.471 0.917 0.667 CB 1.112 14 residues pruned to eliminate duplicates Z: 16 15.867 1.715 0.685 0.877 0.933 0.533 CB 1.103 16 residues pruned to eliminate duplicates Z: 12 6.407 1.816 0.200 0.370 0.818 0.545 CB 1.246 12 residues pruned to eliminate duplicates Z: 6 2.443 1.100 0.327 0.468 1.000 0.800 O 0.773 Z: 10 6.809 1.508 0.644 0.389 1.000 0.444 CB 1.029 5 residues pruned to eliminate duplicates Z: 18 10.737 1.844 0.589 0.246 0.824 0.529 CB 1.447 18 residues pruned to eliminate duplicates Z: 16 22.327 1.904 0.611 0.899 1.000 0.533 CB 1.343 16 residues pruned to eliminate duplicates Z: 14 17.626 2.148 0.405 0.697 0.923 0.692 CA 1.466 14 residues pruned to eliminate duplicates Z: 9 9.717 1.760 0.573 0.850 0.875 0.750 CB 1.050 9 residues pruned to eliminate duplicates Z: 6 2.383 1.325 0.783 0.384 0.600 0.400 CA 0.851 Z: 8 4.586 1.413 0.419 0.570 0.857 0.857 CB 0.943 Z: 7 6.168 1.538 0.541 0.440 1.000 0.667 CB 1.130 6 residues pruned to eliminate duplicates Z: 27 12.370 1.815 0.386 0.352 0.808 0.462 CB 1.402 26 residues pruned to eliminate duplicates Z: 16 18.494 1.680 0.663 0.910 0.933 0.800 CA 1.299 16 residues pruned to eliminate duplicates Z: 9 8.905 1.649 0.571 0.774 0.875 0.875 CA 1.090 9 residues pruned to eliminate duplicates Z: 24 9.634 1.726 0.336 0.421 0.870 0.609 CB 1.088 24 residues pruned to eliminate duplicates Z: 6 3.466 1.450 0.166 0.498 0.800 0.400 N 1.148 8 1.550 0.980 0.115 0.393 0.857 0.571 CB 0.701 ? Z: 15 11.534 1.753 0.476 0.814 0.857 0.857 CA 1.057 15 residues pruned to eliminate duplicates Z: 6 6.398 1.959 0.002 0.796 0.800 0.800 CA 1.405 6 residues pruned to eliminate duplicates Z: 30 13.555 1.716 0.412 0.520 0.897 0.552 CB 1.136 30 residues pruned to eliminate duplicates Z: 10 3.800 1.510 -0.156 0.612 0.889 0.778 CB 1.006 10 residues pruned to eliminate duplicates Z: 11 12.968 1.834 0.555 0.769 1.000 0.700 CA 1.133 11 residues pruned to eliminate duplicates Z: 9 3.261 1.741 0.276 0.428 0.750 0.500 CB 0.745 9 residues pruned to eliminate duplicates Z: 9 11.743 1.655 0.779 0.789 0.875 0.750 CB 1.250 9 residues pruned to eliminate duplicates Z: 7 3.079 1.478 0.229 0.520 1.000 0.667 CA 0.679 Z: 16 14.469 1.967 0.532 0.418 0.933 0.533 CB 1.448 16 residues pruned to eliminate duplicates Z: 17 27.525 2.073 0.847 0.898 1.000 0.938 CB 1.285 17 residues pruned to eliminate duplicates Z: 16 12.231 1.810 0.717 0.454 0.800 0.467 CB 1.332 16 residues pruned to eliminate duplicates Z: 18 12.902 1.802 0.613 0.492 0.824 0.647 CB 1.318 18 residues pruned to eliminate duplicates Z: 23 7.896 1.680 0.293 0.395 0.818 0.636 CB 1.058 32 residues pruned to eliminate duplicates Z: 8 6.339 1.468 0.673 0.474 1.000 0.571 CB 1.001 8 residues pruned to eliminate duplicates Z: 9 5.719 1.686 0.224 0.473 0.875 0.625 N 1.151 9 residues pruned to eliminate duplicates Z: 9 5.978 1.500 0.260 0.484 1.000 0.625 CB 1.136 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 25 15.954 1.788 0.628 0.454 0.833 0.500 CA 1.407 25 residues pruned to eliminate duplicates Z: 18 14.349 1.825 0.526 0.506 0.941 0.647 CB 1.320 19 residues pruned to eliminate duplicates Z: 6 2.264 1.542 0.294 0.313 0.800 0.800 CB 0.780 6 residues pruned to eliminate duplicates Z: 23 18.812 1.812 0.583 0.480 1.000 0.545 CA 1.427 24 residues pruned to eliminate duplicates Z: 10 8.346 1.626 0.546 0.620 0.778 0.556 CA 1.270 10 residues pruned to eliminate duplicates Z: 26 18.327 1.761 0.587 0.465 0.960 0.520 CA 1.417 23 residues pruned to eliminate duplicates Z: 9 9.936 1.654 0.281 0.848 1.000 0.625 CA 1.230 9 residues pruned to eliminate duplicates Z: 26 17.417 1.756 0.499 0.465 0.960 0.720 CA 1.429 26 residues pruned to eliminate duplicates Z: 26 17.360 1.761 0.509 0.490 0.960 0.640 CA 1.375 26 residues pruned to eliminate duplicates Z: 8 10.082 1.724 0.439 0.861 0.857 0.429 CB 1.317 8 residues pruned to eliminate duplicates Z: 25 20.443 1.815 0.662 0.470 0.958 0.542 CA 1.489 26 residues pruned to eliminate duplicates Z: 11 9.547 1.562 0.386 0.643 1.000 0.700 CA 1.220 11 residues pruned to eliminate duplicates Z: 25 19.277 1.775 0.683 0.481 0.917 0.583 CB 1.465 25 residues pruned to eliminate duplicates Z: 24 19.455 1.814 0.583 0.451 1.000 0.652 CB 1.487 24 residues pruned to eliminate duplicates Z: 24 17.112 1.799 0.561 0.469 0.957 0.565 CB 1.371 24 residues pruned to eliminate duplicates Z: 27 15.611 1.751 0.496 0.426 0.923 0.538 CA 1.368 27 residues pruned to eliminate duplicates Z: 25 18.004 1.776 0.637 0.436 0.958 0.583 CA 1.409 25 residues pruned to eliminate duplicates Z: 25 16.455 1.798 0.603 0.457 0.875 0.625 CB 1.392 25 residues pruned to eliminate duplicates Z: 23 16.995 1.810 0.592 0.440 0.955 0.545 CB 1.402 23 residues pruned to eliminate duplicates Z: 28 11.087 1.651 0.531 0.360 0.778 0.519 CB 1.262 28 residues pruned to eliminate duplicates Z: 6 3.910 1.599 0.322 0.336 0.800 0.400 N 1.237 5 residues pruned to eliminate duplicates Z: 6 2.759 1.580 0.029 0.396 0.800 0.800 CA 1.059 Z: 18 15.786 1.595 0.554 0.876 1.000 0.824 CA 1.122 17 residues pruned to eliminate duplicates Z: 17 17.762 1.677 0.623 0.840 0.938 0.688 CA 1.298 17 residues pruned to eliminate duplicates Z: 16 17.133 1.705 0.731 0.840 0.933 0.733 CA 1.199 16 residues pruned to eliminate duplicates Z: 18 15.887 1.656 0.923 0.704 0.882 0.471 CA 1.138 18 residues pruned to eliminate duplicates Z: 14 18.770 1.736 0.765 0.837 0.923 0.692 CA 1.376 14 residues pruned to eliminate duplicates Z: 12 18.360 1.699 1.082 0.857 0.909 0.727 CA 1.268 12 residues pruned to eliminate duplicates Z: 14 20.383 1.761 0.790 0.909 1.000 0.769 CA 1.273 14 residues pruned to eliminate duplicates Z: 17 22.404 1.715 0.887 0.861 0.938 0.750 CA 1.357 17 residues pruned to eliminate duplicates Z: 16 18.961 1.747 0.673 0.855 0.933 0.467 CB 1.325 16 residues pruned to eliminate duplicates Z: 15 18.954 1.692 0.742 0.853 1.000 0.429 CB 1.270 15 residues pruned to eliminate duplicates Z: 14 13.742 1.564 0.968 0.816 0.846 0.308 N 1.111 14 residues pruned to eliminate duplicates Z: 18 18.316 1.609 0.870 0.792 0.941 0.412 CA 1.214 18 residues pruned to eliminate duplicates Z: 16 18.396 1.656 0.900 0.735 0.933 0.600 CA 1.310 16 residues pruned to eliminate duplicates Z: 18 20.977 1.687 1.076 0.859 0.882 0.294 CA 1.212 18 residues pruned to eliminate duplicates Z: 19 18.740 1.640 0.980 0.825 0.833 0.333 CA 1.232 19 residues pruned to eliminate duplicates Z: 20 22.085 1.654 1.035 0.913 0.947 0.632 CA 1.125 20 residues pruned to eliminate duplicates Z: 19 23.565 1.643 0.977 0.897 1.000 0.389 CB 1.224 21 residues pruned to eliminate duplicates Z: 19 25.228 1.653 1.100 0.896 0.944 0.556 CA 1.299 19 residues pruned to eliminate duplicates Z: 6 4.518 1.373 0.882 0.414 0.800 0.400 O 1.070 6 residues pruned to eliminate duplicates Z: 6 11.795 2.091 0.693 0.524 1.000 1.000 CA 1.456 6 residues pruned to eliminate duplicates Z: 13 14.313 1.981 0.640 0.540 0.917 0.583 CB 1.335 13 residues pruned to eliminate duplicates Z: 13 12.424 1.904 0.501 0.562 0.833 0.333 CB 1.417 13 residues pruned to eliminate duplicates Z: 22 19.030 1.956 0.407 0.574 0.905 0.667 CA 1.552 21 residues pruned to eliminate duplicates Z: 6 8.124 1.591 0.825 0.664 0.800 0.800 N 1.343 6 residues pruned to eliminate duplicates Z: 23 18.080 1.905 0.592 0.620 0.818 0.636 CB 1.387 22 residues pruned to eliminate duplicates Z: 7 6.187 1.812 0.184 0.480 1.000 0.333 CA 1.201 7 residues pruned to eliminate duplicates Z: 15 14.977 1.953 0.735 0.462 0.857 0.429 CB 1.433 15 residues pruned to eliminate duplicates Z: 23 19.833 1.950 0.515 0.616 0.909 0.500 CA 1.411 23 residues pruned to eliminate duplicates Z: 18 13.199 1.846 0.490 0.567 0.824 0.588 CB 1.324 18 residues pruned to eliminate duplicates Z: 14 19.973 1.878 0.531 0.787 1.000 0.692 CA 1.497 14 residues pruned to eliminate duplicates Z: 28 19.517 1.851 0.569 0.576 0.889 0.444 CB 1.352 28 residues pruned to eliminate duplicates Z: 10 15.544 1.942 0.602 0.904 0.889 0.889 CA 1.334 10 residues pruned to eliminate duplicates Z: 28 21.997 1.886 0.499 0.622 0.963 0.593 CB 1.386 29 residues pruned to eliminate duplicates Z: 11 22.374 1.788 0.903 0.858 1.000 0.700 CA 1.531 11 residues pruned to eliminate duplicates Z: 12 14.641 1.875 0.841 0.569 0.818 0.455 N 1.462 12 residues pruned to eliminate duplicates Z: 14 15.263 1.804 0.686 0.696 0.846 0.538 CB 1.375 14 residues pruned to eliminate duplicates Z: 12 22.762 2.004 0.806 0.828 0.909 0.364 CA 1.571 12 residues pruned to eliminate duplicates Z: 10 22.622 1.924 1.256 0.767 0.889 0.667 N 1.542 11 residues pruned to eliminate duplicates Z: 15 24.426 1.768 0.880 0.893 1.000 0.714 CB 1.410 12 residues pruned to eliminate duplicates Z: 16 16.780 1.712 0.685 0.849 0.867 0.600 CB 1.285 16 residues pruned to eliminate duplicates Z: 13 15.867 1.877 0.941 0.842 0.833 0.417 CB 1.124 13 residues pruned to eliminate duplicates Z: 10 14.026 1.973 0.745 0.845 0.889 0.667 CB 1.136 10 residues pruned to eliminate duplicates Z: 12 13.765 1.919 0.672 0.858 1.000 0.636 CB 0.953 12 residues pruned to eliminate duplicates Z: 13 9.506 1.826 0.570 0.544 0.833 0.417 CB 1.100 13 residues pruned to eliminate duplicates Z: 9 18.059 2.085 0.727 0.912 1.000 0.750 CB 1.255 9 residues pruned to eliminate duplicates Z: 9 16.530 1.988 0.566 0.907 1.000 0.625 CA 1.334 9 residues pruned to eliminate duplicates Z: 10 17.069 2.013 0.777 0.895 1.000 0.778 CB 1.140 10 residues pruned to eliminate duplicates Z: 10 14.684 1.924 0.656 0.872 1.000 0.556 CB 1.120 10 residues pruned to eliminate duplicates Z: 10 17.910 2.013 0.840 0.910 1.000 0.778 CB 1.144 10 residues pruned to eliminate duplicates Z: 20 19.512 1.947 0.652 0.673 0.895 0.684 CB 1.327 20 residues pruned to eliminate duplicates Z: 19 16.390 1.958 0.900 0.620 0.833 0.500 CB 1.112 19 residues pruned to eliminate duplicates Z: 18 21.856 2.013 0.782 0.722 0.941 0.765 CB 1.285 18 residues pruned to eliminate duplicates Z: 18 19.909 1.998 0.652 0.765 0.941 0.647 CB 1.229 18 residues pruned to eliminate duplicates Z: 26 16.731 1.884 0.695 0.576 0.880 0.600 CB 1.106 26 residues pruned to eliminate duplicates Z: 18 20.513 2.028 0.853 0.748 0.882 0.765 CB 1.203 18 residues pruned to eliminate duplicates Z: 26 18.097 1.924 0.821 0.535 0.920 0.680 CB 1.085 24 residues pruned to eliminate duplicates Z: 15 26.901 1.997 1.062 0.819 1.000 0.571 CB 1.323 23 residues pruned to eliminate duplicates Z: 16 22.354 1.938 0.793 0.813 0.933 0.800 CB 1.355 16 residues pruned to eliminate duplicates Z: 51 19.512 1.794 0.659 0.411 0.880 0.580 CB 1.156 42 residues pruned to eliminate duplicates Z: 14 21.259 2.123 0.890 0.832 0.846 0.692 CB 1.304 14 residues pruned to eliminate duplicates Z: 20 13.541 1.891 0.793 0.519 0.842 0.632 CB 1.067 19 residues pruned to eliminate duplicates Z: 13 15.877 2.209 0.280 0.754 0.917 0.750 CA 1.410 13 residues pruned to eliminate duplicates Z: 15 17.545 2.186 0.461 0.730 0.857 0.786 CA 1.392 15 residues pruned to eliminate duplicates Z: 28 20.319 1.929 0.519 0.498 0.889 0.481 CA 1.505 29 residues pruned to eliminate duplicates Z: 14 23.799 2.020 0.721 0.856 1.000 0.846 CA 1.401 14 residues pruned to eliminate duplicates Z: 18 25.014 2.079 0.666 0.676 0.941 0.706 CA 1.582 22 residues pruned to eliminate duplicates Z: 14 29.344 2.035 0.905 0.908 1.000 0.769 CA 1.491 14 residues pruned to eliminate duplicates Z: 12 14.767 2.040 0.688 0.572 0.727 0.545 CB 1.658 12 residues pruned to eliminate duplicates Z: 21 18.642 1.940 0.656 0.589 0.850 0.400 CA 1.401 21 residues pruned to eliminate duplicates Z: 13 16.842 1.997 0.902 0.579 0.750 0.583 CA 1.582 13 residues pruned to eliminate duplicates Z: 19 22.335 2.041 0.456 0.673 1.000 0.722 CA 1.509 19 residues pruned to eliminate duplicates Z: 22 19.389 1.979 0.411 0.565 0.905 0.762 CB 1.572 22 residues pruned to eliminate duplicates Z: 17 19.679 2.154 0.301 0.709 0.938 0.750 CA 1.549 17 residues pruned to eliminate duplicates Z: 14 23.412 2.137 0.695 0.807 1.000 0.538 CA 1.372 14 residues pruned to eliminate duplicates Z: 20 19.770 2.050 0.401 0.612 0.895 0.632 CA 1.588 20 residues pruned to eliminate duplicates Z: 30 19.721 1.909 0.572 0.513 0.828 0.483 CA 1.456 30 residues pruned to eliminate duplicates Z: 19 23.575 2.078 0.732 0.612 0.889 0.556 CA 1.562 19 residues pruned to eliminate duplicates Z: 6 3.072 1.756 0.371 0.208 0.600 0.200 C 1.343 6 residues pruned to eliminate duplicates Z: 7 5.769 1.938 0.097 0.555 0.833 0.500 CA 1.261 7 residues pruned to eliminate duplicates Z: 7 6.911 1.892 0.520 0.478 0.833 0.667 CA 1.204 7 residues pruned to eliminate duplicates Z: 29 20.009 1.980 0.687 0.509 0.750 0.571 CB 1.496 29 residues pruned to eliminate duplicates Z: 11 7.112 1.806 0.282 0.306 1.000 0.300 CB 1.206 11 residues pruned to eliminate duplicates Z: 8 11.215 1.966 0.839 0.449 1.000 0.429 CB 1.235 8 residues pruned to eliminate duplicates Z: 11 8.717 1.849 0.541 0.341 0.900 0.400 CB 1.278 11 residues pruned to eliminate duplicates Z: 7 10.863 2.046 0.504 0.491 1.000 0.500 CA 1.454 7 residues pruned to eliminate duplicates Z: 29 22.361 1.977 0.630 0.512 0.929 0.536 CB 1.395 29 residues pruned to eliminate duplicates Z: 9 10.564 1.939 0.682 0.408 1.000 0.375 CB 1.261 9 residues pruned to eliminate duplicates Z: 11 9.759 1.652 0.427 0.717 1.000 0.700 CB 1.076 10 residues pruned to eliminate duplicates Z: 13 10.381 1.578 0.446 0.909 1.000 0.917 CA 0.932 13 residues pruned to eliminate duplicates Z: 9 12.040 1.781 0.445 0.885 1.000 0.875 CB 1.194 9 residues pruned to eliminate duplicates Z: 12 10.795 1.603 0.564 0.914 1.000 1.000 CA 0.918 12 residues pruned to eliminate duplicates Z: 10 11.049 1.728 0.543 0.907 1.000 1.000 CA 0.982 10 residues pruned to eliminate duplicates Z: 10 11.520 1.734 0.646 0.866 1.000 0.778 CA 0.984 10 residues pruned to eliminate duplicates Z: 10 10.240 1.633 0.805 0.719 0.889 0.778 CA 1.069 10 residues pruned to eliminate duplicates Z: 11 11.182 1.691 0.468 0.903 1.000 0.900 CA 1.015 11 residues pruned to eliminate duplicates Z: 10 11.776 1.731 0.621 0.918 1.000 1.000 CA 0.987 10 residues pruned to eliminate duplicates Z: 11 13.072 1.682 0.741 0.878 1.000 0.800 CA 1.024 11 residues pruned to eliminate duplicates Z: 11 7.516 1.581 0.716 0.798 0.900 0.800 CA 0.750 11 residues pruned to eliminate duplicates Z: 7 3.855 1.835 0.596 0.293 0.500 0.333 O 1.355 7 residues pruned to eliminate duplicates Z: 14 4.774 1.793 0.256 0.219 0.769 0.385 CB 1.064 10 residues pruned to eliminate duplicates Z: 6 4.509 1.457 0.634 0.191 1.000 0.600 O 1.226 6 residues pruned to eliminate duplicates Z: 7 8.241 1.895 0.393 0.430 1.000 0.833 CA 1.371 7 residues pruned to eliminate duplicates Z: 61 22.158 1.862 0.509 0.463 0.867 0.467 CB 1.220 61 residues pruned to eliminate duplicates Z: 19 10.548 1.891 0.373 0.286 0.944 0.500 CB 1.290 19 residues pruned to eliminate duplicates Z: 45 26.599 1.926 0.704 0.489 0.909 0.591 CB 1.359 45 residues pruned to eliminate duplicates Z: 15 8.276 1.890 0.501 0.345 0.929 0.429 CB 0.994 15 residues pruned to eliminate duplicates Z: 29 7.629 1.692 0.227 0.228 0.893 0.500 CB 1.068 29 residues pruned to eliminate duplicates Z: 14 10.651 1.902 0.665 0.405 0.923 0.692 CB 1.116 14 residues pruned to eliminate duplicates Z: 34 10.581 1.791 0.280 0.326 0.939 0.576 CB 1.035 34 residues pruned to eliminate duplicates Z: 33 11.161 1.832 0.265 0.296 0.938 0.562 CB 1.141 33 residues pruned to eliminate duplicates Z: 33 14.621 1.830 0.498 0.411 0.938 0.625 CB 1.104 33 residues pruned to eliminate duplicates Z: 8 4.201 1.618 0.093 0.464 1.000 0.714 CB 0.932 8 residues pruned to eliminate duplicates Z: 8 3.344 1.810 -0.035 0.288 1.000 0.429 CB 0.919 8 residues pruned to eliminate duplicates 6 1.951 1.612 0.354 0.150 0.800 0.400 CB 0.769 ? Z: 33 19.715 1.854 0.627 0.475 0.875 0.594 CB 1.354 33 residues pruned to eliminate duplicates Z: 18 6.476 1.745 0.266 0.407 0.765 0.294 CB 1.025 18 residues pruned to eliminate duplicates Z: 8 4.908 1.810 0.463 0.391 1.000 0.429 CB 0.786 8 residues pruned to eliminate duplicates Z: 15 8.018 1.864 0.434 0.450 0.929 0.571 CB 0.909 15 residues pruned to eliminate duplicates Z: 18 6.403 1.745 0.297 0.330 0.882 0.412 CB 0.937 18 residues pruned to eliminate duplicates Z: 12 6.989 1.817 0.118 0.507 0.909 0.364 CB 1.134 12 residues pruned to eliminate duplicates Z: 9 4.544 1.813 0.298 0.489 0.625 0.375 CB 1.105 9 residues pruned to eliminate duplicates Z: 35 23.290 1.893 0.617 0.538 0.941 0.559 CB 1.335 35 residues pruned to eliminate duplicates Z: 38 23.703 1.930 0.510 0.535 0.919 0.622 CB 1.406 38 residues pruned to eliminate duplicates Z: 25 7.629 1.672 0.337 0.383 0.792 0.458 CB 0.996 25 residues pruned to eliminate duplicates Z: 46 25.872 1.908 0.544 0.530 0.911 0.600 CB 1.394 47 residues pruned to eliminate duplicates Z: 16 26.819 2.084 0.735 0.802 1.000 0.867 CA 1.471 16 residues pruned to eliminate duplicates Z: 34 24.451 1.930 0.619 0.526 0.939 0.758 CB 1.413 30 residues pruned to eliminate duplicates Z: 14 24.292 2.135 0.531 0.921 1.000 0.846 CA 1.450 14 residues pruned to eliminate duplicates Z: 32 21.216 1.885 0.621 0.506 0.935 0.710 CA 1.325 32 residues pruned to eliminate duplicates Z: 23 22.941 2.009 0.767 0.538 0.909 0.727 CA 1.460 23 residues pruned to eliminate duplicates Z: 27 26.566 1.977 0.753 0.551 1.000 0.808 CA 1.432 27 residues pruned to eliminate duplicates Z: 31 25.979 1.897 0.723 0.551 0.967 0.567 CB 1.429 31 residues pruned to eliminate duplicates Z: 29 25.130 1.981 0.656 0.553 0.929 0.786 CA 1.480 33 residues pruned to eliminate duplicates Z: 14 26.946 2.032 1.013 0.855 0.846 0.615 CA 1.593 14 residues pruned to eliminate duplicates Z: 30 26.043 1.952 0.626 0.588 0.966 0.655 CA 1.450 30 residues pruned to eliminate duplicates Z: 42 22.883 1.939 0.531 0.490 0.927 0.561 CB 1.313 30 residues pruned to eliminate duplicates Z: 14 26.421 2.098 0.881 0.878 0.923 0.692 CA 1.460 14 residues pruned to eliminate duplicates Z: 32 22.179 1.868 0.675 0.554 0.871 0.581 CB 1.386 43 residues pruned to eliminate duplicates Z: 16 29.041 1.933 1.083 0.885 1.000 0.533 CA 1.345 16 residues pruned to eliminate duplicates Z: 10 12.715 1.735 0.733 0.711 0.889 0.667 CB 1.309 10 residues pruned to eliminate duplicates Z: 18 18.953 1.728 0.580 0.899 1.000 0.765 CB 1.204 18 residues pruned to eliminate duplicates Z: 11 12.842 1.769 0.566 0.813 0.800 0.400 CA 1.396 11 residues pruned to eliminate duplicates Z: 15 17.084 1.869 0.732 0.817 0.857 0.857 CB 1.250 15 residues pruned to eliminate duplicates Z: 16 8.055 1.609 0.471 0.443 0.800 0.667 CB 1.165 16 residues pruned to eliminate duplicates Z: 16 20.046 1.773 0.785 0.865 1.000 0.600 CB 1.199 16 residues pruned to eliminate duplicates Z: 17 21.960 1.834 0.765 0.873 0.938 0.562 CB 1.317 17 residues pruned to eliminate duplicates Z: 16 19.318 1.825 0.803 0.833 0.867 0.733 CB 1.312 16 residues pruned to eliminate duplicates Z: 17 17.918 1.812 0.727 0.722 0.938 0.625 CB 1.249 17 residues pruned to eliminate duplicates Z: 15 20.087 1.859 0.692 0.838 0.929 0.571 CB 1.373 15 residues pruned to eliminate duplicates Z: 15 18.095 1.855 0.632 0.826 0.857 0.643 CA 1.405 15 residues pruned to eliminate duplicates Z: 17 17.326 1.821 0.752 0.680 0.875 0.500 CB 1.315 17 residues pruned to eliminate duplicates Z: 17 16.776 1.808 0.418 0.824 0.938 0.688 CB 1.318 17 residues pruned to eliminate duplicates Z: 16 20.732 1.807 0.895 0.887 0.933 0.867 CB 1.208 16 residues pruned to eliminate duplicates Z: 6 3.887 1.534 0.148 0.645 0.800 0.400 CB 1.078 6 residues pruned to eliminate duplicates Z: 16 21.496 1.801 0.836 0.873 0.933 0.533 CA 1.310 16 residues pruned to eliminate duplicates Z: 17 22.154 1.826 0.720 0.909 0.938 0.875 CA 1.335 17 residues pruned to eliminate duplicates Z: 14 21.790 1.979 0.755 0.822 0.923 0.769 CB 1.426 14 residues pruned to eliminate duplicates Z: 12 27.790 2.102 0.756 0.900 1.000 0.818 CA 1.621 13 residues pruned to eliminate duplicates Z: 13 20.868 2.007 0.590 0.912 0.917 0.833 CA 1.458 13 residues pruned to eliminate duplicates Z: 13 22.940 2.038 0.633 0.850 0.917 0.833 CA 1.609 13 residues pruned to eliminate duplicates Z: 13 22.515 2.015 0.699 0.822 1.000 0.750 CB 1.435 13 residues pruned to eliminate duplicates Z: 13 26.691 2.007 0.747 0.906 1.000 0.917 CA 1.564 12 residues pruned to eliminate duplicates Z: 12 22.475 2.051 0.714 0.904 1.000 0.727 CB 1.373 12 residues pruned to eliminate duplicates Z: 13 18.420 1.903 0.742 0.824 0.917 0.833 CB 1.322 13 residues pruned to eliminate duplicates Z: 15 17.154 1.886 0.745 0.827 0.929 0.571 CB 1.130 14 residues pruned to eliminate duplicates Z: 14 14.575 1.930 0.721 0.848 0.769 0.538 CB 1.173 13 residues pruned to eliminate duplicates Z: 14 23.374 1.905 0.668 0.914 1.000 0.538 CA 1.443 15 residues pruned to eliminate duplicates Z: 14 22.972 1.975 0.684 0.889 1.000 0.692 CB 1.379 14 residues pruned to eliminate duplicates Z: 21 15.701 1.922 0.731 0.495 0.850 0.500 CB 1.248 20 residues pruned to eliminate duplicates Z: 7 4.123 1.430 0.603 0.376 1.000 0.833 CB 0.838 7 residues pruned to eliminate duplicates Z: 33 17.687 1.792 0.706 0.511 0.938 0.594 CB 1.080 34 residues pruned to eliminate duplicates Z: 18 21.878 2.101 0.346 0.809 0.941 0.941 CA 1.523 18 residues pruned to eliminate duplicates Z: 23 31.076 2.069 0.685 0.724 1.000 0.864 CA 1.552 23 residues pruned to eliminate duplicates Z: 29 22.664 1.946 0.420 0.646 0.893 0.750 CA 1.515 24 residues pruned to eliminate duplicates Z: 15 30.844 2.134 0.697 0.895 1.000 0.857 CA 1.631 15 residues pruned to eliminate duplicates Z: 23 27.963 2.069 0.767 0.672 0.909 0.773 CB 1.531 29 residues pruned to eliminate duplicates Z: 14 32.175 2.124 0.774 0.899 1.000 0.769 CA 1.693 14 residues pruned to eliminate duplicates Z: 23 31.044 2.080 0.802 0.645 0.955 0.591 CB 1.615 23 residues pruned to eliminate duplicates Z: 24 25.628 2.035 0.974 0.563 0.826 0.522 CB 1.515 24 residues pruned to eliminate duplicates Z: 28 25.540 1.913 0.765 0.605 0.889 0.556 CA 1.482 25 residues pruned to eliminate duplicates Z: 15 36.118 2.100 0.987 0.917 1.000 0.500 CA 1.633 15 residues pruned to eliminate duplicates Z: 26 25.148 1.899 0.858 0.654 0.960 0.360 CB 1.287 26 residues pruned to eliminate duplicates Z: 27 25.793 1.986 0.797 0.622 0.846 0.500 CB 1.493 27 residues pruned to eliminate duplicates Z: 28 31.675 1.928 0.895 0.674 0.963 0.556 CB 1.476 26 residues pruned to eliminate duplicates Z: 15 30.340 2.116 0.762 0.898 0.929 0.643 CA 1.675 15 residues pruned to eliminate duplicates Z: 27 28.914 1.977 0.837 0.628 0.923 0.615 CB 1.499 27 residues pruned to eliminate duplicates Z: 19 10.416 1.849 0.522 0.418 0.833 0.278 CB 1.140 11 residues pruned to eliminate duplicates Z: 6 4.041 1.607 0.369 0.393 0.800 0.200 CA 1.150 6 residues pruned to eliminate duplicates Z: 36 31.324 1.954 1.033 0.616 0.914 0.429 CB 1.306 59 residues pruned to eliminate duplicates Z: 7 5.830 1.521 0.746 0.386 0.833 0.667 N 1.214 Z: 13 18.712 1.809 1.021 0.688 1.000 0.583 CA 1.244 4 residues pruned to eliminate duplicates Z: 10 18.725 1.955 0.873 0.745 1.000 0.778 CA 1.370 10 residues pruned to eliminate duplicates Z: 12 17.319 2.051 0.488 0.557 1.000 0.364 CB 1.619 12 residues pruned to eliminate duplicates Z: 10 17.682 2.107 0.765 0.590 0.889 0.222 CB 1.635 10 residues pruned to eliminate duplicates Z: 11 14.145 1.915 1.231 0.428 0.700 0.400 CB 1.612 11 residues pruned to eliminate duplicates Z: 38 18.717 1.847 0.439 0.576 0.811 0.568 CB 1.327 54 residues pruned to eliminate duplicates Z: 18 14.975 1.939 0.570 0.492 0.882 0.588 CB 1.364 Z: 7 22.124 2.077 1.018 0.847 1.000 0.833 CA 1.599 7 residues pruned to eliminate duplicates Z: 36 25.105 2.030 0.673 0.576 0.857 0.600 CB 1.355 54 residues pruned to eliminate duplicates Z: 9 7.241 1.939 0.194 0.544 0.750 0.625 CB 1.412 9 residues pruned to eliminate duplicates Z: 19 27.580 1.939 0.682 0.828 1.000 0.778 CA 1.501 19 residues pruned to eliminate duplicates Z: 32 28.552 1.928 0.738 0.661 0.903 0.645 CA 1.459 19 residues pruned to eliminate duplicates Z: 18 21.608 1.915 0.522 0.898 0.941 0.882 CA 1.367 18 residues pruned to eliminate duplicates Z: 18 22.556 1.989 0.421 0.845 0.941 0.765 CB 1.529 18 residues pruned to eliminate duplicates Z: 19 24.773 1.947 0.480 0.860 1.000 0.833 CA 1.490 19 residues pruned to eliminate duplicates Z: 19 23.245 1.946 0.407 0.874 1.000 0.889 CA 1.455 19 residues pruned to eliminate duplicates Z: 19 27.899 1.941 0.924 0.857 0.889 0.778 CB 1.459 19 residues pruned to eliminate duplicates Z: 35 28.004 1.869 0.862 0.627 0.912 0.588 CB 1.343 30 residues pruned to eliminate duplicates Z: 17 35.584 2.032 1.062 0.929 1.000 1.000 CB 1.486 22 residues pruned to eliminate duplicates Z: 18 35.007 2.001 0.971 0.936 1.000 0.882 CB 1.499 18 residues pruned to eliminate duplicates Z: 18 34.204 2.011 1.062 0.910 1.000 0.765 CB 1.419 18 residues pruned to eliminate duplicates Z: 17 34.125 2.049 1.002 0.914 1.000 0.812 CB 1.470 17 residues pruned to eliminate duplicates Z: 21 28.688 1.902 1.014 0.764 0.950 0.800 CB 1.395 21 residues pruned to eliminate duplicates Z: 19 31.145 1.953 0.890 0.855 1.000 0.778 CB 1.468 19 residues pruned to eliminate duplicates Z: 40 25.616 1.824 0.693 0.595 0.897 0.641 CB 1.351 33 residues pruned to eliminate duplicates Z: 18 36.332 2.005 1.151 0.935 1.000 0.824 CB 1.424 18 residues pruned to eliminate duplicates Z: 18 35.309 2.017 1.054 0.923 1.000 0.765 CB 1.453 18 residues pruned to eliminate duplicates Z: 9 9.784 2.000 0.332 0.587 1.000 0.875 CA 1.195 10 residues pruned to eliminate duplicates Z: 7 2.824 1.298 0.553 0.310 0.833 0.333 N 0.848 7 residues pruned to eliminate duplicates Z: 11 9.645 1.986 0.262 0.488 1.000 0.700 CA 1.231 11 residues pruned to eliminate duplicates Z: 6 5.219 1.616 0.785 0.469 0.800 0.800 CA 1.043 6 residues pruned to eliminate duplicates Z: 13 10.308 1.929 0.321 0.570 0.917 0.750 CA 1.190 12 residues pruned to eliminate duplicates Z: 6 3.148 1.816 0.123 0.243 0.800 0.200 CB 1.162 6 residues pruned to eliminate duplicates Z: 10 10.023 1.746 0.383 0.458 1.000 0.778 CA 1.444 10 residues pruned to eliminate duplicates Z: 17 14.464 1.839 0.475 0.453 1.000 0.500 CA 1.399 17 residues pruned to eliminate duplicates Z: 17 14.704 1.847 0.626 0.466 0.875 0.625 CA 1.449 18 residues pruned to eliminate duplicates Z: 6 2.804 1.224 0.542 0.453 0.800 0.600 N 0.871 6 residues pruned to eliminate duplicates Z: 24 14.159 1.803 0.351 0.394 0.957 0.609 CB 1.418 24 residues pruned to eliminate duplicates Z: 17 15.544 1.838 0.377 0.523 1.000 0.562 CA 1.502 17 residues pruned to eliminate duplicates Z: 18 11.544 1.735 0.517 0.381 0.882 0.471 CB 1.368 18 residues pruned to eliminate duplicates Z: 26 15.651 1.748 0.584 0.494 0.880 0.400 CB 1.292 25 residues pruned to eliminate duplicates Z: 7 3.551 1.813 0.288 0.322 0.833 0.667 CA 0.906 7 residues pruned to eliminate duplicates Z: 26 12.564 1.752 0.447 0.342 0.840 0.400 CB 1.402 26 residues pruned to eliminate duplicates Z: 25 11.668 1.813 0.353 0.286 0.875 0.458 CB 1.411 25 residues pruned to eliminate duplicates Z: 23 10.335 1.802 0.439 0.322 0.818 0.455 CB 1.263 23 residues pruned to eliminate duplicates 6 1.976 1.836 0.772 0.478 0.200 0.200 N 1.389 ? Z: 17 12.598 1.889 0.463 0.379 0.938 0.312 CB 1.384 17 residues pruned to eliminate duplicates Z: 10 8.471 1.760 0.617 0.441 0.778 0.222 CB 1.357 10 residues pruned to eliminate duplicates Z: 12 11.822 1.826 0.637 0.629 0.818 0.364 CB 1.291 12 residues pruned to eliminate duplicates Z: 35 15.205 1.747 0.601 0.362 0.853 0.471 CB 1.267 35 residues pruned to eliminate duplicates Z: 15 16.634 1.740 1.041 0.677 0.857 0.571 CB 1.241 17 residues pruned to eliminate duplicates Z: 9 11.157 1.636 0.692 0.719 1.000 0.500 CB 1.169 8 residues pruned to eliminate duplicates Z: 10 12.058 1.636 0.932 0.678 0.889 0.556 CB 1.215 10 residues pruned to eliminate duplicates Z: 9 10.364 1.623 0.726 0.712 1.000 0.750 CB 1.080 9 residues pruned to eliminate duplicates Z: 22 13.221 1.742 0.717 0.497 0.714 0.429 CB 1.356 22 residues pruned to eliminate duplicates Z: 15 13.815 1.708 0.756 0.600 0.929 0.357 CB 1.205 15 residues pruned to eliminate duplicates Z: 17 14.366 1.647 0.752 0.553 0.938 0.438 CB 1.261 17 residues pruned to eliminate duplicates Z: 24 23.002 1.864 0.823 0.693 0.957 0.696 CB 1.237 24 residues pruned to eliminate duplicates Z: 21 24.485 2.013 0.596 0.745 0.950 0.950 CB 1.442 21 residues pruned to eliminate duplicates Z: 18 29.449 1.982 0.921 0.770 1.000 0.706 CB 1.477 18 residues pruned to eliminate duplicates Z: 17 25.783 2.009 0.875 0.761 1.000 0.750 CA 1.358 17 residues pruned to eliminate duplicates Z: 18 27.339 2.050 0.871 0.745 1.000 0.824 CB 1.389 18 residues pruned to eliminate duplicates Z: 14 27.142 2.106 0.734 0.918 0.923 0.846 CA 1.574 14 residues pruned to eliminate duplicates Z: 22 25.358 1.967 0.831 0.711 0.905 0.762 CB 1.402 21 residues pruned to eliminate duplicates Z: 16 29.831 2.000 0.854 0.883 1.000 0.667 CB 1.502 16 residues pruned to eliminate duplicates Z: 21 22.482 1.996 0.735 0.667 0.950 0.600 CB 1.310 21 residues pruned to eliminate duplicates Z: 21 23.814 1.975 0.739 0.733 0.950 0.750 CB 1.324 21 residues pruned to eliminate duplicates Z: 21 27.640 1.977 0.931 0.749 1.000 0.850 CB 1.296 22 residues pruned to eliminate duplicates Z: 16 28.327 1.978 0.844 0.871 1.000 0.467 CB 1.463 16 residues pruned to eliminate duplicates Z: 21 24.922 1.984 0.894 0.690 0.950 0.600 CB 1.312 21 residues pruned to eliminate duplicates Z: 19 27.503 2.027 0.854 0.754 0.944 0.722 CA 1.456 19 residues pruned to eliminate duplicates Z: 21 30.654 2.001 0.937 0.777 1.000 0.650 CB 1.385 21 residues pruned to eliminate duplicates Z: 16 31.991 2.007 1.026 0.905 1.000 0.933 CA 1.446 16 residues pruned to eliminate duplicates Z: 21 27.144 1.927 0.928 0.667 0.950 0.400 CA 1.473 21 residues pruned to eliminate duplicates Z: 14 6.951 1.561 0.171 0.372 1.000 0.385 CB 1.210 Z: 7 5.276 1.667 0.399 0.220 1.000 0.333 O 1.284 7 residues pruned to eliminate duplicates Z: 11 7.081 1.749 0.155 0.352 0.900 0.400 CB 1.446 11 residues pruned to eliminate duplicates Z: 10 4.771 1.758 0.148 0.198 0.889 0.111 CB 1.269 10 residues pruned to eliminate duplicates Z: 10 4.152 1.785 0.029 0.214 0.889 0.444 CB 1.187 10 residues pruned to eliminate duplicates Z: 8 3.946 1.785 0.149 0.171 0.714 0.429 C 1.517 8 residues pruned to eliminate duplicates Z: 12 5.212 1.712 0.111 0.183 0.909 0.455 CB 1.331 12 residues pruned to eliminate duplicates Z: 12 3.078 1.601 0.090 0.249 0.636 0.364 CB 1.116 12 residues pruned to eliminate duplicates Z: 11 7.417 1.762 0.283 0.293 0.900 0.300 CA 1.455 13 residues pruned to eliminate duplicates Z: 8 4.695 1.652 0.479 0.612 0.714 0.571 CB 0.914 8 residues pruned to eliminate duplicates Z: 32 24.434 2.007 0.679 0.528 0.903 0.613 CB 1.402 32 residues pruned to eliminate duplicates Z: 34 23.140 1.977 0.556 0.547 0.909 0.545 CB 1.376 34 residues pruned to eliminate duplicates Z: 32 21.600 2.019 0.395 0.566 0.935 0.710 CB 1.381 32 residues pruned to eliminate duplicates Z: 45 24.766 1.988 0.552 0.495 0.909 0.523 CB 1.338 45 residues pruned to eliminate duplicates Z: 39 25.857 2.019 0.627 0.520 0.921 0.553 CB 1.359 39 residues pruned to eliminate duplicates Z: 46 25.554 1.994 0.536 0.560 0.889 0.644 CB 1.320 46 residues pruned to eliminate duplicates Z: 40 25.442 2.060 0.559 0.515 0.923 0.538 CB 1.354 40 residues pruned to eliminate duplicates Z: 47 24.884 2.002 0.476 0.528 0.913 0.500 CB 1.323 47 residues pruned to eliminate duplicates Z: 43 22.742 2.043 0.355 0.518 0.929 0.595 CB 1.342 43 residues pruned to eliminate duplicates Z: 39 27.775 2.067 0.642 0.490 0.974 0.658 CB 1.377 39 residues pruned to eliminate duplicates Z: 33 24.418 1.995 0.696 0.553 0.906 0.562 CB 1.337 33 residues pruned to eliminate duplicates Z: 29 24.997 2.021 0.666 0.555 0.929 0.679 CB 1.432 29 residues pruned to eliminate duplicates Z: 38 25.018 2.042 0.656 0.494 0.919 0.541 CB 1.332 38 residues pruned to eliminate duplicates Z: 34 25.916 2.086 0.487 0.568 0.970 0.758 CB 1.405 34 residues pruned to eliminate duplicates Z: 38 24.151 2.017 0.558 0.486 0.946 0.730 CB 1.354 38 residues pruned to eliminate duplicates Z: 32 22.312 2.027 0.504 0.545 0.935 0.613 CB 1.344 32 residues pruned to eliminate duplicates Z: 29 23.675 2.092 0.582 0.565 0.929 0.679 CB 1.367 29 residues pruned to eliminate duplicates Z: 41 24.502 1.997 0.613 0.539 0.900 0.600 CB 1.286 41 residues pruned to eliminate duplicates Z: 47 26.240 2.008 0.552 0.535 0.913 0.500 CB 1.314 48 residues pruned to eliminate duplicates Z: 14 31.023 2.213 0.877 0.886 1.000 0.462 CB 1.494 14 residues pruned to eliminate duplicates Z: 39 25.814 1.986 0.727 0.486 0.947 0.553 CB 1.307 39 residues pruned to eliminate duplicates Z: 44 25.917 2.040 0.551 0.493 0.930 0.558 CB 1.352 44 residues pruned to eliminate duplicates Z: 35 26.920 2.096 0.707 0.509 0.941 0.647 CB 1.358 35 residues pruned to eliminate duplicates Z: 33 22.683 2.040 0.676 0.489 0.875 0.594 CB 1.355 33 residues pruned to eliminate duplicates Z: 38 22.480 1.997 0.535 0.435 0.946 0.486 CB 1.363 38 residues pruned to eliminate duplicates Z: 52 25.617 1.997 0.569 0.473 0.902 0.490 CB 1.304 52 residues pruned to eliminate duplicates Z: 41 24.893 2.054 0.612 0.505 0.925 0.625 CB 1.278 41 residues pruned to eliminate duplicates Z: 15 10.714 1.911 0.577 0.434 0.857 0.429 CB 1.187 15 residues pruned to eliminate duplicates Z: 6 4.090 1.558 0.369 0.430 1.000 0.200 CA 0.922 6 residues pruned to eliminate duplicates Z: 15 11.724 1.898 0.609 0.482 0.786 0.571 CB 1.330 16 residues pruned to eliminate duplicates Z: 11 10.813 1.663 0.673 0.770 0.900 0.600 CB 1.076 8 residues pruned to eliminate duplicates Z: 12 4.523 1.473 0.720 0.603 0.545 0.455 CB 0.895 12 residues pruned to eliminate duplicates Z: 11 10.610 1.916 0.315 0.584 0.900 0.400 CA 1.364 11 residues pruned to eliminate duplicates Z: 13 8.435 1.816 0.565 0.463 0.750 0.500 CA 1.186 13 residues pruned to eliminate duplicates Z: 16 8.838 1.888 0.168 0.483 0.867 0.533 CB 1.215 16 residues pruned to eliminate duplicates Z: 25 10.047 1.840 0.253 0.489 0.792 0.375 CB 1.136 25 residues pruned to eliminate duplicates Z: 11 11.933 1.869 0.266 0.636 1.000 0.800 CA 1.404 11 residues pruned to eliminate duplicates 6 1.897 1.563 0.402 0.377 0.800 0.400 CB 0.552 ? Z: 8 4.082 1.656 0.327 0.313 0.857 0.429 CA 1.008 8 residues pruned to eliminate duplicates Z: 13 16.540 1.688 0.770 0.884 0.917 0.750 CA 1.260 13 residues pruned to eliminate duplicates Z: 28 15.026 1.694 0.633 0.522 0.852 0.519 CB 1.201 28 residues pruned to eliminate duplicates Z: 12 16.748 1.713 0.861 0.896 0.909 0.455 CA 1.248 12 residues pruned to eliminate duplicates Z: 15 15.446 1.641 0.708 0.806 0.929 0.643 CB 1.215 15 residues pruned to eliminate duplicates Z: 17 16.443 1.638 0.713 0.747 1.000 0.812 CB 1.175 17 residues pruned to eliminate duplicates Z: 17 14.435 1.620 0.843 0.720 0.875 0.625 CB 1.132 17 residues pruned to eliminate duplicates Z: 18 13.259 1.595 0.637 0.706 0.941 0.471 CB 1.085 18 residues pruned to eliminate duplicates Z: 12 12.428 1.627 0.905 0.705 0.818 0.455 CA 1.226 12 residues pruned to eliminate duplicates Z: 15 14.693 1.611 0.767 0.785 0.857 0.571 CB 1.252 15 residues pruned to eliminate duplicates Z: 19 11.180 1.598 0.498 0.660 0.944 0.611 CB 1.005 19 residues pruned to eliminate duplicates Z: 11 16.017 1.716 0.951 0.784 0.900 0.600 CB 1.310 11 residues pruned to eliminate duplicates Z: 28 16.749 1.696 0.715 0.577 0.852 0.481 CB 1.209 27 residues pruned to eliminate duplicates Z: 6 5.424 1.560 0.464 0.650 1.000 0.600 CB 0.924 6 residues pruned to eliminate duplicates Z: 20 15.117 1.730 0.629 0.733 0.947 0.737 CB 1.054 20 residues pruned to eliminate duplicates Z: 19 15.298 1.773 0.548 0.729 0.944 0.722 CB 1.132 19 residues pruned to eliminate duplicates Z: 17 14.945 1.800 0.643 0.744 0.875 0.688 CB 1.161 17 residues pruned to eliminate duplicates Z: 17 14.469 1.772 0.565 0.728 0.938 0.688 CB 1.133 17 residues pruned to eliminate duplicates Z: 15 9.914 1.773 0.617 0.484 0.857 0.500 CB 1.095 15 residues pruned to eliminate duplicates Z: 17 8.880 1.660 0.359 0.459 0.875 0.500 CB 1.173 17 residues pruned to eliminate duplicates Z: 17 13.997 1.802 0.528 0.765 0.938 0.750 CB 1.072 17 residues pruned to eliminate duplicates Z: 17 15.791 1.801 0.623 0.765 0.938 0.688 CB 1.139 17 residues pruned to eliminate duplicates Z: 15 10.448 1.793 0.534 0.572 0.786 0.571 CB 1.206 15 residues pruned to eliminate duplicates Z: 14 12.076 1.791 0.522 0.727 0.846 0.385 CB 1.183 14 residues pruned to eliminate duplicates Z: 16 12.181 1.690 0.467 0.758 0.933 0.533 CB 1.080 16 residues pruned to eliminate duplicates Z: 10 7.249 1.715 0.403 0.450 0.889 0.667 CB 1.189 11 residues pruned to eliminate duplicates Z: 7 2.517 1.429 0.746 0.276 0.833 0.500 CB 0.637 7 residues pruned to eliminate duplicates Z: 14 5.324 1.595 0.275 0.238 0.923 0.308 CB 1.066 14 residues pruned to eliminate duplicates Z: 11 6.847 1.648 0.409 0.512 0.800 0.700 CB 1.152 11 residues pruned to eliminate duplicates Z: 17 17.908 1.881 0.354 0.786 1.000 0.812 CA 1.367 17 residues pruned to eliminate duplicates Z: 26 15.744 1.851 0.400 0.517 0.840 0.680 CA 1.422 19 residues pruned to eliminate duplicates Z: 16 21.258 1.910 0.533 0.878 0.933 0.800 CB 1.457 16 residues pruned to eliminate duplicates Z: 24 20.215 1.952 0.490 0.612 0.913 0.783 CB 1.427 25 residues pruned to eliminate duplicates Z: 15 15.136 1.861 0.327 0.810 0.929 0.643 CB 1.346 15 residues pruned to eliminate duplicates Z: 25 18.491 1.920 0.499 0.568 0.917 0.750 CB 1.340 25 residues pruned to eliminate duplicates Z: 23 22.120 1.951 0.592 0.571 1.000 0.773 CB 1.418 22 residues pruned to eliminate duplicates Z: 16 27.577 1.967 0.910 0.874 0.933 0.733 CB 1.478 16 residues pruned to eliminate duplicates Z: 25 18.637 1.864 0.620 0.594 0.958 0.708 CB 1.202 25 residues pruned to eliminate duplicates Z: 23 21.325 1.950 0.660 0.594 0.909 0.727 CB 1.413 23 residues pruned to eliminate duplicates Z: 24 22.458 1.911 0.670 0.599 1.000 0.696 CB 1.335 23 residues pruned to eliminate duplicates Z: 15 24.202 1.982 0.878 0.922 0.929 0.714 CB 1.316 15 residues pruned to eliminate duplicates Z: 23 21.528 1.934 0.757 0.556 0.955 0.682 CB 1.340 23 residues pruned to eliminate duplicates Z: 24 20.517 1.906 0.572 0.568 0.957 0.522 CB 1.398 24 residues pruned to eliminate duplicates Z: 23 12.599 1.828 0.519 0.502 0.773 0.455 CB 1.249 23 residues pruned to eliminate duplicates Z: 20 12.373 1.849 0.477 0.410 0.842 0.526 CB 1.356 20 residues pruned to eliminate duplicates Z: 26 18.616 1.896 0.504 0.534 0.960 0.640 CB 1.315 26 residues pruned to eliminate duplicates Z: 13 16.804 1.934 0.572 0.485 1.000 0.750 CA 1.619 14 residues pruned to eliminate duplicates Z: 6 2.267 1.216 0.678 0.251 1.000 0.600 CA 0.662 Z: 6 3.683 1.729 0.274 0.206 0.800 0.000 CA 1.325 6 residues pruned to eliminate duplicates Z: 21 12.434 1.741 0.487 0.295 0.950 0.300 O 1.422 21 residues pruned to eliminate duplicates Z: 16 10.683 1.823 0.513 0.378 0.867 0.467 O 1.314 16 residues pruned to eliminate duplicates Z: 15 10.287 1.840 0.473 0.381 0.857 0.429 O 1.344 15 residues pruned to eliminate duplicates Z: 22 9.579 1.826 0.322 0.340 0.762 0.381 CB 1.353 22 residues pruned to eliminate duplicates Z: 19 10.173 1.795 0.376 0.397 0.833 0.389 O 1.299 19 residues pruned to eliminate duplicates Z: 22 9.907 1.750 0.535 0.316 0.714 0.429 O 1.381 22 residues pruned to eliminate duplicates Z: 19 10.673 1.677 0.388 0.424 0.944 0.444 O 1.238 19 residues pruned to eliminate duplicates Z: 36 26.881 1.969 0.649 0.707 0.857 0.771 CB 1.352 37 residues pruned to eliminate duplicates Z: 22 31.531 2.086 0.749 0.840 0.952 0.762 CA 1.478 22 residues pruned to eliminate duplicates Z: 25 39.895 2.136 0.913 0.891 0.958 0.750 CA 1.495 25 residues pruned to eliminate duplicates Z: 22 42.170 2.198 1.210 0.821 0.952 0.857 CA 1.506 22 residues pruned to eliminate duplicates Z: 22 36.145 2.193 1.030 0.852 0.952 0.810 CA 1.376 22 residues pruned to eliminate duplicates Z: 25 43.473 2.155 1.082 0.907 0.958 0.792 CA 1.466 25 residues pruned to eliminate duplicates Z: 26 38.471 2.109 1.083 0.849 0.960 0.760 CB 1.352 26 residues pruned to eliminate duplicates Z: 26 42.662 2.101 1.157 0.872 0.960 0.920 CB 1.429 26 residues pruned to eliminate duplicates Z: 26 41.110 2.130 1.112 0.872 0.920 0.680 CB 1.448 26 residues pruned to eliminate duplicates Z: 27 44.303 2.086 1.174 0.869 0.962 0.692 CB 1.456 27 residues pruned to eliminate duplicates Z: 22 39.503 2.226 1.213 0.817 0.905 0.762 CA 1.469 22 residues pruned to eliminate duplicates Z: 27 44.336 2.078 1.280 0.859 0.923 0.654 CB 1.462 27 residues pruned to eliminate duplicates Z: 24 39.211 2.139 1.207 0.811 0.913 0.783 CA 1.447 24 residues pruned to eliminate duplicates Z: 22 40.700 2.183 1.294 0.818 0.952 0.714 CB 1.413 22 residues pruned to eliminate duplicates Z: 25 48.329 2.142 1.325 0.904 0.958 0.583 CA 1.472 25 residues pruned to eliminate duplicates Z: 26 43.005 2.110 1.172 0.869 0.960 0.640 CB 1.428 26 residues pruned to eliminate duplicates Z: 23 42.657 2.139 1.376 0.825 0.955 0.409 CA 1.415 23 residues pruned to eliminate duplicates Z: 25 49.567 2.156 1.288 0.911 0.917 0.625 CB 1.587 25 residues pruned to eliminate duplicates Z: 26 42.607 2.114 1.156 0.877 0.960 0.640 CB 1.415 26 residues pruned to eliminate duplicates Z: 25 45.111 2.154 1.119 0.893 1.000 0.750 CB 1.448 25 residues pruned to eliminate duplicates Z: 26 44.634 2.108 1.219 0.868 1.000 0.400 CB 1.396 26 residues pruned to eliminate duplicates 8 1.631 1.257 0.445 0.082 0.714 0.286 N 0.817 ? Z: 19 20.269 1.997 0.644 0.745 1.000 0.944 CB 1.169 19 residues pruned to eliminate duplicates Z: 41 23.846 1.962 0.543 0.701 0.875 0.625 CB 1.185 45 residues pruned to eliminate duplicates Z: 17 27.360 2.020 0.902 0.929 1.000 0.750 CB 1.246 17 residues pruned to eliminate duplicates Z: 18 19.949 1.902 0.610 0.836 1.000 0.765 CB 1.183 18 residues pruned to eliminate duplicates Z: 54 27.005 1.901 0.612 0.608 0.887 0.585 CB 1.232 54 residues pruned to eliminate duplicates Z: 16 22.849 2.059 0.625 0.929 1.000 0.867 CB 1.234 16 residues pruned to eliminate duplicates Z: 17 27.279 2.080 1.098 0.916 1.000 0.562 CB 1.103 17 residues pruned to eliminate duplicates Z: 17 31.541 2.074 1.344 0.927 1.000 0.750 CB 1.137 17 residues pruned to eliminate duplicates Z: 20 21.500 1.861 1.042 0.780 1.000 0.632 CB 1.014 16 residues pruned to eliminate duplicates Z: 18 30.603 1.923 1.213 0.905 1.000 0.647 CB 1.241 22 residues pruned to eliminate duplicates Z: 6 13.267 1.862 1.279 0.840 1.000 0.600 CB 1.043 6 residues pruned to eliminate duplicates Z: 39 24.724 1.954 0.744 0.691 0.868 0.605 CB 1.138 39 residues pruned to eliminate duplicates Z: 17 27.402 2.097 1.102 0.803 1.000 0.562 CB 1.193 17 residues pruned to eliminate duplicates Z: 26 30.338 2.082 1.007 0.702 1.000 0.560 CB 1.208 28 residues pruned to eliminate duplicates Z: 21 24.240 1.991 1.018 0.829 0.950 0.550 CB 1.068 21 residues pruned to eliminate duplicates Z: 31 25.042 1.994 0.722 0.662 0.933 0.433 CB 1.227 31 residues pruned to eliminate duplicates Z: 58 30.851 1.928 0.700 0.583 0.947 0.491 CB 1.216 52 residues pruned to eliminate duplicates Z: 12 6.924 1.822 0.231 0.569 0.818 0.364 CB 1.064 12 residues pruned to eliminate duplicates Z: 44 27.052 1.949 0.763 0.673 0.884 0.605 CB 1.158 44 residues pruned to eliminate duplicates Z: 27 28.231 2.008 1.018 0.733 0.962 0.731 CB 1.153 27 residues pruned to eliminate duplicates Z: 28 26.373 2.049 0.882 0.704 0.926 0.704 CB 1.181 28 residues pruned to eliminate duplicates Z: 32 21.664 1.990 0.785 0.659 0.935 0.645 CB 1.010 32 residues pruned to eliminate duplicates Z: 27 27.672 2.056 0.840 0.711 1.000 0.577 CB 1.184 27 residues pruned to eliminate duplicates Z: 36 21.857 1.891 0.778 0.647 0.914 0.457 CB 1.048 36 residues pruned to eliminate duplicates Z: 33 23.863 1.986 0.772 0.657 0.906 0.656 CB 1.144 33 residues pruned to eliminate duplicates Z: 64 25.794 1.860 0.621 0.573 0.937 0.651 CB 1.073 64 residues pruned to eliminate duplicates Z: 35 24.931 1.978 0.689 0.650 0.941 0.559 CB 1.182 35 residues pruned to eliminate duplicates Z: 37 27.394 1.945 0.882 0.704 0.944 0.528 CB 1.097 37 residues pruned to eliminate duplicates Z: 34 24.151 2.001 0.748 0.681 0.879 0.424 CB 1.158 34 residues pruned to eliminate duplicates Z: 16 10.181 1.749 0.428 0.513 0.867 0.333 CB 1.198 16 residues pruned to eliminate duplicates Z: 41 26.807 1.933 0.764 0.694 0.925 0.525 CB 1.125 41 residues pruned to eliminate duplicates Z: 39 26.437 1.976 0.754 0.676 0.921 0.658 CB 1.142 39 residues pruned to eliminate duplicates Z: 16 15.442 1.845 0.737 0.702 0.867 0.733 CA 1.195 16 residues pruned to eliminate duplicates Z: 35 16.083 1.823 0.686 0.543 0.824 0.382 CB 1.046 35 residues pruned to eliminate duplicates Z: 29 12.163 1.703 0.448 0.474 0.857 0.393 CB 1.116 29 residues pruned to eliminate duplicates Z: 50 29.036 1.922 0.785 0.686 0.939 0.592 CB 1.086 50 residues pruned to eliminate duplicates Z: 56 29.372 1.912 0.729 0.609 0.909 0.491 CB 1.189 60 residues pruned to eliminate duplicates Z: 17 14.292 1.666 0.708 0.719 0.938 0.562 CA 1.098 17 residues pruned to eliminate duplicates Z: 23 15.948 1.741 0.804 0.623 0.864 0.364 CB 1.117 23 residues pruned to eliminate duplicates Z: 15 4.751 1.517 0.387 0.281 0.714 0.429 N 1.081 15 residues pruned to eliminate duplicates Z: 13 9.106 1.679 0.481 0.569 0.833 0.417 CB 1.187 14 residues pruned to eliminate duplicates Z: 6 2.173 1.278 0.753 0.120 0.800 0.200 CA 0.875 6 residues pruned to eliminate duplicates Z: 11 7.245 1.654 0.419 0.382 0.900 0.300 CB 1.229 11 residues pruned to eliminate duplicates Z: 10 5.743 1.756 0.502 0.336 0.778 0.333 CB 1.116 10 residues pruned to eliminate duplicates Z: 11 11.073 1.745 0.619 0.541 0.900 0.500 CB 1.323 13 residues pruned to eliminate duplicates 6 1.204 1.221 0.666 0.421 0.800 0.600 CA 0.359 ? Z: 7 4.494 1.519 0.580 0.450 0.833 0.167 CB 0.965 7 1.979 1.528 0.260 0.152 0.667 0.167 CA 0.967 ? Z: 13 14.300 2.037 0.485 0.786 0.833 0.500 CB 1.273 13 residues pruned to eliminate duplicates Z: 17 14.918 1.980 0.412 0.597 0.812 0.562 CB 1.497 17 residues pruned to eliminate duplicates Z: 20 17.041 1.942 0.531 0.550 0.842 0.579 CB 1.487 19 residues pruned to eliminate duplicates Z: 13 20.275 1.949 0.586 0.873 1.000 0.667 CB 1.378 15 residues pruned to eliminate duplicates Z: 13 21.605 1.982 0.763 0.862 0.917 0.750 CB 1.430 13 residues pruned to eliminate duplicates Z: 18 17.090 2.034 0.493 0.647 0.824 0.647 CB 1.445 18 residues pruned to eliminate duplicates Z: 14 19.143 1.910 0.674 0.858 0.923 0.846 CB 1.325 14 residues pruned to eliminate duplicates Z: 15 12.969 1.958 0.418 0.687 0.786 0.643 CB 1.338 15 residues pruned to eliminate duplicates Z: 13 14.832 2.076 0.429 0.815 0.833 0.667 CB 1.317 13 residues pruned to eliminate duplicates Z: 17 14.944 1.960 0.419 0.626 0.875 0.562 CB 1.363 17 residues pruned to eliminate duplicates Z: 14 13.514 1.898 0.351 0.772 0.923 0.692 CB 1.245 14 residues pruned to eliminate duplicates Z: 15 14.319 1.923 0.350 0.751 0.857 0.786 CB 1.375 15 residues pruned to eliminate duplicates Z: 19 13.146 1.876 0.547 0.603 0.778 0.556 CB 1.245 19 residues pruned to eliminate duplicates 681 residues left after pruning, divided into chains as follows: A: 16 B: 7 C: 9 D: 19 E: 28 F: 11 G: 27 H: 13 I: 14 J: 95 K: 36 L: 14 M: 33 N: 21 O: 12 P: 21 Q: 38 R: 8 S: 28 T: 9 U: 9 V: 41 W: 79 X: 14 Y: 79 CC for partial structure against native data = 33.67 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.468, Connect. = 0.693 for dens.mod. cycle 1 = 0.300, Contrast = 0.533, Connect. = 0.715 for dens.mod. cycle 2 = 0.300, Contrast = 0.637, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.647, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.656, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.660, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.663, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.664, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.665, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.665, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3124 peaks > 0.5 sigma used to seed fragment search Space for about 1084 unique residues taking solvent into account 770 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 25.140 2.100 0.738 0.927 1.000 0.667 CA 1.394 B: 13 17.861 2.184 0.302 0.936 1.000 0.917 CA 1.262 C: 15 22.946 1.901 0.840 0.857 1.000 0.643 CA 1.292 D: 15 21.585 1.968 0.575 0.901 1.000 0.714 CB 1.329 E: 15 13.031 1.700 0.535 0.858 0.929 0.714 CB 1.059 F: 15 7.022 1.745 0.326 0.429 0.714 0.500 CB 1.222 G: 24 36.269 2.110 0.708 0.933 1.000 0.826 CA 1.464 13 residues pruned to eliminate duplicates H: 18 31.055 2.037 0.846 0.942 1.000 0.882 CB 1.389 I: 15 31.856 2.086 0.683 0.930 1.000 0.714 CA 1.696 J: 15 19.211 1.891 0.781 0.871 0.857 0.643 CB 1.298 K: 23 44.842 2.166 1.044 0.948 1.000 0.909 CA 1.492 24 residues pruned to eliminate duplicates L: 14 14.659 1.713 0.336 0.879 0.846 0.615 CA 1.522 13 residues pruned to eliminate duplicates M: 14 23.558 2.058 0.898 0.906 0.769 0.462 CB 1.547 14 residues pruned to eliminate duplicates N: 19 30.824 1.945 1.012 0.863 0.944 0.389 CB 1.442 19 residues pruned to eliminate duplicates O: 14 24.675 2.117 0.381 0.918 1.000 0.923 CA 1.651 14 residues pruned to eliminate duplicates P: 14 20.413 1.910 0.791 0.856 0.923 0.615 CA 1.322 14 residues pruned to eliminate duplicates Q: 7 7.148 1.755 0.972 0.470 0.833 0.667 CB 1.043 R: 7 11.652 1.946 0.536 0.831 1.000 0.833 CA 1.195 6 residues pruned to eliminate duplicates S: 13 23.152 2.144 0.573 0.886 0.917 0.667 CB 1.560 13 residues pruned to eliminate duplicates T: 7 5.700 1.791 0.136 0.707 0.833 0.667 CB 1.137 U: 14 28.733 2.073 0.952 0.923 1.000 0.692 CA 1.383 14 residues pruned to eliminate duplicates V: 15 24.257 2.015 0.579 0.927 1.000 0.857 CA 1.428 W: 24 24.936 1.952 0.609 0.875 0.957 0.739 CA 1.259 24 residues pruned to eliminate duplicates X: 13 21.681 2.051 0.943 0.902 0.833 0.583 CB 1.345 13 residues pruned to eliminate duplicates Y: 17 33.164 2.091 0.869 0.921 1.000 0.875 CB 1.493 17 residues pruned to eliminate duplicates Z: 10 10.068 1.836 0.349 0.670 0.889 0.778 CB 1.302 Z: 18 29.717 2.028 0.613 0.947 1.000 0.941 CB 1.523 18 residues pruned to eliminate duplicates Z: 19 32.360 1.946 0.842 0.914 1.000 0.833 CA 1.506 19 residues pruned to eliminate duplicates Z: 15 20.569 2.035 0.359 0.919 1.000 0.929 CA 1.400 15 residues pruned to eliminate duplicates Z: 23 34.251 2.101 0.736 0.930 0.955 0.864 CA 1.468 23 residues pruned to eliminate duplicates Z: 17 35.557 2.081 1.019 0.923 1.000 0.812 CB 1.487 17 residues pruned to eliminate duplicates Z: 14 15.487 2.028 0.106 0.935 1.000 1.000 CA 1.334 Z: 14 35.299 2.081 1.089 0.926 1.000 0.538 CB 1.579 15 residues pruned to eliminate duplicates Z: 14 22.178 2.057 0.562 0.892 1.000 0.846 CA 1.375 14 residues pruned to eliminate duplicates Z: 14 24.992 2.076 0.535 0.875 1.000 0.692 CA 1.581 14 residues pruned to eliminate duplicates Z: 12 20.666 2.093 0.622 0.915 1.000 0.818 CA 1.298 12 residues pruned to eliminate duplicates Z: 14 17.190 1.969 0.363 0.853 0.923 0.846 CB 1.422 Z: 14 27.101 2.022 0.854 0.915 1.000 0.923 CA 1.417 14 residues pruned to eliminate duplicates Z: 22 39.004 2.190 0.965 0.924 0.905 0.714 CA 1.535 22 residues pruned to eliminate duplicates Z: 14 25.571 2.090 0.503 0.913 1.000 0.846 CA 1.597 14 residues pruned to eliminate duplicates Z: 17 20.854 1.729 0.640 0.915 1.000 0.750 CB 1.300 Z: 22 21.057 2.025 0.258 0.937 1.000 0.952 CA 1.254 22 residues pruned to eliminate duplicates Z: 13 19.632 2.048 0.523 0.881 0.917 0.750 CB 1.435 13 residues pruned to eliminate duplicates Z: 10 11.626 1.828 0.672 0.715 0.889 0.444 CB 1.174 10 residues pruned to eliminate duplicates Z: 15 18.761 1.878 0.235 0.917 1.000 0.929 CA 1.525 15 residues pruned to eliminate duplicates Z: 7 16.930 2.084 0.903 0.885 0.833 0.667 CB 1.510 Z: 17 22.221 1.851 0.412 0.940 1.000 0.938 CB 1.477 16 residues pruned to eliminate duplicates Z: 15 16.636 1.946 0.391 0.824 0.929 0.714 CB 1.335 15 residues pruned to eliminate duplicates Z: 21 9.275 1.763 0.406 0.289 0.800 0.550 CB 1.325 Z: 15 22.359 2.006 0.550 0.867 1.000 0.857 CA 1.406 14 residues pruned to eliminate duplicates Z: 14 25.332 2.164 0.510 0.918 1.000 0.923 CB 1.516 14 residues pruned to eliminate duplicates Z: 14 19.404 1.984 0.351 0.894 1.000 0.769 CA 1.440 13 residues pruned to eliminate duplicates Z: 14 16.026 1.953 0.556 0.780 0.846 0.769 CB 1.351 14 residues pruned to eliminate duplicates Z: 11 13.815 1.916 0.603 0.864 1.000 0.900 CB 1.042 Z: 16 22.969 1.908 0.700 0.918 0.933 0.733 CB 1.382 16 residues pruned to eliminate duplicates Z: 15 19.321 1.940 0.427 0.887 1.000 0.857 CA 1.344 15 residues pruned to eliminate duplicates Z: 18 20.398 2.023 0.527 0.863 1.000 0.765 CA 1.175 18 residues pruned to eliminate duplicates Z: 9 15.214 1.855 0.731 0.824 1.000 0.625 CB 1.265 8 residues pruned to eliminate duplicates Z: 14 26.216 2.067 0.570 0.923 1.000 1.000 CA 1.574 14 residues pruned to eliminate duplicates Z: 14 27.205 2.083 0.782 0.899 1.000 0.769 CA 1.453 15 residues pruned to eliminate duplicates Z: 17 16.937 1.825 0.457 0.809 0.938 0.625 CA 1.298 17 residues pruned to eliminate duplicates Z: 17 23.996 1.872 0.606 0.932 0.938 0.812 CB 1.486 17 residues pruned to eliminate duplicates Z: 13 19.419 1.888 0.612 0.876 1.000 0.750 CA 1.339 Z: 17 23.861 1.974 0.674 0.913 1.000 0.875 CB 1.278 Z: 8 9.090 1.844 0.292 0.639 1.000 0.857 CB 1.267 Z: 18 17.788 1.786 0.334 0.861 0.941 0.765 CB 1.413 17 residues pruned to eliminate duplicates Z: 18 28.830 2.013 0.699 0.918 1.000 0.882 CB 1.442 18 residues pruned to eliminate duplicates Z: 14 26.303 2.037 0.835 0.908 1.000 0.769 CA 1.386 14 residues pruned to eliminate duplicates Z: 16 25.858 1.898 0.628 0.928 1.000 0.933 CA 1.513 16 residues pruned to eliminate duplicates Z: 18 20.877 1.765 0.544 0.909 0.941 0.647 CA 1.401 19 residues pruned to eliminate duplicates Z: 6 6.462 1.918 0.335 0.708 0.800 0.400 CB 1.168 Z: 23 32.001 2.083 0.709 0.930 1.000 0.864 CA 1.341 23 residues pruned to eliminate duplicates Z: 14 27.158 2.128 0.764 0.922 1.000 0.769 CB 1.411 14 residues pruned to eliminate duplicates Z: 19 26.419 1.975 0.841 0.875 1.000 0.667 CB 1.245 17 residues pruned to eliminate duplicates Z: 9 7.328 1.600 0.511 0.484 0.875 0.500 CB 1.244 Z: 15 25.747 2.087 0.531 0.922 1.000 0.929 CA 1.514 15 residues pruned to eliminate duplicates Z: 6 3.491 1.691 0.512 0.369 0.800 0.600 N 0.878 6 residues pruned to eliminate duplicates Z: 16 12.204 1.958 0.428 0.533 0.733 0.733 CA 1.487 13 residues pruned to eliminate duplicates Z: 24 38.427 2.037 0.977 0.908 1.000 0.652 CA 1.413 24 residues pruned to eliminate duplicates Z: 14 15.831 1.889 0.363 0.785 0.923 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 12 16.988 1.610 0.867 0.913 1.000 0.636 CA 1.206 Z: 6 6.460 1.749 -0.072 0.816 1.000 0.800 N 1.352 7 residues pruned to eliminate duplicates Z: 14 7.938 1.615 0.501 0.380 0.846 0.462 CB 1.220 Z: 13 22.443 2.103 0.579 0.926 1.000 0.750 CA 1.368 13 residues pruned to eliminate duplicates Z: 14 21.003 1.959 0.510 0.804 1.000 0.462 CB 1.510 14 residues pruned to eliminate duplicates Z: 17 19.215 1.752 0.612 0.935 0.938 0.562 CB 1.264 17 residues pruned to eliminate duplicates Z: 17 20.045 1.935 0.435 0.900 1.000 0.750 CB 1.289 16 residues pruned to eliminate duplicates Z: 14 20.703 2.007 0.480 0.874 1.000 0.769 CB 1.407 15 residues pruned to eliminate duplicates Z: 23 26.366 2.041 0.415 0.939 1.000 0.955 CA 1.353 23 residues pruned to eliminate duplicates Z: 13 6.877 1.633 0.390 0.490 0.750 0.583 CA 1.177 13 residues pruned to eliminate duplicates Z: 15 12.931 1.693 0.512 0.884 1.000 1.000 CB 0.976 14 residues pruned to eliminate duplicates Z: 15 21.289 1.892 0.862 0.862 0.929 0.857 CA 1.277 18 residues pruned to eliminate duplicates Z: 11 13.718 1.988 0.578 0.775 0.900 0.700 CA 1.206 10 residues pruned to eliminate duplicates Z: 16 26.183 1.901 0.742 0.905 1.000 0.800 CB 1.453 16 residues pruned to eliminate duplicates Z: 15 19.196 1.831 0.596 0.878 1.000 0.857 CA 1.274 14 residues pruned to eliminate duplicates Z: 6 6.774 1.902 -0.135 0.873 1.000 1.000 CB 1.341 Z: 13 18.240 2.085 0.494 0.836 0.917 0.667 CA 1.380 14 residues pruned to eliminate duplicates Z: 17 29.769 2.035 0.677 0.913 1.000 0.938 CB 1.544 17 residues pruned to eliminate duplicates Z: 14 19.245 1.994 0.237 0.844 1.000 0.846 CB 1.610 14 residues pruned to eliminate duplicates Z: 8 18.122 2.000 0.807 0.885 1.000 0.857 CB 1.369 8 residues pruned to eliminate duplicates Z: 19 25.201 1.959 0.863 0.897 1.000 0.778 CA 1.166 19 residues pruned to eliminate duplicates Z: 16 24.448 1.921 0.637 0.919 1.000 0.667 CB 1.415 16 residues pruned to eliminate duplicates Z: 14 14.895 1.950 0.386 0.792 0.923 0.615 CA 1.282 14 residues pruned to eliminate duplicates Z: 12 10.236 1.711 0.259 0.805 1.000 0.818 CA 1.098 12 residues pruned to eliminate duplicates Z: 14 11.942 1.760 0.315 0.839 0.923 0.692 CB 1.158 14 residues pruned to eliminate duplicates Z: 16 14.653 1.756 0.390 0.842 1.000 0.800 CA 1.154 14 residues pruned to eliminate duplicates Z: 18 22.484 2.034 0.422 0.889 0.882 0.882 CB 1.538 18 residues pruned to eliminate duplicates Z: 9 9.081 1.535 0.513 0.875 0.875 0.625 CA 1.148 Z: 25 14.225 1.711 0.449 0.470 0.917 0.708 CB 1.316 9 residues pruned to eliminate duplicates Z: 16 26.963 1.915 0.795 0.924 1.000 0.600 CB 1.423 16 residues pruned to eliminate duplicates Z: 14 15.494 1.852 0.467 0.826 0.846 0.692 CB 1.410 14 residues pruned to eliminate duplicates Z: 10 9.845 1.931 0.206 0.839 1.000 0.889 CB 1.052 10 residues pruned to eliminate duplicates Z: 8 6.757 1.759 0.681 0.373 0.714 0.714 CB 1.385 8 residues pruned to eliminate duplicates Z: 28 27.887 2.067 0.776 0.644 0.963 0.593 CB 1.328 21 residues pruned to eliminate duplicates Z: 29 28.536 1.997 0.748 0.561 1.000 0.643 CB 1.456 15 residues pruned to eliminate duplicates Z: 15 26.752 1.974 0.773 0.927 0.929 0.714 CB 1.542 15 residues pruned to eliminate duplicates Z: 10 14.087 1.767 0.660 0.809 0.889 0.778 N 1.375 Z: 17 21.255 1.738 0.536 0.885 1.000 0.688 CA 1.437 Z: 22 19.411 1.976 0.322 0.580 1.000 0.857 CB 1.502 22 residues pruned to eliminate duplicates Z: 18 32.236 1.991 0.938 0.932 1.000 0.765 CB 1.415 18 residues pruned to eliminate duplicates Z: 13 21.173 2.143 0.680 0.885 0.833 0.583 CB 1.471 13 residues pruned to eliminate duplicates Z: 15 22.669 1.867 0.618 0.903 1.000 0.571 CB 1.430 15 residues pruned to eliminate duplicates Z: 15 19.662 1.750 0.762 0.862 0.929 0.857 CB 1.347 15 residues pruned to eliminate duplicates Z: 31 19.446 1.860 0.443 0.579 0.933 0.733 CA 1.313 15 residues pruned to eliminate duplicates Z: 8 9.669 1.842 0.225 0.656 1.000 1.000 CB 1.401 8 residues pruned to eliminate duplicates Z: 19 13.767 1.831 0.350 0.381 0.944 0.389 O 1.578 Z: 14 11.585 1.875 0.593 0.358 0.923 0.538 CB 1.359 Z: 25 42.893 2.041 1.143 0.884 1.000 0.583 CB 1.446 23 residues pruned to eliminate duplicates Z: 15 25.227 1.997 0.776 0.930 1.000 0.714 CA 1.329 15 residues pruned to eliminate duplicates Z: 23 29.702 2.076 0.452 0.925 1.000 0.909 CA 1.473 23 residues pruned to eliminate duplicates Z: 14 20.460 2.007 0.523 0.899 1.000 0.846 CA 1.327 14 residues pruned to eliminate duplicates Z: 13 21.545 1.984 0.670 0.874 1.000 0.833 CA 1.366 13 residues pruned to eliminate duplicates Z: 9 8.902 1.539 0.647 0.777 0.875 0.500 CA 1.112 9 residues pruned to eliminate duplicates Z: 6 3.749 1.911 -0.090 0.475 0.800 0.400 CB 1.236 Z: 8 10.128 1.732 0.429 0.663 1.000 0.857 N 1.330 Z: 8 11.146 1.736 0.880 0.589 1.000 0.857 CA 1.185 2 residues pruned to eliminate duplicates Z: 24 22.662 2.035 0.362 0.648 0.913 0.783 CA 1.626 16 residues pruned to eliminate duplicates Z: 17 20.667 1.897 0.706 0.774 0.938 0.688 CA 1.336 17 residues pruned to eliminate duplicates Z: 19 21.173 1.955 0.609 0.873 1.000 0.833 CA 1.156 19 residues pruned to eliminate duplicates Z: 13 7.830 1.795 0.587 0.390 0.917 0.500 CB 0.973 13 residues pruned to eliminate duplicates Z: 14 17.119 1.675 0.751 0.903 0.923 0.615 CA 1.250 14 residues pruned to eliminate duplicates Z: 15 24.151 2.039 0.547 0.923 1.000 1.000 CA 1.438 15 residues pruned to eliminate duplicates Z: 24 26.312 1.998 0.527 0.896 1.000 0.826 CA 1.288 24 residues pruned to eliminate duplicates Z: 18 18.104 1.753 0.439 0.873 0.941 0.765 CB 1.348 18 residues pruned to eliminate duplicates Z: 20 10.945 1.737 0.428 0.358 0.842 0.421 O 1.401 20 residues pruned to eliminate duplicates Z: 20 9.085 1.690 0.417 0.289 0.842 0.368 CB 1.310 19 residues pruned to eliminate duplicates Z: 18 27.215 1.982 0.870 0.909 1.000 0.706 CA 1.264 19 residues pruned to eliminate duplicates Z: 17 19.001 1.691 0.762 0.867 0.875 0.688 CA 1.333 16 residues pruned to eliminate duplicates Z: 14 23.331 2.099 0.368 0.924 1.000 1.000 CA 1.583 14 residues pruned to eliminate duplicates Z: 10 6.592 1.681 0.442 0.600 0.778 0.444 CB 1.059 8 residues pruned to eliminate duplicates Z: 20 19.675 1.936 0.652 0.861 0.947 0.684 CB 1.095 20 residues pruned to eliminate duplicates Z: 18 21.158 1.779 0.546 0.932 0.941 0.706 CB 1.385 18 residues pruned to eliminate duplicates Z: 15 22.338 1.940 0.764 0.876 1.000 0.857 CA 1.268 15 residues pruned to eliminate duplicates Z: 14 24.125 2.080 0.519 0.932 1.000 0.846 CA 1.479 14 residues pruned to eliminate duplicates Z: 14 27.147 2.012 0.607 0.895 1.000 0.846 CA 1.669 14 residues pruned to eliminate duplicates Z: 18 19.574 1.781 0.459 0.893 0.941 0.588 CB 1.394 18 residues pruned to eliminate duplicates Z: 15 21.031 1.965 0.552 0.812 0.929 0.643 CB 1.512 15 residues pruned to eliminate duplicates Z: 17 29.915 2.060 0.934 0.927 1.000 0.688 CB 1.315 17 residues pruned to eliminate duplicates Z: 11 8.474 1.787 0.302 0.458 0.800 0.600 O 1.504 11 residues pruned to eliminate duplicates Z: 9 9.272 1.709 0.466 0.589 1.000 0.750 CB 1.201 9 residues pruned to eliminate duplicates Z: 13 23.220 2.015 0.838 0.889 0.917 0.667 CA 1.422 13 residues pruned to eliminate duplicates Z: 9 14.846 2.039 0.521 0.888 1.000 0.875 CB 1.220 9 residues pruned to eliminate duplicates Z: 18 8.281 1.827 0.478 0.336 0.941 0.471 CB 0.945 16 residues pruned to eliminate duplicates Z: 17 25.261 2.170 0.479 0.890 1.000 0.875 CA 1.415 17 residues pruned to eliminate duplicates Z: 12 19.073 1.883 0.931 0.859 0.909 0.727 CB 1.280 12 residues pruned to eliminate duplicates Z: 19 25.246 1.979 0.811 0.898 1.000 0.667 CB 1.188 19 residues pruned to eliminate duplicates Z: 14 22.219 1.975 0.655 0.859 0.923 0.846 CB 1.502 14 residues pruned to eliminate duplicates Z: 11 10.313 1.394 0.613 0.868 1.000 0.900 CA 1.061 11 residues pruned to eliminate duplicates Z: 13 21.635 2.107 0.482 0.924 1.000 0.917 CA 1.405 13 residues pruned to eliminate duplicates Z: 20 21.162 1.985 0.745 0.836 0.947 0.632 CB 1.107 20 residues pruned to eliminate duplicates Z: 7 5.808 1.534 0.270 0.608 0.833 0.500 CA 1.317 Z: 21 41.830 2.161 1.264 0.903 0.950 0.600 CA 1.434 21 residues pruned to eliminate duplicates Z: 8 10.169 1.794 0.983 0.667 0.857 0.571 CB 1.080 8 residues pruned to eliminate duplicates Z: 21 17.747 2.000 0.614 0.512 0.900 0.650 CB 1.349 20 residues pruned to eliminate duplicates Z: 17 17.144 1.679 0.836 0.837 0.812 0.625 CB 1.280 16 residues pruned to eliminate duplicates Z: 6 8.177 1.825 0.199 0.845 1.000 1.000 CA 1.242 Z: 16 20.110 1.700 0.678 0.876 0.933 0.667 CA 1.417 19 residues pruned to eliminate duplicates Z: 15 19.248 1.874 0.371 0.928 1.000 0.929 CA 1.402 15 residues pruned to eliminate duplicates Z: 38 21.198 1.902 0.517 0.514 0.919 0.568 CB 1.296 31 residues pruned to eliminate duplicates Z: 15 21.454 1.890 0.622 0.883 1.000 0.714 CB 1.352 15 residues pruned to eliminate duplicates Z: 6 6.174 1.317 0.557 0.717 1.000 0.800 O 1.106 Z: 18 26.231 1.988 0.848 0.920 0.941 0.824 CA 1.296 18 residues pruned to eliminate duplicates Z: 10 12.525 1.814 0.666 0.489 1.000 0.778 O 1.397 10 residues pruned to eliminate duplicates Z: 11 11.092 1.805 0.291 0.526 1.000 0.800 CB 1.467 10 residues pruned to eliminate duplicates Z: 14 12.165 1.821 0.554 0.427 1.000 0.615 CB 1.286 14 residues pruned to eliminate duplicates Z: 9 7.666 1.597 0.764 0.608 0.875 0.500 CB 0.992 Z: 16 15.680 1.792 0.648 0.434 1.000 0.400 CB 1.467 Z: 7 8.285 1.653 0.416 0.858 1.000 0.667 CA 1.064 6 residues pruned to eliminate duplicates Z: 6 5.762 1.791 0.359 0.405 0.800 0.600 N 1.463 Z: 28 21.162 1.955 0.546 0.619 1.000 0.444 CB 1.204 13 residues pruned to eliminate duplicates Z: 6 6.994 1.493 0.464 0.786 1.000 1.000 CA 1.113 6 residues pruned to eliminate duplicates Z: 6 5.576 1.518 0.298 0.732 0.800 0.800 CB 1.285 6 residues pruned to eliminate duplicates Z: 9 10.362 1.668 0.763 0.794 0.875 0.625 CB 1.100 Z: 16 16.033 1.830 0.791 0.902 0.933 0.800 CB 0.966 16 residues pruned to eliminate duplicates Z: 9 11.154 1.706 0.536 0.741 0.875 0.750 CB 1.386 9 residues pruned to eliminate duplicates Z: 14 30.126 2.066 0.954 0.920 0.923 0.538 CA 1.579 14 residues pruned to eliminate duplicates Z: 15 9.486 1.763 0.048 0.781 0.929 0.643 CB 1.153 14 residues pruned to eliminate duplicates Z: 14 21.465 1.935 0.548 0.897 1.000 0.692 CB 1.423 14 residues pruned to eliminate duplicates Z: 15 9.383 1.697 0.270 0.814 0.857 0.571 CB 1.033 15 residues pruned to eliminate duplicates Z: 6 4.405 1.807 0.508 0.654 0.800 0.800 CB 0.783 6 residues pruned to eliminate duplicates Z: 6 11.582 2.055 0.530 0.714 1.000 0.600 CB 1.357 6 residues pruned to eliminate duplicates Z: 17 21.745 1.840 0.577 0.910 0.875 0.750 CA 1.519 18 residues pruned to eliminate duplicates Z: 16 19.556 1.837 0.619 0.812 0.933 0.667 CB 1.387 15 residues pruned to eliminate duplicates Z: 13 23.285 2.093 0.545 0.903 1.000 0.667 CA 1.481 13 residues pruned to eliminate duplicates Z: 25 14.468 1.859 0.360 0.502 0.958 0.667 CB 1.216 15 residues pruned to eliminate duplicates Z: 18 22.762 1.994 0.948 0.872 0.941 0.353 CB 1.100 18 residues pruned to eliminate duplicates Z: 24 30.841 2.051 0.481 0.917 1.000 0.870 CA 1.495 24 residues pruned to eliminate duplicates Z: 20 17.777 1.867 0.313 0.715 0.895 0.789 CB 1.531 20 residues pruned to eliminate duplicates Z: 18 21.050 1.650 0.796 0.897 1.000 0.706 CA 1.233 15 residues pruned to eliminate duplicates Z: 17 16.253 1.865 0.468 0.708 0.875 0.688 CA 1.405 17 residues pruned to eliminate duplicates Z: 7 4.223 1.573 0.321 0.363 0.667 0.500 CA 1.441 Z: 15 20.635 1.932 0.689 0.847 0.929 0.714 CB 1.351 15 residues pruned to eliminate duplicates Z: 21 7.438 1.657 0.423 0.349 0.800 0.500 CB 1.039 21 residues pruned to eliminate duplicates Z: 6 2.644 1.794 -0.020 0.363 0.600 0.600 CB 1.298 Z: 17 7.478 1.798 0.162 0.410 0.938 0.500 CB 1.049 5 residues pruned to eliminate duplicates Z: 9 15.867 1.882 0.662 0.725 1.000 1.000 CA 1.464 9 residues pruned to eliminate duplicates Z: 8 7.738 1.851 0.712 0.538 0.857 0.571 CA 1.037 8 residues pruned to eliminate duplicates Z: 7 2.209 1.651 0.108 0.274 0.667 0.500 CB 0.956 Z: 18 9.899 1.722 0.293 0.502 0.941 0.647 CB 1.143 18 residues pruned to eliminate duplicates Z: 11 15.357 1.652 0.819 0.889 0.900 0.700 CA 1.292 10 residues pruned to eliminate duplicates Z: 14 20.290 2.014 0.508 0.875 0.923 0.615 CB 1.460 14 residues pruned to eliminate duplicates Z: 24 42.370 2.108 1.013 0.940 1.000 0.826 CA 1.447 24 residues pruned to eliminate duplicates Z: 19 25.462 1.945 1.014 0.929 0.944 0.278 CB 1.135 19 residues pruned to eliminate duplicates Z: 18 20.213 1.721 0.647 0.863 0.882 0.471 CA 1.438 18 residues pruned to eliminate duplicates Z: 15 21.108 1.884 0.779 0.809 1.000 0.643 CA 1.286 16 residues pruned to eliminate duplicates Z: 12 7.841 1.488 0.715 0.846 0.909 0.727 CB 0.758 Z: 17 31.517 2.105 0.690 0.911 1.000 0.875 CA 1.569 17 residues pruned to eliminate duplicates Z: 8 11.904 1.801 0.554 0.661 1.000 0.714 CA 1.385 8 residues pruned to eliminate duplicates Z: 6 3.659 1.627 0.717 0.437 0.800 0.600 CB 0.782 3 residues pruned to eliminate duplicates Z: 6 6.931 1.830 0.203 0.848 1.000 0.800 CA 1.044 7 residues pruned to eliminate duplicates Z: 17 20.451 1.955 0.627 0.912 1.000 1.000 CA 1.138 17 residues pruned to eliminate duplicates Z: 17 19.271 1.717 0.826 0.914 0.938 0.875 CA 1.159 17 residues pruned to eliminate duplicates Z: 16 25.237 1.895 0.773 0.888 1.000 0.400 CB 1.398 16 residues pruned to eliminate duplicates Z: 7 6.307 1.712 0.562 0.699 0.667 0.333 CB 1.204 7 residues pruned to eliminate duplicates Z: 22 39.475 2.121 0.966 0.914 1.000 0.619 CB 1.461 22 residues pruned to eliminate duplicates Z: 17 15.939 1.700 0.471 0.848 0.938 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 11 16.350 1.886 0.435 0.925 1.000 0.900 CB 1.341 11 residues pruned to eliminate duplicates Z: 10 9.939 1.522 0.743 0.821 1.000 0.556 CB 0.945 9 residues pruned to eliminate duplicates Z: 15 23.373 1.897 0.897 0.905 0.929 0.714 CB 1.330 15 residues pruned to eliminate duplicates Z: 6 4.044 1.971 -0.148 0.591 0.800 0.800 CB 1.235 6 residues pruned to eliminate duplicates Z: 15 19.969 1.977 0.380 0.876 1.000 0.714 CA 1.422 15 residues pruned to eliminate duplicates Z: 6 5.684 1.629 0.485 0.818 0.800 0.400 CB 0.997 6 residues pruned to eliminate duplicates Z: 14 24.784 1.955 0.752 0.893 1.000 0.769 CB 1.440 13 residues pruned to eliminate duplicates Z: 7 7.572 1.757 0.253 0.781 0.833 0.833 CB 1.316 7 residues pruned to eliminate duplicates Z: 14 23.885 1.920 1.033 0.882 0.923 0.846 CB 1.330 14 residues pruned to eliminate duplicates Z: 9 2.788 1.170 0.426 0.362 0.750 0.250 C 0.914 Z: 12 17.179 1.819 0.633 0.825 0.909 0.818 N 1.448 16 residues pruned to eliminate duplicates Z: 21 10.103 1.890 0.488 0.254 0.800 0.550 CB 1.332 21 residues pruned to eliminate duplicates Z: 14 28.884 2.087 0.611 0.931 1.000 0.846 CA 1.664 14 residues pruned to eliminate duplicates Z: 18 18.017 1.798 0.387 0.751 1.000 0.824 CB 1.401 18 residues pruned to eliminate duplicates Z: 13 20.184 2.001 0.533 0.874 1.000 0.750 CB 1.384 13 residues pruned to eliminate duplicates Z: 12 10.468 1.661 0.431 0.812 0.909 0.636 CB 1.113 5 residues pruned to eliminate duplicates Z: 9 8.615 1.764 0.557 0.594 0.875 0.625 CB 1.159 12 residues pruned to eliminate duplicates Z: 11 7.662 1.952 0.220 0.371 0.800 0.600 CB 1.460 11 residues pruned to eliminate duplicates Z: 7 4.058 1.662 0.059 0.468 0.833 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 15 13.906 1.761 0.536 0.919 1.000 0.643 CB 0.968 15 residues pruned to eliminate duplicates Z: 8 9.632 1.825 0.370 0.631 1.000 0.714 CB 1.288 8 residues pruned to eliminate duplicates Z: 7 9.594 1.539 0.704 0.706 1.000 0.833 CA 1.239 7 residues pruned to eliminate duplicates Z: 20 22.349 1.914 0.722 0.899 1.000 0.895 CB 1.112 20 residues pruned to eliminate duplicates Z: 14 8.237 1.902 0.239 0.324 0.923 0.692 CB 1.275 14 residues pruned to eliminate duplicates Z: 10 5.025 1.495 0.443 0.367 0.778 0.444 O 1.152 Z: 17 23.186 1.835 0.646 0.944 0.938 0.750 CB 1.418 17 residues pruned to eliminate duplicates Z: 15 26.536 1.935 0.944 0.910 1.000 0.714 CA 1.337 15 residues pruned to eliminate duplicates Z: 16 18.254 1.951 0.466 0.899 0.933 0.800 CA 1.262 16 residues pruned to eliminate duplicates Z: 21 23.381 1.875 0.677 0.846 1.000 0.700 CA 1.235 21 residues pruned to eliminate duplicates Z: 11 9.410 1.893 0.324 0.719 0.900 0.700 CB 1.082 11 residues pruned to eliminate duplicates Z: 9 3.473 1.706 0.201 0.187 0.875 0.500 N 0.998 Z: 14 18.727 1.869 0.711 0.746 0.923 0.846 CA 1.412 14 residues pruned to eliminate duplicates Z: 20 25.108 2.002 0.747 0.730 0.947 0.737 CB 1.414 20 residues pruned to eliminate duplicates Z: 6 3.845 1.313 0.353 0.753 0.800 0.800 CB 0.965 4 residues pruned to eliminate duplicates Z: 16 11.784 1.707 0.240 0.884 1.000 0.867 CA 1.039 16 residues pruned to eliminate duplicates Z: 9 7.303 1.722 0.893 0.284 0.875 0.500 N 1.154 7 residues pruned to eliminate duplicates Z: 37 20.629 1.919 0.463 0.489 0.917 0.611 CB 1.351 37 residues pruned to eliminate duplicates Z: 10 5.350 1.593 0.054 0.390 1.000 0.556 CB 1.194 Z: 14 14.306 1.868 0.819 0.804 0.769 0.231 CB 1.164 14 residues pruned to eliminate duplicates Z: 13 14.723 1.878 0.745 0.768 0.917 0.500 CB 1.116 11 residues pruned to eliminate duplicates Z: 14 25.179 1.983 0.728 0.886 1.000 0.538 CA 1.470 14 residues pruned to eliminate duplicates Z: 7 7.443 1.841 0.602 0.608 0.833 0.500 CB 1.116 7 residues pruned to eliminate duplicates Z: 9 2.578 1.522 -0.033 0.356 0.875 0.500 CB 0.827 9 residues pruned to eliminate duplicates Z: 17 9.232 1.764 0.410 0.436 0.875 0.375 CB 1.133 17 residues pruned to eliminate duplicates Z: 14 15.488 1.974 0.429 0.836 0.846 0.538 CB 1.346 14 residues pruned to eliminate duplicates Z: 12 18.039 1.689 0.778 0.892 1.000 0.909 CA 1.301 12 residues pruned to eliminate duplicates Z: 13 19.076 2.077 0.623 0.849 0.833 0.667 CA 1.453 13 residues pruned to eliminate duplicates Z: 18 25.266 2.024 0.731 0.938 1.000 1.000 CB 1.216 17 residues pruned to eliminate duplicates Z: 13 18.359 1.903 0.785 0.877 0.917 0.917 CA 1.237 13 residues pruned to eliminate duplicates Z: 7 10.891 1.942 0.809 0.806 1.000 0.500 CB 0.969 7 residues pruned to eliminate duplicates Z: 9 6.417 1.661 0.140 0.540 0.875 0.375 O 1.317 Z: 15 6.964 1.534 0.601 0.322 0.857 0.500 CB 1.076 15 residues pruned to eliminate duplicates Z: 15 9.392 1.911 -0.006 0.419 0.929 0.643 O 1.549 15 residues pruned to eliminate duplicates Z: 30 17.014 1.807 0.561 0.531 0.931 0.552 CB 1.167 31 residues pruned to eliminate duplicates Z: 19 28.766 2.002 0.644 0.905 0.944 0.833 CB 1.552 19 residues pruned to eliminate duplicates Z: 6 2.963 1.658 0.254 0.450 1.000 0.800 CB 0.671 Z: 7 2.781 1.301 0.009 0.516 0.833 0.333 N 1.021 Z: 11 8.274 1.772 0.186 0.455 1.000 0.600 CA 1.304 10 residues pruned to eliminate duplicates Z: 13 23.319 2.086 0.676 0.897 0.917 0.750 CA 1.504 13 residues pruned to eliminate duplicates Z: 11 11.843 1.911 0.299 0.884 1.000 1.000 CB 1.090 11 residues pruned to eliminate duplicates Z: 14 16.038 1.727 0.691 0.802 0.923 0.615 CA 1.267 14 residues pruned to eliminate duplicates Z: 11 8.198 1.728 0.324 0.456 1.000 0.600 CA 1.186 11 residues pruned to eliminate duplicates Z: 6 5.790 1.697 0.407 0.486 1.000 0.800 N 1.100 Z: 9 13.119 1.890 0.397 0.892 1.000 1.000 CA 1.262 9 residues pruned to eliminate duplicates Z: 10 9.278 1.834 0.244 0.564 0.889 0.667 CB 1.433 10 residues pruned to eliminate duplicates Z: 13 11.965 1.676 0.239 0.893 1.000 0.750 CA 1.194 13 residues pruned to eliminate duplicates Z: 25 11.074 1.796 0.445 0.416 0.792 0.333 CB 1.201 29 residues pruned to eliminate duplicates Z: 22 12.781 1.845 0.321 0.359 0.905 0.429 CA 1.471 26 residues pruned to eliminate duplicates Z: 13 10.753 1.824 0.767 0.507 0.750 0.333 CB 1.275 13 residues pruned to eliminate duplicates Z: 14 5.548 1.691 0.181 0.474 0.692 0.462 CA 1.143 14 residues pruned to eliminate duplicates Z: 26 19.753 2.056 0.245 0.585 0.960 0.800 CB 1.482 26 residues pruned to eliminate duplicates Z: 15 7.869 1.649 0.589 0.376 0.786 0.500 CB 1.167 Z: 10 5.943 1.558 0.341 0.430 0.889 0.556 O 1.147 9 residues pruned to eliminate duplicates Z: 25 21.879 1.995 0.551 0.623 0.917 0.583 CB 1.402 25 residues pruned to eliminate duplicates Z: 10 9.435 1.463 0.464 0.831 0.889 0.444 CA 1.241 10 residues pruned to eliminate duplicates Z: 20 20.864 1.913 0.291 0.937 1.000 1.000 CB 1.348 20 residues pruned to eliminate duplicates Z: 14 27.548 2.068 0.794 0.938 1.000 0.923 CA 1.432 14 residues pruned to eliminate duplicates Z: 6 11.475 1.762 0.717 0.755 1.000 0.800 CB 1.352 6 residues pruned to eliminate duplicates Z: 16 15.141 1.722 0.491 0.871 1.000 0.867 CA 1.111 16 residues pruned to eliminate duplicates Z: 10 6.136 1.631 0.686 0.715 0.556 0.556 CB 1.102 10 residues pruned to eliminate duplicates Z: 11 12.081 1.822 0.370 0.624 1.000 0.500 CB 1.361 11 residues pruned to eliminate duplicates Z: 13 20.527 1.955 0.570 0.901 1.000 0.750 CA 1.378 13 residues pruned to eliminate duplicates Z: 16 18.503 1.829 0.426 0.902 0.933 0.800 CA 1.399 16 residues pruned to eliminate duplicates Z: 11 9.292 1.758 0.385 0.704 0.800 0.700 CB 1.253 17 residues pruned to eliminate duplicates Z: 9 8.819 1.819 0.345 0.826 0.875 0.500 CB 1.098 9 residues pruned to eliminate duplicates Z: 8 7.022 1.593 0.055 0.878 1.000 1.000 CA 1.146 8 residues pruned to eliminate duplicates Z: 6 2.973 1.580 0.023 0.488 0.800 0.800 N 1.041 Z: 15 21.306 1.838 0.747 0.909 0.929 0.571 CB 1.356 15 residues pruned to eliminate duplicates Z: 12 16.309 1.654 0.894 0.834 0.909 0.545 CA 1.294 13 residues pruned to eliminate duplicates Z: 10 8.351 1.774 0.333 0.697 1.000 0.889 CB 0.984 10 residues pruned to eliminate duplicates Z: 23 10.088 1.846 0.482 0.448 0.773 0.364 CB 1.074 23 residues pruned to eliminate duplicates Z: 8 4.041 1.665 0.213 0.484 0.714 0.571 N 1.076 Z: 17 7.503 1.820 0.290 0.312 0.812 0.562 CB 1.211 17 residues pruned to eliminate duplicates Z: 10 6.506 1.652 0.701 0.251 0.778 0.333 N 1.322 10 residues pruned to eliminate duplicates Z: 7 2.841 1.381 0.497 0.399 0.833 0.500 N 0.748 Z: 19 7.932 1.692 0.424 0.357 0.778 0.611 CB 1.163 19 residues pruned to eliminate duplicates Z: 14 5.884 1.574 0.351 0.507 0.846 0.615 CB 0.901 14 residues pruned to eliminate duplicates Z: 23 23.658 1.964 0.369 0.752 0.955 0.909 CB 1.570 23 residues pruned to eliminate duplicates Z: 6 5.144 1.640 0.574 0.319 0.800 0.400 O 1.361 Z: 14 23.274 1.916 0.887 0.883 1.000 0.615 CA 1.291 14 residues pruned to eliminate duplicates Z: 8 7.231 1.537 0.647 0.511 1.000 0.571 CB 1.068 Z: 22 22.384 1.857 0.656 0.724 1.000 0.714 CB 1.297 22 residues pruned to eliminate duplicates Z: 13 9.615 1.790 0.497 0.518 0.917 0.500 CB 1.110 13 residues pruned to eliminate duplicates Z: 12 6.325 1.823 -0.057 0.602 0.818 0.727 CB 1.230 12 residues pruned to eliminate duplicates Z: 9 3.833 1.767 -0.182 0.562 0.875 0.625 CB 1.009 9 residues pruned to eliminate duplicates Z: 44 16.893 1.839 0.583 0.510 0.767 0.395 CB 1.143 44 residues pruned to eliminate duplicates Z: 14 6.700 1.686 0.188 0.301 0.846 0.462 O 1.369 14 residues pruned to eliminate duplicates Z: 10 15.316 1.709 0.980 0.856 0.778 0.556 CA 1.431 10 residues pruned to eliminate duplicates Z: 6 3.496 1.528 0.079 0.521 1.000 0.600 N 0.929 Z: 8 8.000 1.709 0.574 0.606 0.857 0.143 N 1.185 Z: 7 2.666 1.518 0.197 0.244 0.667 0.500 CB 1.207 Z: 9 9.816 1.526 0.844 0.748 0.875 0.625 CA 1.129 8 residues pruned to eliminate duplicates Z: 17 17.472 1.725 0.589 0.861 0.875 0.812 CB 1.338 17 residues pruned to eliminate duplicates Z: 9 2.591 1.425 0.376 0.282 0.750 0.625 CB 0.796 Z: 18 8.496 1.747 0.058 0.358 0.941 0.471 CB 1.381 17 residues pruned to eliminate duplicates Z: 6 6.077 1.507 0.307 0.831 1.000 1.000 CB 1.037 6 residues pruned to eliminate duplicates Z: 12 7.824 1.669 0.211 0.483 1.000 0.727 CB 1.187 12 residues pruned to eliminate duplicates Z: 9 2.638 1.339 0.690 0.313 0.750 0.250 CB 0.676 Z: 19 26.054 1.855 0.742 0.897 0.944 0.611 CB 1.440 19 residues pruned to eliminate duplicates Z: 36 25.358 1.968 0.760 0.656 0.914 0.514 CB 1.171 30 residues pruned to eliminate duplicates Z: 14 6.240 1.597 0.533 0.301 0.769 0.538 CB 1.147 11 residues pruned to eliminate duplicates Z: 7 9.138 1.898 1.041 0.677 0.833 0.833 CA 0.982 7 residues pruned to eliminate duplicates Z: 12 15.603 1.743 0.411 0.892 1.000 0.636 CA 1.374 12 residues pruned to eliminate duplicates Z: 7 5.504 1.606 0.435 0.570 0.833 0.667 CB 1.093 Z: 25 41.086 1.970 1.241 0.930 0.958 0.583 CA 1.386 25 residues pruned to eliminate duplicates Z: 12 4.003 1.515 0.308 0.229 0.727 0.455 CA 1.149 Z: 6 3.401 1.705 0.216 0.664 0.800 0.600 CB 0.788 6 residues pruned to eliminate duplicates Z: 6 3.005 1.374 0.493 0.354 0.800 0.400 N 0.958 Z: 13 26.352 2.075 0.808 0.892 1.000 0.667 CA 1.457 13 residues pruned to eliminate duplicates Z: 9 3.323 1.444 0.359 0.500 0.875 0.375 CB 0.684 Z: 15 17.583 1.727 0.450 0.908 0.929 0.857 N 1.436 15 residues pruned to eliminate duplicates Z: 6 2.173 1.510 0.017 0.279 0.800 0.200 CB 1.015 8 1.009 1.241 0.208 0.222 0.714 0.286 N 0.493 ? Z: 12 13.111 1.653 0.647 0.830 0.909 0.455 CA 1.201 12 residues pruned to eliminate duplicates Z: 13 13.559 1.946 0.461 0.490 0.917 0.500 CA 1.518 23 residues pruned to eliminate duplicates Z: 10 20.359 1.697 1.098 0.928 1.000 0.556 CA 1.334 11 residues pruned to eliminate duplicates Z: 10 2.594 1.369 0.185 0.254 0.667 0.444 N 1.060 Z: 9 6.477 1.856 0.638 0.602 0.625 0.500 CB 1.093 9 residues pruned to eliminate duplicates Z: 7 2.221 1.551 0.266 0.247 0.833 0.667 CB 0.742 Z: 6 3.241 1.483 0.183 0.609 0.800 0.600 O 0.931 Z: 12 22.370 2.058 0.696 0.874 0.909 0.455 CB 1.547 12 residues pruned to eliminate duplicates Z: 12 8.158 1.692 0.547 0.406 0.818 0.545 CA 1.267 12 residues pruned to eliminate duplicates Z: 11 4.668 1.618 0.408 0.214 0.900 0.700 CB 1.009 11 residues pruned to eliminate duplicates Z: 14 15.148 2.040 0.523 0.488 0.846 0.385 CB 1.616 18 residues pruned to eliminate duplicates Z: 12 23.974 2.047 0.833 0.900 0.909 0.545 CB 1.513 16 residues pruned to eliminate duplicates Z: 7 2.062 1.293 0.416 0.364 0.833 0.333 N 0.639 Z: 15 8.538 1.808 0.380 0.483 0.857 0.571 CB 1.086 6 residues pruned to eliminate duplicates Z: 14 16.296 1.848 0.652 0.912 1.000 1.000 CA 1.049 14 residues pruned to eliminate duplicates Z: 14 14.939 1.624 0.543 0.850 1.000 0.769 CA 1.225 12 residues pruned to eliminate duplicates Z: 14 18.232 1.977 0.352 0.911 1.000 1.000 CB 1.341 14 residues pruned to eliminate duplicates Z: 77 32.595 1.881 0.627 0.567 0.895 0.500 CB 1.280 81 residues pruned to eliminate duplicates Z: 12 7.365 1.455 0.776 0.389 0.909 0.636 N 1.064 Z: 14 6.148 1.495 0.657 0.371 0.769 0.462 N 1.027 11 residues pruned to eliminate duplicates Z: 14 6.660 1.718 0.629 0.344 0.846 0.462 CB 0.925 14 residues pruned to eliminate duplicates Z: 12 7.146 1.601 0.412 0.416 0.818 0.545 CB 1.272 11 residues pruned to eliminate duplicates Z: 6 5.608 1.802 0.447 0.369 0.800 0.400 O 1.383 6 residues pruned to eliminate duplicates Z: 8 3.338 1.185 0.213 0.473 1.000 0.429 O 0.902 6 residues pruned to eliminate duplicates Z: 20 32.780 2.054 1.278 0.790 0.895 0.737 CB 1.393 20 residues pruned to eliminate duplicates Z: 28 25.355 1.895 0.768 0.604 0.963 0.778 CA 1.369 28 residues pruned to eliminate duplicates Z: 11 12.116 1.867 0.678 0.824 0.900 0.700 CB 1.026 11 residues pruned to eliminate duplicates Z: 12 17.558 1.821 0.854 0.889 0.909 0.636 CB 1.242 13 residues pruned to eliminate duplicates Z: 8 2.383 1.423 0.064 0.199 0.857 0.429 CB 0.993 Z: 33 33.273 1.950 0.818 0.661 0.969 0.562 CB 1.475 32 residues pruned to eliminate duplicates Z: 11 7.710 1.738 0.705 0.494 0.900 0.600 CB 0.920 9 residues pruned to eliminate duplicates Z: 28 17.018 1.857 0.422 0.480 0.963 0.519 CB 1.313 28 residues pruned to eliminate duplicates Z: 6 6.393 1.498 0.367 0.828 1.000 1.000 CB 1.051 6 residues pruned to eliminate duplicates Z: 16 12.358 1.880 0.416 0.396 0.933 0.467 O 1.433 16 residues pruned to eliminate duplicates Z: 11 12.422 1.767 0.518 0.835 0.900 0.500 CB 1.218 11 residues pruned to eliminate duplicates Z: 18 22.388 1.972 0.784 0.869 1.000 0.647 CA 1.127 18 residues pruned to eliminate duplicates Z: 16 6.290 1.741 0.227 0.338 0.667 0.467 CB 1.360 16 residues pruned to eliminate duplicates Z: 15 9.822 1.878 0.490 0.343 0.857 0.643 CB 1.299 21 residues pruned to eliminate duplicates Z: 16 20.315 1.821 0.504 0.891 1.000 0.733 CB 1.377 16 residues pruned to eliminate duplicates Z: 15 6.101 1.741 0.442 0.226 0.714 0.357 CB 1.252 15 residues pruned to eliminate duplicates Z: 17 10.514 1.899 0.249 0.329 0.938 0.688 CB 1.426 15 residues pruned to eliminate duplicates Z: 7 4.186 1.594 0.323 0.479 0.833 0.500 CB 0.994 6 1.500 1.424 -0.046 0.530 0.600 0.400 CB 0.799 ? Z: 10 14.873 1.948 0.391 0.645 1.000 0.667 CB 1.599 11 residues pruned to eliminate duplicates Z: 21 16.334 1.739 0.461 0.507 1.000 0.500 CA 1.427 21 residues pruned to eliminate duplicates Z: 15 14.466 1.754 0.522 0.859 1.000 0.786 CA 1.066 15 residues pruned to eliminate duplicates Z: 9 11.660 1.417 0.981 0.875 1.000 1.000 CB 1.069 2 residues pruned to eliminate duplicates Z: 9 8.101 1.735 0.578 0.592 0.750 0.625 CA 1.277 8 residues pruned to eliminate duplicates Z: 7 5.654 1.605 0.368 0.899 1.000 0.833 CB 0.751 7 residues pruned to eliminate duplicates Z: 9 2.541 1.578 -0.020 0.312 0.625 0.375 CB 1.144 Z: 10 5.723 1.664 0.198 0.608 0.778 0.778 CB 1.110 8 residues pruned to eliminate duplicates Z: 7 5.502 1.426 0.404 0.821 1.000 0.833 CB 0.849 Z: 9 5.686 1.551 0.418 0.615 0.875 0.500 CB 0.937 6 residues pruned to eliminate duplicates Z: 7 3.230 1.537 0.099 0.363 0.833 0.500 N 1.085 Z: 20 6.803 1.519 0.278 0.373 0.895 0.474 CB 1.029 20 residues pruned to eliminate duplicates Z: 25 12.392 1.876 0.596 0.461 0.833 0.500 CB 1.055 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 11.258 1.696 0.393 0.843 1.000 0.571 CB 0.949 15 residues pruned to eliminate duplicates Z: 23 11.519 1.769 0.262 0.613 0.909 0.591 CB 1.087 15 residues pruned to eliminate duplicates Z: 15 13.388 1.762 0.390 0.853 1.000 0.786 CB 1.080 15 residues pruned to eliminate duplicates Z: 16 9.753 1.864 0.175 0.522 0.867 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 13 7.287 1.735 0.359 0.546 0.750 0.583 CB 1.137 13 residues pruned to eliminate duplicates Z: 11 9.696 1.927 0.564 0.637 0.800 0.800 CB 1.118 11 residues pruned to eliminate duplicates Z: 16 11.800 1.934 0.254 0.531 0.933 0.600 CB 1.305 17 residues pruned to eliminate duplicates Z: 17 13.228 1.679 0.406 0.860 1.000 0.688 CB 1.030 17 residues pruned to eliminate duplicates Z: 25 9.485 1.798 0.175 0.473 0.833 0.458 CB 1.130 23 residues pruned to eliminate duplicates Z: 12 14.954 1.826 0.542 0.890 1.000 0.909 CA 1.152 12 residues pruned to eliminate duplicates Z: 8 9.516 1.888 0.101 0.657 1.000 0.714 CB 1.496 8 residues pruned to eliminate duplicates Z: 8 9.072 1.849 0.242 0.644 1.000 0.857 CB 1.305 8 residues pruned to eliminate duplicates Z: 6 3.080 1.424 0.032 0.417 1.000 0.800 O 1.022 Z: 7 6.295 1.502 0.978 0.441 0.833 0.667 CA 1.102 Z: 6 2.929 1.576 0.509 0.387 0.600 0.600 CA 1.035 6 residues pruned to eliminate duplicates Z: 7 9.979 1.732 0.874 0.682 0.833 0.833 N 1.274 Z: 16 21.618 1.795 0.753 0.833 0.933 0.667 CA 1.426 16 residues pruned to eliminate duplicates Z: 16 18.078 1.755 0.624 0.886 0.867 0.533 CA 1.363 16 residues pruned to eliminate duplicates Z: 16 20.299 1.710 0.997 0.809 0.867 0.600 CB 1.353 16 residues pruned to eliminate duplicates Z: 17 15.925 1.550 0.924 0.654 0.875 0.500 N 1.323 17 residues pruned to eliminate duplicates Z: 17 16.597 1.643 1.109 0.638 0.812 0.688 CA 1.294 17 residues pruned to eliminate duplicates Z: 15 22.665 1.778 0.927 0.848 0.929 0.500 N 1.413 18 residues pruned to eliminate duplicates Z: 15 22.441 1.751 0.927 0.892 0.929 0.714 CB 1.375 15 residues pruned to eliminate duplicates Z: 15 22.287 1.797 0.954 0.899 0.857 0.571 CA 1.414 15 residues pruned to eliminate duplicates Z: 16 23.556 1.757 0.829 0.870 0.933 0.667 N 1.481 15 residues pruned to eliminate duplicates Z: 14 22.055 1.765 0.948 0.876 0.923 0.538 N 1.401 14 residues pruned to eliminate duplicates Z: 15 25.025 1.791 0.951 0.832 1.000 0.571 CA 1.437 15 residues pruned to eliminate duplicates Z: 15 22.434 1.796 0.794 0.881 0.929 0.643 CA 1.451 15 residues pruned to eliminate duplicates Z: 16 21.416 1.735 0.965 0.821 1.000 0.600 CA 1.227 16 residues pruned to eliminate duplicates Z: 15 22.484 1.793 0.845 0.904 1.000 0.643 CA 1.294 15 residues pruned to eliminate duplicates Z: 15 24.252 1.748 1.133 0.925 1.000 0.571 CA 1.219 15 residues pruned to eliminate duplicates Z: 18 24.406 1.664 1.075 0.899 1.000 0.647 CB 1.226 16 residues pruned to eliminate duplicates Z: 17 21.551 1.662 0.995 0.902 0.938 0.562 CA 1.236 17 residues pruned to eliminate duplicates Z: 10 14.116 1.819 0.672 0.615 1.000 0.667 CA 1.388 21 residues pruned to eliminate duplicates Z: 8 12.158 1.967 0.547 0.613 1.000 0.714 CA 1.356 8 residues pruned to eliminate duplicates Z: 25 21.737 1.952 0.406 0.665 0.917 0.625 CB 1.513 26 residues pruned to eliminate duplicates Z: 8 7.421 1.508 0.702 0.745 0.714 0.429 CA 1.228 8 residues pruned to eliminate duplicates Z: 25 20.162 1.928 0.497 0.630 0.833 0.583 CA 1.514 25 residues pruned to eliminate duplicates Z: 25 19.246 1.940 0.380 0.572 0.917 0.542 CA 1.493 24 residues pruned to eliminate duplicates Z: 8 7.628 1.790 0.323 0.674 0.857 0.429 CA 1.210 8 residues pruned to eliminate duplicates Z: 22 18.830 1.954 0.535 0.565 0.905 0.619 CA 1.421 22 residues pruned to eliminate duplicates Z: 26 21.073 1.892 0.513 0.607 0.880 0.560 CA 1.511 26 residues pruned to eliminate duplicates Z: 22 16.782 1.930 0.373 0.510 0.857 0.333 CB 1.597 22 residues pruned to eliminate duplicates Z: 14 14.845 1.841 0.492 0.745 0.923 0.846 CA 1.304 14 residues pruned to eliminate duplicates Z: 14 13.959 1.757 0.421 0.749 0.923 0.846 N 1.345 14 residues pruned to eliminate duplicates Z: 13 12.800 1.816 0.423 0.772 0.833 0.667 CA 1.350 13 residues pruned to eliminate duplicates Z: 15 9.159 1.678 0.462 0.526 0.857 0.643 N 1.134 15 residues pruned to eliminate duplicates Z: 14 18.475 1.849 0.529 0.783 1.000 0.692 CA 1.412 14 residues pruned to eliminate duplicates Z: 24 16.984 1.872 0.583 0.524 0.826 0.435 CB 1.413 24 residues pruned to eliminate duplicates Z: 29 19.745 1.855 0.512 0.575 0.893 0.536 CB 1.386 28 residues pruned to eliminate duplicates Z: 14 19.190 1.763 0.721 0.877 0.923 0.692 N 1.380 14 residues pruned to eliminate duplicates Z: 15 19.497 1.687 0.658 0.842 1.000 0.500 N 1.388 14 residues pruned to eliminate duplicates Z: 13 18.111 1.831 0.630 0.890 0.917 0.417 CB 1.374 13 residues pruned to eliminate duplicates Z: 14 18.935 1.820 0.666 0.834 0.923 0.615 N 1.406 14 residues pruned to eliminate duplicates Z: 17 16.583 1.657 0.718 0.714 1.000 0.812 CB 1.200 17 residues pruned to eliminate duplicates Z: 14 12.716 1.908 0.721 0.736 0.846 0.769 CB 1.027 13 residues pruned to eliminate duplicates Z: 13 13.768 1.909 0.460 0.815 0.917 0.583 CB 1.183 13 residues pruned to eliminate duplicates Z: 9 14.953 2.047 0.651 0.768 1.000 0.500 CB 1.233 9 residues pruned to eliminate duplicates Z: 25 19.487 1.954 0.575 0.499 0.917 0.458 CB 1.411 33 residues pruned to eliminate duplicates Z: 10 14.365 1.977 0.591 0.838 1.000 0.667 CB 1.138 10 residues pruned to eliminate duplicates Z: 15 12.020 1.838 0.765 0.717 0.857 0.643 CB 0.950 15 residues pruned to eliminate duplicates Z: 12 15.650 1.936 0.597 0.821 1.000 0.545 CB 1.155 12 residues pruned to eliminate duplicates Z: 11 16.645 1.964 0.886 0.880 1.000 0.700 CB 1.030 11 residues pruned to eliminate duplicates Z: 12 15.635 1.871 0.772 0.878 1.000 0.545 CB 1.032 12 residues pruned to eliminate duplicates Z: 20 18.553 2.019 0.460 0.638 0.947 0.737 CA 1.339 20 residues pruned to eliminate duplicates Z: 23 18.313 1.946 0.421 0.550 0.909 0.545 CA 1.478 23 residues pruned to eliminate duplicates Z: 22 20.048 2.068 0.583 0.573 0.905 0.571 CA 1.377 22 residues pruned to eliminate duplicates Z: 21 17.698 1.933 0.356 0.593 0.900 0.550 N 1.535 21 residues pruned to eliminate duplicates Z: 21 15.285 1.924 0.547 0.548 0.850 0.550 CA 1.289 21 residues pruned to eliminate duplicates Z: 19 22.796 2.067 0.490 0.607 0.944 0.556 CA 1.668 19 residues pruned to eliminate duplicates Z: 18 24.849 2.059 0.697 0.694 0.941 0.471 CA 1.535 18 residues pruned to eliminate duplicates Z: 25 20.379 1.887 0.585 0.584 0.917 0.458 CA 1.400 16 residues pruned to eliminate duplicates Z: 14 26.054 2.041 1.114 0.849 0.923 0.538 CB 1.345 14 residues pruned to eliminate duplicates Z: 18 27.228 2.106 0.702 0.699 1.000 0.706 CA 1.536 27 residues pruned to eliminate duplicates Z: 13 27.272 2.095 1.070 0.855 0.917 0.500 CA 1.462 13 residues pruned to eliminate duplicates Z: 18 23.498 2.089 0.639 0.677 0.882 0.647 CA 1.603 18 residues pruned to eliminate duplicates Z: 19 18.256 1.988 0.556 0.624 0.889 0.556 CA 1.393 19 residues pruned to eliminate duplicates Z: 17 18.611 2.126 0.558 0.726 0.812 0.625 CA 1.411 17 residues pruned to eliminate duplicates Z: 17 20.403 2.075 0.594 0.662 0.875 0.625 CA 1.517 17 residues pruned to eliminate duplicates Z: 24 19.156 2.018 0.617 0.518 0.870 0.565 CA 1.383 24 residues pruned to eliminate duplicates Z: 28 18.090 1.924 0.529 0.563 0.852 0.519 CA 1.306 24 residues pruned to eliminate duplicates Z: 7 3.857 1.518 0.578 0.365 0.833 0.333 CA 0.912 7 residues pruned to eliminate duplicates Z: 10 3.421 1.732 0.118 0.315 0.778 0.111 CA 0.929 10 residues pruned to eliminate duplicates Z: 6 5.494 1.938 0.612 0.548 0.800 0.600 CA 0.938 6 residues pruned to eliminate duplicates Z: 8 11.788 1.880 0.823 0.627 1.000 0.714 CB 1.154 9 residues pruned to eliminate duplicates Z: 8 5.110 1.554 0.438 0.882 0.857 0.857 CB 0.730 8 residues pruned to eliminate duplicates Z: 11 10.184 1.657 0.592 0.858 1.000 0.700 CB 0.899 12 residues pruned to eliminate duplicates Z: 8 8.811 1.657 0.717 0.839 0.857 0.714 CB 1.020 8 residues pruned to eliminate duplicates Z: 7 4.715 1.632 0.560 0.766 0.833 0.667 CB 0.716 7 residues pruned to eliminate duplicates Z: 8 6.144 1.587 0.767 0.709 0.857 0.714 CB 0.799 8 residues pruned to eliminate duplicates Z: 9 10.143 1.606 0.626 0.842 1.000 0.500 CA 1.023 9 residues pruned to eliminate duplicates Z: 11 10.140 1.535 0.743 0.824 1.000 0.800 CB 0.905 11 residues pruned to eliminate duplicates Z: 11 9.077 1.534 0.862 0.759 1.000 0.700 CB 0.798 11 residues pruned to eliminate duplicates Z: 11 7.490 1.514 0.844 0.804 0.900 0.700 CB 0.723 11 residues pruned to eliminate duplicates Z: 10 8.697 1.619 0.712 0.822 0.889 0.667 CB 0.890 10 residues pruned to eliminate duplicates Z: 11 8.624 1.554 0.678 0.866 1.000 0.800 CB 0.766 10 residues pruned to eliminate duplicates Z: 13 17.181 1.823 0.748 0.809 0.833 0.750 CB 1.427 13 residues pruned to eliminate duplicates Z: 12 10.135 1.892 0.807 0.593 0.727 0.455 CB 1.124 12 residues pruned to eliminate duplicates Z: 14 24.181 1.972 0.870 0.819 1.000 0.615 CB 1.379 15 residues pruned to eliminate duplicates Z: 13 20.334 1.945 0.685 0.877 0.917 0.500 CA 1.419 13 residues pruned to eliminate duplicates Z: 14 21.783 1.986 0.798 0.823 0.923 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 13 19.826 1.997 0.677 0.827 1.000 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 14 21.752 1.969 0.644 0.828 1.000 0.769 CB 1.403 14 residues pruned to eliminate duplicates Z: 14 25.495 1.979 0.891 0.821 1.000 0.692 CB 1.430 14 residues pruned to eliminate duplicates Z: 15 17.467 1.964 0.637 0.765 0.929 0.643 CB 1.236 14 residues pruned to eliminate duplicates Z: 14 26.450 2.005 0.863 0.897 1.000 0.692 CB 1.406 14 residues pruned to eliminate duplicates Z: 13 21.466 2.016 0.600 0.884 1.000 0.667 CA 1.388 13 residues pruned to eliminate duplicates Z: 13 25.908 2.017 0.843 0.900 1.000 0.917 CA 1.437 13 residues pruned to eliminate duplicates Z: 30 24.246 1.882 0.467 0.658 0.931 0.690 CB 1.512 30 residues pruned to eliminate duplicates Z: 15 10.076 1.723 0.249 0.551 0.857 0.571 CA 1.389 10 residues pruned to eliminate duplicates Z: 7 3.751 1.300 0.322 0.685 1.000 0.667 CB 0.752 7 residues pruned to eliminate duplicates Z: 29 26.845 1.916 0.579 0.667 0.929 0.643 CA 1.548 28 residues pruned to eliminate duplicates Z: 7 7.482 1.663 0.624 0.463 1.000 0.667 CA 1.174 7 residues pruned to eliminate duplicates Z: 28 22.887 1.954 0.480 0.578 0.889 0.667 CB 1.589 28 residues pruned to eliminate duplicates Z: 25 26.737 2.048 0.571 0.662 0.917 0.667 CB 1.593 25 residues pruned to eliminate duplicates Z: 45 23.100 1.909 0.558 0.489 0.841 0.523 CB 1.408 45 residues pruned to eliminate duplicates Z: 27 28.792 1.956 0.608 0.694 1.000 0.731 CB 1.504 28 residues pruned to eliminate duplicates Z: 15 27.134 2.085 0.541 0.906 1.000 0.857 CA 1.605 15 residues pruned to eliminate duplicates Z: 42 29.500 2.027 0.583 0.486 0.951 0.683 CB 1.531 39 residues pruned to eliminate duplicates Z: 15 31.607 2.072 0.765 0.927 1.000 0.643 CA 1.618 15 residues pruned to eliminate duplicates Z: 45 25.336 1.921 0.595 0.481 0.886 0.591 CB 1.434 45 residues pruned to eliminate duplicates Z: 29 26.166 1.980 0.710 0.586 0.893 0.607 CA 1.506 29 residues pruned to eliminate duplicates Z: 23 33.558 2.128 0.644 0.718 1.000 0.818 CA 1.679 23 residues pruned to eliminate duplicates Z: 43 21.970 1.932 0.607 0.464 0.857 0.452 CB 1.321 43 residues pruned to eliminate duplicates Z: 33 22.911 1.988 0.492 0.559 0.906 0.688 CB 1.423 33 residues pruned to eliminate duplicates Z: 24 29.501 2.071 0.625 0.687 0.913 0.739 CB 1.687 24 residues pruned to eliminate duplicates Z: 16 25.432 1.978 0.885 0.826 0.933 0.267 CA 1.423 16 residues pruned to eliminate duplicates Z: 24 25.548 1.988 0.833 0.642 0.957 0.435 CB 1.339 24 residues pruned to eliminate duplicates Z: 38 28.437 2.010 0.781 0.519 0.919 0.676 CB 1.394 39 residues pruned to eliminate duplicates Z: 14 30.378 2.055 1.238 0.836 0.923 0.231 CB 1.485 14 residues pruned to eliminate duplicates Z: 26 22.568 1.963 1.028 0.615 0.880 0.600 CB 1.156 26 residues pruned to eliminate duplicates Z: 42 26.633 1.946 0.692 0.486 0.902 0.683 CB 1.419 42 residues pruned to eliminate duplicates Z: 17 9.063 1.880 0.263 0.270 0.812 0.562 CA 1.525 17 residues pruned to eliminate duplicates Z: 43 21.544 1.941 0.624 0.460 0.810 0.357 CB 1.357 43 residues pruned to eliminate duplicates Z: 19 12.119 1.879 0.284 0.335 0.944 0.556 CB 1.502 19 residues pruned to eliminate duplicates Z: 31 25.060 2.004 0.728 0.519 0.933 0.567 CB 1.390 31 residues pruned to eliminate duplicates Z: 41 23.391 1.972 0.573 0.474 0.925 0.525 CB 1.324 41 residues pruned to eliminate duplicates Z: 39 25.353 2.009 0.710 0.494 0.842 0.421 CB 1.430 39 residues pruned to eliminate duplicates Z: 20 12.947 1.860 0.504 0.307 0.895 0.421 CB 1.470 20 residues pruned to eliminate duplicates Z: 19 12.181 1.856 0.387 0.361 0.944 0.500 CB 1.371 19 residues pruned to eliminate duplicates Z: 16 11.150 1.935 0.579 0.299 0.867 0.400 CB 1.362 16 residues pruned to eliminate duplicates Z: 38 24.907 2.001 0.492 0.424 0.973 0.541 CB 1.525 38 residues pruned to eliminate duplicates Z: 43 24.314 1.952 0.652 0.478 0.881 0.476 CB 1.351 43 residues pruned to eliminate duplicates Z: 19 10.769 1.942 0.229 0.337 0.889 0.722 CB 1.429 19 residues pruned to eliminate duplicates Z: 20 11.610 1.914 0.321 0.294 0.895 0.579 CB 1.482 20 residues pruned to eliminate duplicates Z: 43 26.938 1.988 0.607 0.484 0.929 0.619 CB 1.424 43 residues pruned to eliminate duplicates Z: 18 11.698 1.914 0.401 0.370 1.000 0.529 CB 1.217 18 residues pruned to eliminate duplicates Z: 6 7.273 1.787 0.325 0.652 1.000 0.800 CB 1.193 6 residues pruned to eliminate duplicates Z: 31 17.593 1.860 0.401 0.561 0.900 0.833 CA 1.291 31 residues pruned to eliminate duplicates Z: 16 7.770 1.743 0.376 0.403 0.733 0.600 CB 1.263 16 residues pruned to eliminate duplicates Z: 30 22.200 1.864 0.607 0.589 0.931 0.759 CB 1.357 30 residues pruned to eliminate duplicates Z: 28 24.996 1.918 0.681 0.604 0.963 0.704 CA 1.403 28 residues pruned to eliminate duplicates Z: 15 9.610 1.780 0.450 0.303 0.929 0.714 CB 1.334 15 residues pruned to eliminate duplicates Z: 34 20.865 1.836 0.524 0.586 0.848 0.545 CB 1.409 34 residues pruned to eliminate duplicates Z: 18 8.641 1.699 0.558 0.304 0.824 0.647 CB 1.195 18 residues pruned to eliminate duplicates Z: 33 20.874 1.839 0.574 0.504 0.938 0.625 CA 1.355 36 residues pruned to eliminate duplicates Z: 17 24.005 1.936 0.994 0.780 1.000 0.750 CA 1.215 17 residues pruned to eliminate duplicates Z: 28 26.981 1.910 0.825 0.571 0.963 0.630 CA 1.445 28 residues pruned to eliminate duplicates Z: 27 23.078 1.923 0.619 0.552 1.000 0.577 CA 1.382 27 residues pruned to eliminate duplicates Z: 27 22.707 1.938 0.617 0.546 0.962 0.731 CA 1.413 27 residues pruned to eliminate duplicates Z: 28 26.411 1.898 0.719 0.599 1.000 0.630 CB 1.418 28 residues pruned to eliminate duplicates Z: 17 22.690 1.962 0.762 0.734 1.000 0.375 CA 1.329 17 residues pruned to eliminate duplicates Z: 25 24.988 1.940 0.793 0.583 1.000 0.625 CB 1.354 25 residues pruned to eliminate duplicates Z: 16 23.514 2.010 0.767 0.768 1.000 0.600 CA 1.348 16 residues pruned to eliminate duplicates Z: 16 25.610 1.986 0.939 0.713 1.000 0.667 CA 1.416 16 residues pruned to eliminate duplicates Z: 26 22.721 1.905 0.831 0.587 0.960 0.640 CB 1.249 26 residues pruned to eliminate duplicates Z: 29 24.133 1.884 0.789 0.573 0.893 0.500 CA 1.412 29 residues pruned to eliminate duplicates Z: 15 25.746 2.056 0.835 0.782 1.000 0.714 CA 1.423 15 residues pruned to eliminate duplicates Z: 30 27.000 1.872 0.675 0.596 1.000 0.552 CB 1.459 34 residues pruned to eliminate duplicates Z: 15 20.796 2.015 0.735 0.851 0.929 0.571 CA 1.268 15 residues pruned to eliminate duplicates Z: 16 23.460 1.998 0.905 0.696 1.000 0.533 CA 1.331 16 residues pruned to eliminate duplicates Z: 29 22.860 1.878 0.685 0.571 0.929 0.393 CA 1.372 29 residues pruned to eliminate duplicates Z: 9 7.160 1.720 0.432 0.399 0.875 0.500 CB 1.307 7 residues pruned to eliminate duplicates Z: 6 3.051 1.321 0.355 0.366 1.000 0.800 O 0.881 6 residues pruned to eliminate duplicates Z: 19 14.801 1.937 0.461 0.427 0.889 0.611 CB 1.495 19 residues pruned to eliminate duplicates Z: 18 11.143 1.852 0.424 0.461 0.824 0.529 CB 1.294 17 residues pruned to eliminate duplicates Z: 14 18.529 1.790 0.782 0.663 1.000 0.462 CB 1.385 18 residues pruned to eliminate duplicates Z: 9 16.757 2.034 0.743 0.774 1.000 0.750 CA 1.312 9 residues pruned to eliminate duplicates Z: 12 13.614 2.079 0.755 0.426 0.818 0.545 CA 1.484 12 residues pruned to eliminate duplicates Z: 16 13.395 1.982 0.482 0.494 0.933 0.600 CB 1.269 16 residues pruned to eliminate duplicates Z: 36 27.303 1.986 0.964 0.571 0.857 0.371 CB 1.290 41 residues pruned to eliminate duplicates Z: 8 14.770 1.986 0.597 0.784 1.000 0.571 CA 1.371 8 residues pruned to eliminate duplicates Z: 15 11.468 1.963 0.485 0.479 0.857 0.643 CB 1.253 15 residues pruned to eliminate duplicates Z: 33 31.127 2.004 0.675 0.665 0.938 0.750 CA 1.501 33 residues pruned to eliminate duplicates Z: 35 27.452 1.981 0.544 0.630 0.912 0.647 CB 1.495 35 residues pruned to eliminate duplicates Z: 31 29.555 2.023 0.600 0.703 0.933 0.767 CB 1.485 31 residues pruned to eliminate duplicates Z: 36 28.578 1.974 0.682 0.593 0.886 0.629 CB 1.503 36 residues pruned to eliminate duplicates Z: 32 33.342 1.967 0.812 0.689 0.968 0.677 CB 1.461 32 residues pruned to eliminate duplicates Z: 25 20.298 1.911 0.562 0.676 0.833 0.750 CB 1.415 31 residues pruned to eliminate duplicates Z: 18 32.907 2.061 0.808 0.864 1.000 0.941 CA 1.571 18 residues pruned to eliminate duplicates Z: 18 28.538 2.020 0.792 0.825 0.941 0.706 CB 1.533 18 residues pruned to eliminate duplicates Z: 38 30.807 1.918 0.781 0.650 0.946 0.622 CB 1.362 38 residues pruned to eliminate duplicates Z: 33 33.590 2.007 0.776 0.699 0.938 0.750 CB 1.483 33 residues pruned to eliminate duplicates Z: 18 32.374 2.039 0.835 0.860 1.000 0.706 CB 1.543 18 residues pruned to eliminate duplicates Z: 18 34.123 2.036 1.032 0.809 1.000 0.765 CB 1.529 18 residues pruned to eliminate duplicates Z: 37 29.893 1.899 0.869 0.595 0.917 0.611 CB 1.398 37 residues pruned to eliminate duplicates Z: 18 35.787 2.051 1.080 0.882 1.000 0.765 CB 1.473 18 residues pruned to eliminate duplicates Z: 19 30.952 1.995 0.873 0.876 1.000 0.944 CB 1.419 19 residues pruned to eliminate duplicates Z: 33 27.661 1.961 0.758 0.613 0.938 0.562 CB 1.358 33 residues pruned to eliminate duplicates Z: 20 27.484 1.980 0.854 0.820 0.947 0.737 CB 1.373 20 residues pruned to eliminate duplicates Z: 19 30.186 2.003 0.926 0.825 0.944 0.889 CB 1.474 19 residues pruned to eliminate duplicates Z: 19 31.287 2.019 1.010 0.827 0.944 0.944 CB 1.451 19 residues pruned to eliminate duplicates Z: 18 37.622 2.097 0.999 0.922 1.000 0.824 CB 1.531 18 residues pruned to eliminate duplicates Z: 7 3.991 1.574 0.460 0.263 0.833 0.333 CB 1.115 7 residues pruned to eliminate duplicates Z: 24 12.336 1.854 0.346 0.324 0.870 0.391 CA 1.439 26 residues pruned to eliminate duplicates Z: 6 3.485 1.787 0.111 0.349 0.800 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 16 11.422 1.882 0.293 0.424 0.933 0.667 CB 1.404 16 residues pruned to eliminate duplicates Z: 22 12.161 1.816 0.422 0.357 0.857 0.333 CB 1.398 22 residues pruned to eliminate duplicates Z: 22 9.790 1.737 0.358 0.306 0.857 0.429 CB 1.312 22 residues pruned to eliminate duplicates Z: 15 7.894 1.938 0.513 0.306 0.714 0.429 CB 1.249 15 residues pruned to eliminate duplicates Z: 27 14.043 1.746 0.507 0.406 0.846 0.577 CA 1.366 27 residues pruned to eliminate duplicates Z: 22 11.693 1.889 0.322 0.333 0.857 0.333 CB 1.431 22 residues pruned to eliminate duplicates Z: 22 10.019 1.809 0.462 0.324 0.714 0.333 CA 1.403 22 residues pruned to eliminate duplicates Z: 14 7.094 1.932 0.299 0.233 0.846 0.308 CB 1.264 14 residues pruned to eliminate duplicates Z: 13 7.701 1.938 0.170 0.298 0.833 0.583 CB 1.474 13 residues pruned to eliminate duplicates Z: 14 7.813 1.938 0.050 0.257 1.000 0.462 CB 1.407 14 residues pruned to eliminate duplicates Z: 10 5.124 1.777 0.532 0.292 0.667 0.111 CA 1.188 10 residues pruned to eliminate duplicates Z: 20 8.142 1.780 0.337 0.271 0.737 0.421 CA 1.381 20 residues pruned to eliminate duplicates Z: 23 9.652 1.828 0.316 0.256 0.818 0.273 CB 1.383 23 residues pruned to eliminate duplicates Z: 11 4.648 1.659 0.401 0.441 0.600 0.400 CA 1.121 11 residues pruned to eliminate duplicates Z: 14 8.931 1.622 0.664 0.417 0.769 0.308 CB 1.302 14 residues pruned to eliminate duplicates Z: 26 13.568 1.804 0.417 0.382 0.880 0.440 CA 1.368 26 residues pruned to eliminate duplicates Z: 12 13.689 1.510 1.162 0.732 0.909 0.545 CB 1.128 12 residues pruned to eliminate duplicates Z: 8 6.802 1.469 0.372 0.765 1.000 0.571 CA 1.009 8 residues pruned to eliminate duplicates Z: 6 4.847 1.414 0.803 0.854 1.000 0.600 CB 0.627 6 residues pruned to eliminate duplicates Z: 18 12.286 1.591 0.648 0.619 1.000 0.412 CB 1.016 18 residues pruned to eliminate duplicates Z: 10 7.390 1.435 0.972 0.691 1.000 0.667 CB 0.731 10 residues pruned to eliminate duplicates Z: 18 10.922 1.564 0.769 0.595 0.882 0.471 CB 0.991 18 residues pruned to eliminate duplicates Z: 7 4.080 1.476 0.611 0.530 0.833 0.333 CB 0.816 7 residues pruned to eliminate duplicates Z: 10 6.418 1.818 0.537 0.362 0.889 0.889 CB 1.000 10 residues pruned to eliminate duplicates Z: 15 13.015 1.792 0.580 0.543 0.857 0.714 CB 1.374 15 residues pruned to eliminate duplicates Z: 21 24.138 1.935 0.837 0.711 0.950 0.800 CB 1.320 22 residues pruned to eliminate duplicates Z: 16 22.119 2.095 0.476 0.816 1.000 0.867 CA 1.403 16 residues pruned to eliminate duplicates Z: 14 11.287 1.933 0.312 0.541 0.923 0.462 CB 1.284 14 residues pruned to eliminate duplicates Z: 14 11.109 1.912 0.487 0.529 0.846 0.615 CB 1.244 14 residues pruned to eliminate duplicates Z: 21 21.940 1.907 0.665 0.713 1.000 0.750 CB 1.274 21 residues pruned to eliminate duplicates Z: 24 21.901 1.874 0.736 0.670 0.957 0.696 CB 1.254 24 residues pruned to eliminate duplicates Z: 20 28.279 1.989 0.889 0.762 1.000 0.842 CB 1.369 19 residues pruned to eliminate duplicates Z: 15 25.118 2.013 0.629 0.846 1.000 0.571 CA 1.520 15 residues pruned to eliminate duplicates Z: 22 20.750 1.934 0.608 0.659 0.905 0.619 CB 1.388 22 residues pruned to eliminate duplicates Z: 21 28.255 1.997 0.906 0.753 0.950 0.850 CB 1.395 21 residues pruned to eliminate duplicates Z: 14 24.853 2.019 0.871 0.915 0.923 0.692 CA 1.398 14 residues pruned to eliminate duplicates Z: 21 27.045 1.989 0.895 0.732 0.950 0.700 CB 1.370 21 residues pruned to eliminate duplicates Z: 22 26.018 1.938 0.810 0.732 0.905 0.810 CA 1.452 21 residues pruned to eliminate duplicates Z: 14 30.149 2.076 0.924 0.941 1.000 0.846 CA 1.452 14 residues pruned to eliminate duplicates Z: 21 26.775 1.979 0.819 0.738 0.950 0.700 CB 1.414 22 residues pruned to eliminate duplicates Z: 14 30.794 2.082 0.944 0.939 1.000 0.846 CA 1.466 14 residues pruned to eliminate duplicates Z: 8 3.316 1.556 0.069 0.276 0.857 0.429 O 1.133 7 residues pruned to eliminate duplicates Z: 10 6.599 1.565 0.618 0.422 0.778 0.333 CA 1.211 20 residues pruned to eliminate duplicates Z: 9 3.293 1.626 -0.027 0.443 0.750 0.125 CB 1.041 Z: 6 3.155 1.684 0.377 0.433 0.800 0.600 CA 0.816 7 residues pruned to eliminate duplicates Z: 7 4.700 1.553 0.734 0.366 0.833 0.667 N 0.988 7 residues pruned to eliminate duplicates Z: 7 5.037 1.426 0.411 0.435 1.000 0.667 CA 1.093 7 residues pruned to eliminate duplicates Z: 52 20.951 1.899 0.602 0.449 0.882 0.647 CB 1.151 64 residues pruned to eliminate duplicates Z: 8 6.755 1.531 0.566 0.631 1.000 0.286 CB 0.942 8 residues pruned to eliminate duplicates Z: 34 24.440 2.038 0.506 0.539 0.970 0.576 CB 1.376 37 residues pruned to eliminate duplicates Z: 6 3.924 1.402 0.712 0.582 0.600 0.600 C 1.126 6 residues pruned to eliminate duplicates Z: 29 30.271 2.083 0.667 0.633 1.000 0.714 CB 1.454 29 residues pruned to eliminate duplicates Z: 45 21.920 1.976 0.501 0.488 0.864 0.545 CB 1.305 50 residues pruned to eliminate duplicates Z: 7 2.929 1.471 0.401 0.380 0.667 0.500 CA 0.989 7 residues pruned to eliminate duplicates Z: 37 22.091 2.018 0.484 0.525 0.917 0.583 CB 1.309 37 residues pruned to eliminate duplicates Z: 31 26.109 2.057 0.538 0.571 0.967 0.600 CB 1.455 31 residues pruned to eliminate duplicates Z: 36 24.469 1.996 0.552 0.529 0.914 0.543 CB 1.419 36 residues pruned to eliminate duplicates Z: 28 24.459 2.073 0.619 0.539 0.926 0.667 CB 1.458 28 residues pruned to eliminate duplicates Z: 38 19.951 1.908 0.564 0.513 0.838 0.486 CB 1.295 38 residues pruned to eliminate duplicates Z: 35 25.266 2.018 0.516 0.537 0.941 0.676 CB 1.451 35 residues pruned to eliminate duplicates Z: 37 21.455 1.997 0.569 0.476 0.917 0.500 CB 1.276 37 residues pruned to eliminate duplicates Z: 36 20.387 1.935 0.556 0.472 0.886 0.514 CB 1.330 36 residues pruned to eliminate duplicates Z: 36 21.575 1.977 0.438 0.483 0.943 0.600 CB 1.385 36 residues pruned to eliminate duplicates Z: 35 21.695 2.007 0.513 0.502 0.941 0.529 CB 1.299 35 residues pruned to eliminate duplicates Z: 32 24.997 1.998 0.575 0.572 0.935 0.613 CB 1.422 32 residues pruned to eliminate duplicates Z: 37 21.582 1.960 0.474 0.474 0.972 0.667 CB 1.315 37 residues pruned to eliminate duplicates Z: 33 23.326 1.989 0.591 0.522 0.969 0.594 CB 1.316 33 residues pruned to eliminate duplicates Z: 37 22.362 1.994 0.506 0.493 0.944 0.556 CB 1.323 37 residues pruned to eliminate duplicates Z: 35 22.535 1.958 0.640 0.517 0.912 0.500 CB 1.299 35 residues pruned to eliminate duplicates Z: 30 21.813 1.935 0.567 0.536 0.897 0.586 CB 1.438 30 residues pruned to eliminate duplicates Z: 31 25.709 2.023 0.627 0.562 0.933 0.700 CB 1.439 31 residues pruned to eliminate duplicates Z: 31 26.657 2.033 0.626 0.566 0.933 0.500 CB 1.480 31 residues pruned to eliminate duplicates Z: 34 23.641 2.061 0.496 0.526 0.939 0.515 CB 1.384 34 residues pruned to eliminate duplicates Z: 18 11.180 1.780 0.417 0.558 0.941 0.412 CB 1.080 18 residues pruned to eliminate duplicates Z: 7 10.105 1.874 0.688 0.765 0.833 0.500 CB 1.237 7 residues pruned to eliminate duplicates Z: 15 8.159 1.787 0.432 0.659 0.857 0.643 CB 0.858 15 residues pruned to eliminate duplicates Z: 9 9.126 1.640 0.965 0.810 0.875 0.625 CB 0.873 8 residues pruned to eliminate duplicates Z: 10 10.630 1.696 0.851 0.793 0.889 0.667 CB 0.982 9 residues pruned to eliminate duplicates Z: 9 11.350 1.691 0.769 0.765 0.875 0.500 CB 1.212 9 residues pruned to eliminate duplicates Z: 7 3.596 1.827 -0.101 0.476 0.667 0.333 CB 1.374 7 residues pruned to eliminate duplicates Z: 11 7.318 1.912 0.708 0.218 0.800 0.200 CB 1.233 11 residues pruned to eliminate duplicates Z: 6 5.597 1.870 0.911 0.454 0.600 0.400 CB 1.224 6 residues pruned to eliminate duplicates Z: 14 5.489 1.692 0.254 0.322 0.692 0.385 CB 1.260 14 residues pruned to eliminate duplicates Z: 15 10.444 1.894 0.387 0.463 0.929 0.714 CB 1.188 15 residues pruned to eliminate duplicates Z: 13 4.001 1.820 0.224 0.193 0.667 0.333 CB 1.122 14 residues pruned to eliminate duplicates Z: 17 16.548 1.595 0.770 0.794 1.000 0.438 CB 1.133 11 residues pruned to eliminate duplicates Z: 13 17.450 1.569 0.976 0.911 0.917 0.583 CA 1.256 16 residues pruned to eliminate duplicates Z: 13 18.349 1.619 0.896 0.896 1.000 0.667 CA 1.236 13 residues pruned to eliminate duplicates Z: 18 12.059 1.533 0.625 0.700 0.941 0.412 CB 1.040 15 residues pruned to eliminate duplicates Z: 15 17.603 1.586 0.684 0.905 1.000 0.643 CB 1.255 15 residues pruned to eliminate duplicates Z: 12 15.527 1.657 0.803 0.789 0.909 0.636 CA 1.337 12 residues pruned to eliminate duplicates Z: 11 16.419 1.744 0.881 0.756 0.900 0.600 CB 1.400 11 residues pruned to eliminate duplicates Z: 12 14.685 1.675 0.863 0.734 0.909 0.636 CB 1.265 12 residues pruned to eliminate duplicates Z: 13 15.521 1.666 0.858 0.855 0.917 0.500 CB 1.165 13 residues pruned to eliminate duplicates Z: 11 16.093 1.695 0.864 0.823 0.900 0.400 CA 1.353 11 residues pruned to eliminate duplicates Z: 13 17.535 1.661 0.848 0.846 1.000 0.333 CA 1.225 13 residues pruned to eliminate duplicates Z: 10 19.003 1.719 1.032 0.803 1.000 0.333 CB 1.392 10 residues pruned to eliminate duplicates Z: 13 15.483 1.637 0.793 0.833 1.000 0.417 CB 1.143 13 residues pruned to eliminate duplicates Z: 13 7.017 1.480 0.712 0.411 0.750 0.500 CB 1.169 13 residues pruned to eliminate duplicates Z: 11 5.149 1.484 0.182 0.524 0.900 0.700 CB 1.007 7 residues pruned to eliminate duplicates 6 0.636 1.198 0.624 0.457 1.000 0.600 CA 0.153 ? Z: 6 5.273 1.642 0.207 0.610 0.800 0.600 CA 1.339 6 residues pruned to eliminate duplicates Z: 13 6.129 1.555 0.026 0.519 0.917 0.500 CB 1.188 11 residues pruned to eliminate duplicates 6 1.242 1.272 0.488 0.286 0.800 0.800 O 0.467 ? Z: 6 2.914 1.447 0.346 0.437 1.000 0.600 CB 0.714 Z: 18 22.864 1.754 0.772 0.935 0.941 0.471 CB 1.321 18 residues pruned to eliminate duplicates Z: 18 21.146 1.778 0.716 0.898 0.882 0.647 CB 1.363 18 residues pruned to eliminate duplicates Z: 18 20.857 1.793 0.535 0.858 0.941 0.765 CA 1.438 18 residues pruned to eliminate duplicates Z: 15 21.046 1.845 0.811 0.812 0.929 0.929 CB 1.382 15 residues pruned to eliminate duplicates Z: 15 24.292 1.831 0.868 0.829 1.000 0.857 CB 1.429 15 residues pruned to eliminate duplicates Z: 19 22.041 1.684 0.699 0.884 1.000 0.611 CB 1.312 19 residues pruned to eliminate duplicates Z: 15 19.290 1.858 0.834 0.816 0.857 0.571 CB 1.341 15 residues pruned to eliminate duplicates Z: 15 21.530 1.883 0.845 0.858 0.857 0.571 CB 1.423 15 residues pruned to eliminate duplicates Z: 15 20.238 1.841 0.776 0.805 0.857 0.857 CB 1.478 15 residues pruned to eliminate duplicates Z: 15 20.965 1.916 0.751 0.854 0.857 0.714 CB 1.439 15 residues pruned to eliminate duplicates Z: 15 16.387 1.884 0.609 0.742 0.857 0.500 CB 1.358 15 residues pruned to eliminate duplicates Z: 15 17.019 1.856 0.848 0.669 0.786 0.571 CB 1.443 15 residues pruned to eliminate duplicates Z: 16 13.162 1.805 0.831 0.610 0.667 0.533 CB 1.390 16 residues pruned to eliminate duplicates Z: 13 17.206 1.809 0.673 0.807 0.917 0.750 CB 1.369 13 residues pruned to eliminate duplicates Z: 32 20.849 1.953 0.438 0.693 0.871 0.677 CA 1.284 32 residues pruned to eliminate duplicates Z: 23 19.957 2.051 0.293 0.875 0.909 0.818 CA 1.283 23 residues pruned to eliminate duplicates Z: 41 36.577 1.969 0.744 0.848 0.925 0.825 CA 1.351 41 residues pruned to eliminate duplicates Z: 20 20.626 2.030 0.496 0.741 0.947 0.789 CA 1.325 20 residues pruned to eliminate duplicates Z: 23 20.764 2.009 0.634 0.634 0.818 0.682 CA 1.453 23 residues pruned to eliminate duplicates Z: 40 40.743 1.986 0.857 0.824 1.000 0.718 CB 1.337 40 residues pruned to eliminate duplicates Z: 25 37.645 2.102 0.837 0.913 0.958 0.958 CA 1.469 25 residues pruned to eliminate duplicates Z: 21 45.442 2.207 1.262 0.940 0.950 0.700 CA 1.488 21 residues pruned to eliminate duplicates Z: 20 41.197 2.214 1.178 0.893 1.000 0.632 CA 1.407 20 residues pruned to eliminate duplicates Z: 26 40.708 2.049 1.052 0.870 1.000 0.640 CA 1.413 26 residues pruned to eliminate duplicates Z: 24 44.352 2.118 1.222 0.921 0.957 0.565 CA 1.446 24 residues pruned to eliminate duplicates Z: 26 38.956 2.012 1.101 0.858 0.960 0.440 CB 1.414 26 residues pruned to eliminate duplicates Z: 21 40.409 2.131 1.312 0.856 0.950 0.650 CB 1.423 21 residues pruned to eliminate duplicates Z: 23 41.627 2.135 1.300 0.861 0.909 0.591 CA 1.460 23 residues pruned to eliminate duplicates Z: 24 37.067 2.093 1.079 0.907 0.913 0.348 CB 1.382 24 residues pruned to eliminate duplicates Z: 22 44.517 2.166 1.308 0.853 0.952 0.476 CB 1.508 22 residues pruned to eliminate duplicates Z: 22 39.405 2.079 1.276 0.818 0.952 0.238 CB 1.447 22 residues pruned to eliminate duplicates Z: 18 27.049 2.095 1.268 0.670 0.824 0.176 CB 1.432 18 residues pruned to eliminate duplicates Z: 23 36.209 2.092 1.397 0.853 0.818 0.227 CB 1.391 23 residues pruned to eliminate duplicates Z: 24 40.999 2.087 1.227 0.880 0.913 0.435 CB 1.460 24 residues pruned to eliminate duplicates Z: 40 42.033 1.959 1.041 0.826 0.949 0.513 CB 1.338 41 residues pruned to eliminate duplicates Z: 25 36.574 1.974 1.207 0.930 0.917 0.333 CB 1.307 25 residues pruned to eliminate duplicates Z: 28 39.650 1.993 1.158 0.841 1.000 0.481 CB 1.324 28 residues pruned to eliminate duplicates Z: 42 38.112 1.908 1.129 0.740 0.927 0.463 CB 1.276 42 residues pruned to eliminate duplicates Z: 20 20.195 1.991 0.458 0.603 0.947 0.895 CB 1.527 20 residues pruned to eliminate duplicates Z: 6 2.209 1.688 0.041 0.270 0.800 0.600 CB 0.912 6 residues pruned to eliminate duplicates Z: 49 23.904 1.862 0.546 0.558 0.896 0.479 CB 1.265 42 residues pruned to eliminate duplicates Z: 16 17.980 1.869 0.287 0.873 1.000 1.000 CA 1.406 16 residues pruned to eliminate duplicates Z: 22 18.460 1.967 0.412 0.565 0.905 0.714 CB 1.505 22 residues pruned to eliminate duplicates Z: 28 19.124 1.878 0.472 0.495 0.926 0.704 CA 1.445 28 residues pruned to eliminate duplicates Z: 20 16.742 1.971 0.346 0.541 0.947 0.632 CB 1.468 20 residues pruned to eliminate duplicates Z: 22 18.613 1.945 0.342 0.556 1.000 0.810 CB 1.474 22 residues pruned to eliminate duplicates Z: 23 18.728 1.883 0.552 0.553 0.955 0.682 CB 1.359 23 residues pruned to eliminate duplicates Z: 24 18.793 1.940 0.516 0.542 0.957 0.522 CB 1.336 24 residues pruned to eliminate duplicates Z: 37 29.908 2.012 0.652 0.659 0.944 0.722 CB 1.370 37 residues pruned to eliminate duplicates Z: 29 23.572 1.913 0.655 0.519 1.000 0.679 CB 1.381 29 residues pruned to eliminate duplicates Z: 21 22.725 1.969 0.564 0.635 1.000 0.950 CB 1.454 21 residues pruned to eliminate duplicates Z: 28 19.237 1.919 0.564 0.480 0.926 0.704 CB 1.360 28 residues pruned to eliminate duplicates Z: 23 19.326 1.949 0.450 0.595 0.955 0.591 CB 1.395 23 residues pruned to eliminate duplicates Z: 37 17.444 1.819 0.459 0.423 0.917 0.528 CB 1.296 37 residues pruned to eliminate duplicates Z: 41 15.792 1.761 0.461 0.397 0.900 0.500 CB 1.202 41 residues pruned to eliminate duplicates Z: 29 21.512 1.844 0.659 0.494 0.929 0.679 CB 1.440 29 residues pruned to eliminate duplicates Z: 40 18.284 1.750 0.512 0.464 0.923 0.436 CB 1.244 40 residues pruned to eliminate duplicates Z: 35 19.545 1.857 0.517 0.472 0.941 0.529 CB 1.301 35 residues pruned to eliminate duplicates Z: 28 15.225 1.858 0.519 0.519 0.852 0.333 CB 1.197 28 residues pruned to eliminate duplicates Z: 35 14.637 1.807 0.482 0.456 0.824 0.500 CB 1.191 35 residues pruned to eliminate duplicates Z: 11 5.789 1.560 0.641 0.343 1.000 0.600 CB 0.848 11 residues pruned to eliminate duplicates Z: 50 37.740 1.974 0.646 0.741 0.980 0.653 CB 1.364 47 residues pruned to eliminate duplicates Z: 12 14.083 1.771 0.482 0.813 0.909 0.636 CA 1.354 12 residues pruned to eliminate duplicates Z: 45 25.190 1.878 0.530 0.614 0.886 0.636 CB 1.339 45 residues pruned to eliminate duplicates Z: 21 22.379 1.920 0.748 0.791 0.900 0.650 CA 1.284 21 residues pruned to eliminate duplicates Z: 26 25.485 1.870 0.817 0.697 0.920 0.480 CA 1.362 26 residues pruned to eliminate duplicates Z: 46 22.956 1.874 0.658 0.509 0.844 0.578 CB 1.293 46 residues pruned to eliminate duplicates Z: 24 24.079 1.856 0.890 0.717 0.957 0.565 CB 1.230 24 residues pruned to eliminate duplicates Z: 46 26.107 1.922 0.664 0.663 0.889 0.578 CB 1.178 46 residues pruned to eliminate duplicates Z: 41 25.615 1.900 0.673 0.592 0.900 0.600 CB 1.297 41 residues pruned to eliminate duplicates Z: 30 21.376 1.987 0.678 0.609 0.931 0.345 CB 1.153 30 residues pruned to eliminate duplicates Z: 41 20.513 1.852 0.603 0.535 0.925 0.525 CB 1.140 41 residues pruned to eliminate duplicates Z: 35 31.266 2.002 0.743 0.683 1.000 0.559 CB 1.300 35 residues pruned to eliminate duplicates Z: 34 28.636 2.013 0.729 0.711 0.970 0.576 CB 1.219 34 residues pruned to eliminate duplicates Z: 47 23.751 1.796 0.702 0.624 0.848 0.478 CB 1.202 47 residues pruned to eliminate duplicates Z: 30 20.479 1.981 0.538 0.590 0.862 0.414 CB 1.329 30 residues pruned to eliminate duplicates Z: 34 20.207 1.933 0.697 0.507 0.848 0.455 CB 1.255 34 residues pruned to eliminate duplicates Z: 25 24.188 1.934 0.851 0.761 0.958 0.417 CB 1.141 25 residues pruned to eliminate duplicates Z: 40 26.036 1.936 0.663 0.638 0.897 0.410 CB 1.269 40 residues pruned to eliminate duplicates Z: 41 22.268 1.926 0.555 0.598 0.925 0.475 CB 1.158 41 residues pruned to eliminate duplicates Z: 24 26.405 2.134 0.751 0.623 0.913 0.478 CB 1.437 24 residues pruned to eliminate duplicates Z: 31 23.934 2.001 0.650 0.571 0.933 0.433 CB 1.324 31 residues pruned to eliminate duplicates Z: 40 24.468 1.953 0.665 0.623 0.872 0.385 CB 1.231 40 residues pruned to eliminate duplicates Z: 42 27.568 1.934 0.649 0.603 0.951 0.488 CB 1.286 42 residues pruned to eliminate duplicates Z: 38 27.070 1.975 0.674 0.651 0.919 0.514 CB 1.272 38 residues pruned to eliminate duplicates Z: 65 28.581 1.939 0.553 0.532 0.859 0.500 CB 1.338 65 residues pruned to eliminate duplicates Z: 32 20.290 2.007 0.590 0.621 0.871 0.419 CB 1.170 32 residues pruned to eliminate duplicates Z: 64 31.600 1.945 0.564 0.586 0.937 0.540 CB 1.287 64 residues pruned to eliminate duplicates Z: 60 23.602 1.895 0.545 0.456 0.898 0.508 CB 1.222 60 residues pruned to eliminate duplicates Z: 31 24.244 2.030 0.617 0.616 0.867 0.567 CB 1.395 31 residues pruned to eliminate duplicates Z: 43 24.373 1.963 0.610 0.579 0.857 0.571 CB 1.286 43 residues pruned to eliminate duplicates Z: 31 27.897 2.044 0.749 0.651 0.900 0.633 CB 1.375 31 residues pruned to eliminate duplicates Z: 40 18.788 1.897 0.526 0.490 0.846 0.385 CB 1.241 40 residues pruned to eliminate duplicates Z: 51 32.073 1.933 0.739 0.649 0.920 0.460 CB 1.277 51 residues pruned to eliminate duplicates Z: 75 30.496 1.883 0.591 0.552 0.905 0.554 CB 1.242 75 residues pruned to eliminate duplicates Z: 42 26.873 1.991 0.646 0.625 0.854 0.512 CB 1.334 61 residues pruned to eliminate duplicates Z: 59 32.305 1.904 0.591 0.616 0.948 0.603 CB 1.323 59 residues pruned to eliminate duplicates Z: 41 29.029 1.980 0.697 0.666 0.900 0.375 CB 1.302 41 residues pruned to eliminate duplicates Z: 49 31.891 1.971 0.756 0.666 0.917 0.417 CB 1.244 49 residues pruned to eliminate duplicates Z: 45 23.365 1.895 0.567 0.566 0.886 0.500 CB 1.255 45 residues pruned to eliminate duplicates Z: 48 29.113 1.970 0.576 0.656 0.915 0.553 CB 1.293 48 residues pruned to eliminate duplicates Z: 59 32.221 1.910 0.612 0.623 0.948 0.397 CB 1.289 59 residues pruned to eliminate duplicates Z: 17 10.106 1.832 0.479 0.461 0.750 0.188 CB 1.294 Z: 6 2.612 1.170 0.781 0.256 0.800 0.400 CA 0.927 6 residues pruned to eliminate duplicates Z: 55 27.026 1.911 0.671 0.570 0.852 0.519 CB 1.263 72 residues pruned to eliminate duplicates Z: 8 7.603 1.718 0.572 0.526 0.857 0.571 CB 1.210 Z: 14 21.642 2.029 0.531 0.865 0.923 0.615 CB 1.533 14 residues pruned to eliminate duplicates Z: 17 16.301 1.890 0.498 0.751 0.875 0.625 CB 1.315 17 residues pruned to eliminate duplicates Z: 14 19.173 1.991 0.287 0.870 1.000 0.769 CB 1.514 14 residues pruned to eliminate duplicates Z: 14 19.997 2.043 0.403 0.869 0.923 0.769 CB 1.531 14 residues pruned to eliminate duplicates Z: 12 21.199 2.070 0.508 0.833 1.000 1.000 CB 1.536 12 residues pruned to eliminate duplicates Z: 13 16.110 2.018 0.530 0.767 0.917 0.833 CB 1.297 13 residues pruned to eliminate duplicates Z: 14 19.485 1.828 0.586 0.879 1.000 0.846 CB 1.352 14 residues pruned to eliminate duplicates Z: 14 19.536 2.026 0.460 0.825 0.923 0.769 CB 1.498 14 residues pruned to eliminate duplicates Z: 12 19.337 2.072 0.299 0.826 1.000 0.727 CB 1.633 12 residues pruned to eliminate duplicates Z: 19 12.762 1.934 0.268 0.584 0.778 0.500 CB 1.455 19 residues pruned to eliminate duplicates Z: 15 22.561 1.983 0.665 0.885 0.929 0.571 CB 1.420 14 residues pruned to eliminate duplicates Z: 13 20.198 2.033 0.454 0.894 1.000 0.583 CB 1.415 13 residues pruned to eliminate duplicates Z: 6 4.852 1.826 0.410 0.394 0.800 0.600 CB 1.178 Z: 6 4.945 1.751 0.332 0.558 1.000 0.600 CB 0.896 5 residues pruned to eliminate duplicates Z: 6 2.605 1.403 0.678 0.314 0.800 0.400 O 0.760 6 residues pruned to eliminate duplicates Z: 17 10.780 1.914 0.374 0.352 0.812 0.500 O 1.481 17 residues pruned to eliminate duplicates Z: 16 13.140 1.884 0.450 0.392 0.933 0.400 O 1.492 16 residues pruned to eliminate duplicates Z: 24 8.120 1.703 0.196 0.240 0.826 0.304 O 1.360 24 residues pruned to eliminate duplicates Z: 11 8.973 1.929 0.442 0.388 0.800 0.500 CB 1.437 11 residues pruned to eliminate duplicates Z: 33 11.751 1.695 0.273 0.300 0.844 0.312 CB 1.426 22 residues pruned to eliminate duplicates Z: 6 3.901 1.918 0.567 0.215 0.600 0.000 N 1.353 6 residues pruned to eliminate duplicates Z: 18 9.166 1.702 0.533 0.303 0.824 0.294 O 1.288 18 residues pruned to eliminate duplicates Z: 26 20.155 1.969 0.641 0.499 0.920 0.440 CB 1.357 26 residues pruned to eliminate duplicates Z: 17 16.416 1.913 0.436 0.745 1.000 0.812 CB 1.199 17 residues pruned to eliminate duplicates Z: 28 20.485 1.881 0.501 0.600 1.000 0.741 CB 1.269 26 residues pruned to eliminate duplicates Z: 15 21.648 1.906 0.712 0.779 1.000 0.643 CB 1.386 15 residues pruned to eliminate duplicates Z: 29 18.471 1.882 0.593 0.546 0.929 0.571 CB 1.199 29 residues pruned to eliminate duplicates Z: 26 19.282 1.923 0.584 0.579 0.920 0.720 CB 1.276 26 residues pruned to eliminate duplicates Z: 15 20.609 2.004 0.634 0.762 1.000 0.643 CB 1.333 15 residues pruned to eliminate duplicates Z: 16 17.164 2.046 0.597 0.575 0.867 0.533 CB 1.456 16 residues pruned to eliminate duplicates Z: 20 15.635 1.924 0.423 0.550 0.947 0.579 CB 1.317 20 residues pruned to eliminate duplicates Z: 25 15.819 1.904 0.622 0.468 0.875 0.500 CB 1.235 26 residues pruned to eliminate duplicates Z: 15 17.767 1.867 0.511 0.856 0.929 0.714 CB 1.337 15 residues pruned to eliminate duplicates Z: 22 20.010 1.948 0.741 0.498 0.952 0.571 CB 1.356 21 residues pruned to eliminate duplicates Z: 12 16.539 2.035 0.890 0.844 0.818 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 20 17.337 1.966 0.574 0.548 0.947 0.737 CB 1.295 20 residues pruned to eliminate duplicates Z: 25 16.443 1.902 0.594 0.468 0.917 0.458 CB 1.248 25 residues pruned to eliminate duplicates Z: 24 18.667 1.885 0.739 0.521 0.870 0.565 CB 1.338 24 residues pruned to eliminate duplicates Z: 22 17.491 1.971 0.668 0.526 0.905 0.667 CB 1.251 22 residues pruned to eliminate duplicates Z: 23 16.459 1.901 0.806 0.460 0.864 0.318 CB 1.233 23 residues pruned to eliminate duplicates Z: 9 4.547 1.377 0.572 0.340 0.875 0.500 CB 1.011 9 residues pruned to eliminate duplicates Z: 24 14.954 1.859 0.624 0.448 0.957 0.478 CB 1.139 24 residues pruned to eliminate duplicates Z: 22 16.007 1.918 0.561 0.473 0.905 0.476 CB 1.325 22 residues pruned to eliminate duplicates Z: 22 16.189 1.935 0.627 0.466 0.905 0.524 CB 1.284 22 residues pruned to eliminate duplicates Z: 21 15.498 1.942 0.669 0.485 0.850 0.550 CB 1.277 21 residues pruned to eliminate duplicates Z: 18 11.258 1.752 0.260 0.477 0.941 0.706 CB 1.344 18 residues pruned to eliminate duplicates Z: 10 3.616 1.659 0.423 0.188 1.000 0.556 CB 0.742 10 residues pruned to eliminate duplicates Z: 10 4.078 1.554 0.476 0.216 0.889 0.333 CA 0.932 10 residues pruned to eliminate duplicates Z: 10 4.459 1.663 0.443 0.196 1.000 0.667 CB 0.890 10 residues pruned to eliminate duplicates Z: 25 13.629 1.749 0.439 0.504 0.875 0.625 CB 1.257 25 residues pruned to eliminate duplicates Z: 16 12.453 1.806 0.448 0.565 0.933 0.800 CB 1.237 16 residues pruned to eliminate duplicates Z: 24 14.907 1.762 0.461 0.471 0.913 0.652 CB 1.362 24 residues pruned to eliminate duplicates Z: 23 15.485 1.797 0.501 0.493 0.909 0.727 CB 1.356 24 residues pruned to eliminate duplicates Z: 10 7.323 1.612 0.409 0.591 0.889 0.444 CA 1.108 10 residues pruned to eliminate duplicates Z: 23 15.273 1.776 0.465 0.498 0.909 0.591 CB 1.379 23 residues pruned to eliminate duplicates Z: 23 16.342 1.770 0.536 0.476 0.955 0.727 CB 1.375 24 residues pruned to eliminate duplicates Z: 10 9.023 1.463 0.316 0.810 1.000 1.000 CB 1.193 10 residues pruned to eliminate duplicates Z: 18 11.278 1.724 0.464 0.467 0.882 0.588 CB 1.270 18 residues pruned to eliminate duplicates Z: 19 11.985 1.754 0.419 0.491 0.889 0.611 CB 1.288 19 residues pruned to eliminate duplicates Z: 23 13.449 1.769 0.527 0.483 0.818 0.545 CB 1.320 23 residues pruned to eliminate duplicates Z: 23 15.030 1.782 0.459 0.487 0.955 0.773 CB 1.307 23 residues pruned to eliminate duplicates Z: 24 17.079 1.796 0.536 0.497 0.957 0.565 CB 1.354 24 residues pruned to eliminate duplicates Z: 7 6.650 1.483 0.826 0.366 1.000 0.333 C 1.157 7 residues pruned to eliminate duplicates Z: 25 14.166 1.723 0.464 0.447 0.958 0.458 CB 1.263 25 residues pruned to eliminate duplicates Z: 6 8.401 1.682 0.910 0.266 1.000 0.200 CA 1.527 6 residues pruned to eliminate duplicates 638 residues left after pruning, divided into chains as follows: A: 26 B: 7 C: 13 D: 8 E: 19 F: 32 G: 27 H: 12 I: 14 J: 47 K: 43 L: 32 M: 21 N: 9 O: 63 P: 28 Q: 17 R: 12 S: 17 T: 103 U: 8 V: 15 W: 23 X: 28 Y: 14 CC for partial structure against native data = 31.29 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.466, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.533, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.635, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.645, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.654, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.659, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.661, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.663, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.663, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.663, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3177 peaks > 0.5 sigma used to seed fragment search Space for about 1084 unique residues taking solvent into account 783 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 21.033 1.970 0.449 0.894 1.000 0.857 CA 1.412 B: 23 31.397 1.993 0.817 0.918 0.955 0.727 CB 1.366 C: 14 22.328 1.979 0.567 0.875 1.000 0.769 CB 1.452 D: 17 17.046 1.833 0.360 0.911 0.938 0.812 CB 1.293 E: 14 12.722 1.764 0.630 0.855 0.923 0.846 CA 0.981 F: 14 20.396 2.052 0.509 0.932 1.000 0.846 CA 1.276 14 residues pruned to eliminate duplicates G: 6 4.719 1.825 0.313 0.527 0.800 0.600 CB 1.071 H: 25 27.374 1.935 0.656 0.865 0.958 0.833 CB 1.333 24 residues pruned to eliminate duplicates I: 14 19.357 1.888 0.661 0.890 1.000 0.769 CA 1.232 J: 17 29.887 2.072 0.855 0.919 1.000 0.938 CB 1.370 K: 13 15.397 1.900 0.522 0.876 1.000 0.917 CA 1.117 13 residues pruned to eliminate duplicates L: 13 23.997 2.016 0.651 0.868 1.000 0.750 CA 1.522 M: 17 7.721 1.810 0.342 0.452 0.750 0.375 CB 1.113 N: 24 24.736 1.849 0.494 0.897 0.957 0.913 CB 1.398 25 residues pruned to eliminate duplicates O: 12 18.317 2.104 0.428 0.875 0.909 0.636 CB 1.470 11 residues pruned to eliminate duplicates P: 17 24.727 2.028 0.899 0.910 0.875 0.688 CB 1.301 17 residues pruned to eliminate duplicates Q: 18 27.860 1.939 0.725 0.935 1.000 0.824 CB 1.408 R: 8 11.549 1.973 0.425 0.850 0.857 0.714 CB 1.341 S: 17 31.421 2.140 0.759 0.932 1.000 0.938 CA 1.457 17 residues pruned to eliminate duplicates T: 18 11.164 1.828 0.361 0.465 0.882 0.765 CB 1.278 U: 15 23.630 2.010 0.577 0.866 0.929 0.643 N 1.570 V: 8 10.251 2.011 0.360 0.893 1.000 0.714 CB 1.017 13 residues pruned to eliminate duplicates W: 14 23.000 2.013 0.676 0.877 1.000 0.769 CA 1.374 15 residues pruned to eliminate duplicates X: 13 20.686 2.093 0.310 0.931 1.000 1.000 CA 1.522 Y: 15 25.871 1.988 0.745 0.861 1.000 0.714 CA 1.464 Z: 18 25.907 2.017 0.494 0.917 1.000 0.824 CA 1.472 17 residues pruned to eliminate duplicates Z: 20 30.807 1.995 0.957 0.906 0.947 0.737 CB 1.358 20 residues pruned to eliminate duplicates Z: 7 3.816 1.670 0.115 0.513 0.667 0.500 CA 1.238 Z: 15 23.837 1.997 0.545 0.893 1.000 1.000 CA 1.483 15 residues pruned to eliminate duplicates Z: 15 25.460 2.041 0.633 0.902 0.929 0.714 CB 1.568 15 residues pruned to eliminate duplicates Z: 9 11.850 1.851 1.207 0.761 0.750 0.500 CB 1.084 8 residues pruned to eliminate duplicates Z: 13 20.751 1.957 0.771 0.907 1.000 0.750 CB 1.227 13 residues pruned to eliminate duplicates Z: 8 9.123 1.847 0.368 0.635 0.857 0.571 CB 1.402 Z: 14 19.320 1.975 0.399 0.912 1.000 0.923 CA 1.373 13 residues pruned to eliminate duplicates Z: 15 16.746 1.790 0.545 0.893 1.000 0.714 CB 1.161 Z: 14 18.595 1.996 0.355 0.888 1.000 0.769 CB 1.374 14 residues pruned to eliminate duplicates Z: 18 21.899 1.923 0.524 0.924 1.000 0.882 CB 1.273 18 residues pruned to eliminate duplicates Z: 17 18.952 1.775 0.567 0.924 1.000 0.812 CB 1.196 17 residues pruned to eliminate duplicates Z: 14 16.650 2.030 0.513 0.855 0.846 0.846 CB 1.311 Z: 14 12.652 1.806 0.530 0.855 0.846 0.846 CB 1.108 14 residues pruned to eliminate duplicates Z: 15 21.473 1.868 0.758 0.880 1.000 0.643 CB 1.267 14 residues pruned to eliminate duplicates Z: 12 19.488 1.725 1.021 0.887 0.909 0.727 CA 1.337 Z: 11 16.671 2.042 0.383 0.865 1.000 0.700 CA 1.367 11 residues pruned to eliminate duplicates Z: 6 3.753 1.515 1.947 0.496 0.800 0.800 CB 0.472 Z: 15 16.076 1.906 0.255 0.807 1.000 0.714 CB 1.374 15 residues pruned to eliminate duplicates Z: 23 29.097 2.000 0.520 0.913 1.000 0.818 CB 1.444 23 residues pruned to eliminate duplicates Z: 12 10.408 1.904 0.448 0.449 0.909 0.545 CA 1.320 Z: 8 13.451 1.995 0.724 0.830 0.857 0.714 CB 1.296 7 residues pruned to eliminate duplicates Z: 12 21.580 2.146 0.529 0.893 0.909 0.909 CB 1.566 12 residues pruned to eliminate duplicates Z: 14 23.411 1.964 0.643 0.855 1.000 0.462 CA 1.485 14 residues pruned to eliminate duplicates Z: 9 13.356 1.926 0.256 0.813 1.000 0.750 CB 1.487 8 residues pruned to eliminate duplicates Z: 13 19.774 1.983 0.373 0.872 1.000 0.667 CA 1.528 14 residues pruned to eliminate duplicates Z: 15 20.262 2.158 0.315 0.784 0.929 0.714 CA 1.601 15 residues pruned to eliminate duplicates Z: 6 7.856 1.904 0.379 0.571 1.000 0.600 CB 1.250 Z: 8 13.307 1.999 0.534 0.762 1.000 0.714 CB 1.300 8 residues pruned to eliminate duplicates Z: 15 23.034 1.942 0.712 0.839 0.929 0.714 CB 1.489 17 residues pruned to eliminate duplicates Z: 16 14.720 1.725 0.511 0.884 0.867 0.667 CB 1.216 16 residues pruned to eliminate duplicates Z: 14 22.163 2.068 0.607 0.848 1.000 0.692 CA 1.372 14 residues pruned to eliminate duplicates Z: 18 19.672 1.800 0.387 0.901 1.000 0.765 CB 1.364 16 residues pruned to eliminate duplicates Z: 14 15.541 1.931 0.274 0.870 0.923 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 15 20.189 1.885 0.632 0.891 1.000 0.857 CB 1.261 15 residues pruned to eliminate duplicates Z: 14 22.582 1.975 0.837 0.836 0.923 0.538 CA 1.399 14 residues pruned to eliminate duplicates Z: 14 24.170 2.036 0.523 0.923 1.000 0.923 CA 1.519 14 residues pruned to eliminate duplicates Z: 22 15.777 1.982 0.455 0.576 0.810 0.571 CB 1.370 20 residues pruned to eliminate duplicates Z: 14 23.538 2.018 0.497 0.896 1.000 0.846 CB 1.547 14 residues pruned to eliminate duplicates Z: 18 30.450 1.991 0.862 0.938 1.000 0.882 CA 1.386 18 residues pruned to eliminate duplicates Z: 10 10.375 1.758 0.778 0.816 1.000 0.667 CA 0.840 Z: 18 17.238 1.795 0.276 0.908 1.000 0.765 CB 1.297 18 residues pruned to eliminate duplicates Z: 15 20.915 1.817 0.672 0.907 0.929 0.786 CA 1.408 Z: 20 36.669 2.144 0.881 0.927 0.947 0.842 CB 1.543 22 residues pruned to eliminate duplicates Z: 11 19.230 2.075 0.509 0.896 1.000 0.900 CA 1.391 11 residues pruned to eliminate duplicates Z: 17 22.138 1.930 0.543 0.917 1.000 0.938 CB 1.311 17 residues pruned to eliminate duplicates Z: 14 22.554 1.970 0.600 0.883 1.000 0.846 CA 1.434 14 residues pruned to eliminate duplicates Z: 15 18.380 1.835 0.663 0.903 1.000 0.857 CA 1.148 15 residues pruned to eliminate duplicates Z: 13 22.419 2.016 0.677 0.884 1.000 0.750 CA 1.383 14 residues pruned to eliminate duplicates Z: 14 21.433 1.976 0.727 0.870 0.923 0.692 CA 1.378 14 residues pruned to eliminate duplicates Z: 16 19.719 1.776 0.705 0.880 0.933 0.800 CB 1.306 16 residues pruned to eliminate duplicates Z: 7 8.925 1.893 0.274 0.633 1.000 0.833 CB 1.332 7 residues pruned to eliminate duplicates Z: 12 12.758 1.714 0.574 0.901 1.000 0.818 CB 1.017 11 residues pruned to eliminate duplicates Z: 18 30.653 2.016 0.942 0.934 1.000 0.588 CB 1.324 17 residues pruned to eliminate duplicates Z: 14 16.227 1.945 0.559 0.864 1.000 0.692 CA 1.088 14 residues pruned to eliminate duplicates Z: 13 19.758 1.831 0.673 0.836 1.000 0.917 CA 1.393 13 residues pruned to eliminate duplicates Z: 16 20.608 1.814 0.608 0.928 1.000 0.800 CA 1.278 16 residues pruned to eliminate duplicates Z: 6 6.843 2.122 0.098 0.456 0.800 0.600 CB 1.717 6 residues pruned to eliminate duplicates Z: 15 13.795 1.710 0.665 0.891 1.000 0.929 CB 0.931 7 residues pruned to eliminate duplicates Z: 16 23.669 1.845 0.722 0.897 1.000 0.667 CB 1.377 15 residues pruned to eliminate duplicates Z: 16 15.319 1.732 0.319 0.828 0.933 0.867 CB 1.397 6 residues pruned to eliminate duplicates Z: 16 23.113 1.777 0.815 0.887 1.000 0.733 CA 1.334 15 residues pruned to eliminate duplicates Z: 13 17.786 2.035 0.625 0.874 0.917 0.750 CA 1.233 13 residues pruned to eliminate duplicates Z: 14 7.716 1.902 0.296 0.381 0.692 0.462 CB 1.423 Z: 15 16.770 1.889 0.287 0.827 1.000 0.571 CB 1.390 15 residues pruned to eliminate duplicates Z: 14 15.058 1.876 0.618 0.879 0.923 0.846 CA 1.081 14 residues pruned to eliminate duplicates Z: 11 14.572 1.748 0.590 0.839 1.000 0.700 CA 1.239 10 residues pruned to eliminate duplicates Z: 17 22.935 1.985 0.680 0.897 0.875 0.812 CB 1.406 17 residues pruned to eliminate duplicates Z: 15 19.664 2.006 0.545 0.839 0.857 0.714 CB 1.478 15 residues pruned to eliminate duplicates Z: 13 16.053 1.709 0.950 0.879 0.833 0.500 CB 1.210 13 residues pruned to eliminate duplicates Z: 9 7.173 1.840 0.108 0.616 0.875 0.625 CB 1.274 9 residues pruned to eliminate duplicates Z: 12 21.404 1.954 0.620 0.889 0.909 0.727 N 1.614 12 residues pruned to eliminate duplicates Z: 18 14.297 1.803 0.302 0.738 0.941 0.765 CB 1.268 18 residues pruned to eliminate duplicates Z: 12 16.335 1.831 0.339 0.899 1.000 1.000 CA 1.436 12 residues pruned to eliminate duplicates Z: 13 21.885 2.016 0.541 0.878 1.000 0.833 CA 1.475 13 residues pruned to eliminate duplicates Z: 14 23.088 1.885 0.956 0.828 1.000 0.769 CA 1.308 13 residues pruned to eliminate duplicates Z: 14 27.404 2.005 0.969 0.920 1.000 0.538 CA 1.356 14 residues pruned to eliminate duplicates Z: 16 24.048 1.849 0.793 0.934 1.000 0.800 CA 1.306 16 residues pruned to eliminate duplicates Z: 15 23.485 2.006 0.561 0.872 1.000 0.786 CA 1.461 15 residues pruned to eliminate duplicates Z: 15 26.332 1.996 0.656 0.905 1.000 0.786 CA 1.515 15 residues pruned to eliminate duplicates Z: 16 20.209 1.862 0.634 0.882 1.000 0.800 CA 1.240 15 residues pruned to eliminate duplicates Z: 14 25.023 2.010 0.736 0.837 1.000 0.462 CA 1.488 14 residues pruned to eliminate duplicates Z: 13 21.960 2.073 0.378 0.906 1.000 1.000 CB 1.579 13 residues pruned to eliminate duplicates Z: 10 17.565 1.845 0.604 0.853 1.000 0.444 N 1.462 14 residues pruned to eliminate duplicates Z: 16 9.554 1.716 0.474 0.391 0.867 0.533 CB 1.263 Z: 15 21.212 1.957 0.392 0.903 1.000 0.786 CB 1.484 15 residues pruned to eliminate duplicates Z: 15 14.197 1.740 0.394 0.849 1.000 0.857 CB 1.159 15 residues pruned to eliminate duplicates Z: 19 18.776 1.884 0.392 0.873 0.944 0.833 CB 1.301 19 residues pruned to eliminate duplicates Z: 18 25.203 1.850 0.676 0.909 1.000 0.647 CB 1.399 18 residues pruned to eliminate duplicates Z: 10 15.866 2.020 0.294 0.845 1.000 0.889 CA 1.504 10 residues pruned to eliminate duplicates Z: 15 21.972 1.966 0.548 0.810 1.000 0.500 CB 1.473 14 residues pruned to eliminate duplicates Z: 15 23.673 1.880 0.735 0.833 1.000 0.643 CB 1.454 15 residues pruned to eliminate duplicates Z: 13 21.206 1.991 0.508 0.906 0.917 0.750 CA 1.582 13 residues pruned to eliminate duplicates Z: 14 23.991 2.014 0.524 0.934 1.000 0.769 CB 1.512 14 residues pruned to eliminate duplicates Z: 21 30.975 2.083 0.740 0.912 0.950 0.800 CB 1.424 22 residues pruned to eliminate duplicates Z: 23 25.395 1.990 0.433 0.917 1.000 0.864 CB 1.340 23 residues pruned to eliminate duplicates Z: 13 16.774 1.960 0.430 0.859 1.000 0.833 CA 1.271 13 residues pruned to eliminate duplicates Z: 15 22.376 1.925 0.522 0.891 1.000 1.000 CB 1.468 15 residues pruned to eliminate duplicates Z: 14 13.257 1.773 0.921 0.928 0.846 0.462 CB 0.893 14 residues pruned to eliminate duplicates Z: 6 8.126 1.721 0.334 0.751 1.000 0.800 CA 1.266 6 residues pruned to eliminate duplicates Z: 17 19.540 1.784 0.521 0.918 1.000 0.750 CB 1.270 17 residues pruned to eliminate duplicates Z: 6 4.809 1.483 0.536 0.543 0.800 0.600 CB 1.131 Z: 17 20.650 1.684 1.022 0.908 1.000 0.625 CA 1.077 15 residues pruned to eliminate duplicates Z: 6 8.719 1.882 0.508 0.843 1.000 0.800 CB 1.024 6 residues pruned to eliminate duplicates Z: 17 21.218 2.051 0.310 0.882 1.000 0.875 CA 1.429 17 residues pruned to eliminate duplicates Z: 15 20.091 1.914 0.665 0.889 0.929 0.857 CB 1.306 15 residues pruned to eliminate duplicates Z: 15 23.498 2.016 0.561 0.894 1.000 0.643 CA 1.432 15 residues pruned to eliminate duplicates Z: 13 18.995 2.021 0.297 0.923 1.000 0.833 CA 1.469 13 residues pruned to eliminate duplicates Z: 21 8.746 1.760 0.368 0.278 0.700 0.500 CA 1.491 16 residues pruned to eliminate duplicates Z: 12 16.119 1.895 0.536 0.817 0.909 0.727 N 1.395 12 residues pruned to eliminate duplicates Z: 17 18.976 1.730 0.622 0.884 0.875 0.688 CB 1.395 15 residues pruned to eliminate duplicates Z: 6 2.570 1.563 0.242 0.459 0.800 0.400 CA 0.772 Z: 6 6.701 1.621 0.334 0.861 1.000 1.000 CB 1.018 Z: 8 8.176 1.714 0.583 0.788 0.714 0.714 N 1.238 Z: 15 21.725 1.983 0.525 0.874 1.000 0.857 CA 1.397 15 residues pruned to eliminate duplicates Z: 16 17.344 1.911 0.323 0.851 0.867 0.467 CB 1.513 16 residues pruned to eliminate duplicates Z: 14 19.328 1.970 0.571 0.852 0.923 0.769 CB 1.388 15 residues pruned to eliminate duplicates Z: 14 18.204 1.693 0.608 0.915 1.000 0.385 CB 1.311 11 residues pruned to eliminate duplicates Z: 14 21.791 2.043 0.467 0.870 0.923 0.692 CB 1.595 14 residues pruned to eliminate duplicates Z: 18 22.944 1.913 0.827 0.830 0.941 0.706 CA 1.271 18 residues pruned to eliminate duplicates Z: 15 16.495 1.755 0.378 0.872 1.000 0.857 CB 1.329 14 residues pruned to eliminate duplicates Z: 11 16.086 1.660 0.830 0.872 1.000 0.800 CA 1.220 11 residues pruned to eliminate duplicates Z: 16 19.512 1.712 0.593 0.863 1.000 0.733 CB 1.355 16 residues pruned to eliminate duplicates Z: 6 4.268 1.783 0.179 0.347 0.800 0.600 CB 1.340 Z: 15 18.580 1.970 0.181 0.950 1.000 1.000 CA 1.472 15 residues pruned to eliminate duplicates Z: 17 9.083 1.797 0.191 0.443 0.812 0.438 CB 1.385 17 residues pruned to eliminate duplicates Z: 18 26.617 1.966 0.748 0.919 1.000 0.824 CB 1.324 18 residues pruned to eliminate duplicates Z: 28 13.681 1.767 0.378 0.506 0.889 0.741 CB 1.210 18 residues pruned to eliminate duplicates Z: 22 14.497 1.701 0.591 0.518 0.905 0.429 CB 1.269 22 residues pruned to eliminate duplicates Z: 16 14.521 1.865 0.479 0.478 0.933 0.533 CB 1.489 22 residues pruned to eliminate duplicates Z: 15 14.503 1.818 0.285 0.853 0.929 0.714 CA 1.320 15 residues pruned to eliminate duplicates Z: 13 13.276 1.844 0.218 0.914 1.000 1.000 CA 1.207 13 residues pruned to eliminate duplicates Z: 16 17.805 1.903 0.631 0.923 1.000 0.933 CB 1.041 16 residues pruned to eliminate duplicates Z: 16 16.544 1.891 0.351 0.924 1.000 0.867 CA 1.174 16 residues pruned to eliminate duplicates Z: 11 12.563 1.783 0.595 0.915 1.000 0.900 CA 0.987 11 residues pruned to eliminate duplicates Z: 6 8.953 1.959 0.760 0.802 0.800 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 6 6.277 1.801 0.325 0.703 1.000 0.800 CB 0.977 Z: 14 27.252 2.031 0.756 0.943 1.000 0.692 CB 1.470 15 residues pruned to eliminate duplicates Z: 6 6.392 1.705 0.497 0.625 0.800 0.600 O 1.244 Z: 12 6.111 1.853 0.409 0.347 0.818 0.455 CB 1.018 Z: 7 5.060 1.808 0.258 0.309 0.833 0.833 CB 1.347 Z: 6 3.682 1.651 1.233 0.297 0.400 0.400 N 1.400 Z: 7 2.271 1.522 0.101 0.362 0.667 0.333 CB 0.963 Z: 8 8.392 1.496 0.365 0.827 1.000 0.429 CA 1.170 Z: 17 26.024 2.039 0.776 0.920 1.000 0.875 CA 1.265 17 residues pruned to eliminate duplicates Z: 7 4.672 1.445 0.372 0.819 1.000 0.667 CB 0.729 7 residues pruned to eliminate duplicates Z: 12 20.165 1.976 0.717 0.884 0.909 0.818 CB 1.424 12 residues pruned to eliminate duplicates Z: 9 7.691 1.802 0.190 0.580 0.875 0.500 CB 1.342 9 residues pruned to eliminate duplicates Z: 18 18.054 1.886 0.390 0.889 0.941 0.706 CB 1.278 18 residues pruned to eliminate duplicates Z: 9 9.467 1.606 0.576 0.814 0.875 0.625 CB 1.150 11 residues pruned to eliminate duplicates Z: 14 19.068 1.933 0.318 0.917 1.000 1.000 CA 1.466 14 residues pruned to eliminate duplicates Z: 10 3.726 1.562 0.578 0.393 0.667 0.556 CB 0.847 Z: 9 8.727 1.683 0.751 0.482 0.875 0.500 CB 1.219 Z: 7 4.119 1.469 0.366 0.636 0.833 0.500 CB 0.884 Z: 22 14.066 1.779 0.482 0.436 0.905 0.571 CB 1.375 16 residues pruned to eliminate duplicates Z: 8 7.908 1.874 0.438 0.616 0.857 0.571 CA 1.160 8 residues pruned to eliminate duplicates Z: 8 2.701 1.674 0.258 0.325 0.571 0.571 CB 1.028 8 residues pruned to eliminate duplicates Z: 8 6.031 1.780 0.464 0.313 1.000 0.286 CB 1.076 11 residues pruned to eliminate duplicates Z: 17 20.938 1.705 0.681 0.868 1.000 0.500 CA 1.335 17 residues pruned to eliminate duplicates Z: 22 24.944 2.004 0.380 0.759 1.000 0.952 CA 1.563 14 residues pruned to eliminate duplicates Z: 14 21.068 2.087 0.355 0.865 0.923 0.769 CB 1.640 14 residues pruned to eliminate duplicates Z: 18 25.585 1.979 0.954 0.916 1.000 0.471 CB 1.133 18 residues pruned to eliminate duplicates Z: 16 21.445 1.853 0.656 0.867 1.000 0.667 CB 1.320 16 residues pruned to eliminate duplicates Z: 6 4.103 1.630 0.294 0.312 0.800 0.600 O 1.340 Z: 13 16.432 1.793 0.774 0.891 1.000 0.750 CB 1.072 20 residues pruned to eliminate duplicates Z: 13 8.935 1.872 0.541 0.418 0.917 0.333 CB 1.063 5 residues pruned to eliminate duplicates Z: 8 9.721 1.653 0.316 0.856 1.000 0.714 CA 1.245 8 residues pruned to eliminate duplicates Z: 16 26.357 2.015 0.911 0.884 0.933 0.733 CB 1.368 16 residues pruned to eliminate duplicates Z: 14 6.608 1.764 0.346 0.486 0.846 0.385 CB 0.925 19 residues pruned to eliminate duplicates Z: 31 20.357 1.988 0.469 0.564 0.933 0.567 CB 1.281 22 residues pruned to eliminate duplicates Z: 9 9.578 1.563 0.610 0.829 0.875 0.500 CA 1.157 9 residues pruned to eliminate duplicates Z: 19 24.909 1.940 0.823 0.869 0.944 0.611 CB 1.284 19 residues pruned to eliminate duplicates Z: 15 17.354 1.865 0.786 0.814 0.857 0.571 CB 1.237 15 residues pruned to eliminate duplicates Z: 14 15.900 1.861 0.549 0.848 0.923 0.692 CB 1.229 14 residues pruned to eliminate duplicates Z: 46 24.665 2.018 0.493 0.515 0.889 0.511 CB 1.353 45 residues pruned to eliminate duplicates Z: 23 29.813 2.005 1.115 0.912 0.818 0.409 CB 1.297 23 residues pruned to eliminate duplicates Z: 14 22.751 2.023 0.558 0.854 1.000 0.615 CB 1.479 14 residues pruned to eliminate duplicates Z: 17 11.242 1.764 0.291 0.505 1.000 0.562 CB 1.229 5 residues pruned to eliminate duplicates Z: 6 2.332 1.267 0.175 0.615 1.000 0.400 O 0.629 Z: 7 5.020 1.377 0.580 0.636 1.000 0.333 CB 0.830 7 residues pruned to eliminate duplicates Z: 13 16.205 1.706 0.787 0.922 0.917 0.500 CB 1.177 13 residues pruned to eliminate duplicates Z: 9 6.148 1.699 0.242 0.430 0.875 0.500 CB 1.266 9 residues pruned to eliminate duplicates Z: 13 8.439 1.761 0.258 0.489 0.833 0.667 CB 1.333 Z: 9 8.810 1.625 0.616 0.815 1.000 0.750 CB 0.902 8 residues pruned to eliminate duplicates Z: 18 10.652 1.769 0.532 0.360 0.941 0.412 CB 1.178 14 residues pruned to eliminate duplicates Z: 19 23.638 1.945 0.791 0.884 0.944 0.778 CB 1.224 19 residues pruned to eliminate duplicates Z: 19 19.912 1.875 0.552 0.884 0.944 0.944 CB 1.234 19 residues pruned to eliminate duplicates Z: 21 19.489 1.933 0.464 0.731 0.950 0.750 CB 1.317 16 residues pruned to eliminate duplicates Z: 14 25.334 2.068 0.729 0.887 1.000 0.923 CB 1.417 14 residues pruned to eliminate duplicates Z: 14 6.307 1.973 0.180 0.158 0.846 0.462 CB 1.350 15 residues pruned to eliminate duplicates Z: 15 15.682 1.900 0.562 0.781 0.857 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 10 12.742 2.003 0.691 0.636 0.889 0.778 CB 1.242 10 residues pruned to eliminate duplicates Z: 15 19.230 2.004 0.349 0.902 1.000 0.929 CA 1.357 15 residues pruned to eliminate duplicates Z: 12 9.030 1.826 0.586 0.399 0.909 0.545 CB 1.150 12 residues pruned to eliminate duplicates Z: 13 31.342 2.056 1.112 0.937 1.000 0.500 CB 1.449 21 residues pruned to eliminate duplicates Z: 16 17.446 1.750 0.603 0.872 1.000 0.933 CA 1.170 16 residues pruned to eliminate duplicates Z: 6 9.756 1.959 0.157 0.859 1.000 1.000 CA 1.416 6 residues pruned to eliminate duplicates Z: 24 23.439 1.960 0.339 0.923 1.000 0.913 CB 1.309 21 residues pruned to eliminate duplicates Z: 12 6.219 1.770 0.410 0.253 0.818 0.545 CB 1.220 12 residues pruned to eliminate duplicates Z: 11 13.493 1.929 0.297 0.913 1.000 0.900 CA 1.207 11 residues pruned to eliminate duplicates Z: 12 6.776 1.663 0.983 0.545 0.818 0.455 CB 0.725 11 residues pruned to eliminate duplicates Z: 14 10.786 1.981 0.699 0.375 0.769 0.538 CB 1.319 12 residues pruned to eliminate duplicates Z: 18 11.218 1.795 0.374 0.504 0.882 0.588 CB 1.246 18 residues pruned to eliminate duplicates Z: 7 4.465 1.764 -0.051 0.381 0.833 0.333 CB 1.484 Z: 14 27.922 1.971 0.954 0.933 1.000 0.615 CB 1.403 14 residues pruned to eliminate duplicates Z: 21 12.476 1.928 0.442 0.512 0.850 0.650 CB 1.167 12 residues pruned to eliminate duplicates Z: 14 23.545 1.976 0.590 0.907 1.000 0.769 CA 1.478 14 residues pruned to eliminate duplicates Z: 6 8.458 1.798 0.686 0.568 1.000 0.600 CA 1.168 6 residues pruned to eliminate duplicates Z: 11 5.992 1.726 0.345 0.556 0.800 0.400 CB 0.967 Z: 14 27.621 1.994 0.835 0.930 1.000 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 6 2.797 1.353 0.853 0.299 0.600 0.400 N 1.041 Z: 9 7.712 1.841 0.288 0.540 0.750 0.625 CA 1.474 9 residues pruned to eliminate duplicates Z: 14 22.759 1.951 0.762 0.840 1.000 0.692 CB 1.370 14 residues pruned to eliminate duplicates Z: 10 11.463 1.778 0.463 0.563 1.000 0.667 O 1.382 10 residues pruned to eliminate duplicates Z: 16 20.170 1.699 0.780 0.867 0.933 0.933 CA 1.350 16 residues pruned to eliminate duplicates Z: 8 4.004 1.303 0.510 0.649 0.857 0.429 N 0.781 Z: 8 5.393 1.689 0.375 0.586 1.000 0.857 CB 0.808 8 residues pruned to eliminate duplicates Z: 31 25.131 1.931 0.549 0.590 1.000 0.667 CB 1.408 31 residues pruned to eliminate duplicates Z: 18 26.837 1.931 0.899 0.867 0.941 0.706 CB 1.380 18 residues pruned to eliminate duplicates Z: 12 14.677 1.596 0.658 0.907 0.909 0.909 CA 1.308 12 residues pruned to eliminate duplicates Z: 7 2.951 1.317 0.326 0.241 1.000 0.833 C 0.930 Z: 11 4.155 1.980 0.303 0.111 0.700 0.200 CB 1.192 11 residues pruned to eliminate duplicates Z: 10 10.469 1.695 0.368 0.816 0.889 0.556 CA 1.286 10 residues pruned to eliminate duplicates Z: 9 7.359 1.849 -0.144 0.800 0.875 0.875 CB 1.445 9 residues pruned to eliminate duplicates Z: 8 12.298 1.774 0.558 0.686 1.000 0.571 CB 1.418 8 residues pruned to eliminate duplicates Z: 16 17.374 1.756 0.470 0.924 1.000 0.867 CB 1.221 16 residues pruned to eliminate duplicates Z: 14 8.804 1.794 0.310 0.377 0.923 0.538 CB 1.285 14 residues pruned to eliminate duplicates Z: 15 14.840 1.933 0.376 0.591 1.000 0.429 CB 1.367 15 residues pruned to eliminate duplicates Z: 6 4.377 1.531 0.316 0.800 0.800 0.800 CB 0.933 Z: 12 6.850 1.677 0.296 0.453 0.909 0.636 CB 1.096 8 residues pruned to eliminate duplicates Z: 7 7.045 1.848 0.520 0.509 0.833 0.500 CB 1.218 Z: 6 5.697 1.641 0.670 0.617 1.000 0.600 N 0.833 6 residues pruned to eliminate duplicates Z: 19 21.460 1.826 0.932 0.872 0.889 0.611 CB 1.176 19 residues pruned to eliminate duplicates Z: 16 19.624 1.796 0.984 0.833 1.000 0.733 CB 1.067 15 residues pruned to eliminate duplicates Z: 6 3.803 1.467 0.358 0.405 0.800 0.400 CA 1.179 Z: 8 4.876 1.540 0.535 0.334 0.857 0.571 CB 1.091 8 residues pruned to eliminate duplicates Z: 14 19.516 1.803 0.814 0.789 0.923 0.385 N 1.391 21 residues pruned to eliminate duplicates Z: 11 4.048 1.516 0.136 0.492 0.900 0.500 CB 0.832 Z: 7 2.491 1.791 0.347 0.374 0.667 0.500 CB 0.724 Z: 9 6.009 1.603 0.398 0.479 0.875 0.750 O 1.107 Z: 7 6.854 1.788 0.329 0.647 1.000 0.833 CB 1.026 Z: 15 12.401 1.918 0.342 0.451 0.929 0.643 CA 1.458 23 residues pruned to eliminate duplicates Z: 13 13.974 1.703 0.462 0.795 1.000 0.667 N 1.251 13 residues pruned to eliminate duplicates Z: 13 17.478 2.027 0.232 0.913 1.000 0.917 CA 1.430 13 residues pruned to eliminate duplicates Z: 7 4.082 1.493 0.881 0.279 0.667 0.333 CA 1.142 Z: 31 26.811 1.988 0.619 0.604 0.967 0.667 CB 1.426 31 residues pruned to eliminate duplicates Z: 17 22.666 1.952 0.660 0.793 0.938 0.625 CB 1.443 17 residues pruned to eliminate duplicates Z: 14 24.519 2.023 0.631 0.912 1.000 0.846 CB 1.460 14 residues pruned to eliminate duplicates Z: 24 36.739 2.005 0.982 0.943 0.957 0.783 CB 1.397 24 residues pruned to eliminate duplicates Z: 8 5.505 1.571 0.198 0.650 0.857 0.714 CB 1.121 Z: 12 18.042 1.930 0.513 0.830 1.000 0.636 CA 1.401 12 residues pruned to eliminate duplicates Z: 28 18.033 1.938 0.416 0.504 0.926 0.556 CB 1.360 25 residues pruned to eliminate duplicates Z: 11 5.621 1.704 0.387 0.507 0.800 0.500 CB 0.934 Z: 13 6.400 1.821 0.142 0.400 0.917 0.583 CB 1.077 13 residues pruned to eliminate duplicates Z: 14 20.967 1.913 1.021 0.752 0.846 0.692 CB 1.420 14 residues pruned to eliminate duplicates Z: 13 5.273 1.632 0.484 0.322 0.750 0.417 N 1.019 13 residues pruned to eliminate duplicates Z: 14 18.161 1.724 0.743 0.855 0.923 0.769 CA 1.339 14 residues pruned to eliminate duplicates Z: 15 14.619 1.662 0.667 0.859 0.857 0.786 CA 1.211 15 residues pruned to eliminate duplicates Z: 15 6.578 1.852 0.186 0.407 0.929 0.500 CB 0.950 Z: 14 15.572 1.841 0.344 0.866 0.923 0.769 CB 1.385 14 residues pruned to eliminate duplicates Z: 15 15.981 1.665 0.644 0.899 0.929 0.571 CB 1.201 15 residues pruned to eliminate duplicates Z: 7 7.416 1.633 0.209 0.829 1.000 0.500 CB 1.154 6 residues pruned to eliminate duplicates Z: 16 26.229 1.867 0.792 0.885 1.000 0.733 CB 1.461 16 residues pruned to eliminate duplicates Z: 23 34.239 2.030 0.848 0.924 1.000 0.727 CB 1.367 23 residues pruned to eliminate duplicates Z: 31 18.862 1.961 0.690 0.419 0.900 0.433 CB 1.257 31 residues pruned to eliminate duplicates Z: 6 7.406 1.831 0.207 0.746 1.000 1.000 CB 1.203 6 residues pruned to eliminate duplicates Z: 14 23.967 1.932 0.743 0.911 1.000 0.538 CA 1.399 14 residues pruned to eliminate duplicates Z: 7 2.646 1.368 0.165 0.477 0.833 0.667 CB 0.833 7 residues pruned to eliminate duplicates Z: 15 15.475 1.717 0.647 0.844 0.929 0.571 CB 1.172 15 residues pruned to eliminate duplicates Z: 25 20.887 1.950 0.395 0.616 0.958 0.792 CB 1.465 25 residues pruned to eliminate duplicates Z: 12 4.068 1.504 0.387 0.344 0.818 0.364 N 0.851 Z: 7 2.539 1.533 -0.153 0.297 0.833 0.667 CB 1.203 Z: 28 10.950 1.801 0.228 0.413 0.889 0.519 CB 1.174 28 residues pruned to eliminate duplicates Z: 6 6.561 2.014 0.242 0.626 1.000 0.800 CB 1.042 Z: 6 4.032 1.846 -0.293 0.733 1.000 0.600 CB 1.120 Z: 7 6.599 1.578 0.380 0.553 1.000 0.833 CA 1.175 Z: 16 23.074 2.017 0.694 0.887 1.000 0.867 CA 1.256 16 residues pruned to eliminate duplicates Z: 16 17.560 1.782 0.815 0.897 0.933 0.867 CB 1.075 17 residues pruned to eliminate duplicates Z: 6 4.845 1.219 0.559 0.609 1.000 0.600 CA 1.028 6 residues pruned to eliminate duplicates Z: 7 6.300 1.921 0.284 0.537 1.000 1.000 CB 1.005 7 residues pruned to eliminate duplicates Z: 18 16.806 1.901 0.296 0.901 0.941 0.765 CB 1.255 18 residues pruned to eliminate duplicates Z: 13 11.038 1.538 0.876 0.705 0.917 0.667 CB 1.000 Z: 7 6.503 1.845 0.492 0.389 0.833 0.500 CB 1.302 7 residues pruned to eliminate duplicates Z: 7 4.859 1.749 0.241 0.367 0.833 0.333 N 1.266 Z: 8 8.783 1.786 0.577 0.756 0.714 0.714 CB 1.314 8 residues pruned to eliminate duplicates Z: 19 10.755 1.766 0.232 0.560 0.944 0.833 CB 1.164 18 residues pruned to eliminate duplicates Z: 13 20.881 1.950 0.597 0.873 1.000 0.667 CB 1.410 13 residues pruned to eliminate duplicates Z: 10 8.384 1.484 0.533 0.825 0.889 0.667 CB 1.043 10 residues pruned to eliminate duplicates Z: 14 15.032 1.983 0.596 0.800 0.846 0.692 CB 1.198 14 residues pruned to eliminate duplicates Z: 14 18.084 1.970 0.240 0.875 1.000 0.615 CB 1.493 14 residues pruned to eliminate duplicates 7 1.964 1.302 0.518 0.356 0.667 0.333 CB 0.711 ? Z: 14 4.798 1.606 0.538 0.208 0.692 0.538 CB 1.099 14 residues pruned to eliminate duplicates Z: 13 17.617 1.704 1.031 0.887 0.917 0.417 CB 1.156 13 residues pruned to eliminate duplicates Z: 11 11.968 1.744 0.688 0.585 0.800 0.700 N 1.481 11 residues pruned to eliminate duplicates Z: 18 5.986 1.526 0.346 0.365 0.765 0.529 CB 1.069 18 residues pruned to eliminate duplicates Z: 7 3.777 1.532 0.713 0.209 1.000 0.500 CB 0.829 Z: 18 21.505 1.816 0.585 0.901 0.941 0.765 CB 1.374 18 residues pruned to eliminate duplicates Z: 29 11.220 1.687 0.413 0.373 0.893 0.393 CB 1.142 16 residues pruned to eliminate duplicates Z: 14 26.048 1.981 0.729 0.930 1.000 0.692 CA 1.475 14 residues pruned to eliminate duplicates Z: 7 9.563 1.721 0.767 0.617 1.000 0.500 N 1.149 7 residues pruned to eliminate duplicates Z: 15 11.400 1.737 0.382 0.438 1.000 0.643 CB 1.353 Z: 9 8.267 1.689 0.391 0.713 1.000 1.000 CB 1.025 8 residues pruned to eliminate duplicates Z: 11 9.024 1.646 0.679 0.886 1.000 0.800 CB 0.744 Z: 31 17.893 1.987 0.327 0.444 0.933 0.500 CB 1.406 31 residues pruned to eliminate duplicates Z: 7 7.330 1.758 0.538 0.710 0.833 0.333 CB 1.098 7 residues pruned to eliminate duplicates Z: 8 8.082 1.604 0.144 0.823 1.000 1.000 CA 1.258 8 residues pruned to eliminate duplicates Z: 16 18.570 1.959 0.486 0.710 1.000 0.733 CA 1.361 15 residues pruned to eliminate duplicates 8 1.872 1.123 0.910 0.345 0.571 0.429 CB 0.683 ? 6 1.135 1.398 -0.384 0.617 0.800 0.600 CB 0.660 ? Z: 15 18.656 1.734 0.839 0.869 0.857 0.714 CA 1.333 15 residues pruned to eliminate duplicates Z: 6 3.191 1.469 -0.164 0.795 0.800 0.600 CB 1.122 Z: 9 9.555 1.615 0.518 0.877 1.000 1.000 CB 1.000 9 residues pruned to eliminate duplicates Z: 11 4.023 1.579 0.301 0.337 0.800 0.500 CB 0.926 Z: 8 8.418 1.708 0.674 0.756 1.000 0.714 CA 0.886 8 residues pruned to eliminate duplicates Z: 11 3.867 1.328 0.893 0.266 0.600 0.300 N 1.059 Z: 13 6.888 1.650 0.346 0.382 0.833 0.583 CB 1.217 12 residues pruned to eliminate duplicates 6 1.731 1.557 0.169 0.100 0.600 0.400 N 1.181 ? Z: 15 19.434 1.824 0.627 0.931 1.000 0.714 CB 1.223 15 residues pruned to eliminate duplicates Z: 13 20.886 2.110 0.372 0.861 1.000 0.917 CB 1.531 13 residues pruned to eliminate duplicates 6 1.835 1.262 0.502 0.431 0.600 0.600 CB 0.775 ? Z: 8 12.430 1.666 0.590 0.786 1.000 0.714 O 1.379 8 residues pruned to eliminate duplicates Z: 8 12.241 1.903 0.560 0.891 1.000 0.714 CB 1.120 8 residues pruned to eliminate duplicates Z: 7 2.419 1.825 -0.040 0.843 0.833 0.667 CB 0.504 7 residues pruned to eliminate duplicates Z: 9 4.779 1.487 0.494 0.317 0.875 0.500 CB 1.064 9 residues pruned to eliminate duplicates Z: 14 11.003 1.751 0.291 0.863 1.000 0.846 CB 0.990 14 residues pruned to eliminate duplicates Z: 18 9.404 1.661 0.401 0.294 0.941 0.471 CB 1.312 18 residues pruned to eliminate duplicates Z: 12 19.634 2.098 0.615 0.832 1.000 0.909 CB 1.312 12 residues pruned to eliminate duplicates Z: 6 4.043 1.143 0.396 0.793 1.000 0.800 CA 0.876 Z: 6 5.902 1.747 0.066 0.713 1.000 0.600 CB 1.168 6 residues pruned to eliminate duplicates Z: 13 11.801 1.935 0.524 0.848 0.750 0.667 CB 1.143 13 residues pruned to eliminate duplicates 6 1.298 1.033 0.731 0.844 0.600 0.200 C 0.402 ? Z: 13 15.774 1.831 0.633 0.804 0.833 0.750 CA 1.401 13 residues pruned to eliminate duplicates Z: 7 5.202 1.644 0.479 0.569 0.833 0.333 CB 0.981 6 residues pruned to eliminate duplicates Z: 6 4.076 1.597 0.232 0.657 0.800 0.800 CB 1.000 6 residues pruned to eliminate duplicates Z: 18 13.956 1.831 0.673 0.834 0.882 0.471 CB 0.939 18 residues pruned to eliminate duplicates Z: 16 20.887 1.764 0.724 0.905 0.933 0.867 CB 1.353 16 residues pruned to eliminate duplicates Z: 11 7.083 1.598 0.504 0.827 0.900 0.800 CB 0.780 11 residues pruned to eliminate duplicates Z: 26 16.273 1.731 0.533 0.452 0.960 0.640 CA 1.343 29 residues pruned to eliminate duplicates Z: 9 4.634 1.452 0.427 0.676 0.750 0.500 CB 0.897 Z: 13 7.983 1.539 0.566 0.862 1.000 0.750 CB 0.702 11 residues pruned to eliminate duplicates Z: 7 7.454 1.573 0.400 0.674 1.000 0.667 CB 1.177 7 residues pruned to eliminate duplicates Z: 6 3.266 1.453 0.225 0.300 1.000 0.600 N 1.026 Z: 10 17.264 2.051 0.625 0.795 1.000 0.778 CA 1.334 10 residues pruned to eliminate duplicates Z: 23 38.667 2.029 1.097 0.923 1.000 0.455 CB 1.361 23 residues pruned to eliminate duplicates Z: 6 3.572 1.331 0.519 0.541 0.800 0.400 CA 0.949 Z: 12 12.252 1.866 0.355 0.531 0.909 0.727 CB 1.559 10 residues pruned to eliminate duplicates Z: 6 2.557 1.430 0.167 0.538 0.800 0.400 CB 0.825 Z: 8 5.113 1.582 0.476 0.362 0.857 0.286 CB 1.120 4 residues pruned to eliminate duplicates Z: 7 5.852 1.596 0.361 0.551 1.000 0.833 CB 1.046 7 residues pruned to eliminate duplicates Z: 17 6.682 1.521 0.370 0.411 0.938 0.500 CB 0.939 17 residues pruned to eliminate duplicates Z: 14 22.042 2.035 0.625 0.764 1.000 0.769 CA 1.463 14 residues pruned to eliminate duplicates Z: 12 6.880 1.599 0.343 0.430 0.909 0.636 CB 1.142 13 residues pruned to eliminate duplicates Z: 9 5.084 1.318 0.624 0.385 0.875 0.500 CA 1.085 9 residues pruned to eliminate duplicates Z: 15 27.819 1.935 0.840 0.899 1.000 0.571 CA 1.493 15 residues pruned to eliminate duplicates Z: 8 3.142 1.358 0.030 0.519 0.857 0.429 N 0.973 7 residues pruned to eliminate duplicates Z: 15 24.906 1.955 0.808 0.911 1.000 0.643 CB 1.334 15 residues pruned to eliminate duplicates Z: 12 12.076 1.691 0.418 0.511 1.000 0.455 N 1.501 13 residues pruned to eliminate duplicates Z: 6 4.342 1.471 0.589 0.604 1.000 0.800 CB 0.753 6 residues pruned to eliminate duplicates Z: 14 21.165 1.970 0.628 0.856 1.000 0.615 CA 1.350 16 residues pruned to eliminate duplicates Z: 15 23.039 1.831 0.870 0.859 0.929 0.786 CB 1.425 15 residues pruned to eliminate duplicates Z: 7 4.579 1.531 0.055 0.862 1.000 0.667 CB 0.849 7 residues pruned to eliminate duplicates Z: 15 16.503 1.793 0.441 0.894 0.929 0.643 CB 1.319 15 residues pruned to eliminate duplicates Z: 14 16.504 1.697 0.679 0.904 1.000 0.923 CA 1.144 14 residues pruned to eliminate duplicates Z: 18 19.270 1.786 0.560 0.872 0.941 0.647 CA 1.299 18 residues pruned to eliminate duplicates Z: 40 23.662 1.953 0.575 0.530 0.923 0.538 CB 1.296 40 residues pruned to eliminate duplicates Z: 12 8.467 1.472 0.394 0.924 1.000 0.909 CB 0.874 11 residues pruned to eliminate duplicates Z: 6 2.489 1.603 0.020 0.300 0.800 0.400 CB 1.065 6 residues pruned to eliminate duplicates Z: 8 9.365 1.981 0.118 0.598 1.000 0.857 CA 1.456 8 residues pruned to eliminate duplicates Z: 9 7.989 1.620 0.376 0.698 0.875 0.500 CB 1.208 5 residues pruned to eliminate duplicates Z: 10 12.301 1.550 0.653 0.765 1.000 0.778 N 1.265 11 residues pruned to eliminate duplicates Z: 8 6.550 1.520 0.946 0.767 0.857 0.714 CB 0.770 Z: 13 11.452 1.947 0.553 0.380 0.917 0.750 CB 1.355 14 residues pruned to eliminate duplicates Z: 9 6.505 1.665 0.442 0.440 0.875 0.625 N 1.165 9 residues pruned to eliminate duplicates Z: 24 27.788 1.893 0.616 0.900 0.957 0.913 CB 1.415 24 residues pruned to eliminate duplicates Z: 11 8.045 1.918 0.416 0.479 0.900 0.600 CB 1.063 12 residues pruned to eliminate duplicates Z: 26 20.083 1.979 0.530 0.577 0.840 0.640 CB 1.466 21 residues pruned to eliminate duplicates Z: 12 10.569 1.621 0.566 0.866 1.000 0.909 CB 0.919 13 residues pruned to eliminate duplicates Z: 6 6.098 1.557 0.089 0.842 1.000 0.600 O 1.199 6 residues pruned to eliminate duplicates 7 1.711 1.486 0.292 0.424 0.500 0.500 CB 0.788 ? Z: 17 13.287 1.742 0.428 0.896 1.000 0.875 CA 0.956 16 residues pruned to eliminate duplicates Z: 9 3.974 1.322 0.534 0.317 0.875 0.500 C 0.969 Z: 9 7.583 1.803 0.520 0.580 0.750 0.500 CB 1.207 9 residues pruned to eliminate duplicates Z: 6 3.841 1.679 0.152 0.239 0.800 0.600 CB 1.503 5 residues pruned to eliminate duplicates Z: 34 24.607 1.874 0.850 0.651 0.939 0.636 CB 1.142 37 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 4.884 1.318 0.416 0.543 1.000 0.625 CB 0.887 9 residues pruned to eliminate duplicates Z: 14 12.620 1.867 0.547 0.402 1.000 0.615 N 1.344 14 residues pruned to eliminate duplicates Z: 13 11.827 1.888 0.615 0.460 0.917 0.500 CB 1.272 24 residues pruned to eliminate duplicates 6 1.188 1.373 0.476 0.198 0.400 0.200 CA 0.938 ? Z: 6 3.174 1.447 0.125 0.432 1.000 0.600 CB 0.936 Z: 6 3.710 1.699 0.349 0.263 0.800 0.200 CB 1.185 6 residues pruned to eliminate duplicates Z: 19 17.320 1.701 0.643 0.828 0.833 0.556 CB 1.320 19 residues pruned to eliminate duplicates Z: 16 18.574 1.810 0.521 0.878 0.933 0.733 CA 1.354 16 residues pruned to eliminate duplicates Z: 16 20.217 1.835 0.583 0.895 1.000 0.800 CA 1.288 16 residues pruned to eliminate duplicates Z: 17 18.560 1.780 0.623 0.844 0.938 0.812 CA 1.274 17 residues pruned to eliminate duplicates Z: 13 16.149 1.802 0.652 0.805 0.917 0.667 CA 1.310 13 residues pruned to eliminate duplicates Z: 15 14.524 1.743 0.761 0.865 0.857 0.714 CA 1.080 15 residues pruned to eliminate duplicates Z: 15 20.965 1.805 0.711 0.847 1.000 0.500 CA 1.347 15 residues pruned to eliminate duplicates Z: 16 11.422 1.739 0.670 0.627 0.667 0.600 CA 1.351 16 residues pruned to eliminate duplicates Z: 12 19.105 1.875 0.802 0.901 0.909 0.727 CA 1.339 12 residues pruned to eliminate duplicates Z: 15 24.421 1.829 0.889 0.868 0.929 0.714 CA 1.487 15 residues pruned to eliminate duplicates Z: 14 18.682 1.766 0.606 0.859 1.000 0.615 CA 1.344 14 residues pruned to eliminate duplicates Z: 14 17.509 1.761 0.734 0.815 0.846 0.615 CA 1.429 14 residues pruned to eliminate duplicates Z: 17 22.127 1.818 0.830 0.862 1.000 0.938 CA 1.220 17 residues pruned to eliminate duplicates Z: 16 17.163 1.708 0.723 0.909 0.933 0.867 CA 1.145 16 residues pruned to eliminate duplicates Z: 18 21.433 1.788 0.751 0.900 1.000 0.588 CA 1.186 18 residues pruned to eliminate duplicates Z: 13 19.497 1.771 1.120 0.742 0.917 0.333 CA 1.317 15 residues pruned to eliminate duplicates Z: 16 21.423 1.743 1.106 0.889 0.933 0.667 CA 1.162 14 residues pruned to eliminate duplicates Z: 10 12.860 1.904 0.364 0.684 1.000 0.667 CA 1.395 10 residues pruned to eliminate duplicates Z: 11 8.700 1.982 0.295 0.460 0.900 0.500 CB 1.240 13 residues pruned to eliminate duplicates Z: 6 6.916 1.841 -0.041 0.843 1.000 0.800 CA 1.305 6 residues pruned to eliminate duplicates Z: 27 18.977 1.945 0.348 0.619 0.885 0.500 CA 1.434 21 residues pruned to eliminate duplicates Z: 9 5.417 1.588 0.293 0.616 0.750 0.375 CA 1.115 9 residues pruned to eliminate duplicates Z: 26 19.756 1.941 0.424 0.644 0.920 0.680 CA 1.359 27 residues pruned to eliminate duplicates Z: 16 10.194 1.633 0.439 0.666 0.867 0.467 CA 1.108 16 residues pruned to eliminate duplicates Z: 26 20.851 1.987 0.378 0.662 0.920 0.600 CA 1.425 26 residues pruned to eliminate duplicates Z: 26 18.425 1.979 0.333 0.665 0.880 0.640 CA 1.362 26 residues pruned to eliminate duplicates Z: 23 19.593 2.037 0.462 0.602 0.909 0.545 CA 1.400 23 residues pruned to eliminate duplicates Z: 9 12.037 1.951 0.376 0.526 1.000 0.750 N 1.545 9 residues pruned to eliminate duplicates Z: 27 21.487 1.968 0.463 0.649 0.885 0.577 CB 1.440 27 residues pruned to eliminate duplicates Z: 14 15.434 1.807 0.551 0.733 0.923 0.615 CA 1.342 14 residues pruned to eliminate duplicates Z: 15 11.499 1.846 0.469 0.647 0.786 0.429 CA 1.258 15 residues pruned to eliminate duplicates Z: 24 19.874 1.971 0.381 0.640 0.913 0.565 CA 1.462 24 residues pruned to eliminate duplicates Z: 20 15.668 1.725 0.569 0.605 0.947 0.684 CB 1.269 20 residues pruned to eliminate duplicates Z: 14 20.637 1.856 0.785 0.765 0.923 0.615 CB 1.480 14 residues pruned to eliminate duplicates Z: 29 21.874 1.912 0.740 0.583 0.857 0.464 CB 1.338 27 residues pruned to eliminate duplicates Z: 13 24.248 1.844 0.987 0.819 1.000 0.583 N 1.449 13 residues pruned to eliminate duplicates Z: 15 25.495 1.850 1.130 0.791 1.000 0.571 CB 1.339 15 residues pruned to eliminate duplicates Z: 15 21.194 1.772 0.761 0.835 1.000 0.643 N 1.360 15 residues pruned to eliminate duplicates Z: 15 22.129 2.200 0.436 0.763 0.929 0.714 CB 1.596 15 residues pruned to eliminate duplicates Z: 15 26.291 2.174 0.633 0.764 1.000 0.714 CA 1.565 14 residues pruned to eliminate duplicates Z: 14 18.666 1.951 0.606 0.829 0.923 0.769 CA 1.346 14 residues pruned to eliminate duplicates Z: 17 21.450 2.013 0.658 0.667 0.875 0.688 CA 1.574 17 residues pruned to eliminate duplicates Z: 16 19.255 2.102 0.575 0.737 0.867 0.600 CB 1.401 16 residues pruned to eliminate duplicates Z: 16 23.279 2.125 0.534 0.748 1.000 0.600 CB 1.478 16 residues pruned to eliminate duplicates Z: 14 28.576 2.215 0.764 0.767 1.000 0.615 CB 1.601 14 residues pruned to eliminate duplicates Z: 16 21.574 2.156 0.409 0.696 0.933 0.533 CB 1.643 16 residues pruned to eliminate duplicates Z: 16 18.121 2.077 0.629 0.749 0.867 0.600 CB 1.278 16 residues pruned to eliminate duplicates Z: 16 20.948 2.096 0.521 0.756 0.933 0.600 CB 1.448 16 residues pruned to eliminate duplicates Z: 17 20.844 2.079 0.635 0.699 0.938 0.500 CB 1.364 17 residues pruned to eliminate duplicates Z: 18 21.663 2.111 0.615 0.695 0.882 0.706 CA 1.462 18 residues pruned to eliminate duplicates Z: 18 18.893 2.107 0.510 0.687 0.824 0.529 CA 1.474 18 residues pruned to eliminate duplicates Z: 16 21.380 2.129 0.575 0.707 0.867 0.400 CB 1.575 16 residues pruned to eliminate duplicates Z: 25 19.826 1.946 0.524 0.612 0.917 0.625 CB 1.339 25 residues pruned to eliminate duplicates Z: 18 24.697 2.052 0.585 0.716 1.000 0.647 CA 1.515 18 residues pruned to eliminate duplicates Z: 24 16.577 1.958 0.447 0.580 0.826 0.522 CB 1.367 24 residues pruned to eliminate duplicates Z: 23 22.676 2.025 0.622 0.612 0.909 0.500 CA 1.456 24 residues pruned to eliminate duplicates Z: 7 2.935 1.495 0.310 0.407 0.833 0.333 CA 0.810 7 residues pruned to eliminate duplicates Z: 7 3.307 1.673 0.307 0.310 0.833 0.500 CB 0.916 7 residues pruned to eliminate duplicates Z: 8 3.683 1.743 0.294 0.367 0.571 0.286 O 1.245 8 residues pruned to eliminate duplicates Z: 7 4.821 1.721 0.266 0.581 0.833 0.500 CA 1.002 7 residues pruned to eliminate duplicates Z: 7 3.281 1.693 0.480 0.654 1.000 0.667 CB 0.464 7 residues pruned to eliminate duplicates Z: 12 9.480 1.617 0.465 0.706 0.909 0.636 CA 1.101 12 residues pruned to eliminate duplicates Z: 12 11.751 1.594 0.743 0.827 1.000 0.636 CA 0.961 12 residues pruned to eliminate duplicates Z: 10 13.200 1.743 0.955 0.827 1.000 0.667 CB 0.972 12 residues pruned to eliminate duplicates Z: 11 10.289 1.615 0.721 0.894 1.000 0.500 CB 0.840 11 residues pruned to eliminate duplicates Z: 12 9.647 1.623 0.715 0.757 1.000 0.455 CB 0.832 12 residues pruned to eliminate duplicates Z: 7 4.235 1.410 0.493 0.813 0.833 0.667 CB 0.751 6 residues pruned to eliminate duplicates Z: 11 6.939 1.610 0.684 0.876 1.000 0.900 CB 0.588 11 residues pruned to eliminate duplicates Z: 12 8.497 1.626 0.441 0.892 0.909 0.818 CB 0.864 12 residues pruned to eliminate duplicates Z: 10 12.136 1.732 0.757 0.865 1.000 0.778 CB 0.974 10 residues pruned to eliminate duplicates Z: 14 23.851 1.907 0.850 0.840 1.000 0.846 CA 1.399 13 residues pruned to eliminate duplicates Z: 12 18.072 1.985 0.671 0.883 0.909 0.818 CA 1.307 12 residues pruned to eliminate duplicates Z: 13 17.515 1.939 0.546 0.725 1.000 0.667 CA 1.377 13 residues pruned to eliminate duplicates Z: 9 8.925 1.866 0.389 0.628 0.875 0.500 CB 1.234 9 residues pruned to eliminate duplicates Z: 15 17.202 1.936 0.746 0.763 0.857 0.786 CB 1.257 15 residues pruned to eliminate duplicates Z: 14 17.915 1.982 0.722 0.754 0.846 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 13 20.882 2.021 0.885 0.837 0.833 0.667 CB 1.421 13 residues pruned to eliminate duplicates Z: 14 21.281 1.968 0.896 0.776 0.846 0.692 CB 1.465 14 residues pruned to eliminate duplicates Z: 14 19.678 1.957 0.747 0.816 0.846 0.846 CA 1.433 14 residues pruned to eliminate duplicates Z: 14 20.221 1.973 0.696 0.825 0.846 0.769 CB 1.495 14 residues pruned to eliminate duplicates Z: 15 18.795 1.923 0.722 0.765 0.929 0.643 CB 1.292 15 residues pruned to eliminate duplicates Z: 13 23.143 2.046 0.783 0.911 0.917 0.750 CA 1.416 13 residues pruned to eliminate duplicates Z: 9 5.007 1.394 0.538 0.434 0.875 0.375 CB 1.010 7 residues pruned to eliminate duplicates Z: 6 7.132 1.553 0.672 0.852 1.000 0.800 CB 0.908 6 residues pruned to eliminate duplicates Z: 8 5.012 1.511 0.117 0.584 1.000 0.571 CB 1.036 8 residues pruned to eliminate duplicates Z: 24 18.770 1.939 0.424 0.618 0.957 0.739 CA 1.325 14 residues pruned to eliminate duplicates Z: 6 3.155 1.409 0.834 0.276 0.800 0.600 CB 0.880 Z: 7 9.084 1.742 0.780 0.544 1.000 0.833 CA 1.145 7 residues pruned to eliminate duplicates Z: 25 20.624 1.985 0.369 0.633 1.000 0.708 CA 1.367 25 residues pruned to eliminate duplicates Z: 28 21.877 1.881 0.646 0.569 0.926 0.704 CA 1.373 33 residues pruned to eliminate duplicates Z: 18 15.585 1.999 0.011 0.765 1.000 0.824 CA 1.480 18 residues pruned to eliminate duplicates Z: 28 20.792 1.890 0.548 0.585 0.926 0.741 CA 1.362 28 residues pruned to eliminate duplicates Z: 26 21.903 1.953 0.482 0.647 0.920 0.760 CB 1.434 26 residues pruned to eliminate duplicates Z: 30 15.771 1.908 0.287 0.521 0.897 0.724 CB 1.303 30 residues pruned to eliminate duplicates Z: 23 25.122 2.021 0.520 0.649 0.955 0.727 CB 1.589 26 residues pruned to eliminate duplicates Z: 13 13.895 2.044 -0.091 0.902 1.000 1.000 CA 1.540 13 residues pruned to eliminate duplicates Z: 25 23.547 1.937 0.652 0.609 0.958 0.792 CB 1.413 25 residues pruned to eliminate duplicates Z: 36 35.652 1.992 0.812 0.660 0.971 0.657 CA 1.482 73 residues pruned to eliminate duplicates Z: 14 21.623 2.035 0.514 0.870 0.923 0.769 CB 1.539 14 residues pruned to eliminate duplicates Z: 24 26.922 1.961 0.735 0.612 0.957 0.739 CA 1.551 22 residues pruned to eliminate duplicates Z: 14 24.133 2.007 0.865 0.921 1.000 0.846 CB 1.259 14 residues pruned to eliminate duplicates Z: 22 25.929 1.997 0.664 0.698 1.000 0.857 CB 1.422 22 residues pruned to eliminate duplicates Z: 24 27.253 2.023 0.674 0.669 1.000 0.696 CA 1.435 24 residues pruned to eliminate duplicates Z: 46 19.970 1.880 0.547 0.480 0.867 0.378 CB 1.205 61 residues pruned to eliminate duplicates Z: 37 26.099 1.948 0.647 0.531 0.972 0.583 CB 1.353 37 residues pruned to eliminate duplicates Z: 32 16.470 1.942 0.544 0.496 0.806 0.516 CB 1.228 45 residues pruned to eliminate duplicates Z: 44 24.804 1.913 0.608 0.508 0.953 0.558 CB 1.279 44 residues pruned to eliminate duplicates Z: 19 10.542 1.868 0.323 0.278 0.889 0.611 CB 1.455 Z: 9 3.947 1.609 0.138 0.390 0.750 0.500 CB 1.141 9 residues pruned to eliminate duplicates Z: 42 24.454 1.930 0.765 0.490 0.878 0.537 CB 1.290 61 residues pruned to eliminate duplicates Z: 21 12.243 1.860 0.418 0.282 0.950 0.500 CB 1.397 Z: 6 8.274 2.063 0.652 0.427 1.000 0.600 CA 1.172 6 residues pruned to eliminate duplicates Z: 35 21.450 1.937 0.698 0.517 0.912 0.559 CB 1.206 56 residues pruned to eliminate duplicates Z: 21 9.378 1.847 0.468 0.231 0.850 0.550 CB 1.244 Z: 6 4.236 1.870 0.488 0.285 0.800 0.400 CB 1.084 11 residues pruned to eliminate duplicates Z: 6 7.197 1.663 0.694 0.473 1.000 0.600 CB 1.174 5 residues pruned to eliminate duplicates Z: 8 7.127 1.571 0.391 0.578 1.000 0.571 CA 1.144 6 residues pruned to eliminate duplicates Z: 6 5.635 1.826 0.611 0.523 0.800 0.600 N 1.046 6 residues pruned to eliminate duplicates Z: 21 15.960 1.924 0.397 0.438 0.950 0.600 CA 1.490 21 residues pruned to eliminate duplicates Z: 13 9.014 1.749 0.443 0.340 0.917 0.750 CA 1.339 13 residues pruned to eliminate duplicates Z: 13 10.173 1.769 0.552 0.349 1.000 0.500 CB 1.259 13 residues pruned to eliminate duplicates Z: 19 14.576 1.927 0.580 0.373 0.889 0.556 CA 1.455 19 residues pruned to eliminate duplicates Z: 20 9.398 1.734 0.498 0.265 0.842 0.579 CA 1.287 20 residues pruned to eliminate duplicates Z: 21 14.634 1.878 0.486 0.401 0.950 0.600 CA 1.371 21 residues pruned to eliminate duplicates Z: 8 4.687 1.434 0.951 0.495 0.857 0.571 CB 0.743 8 residues pruned to eliminate duplicates Z: 26 21.016 1.902 0.502 0.609 0.920 0.720 CA 1.442 27 residues pruned to eliminate duplicates Z: 16 22.411 1.944 0.776 0.800 1.000 0.733 CA 1.289 15 residues pruned to eliminate duplicates Z: 21 16.638 1.842 0.518 0.598 0.950 0.550 CA 1.276 21 residues pruned to eliminate duplicates Z: 29 23.602 1.862 0.582 0.602 1.000 0.714 CA 1.373 28 residues pruned to eliminate duplicates Z: 14 17.629 2.000 0.873 0.685 0.923 0.615 CA 1.193 14 residues pruned to eliminate duplicates Z: 34 20.614 1.898 0.707 0.509 0.879 0.545 CB 1.248 30 residues pruned to eliminate duplicates Z: 14 28.484 1.996 1.025 0.930 1.000 0.769 CA 1.367 14 residues pruned to eliminate duplicates Z: 27 22.853 1.885 0.718 0.582 0.923 0.769 CB 1.386 27 residues pruned to eliminate duplicates Z: 26 21.266 1.894 0.684 0.564 1.000 0.520 CA 1.253 26 residues pruned to eliminate duplicates Z: 16 19.750 1.864 0.795 0.708 0.933 0.600 CA 1.351 16 residues pruned to eliminate duplicates Z: 13 20.618 1.974 0.963 0.846 0.917 0.333 CA 1.245 13 residues pruned to eliminate duplicates Z: 30 17.833 1.893 0.566 0.578 0.966 0.414 CB 1.073 30 residues pruned to eliminate duplicates Z: 13 20.780 2.000 0.746 0.909 1.000 0.417 CB 1.219 13 residues pruned to eliminate duplicates Z: 45 23.352 1.863 0.619 0.466 0.977 0.523 CB 1.236 45 residues pruned to eliminate duplicates Z: 13 22.613 1.990 0.888 0.804 1.000 0.583 CA 1.332 13 residues pruned to eliminate duplicates Z: 21 17.187 1.934 0.881 0.632 0.850 0.550 CB 1.098 21 residues pruned to eliminate duplicates Z: 35 19.518 1.867 0.543 0.466 0.912 0.676 CB 1.319 35 residues pruned to eliminate duplicates Z: 41 20.082 1.864 0.590 0.524 0.925 0.550 CB 1.131 41 residues pruned to eliminate duplicates Z: 9 4.748 1.831 0.259 0.292 0.875 0.250 CB 1.051 9 residues pruned to eliminate duplicates Z: 38 19.636 1.849 0.508 0.471 0.973 0.703 CB 1.225 38 residues pruned to eliminate duplicates Z: 21 16.261 1.902 0.692 0.629 0.900 0.450 CB 1.112 21 residues pruned to eliminate duplicates Z: 14 6.893 1.797 0.258 0.473 0.846 0.385 CB 1.027 14 residues pruned to eliminate duplicates Z: 36 20.007 1.884 0.618 0.471 0.914 0.686 CB 1.250 36 residues pruned to eliminate duplicates Z: 9 9.171 1.840 0.468 0.605 1.000 0.500 CB 1.087 9 residues pruned to eliminate duplicates Z: 6 4.807 1.340 0.702 0.469 1.000 1.000 CB 0.973 6 residues pruned to eliminate duplicates Z: 17 11.574 1.787 0.501 0.414 0.875 0.375 CA 1.349 17 residues pruned to eliminate duplicates Z: 16 10.771 1.890 0.352 0.377 0.933 0.467 CB 1.330 16 residues pruned to eliminate duplicates Z: 17 12.529 1.865 0.577 0.393 0.875 0.375 CB 1.363 17 residues pruned to eliminate duplicates Z: 11 8.620 1.846 0.525 0.412 0.900 0.500 CB 1.179 11 residues pruned to eliminate duplicates Z: 16 11.480 1.916 0.497 0.382 0.933 0.467 CB 1.254 16 residues pruned to eliminate duplicates Z: 26 12.598 1.791 0.473 0.398 0.760 0.280 CB 1.399 27 residues pruned to eliminate duplicates Z: 8 2.502 1.622 0.165 0.151 0.714 0.429 CB 1.075 8 residues pruned to eliminate duplicates Z: 12 7.191 1.799 0.273 0.339 0.909 0.364 CB 1.242 12 residues pruned to eliminate duplicates Z: 16 12.255 1.953 0.481 0.410 0.867 0.533 CB 1.387 16 residues pruned to eliminate duplicates Z: 21 12.766 1.833 0.529 0.346 0.900 0.450 CB 1.337 21 residues pruned to eliminate duplicates Z: 11 5.350 1.928 0.256 0.218 0.900 0.300 CB 1.081 11 residues pruned to eliminate duplicates Z: 16 6.924 1.919 0.276 0.247 0.800 0.400 CB 1.222 16 residues pruned to eliminate duplicates Z: 17 13.192 1.928 0.452 0.410 0.938 0.500 CB 1.380 17 residues pruned to eliminate duplicates Z: 22 14.571 1.886 0.519 0.400 0.905 0.381 CB 1.364 22 residues pruned to eliminate duplicates Z: 26 11.253 1.785 0.378 0.350 0.800 0.400 CB 1.346 26 residues pruned to eliminate duplicates Z: 26 11.146 1.764 0.367 0.316 0.840 0.400 CB 1.349 26 residues pruned to eliminate duplicates Z: 6 5.300 1.726 0.435 0.336 0.800 0.200 O 1.430 Z: 14 12.623 1.500 0.593 0.839 1.000 0.692 CB 1.094 13 residues pruned to eliminate duplicates Z: 9 9.277 1.608 0.624 0.673 0.875 0.375 N 1.224 9 residues pruned to eliminate duplicates Z: 27 14.022 1.794 0.448 0.380 0.885 0.577 CB 1.360 35 residues pruned to eliminate duplicates Z: 9 8.955 1.624 0.652 0.672 0.875 0.250 CA 1.151 9 residues pruned to eliminate duplicates Z: 6 5.893 1.563 0.641 0.702 0.800 0.400 N 1.068 6 residues pruned to eliminate duplicates Z: 16 13.970 1.697 0.880 0.681 0.800 0.533 CB 1.196 16 residues pruned to eliminate duplicates Z: 7 2.520 1.413 0.325 0.688 1.000 0.500 CB 0.463 7 residues pruned to eliminate duplicates Z: 17 11.681 1.594 0.945 0.630 0.812 0.500 CB 1.026 17 residues pruned to eliminate duplicates Z: 7 6.416 1.453 1.095 0.704 1.000 0.333 CB 0.715 Z: 6 7.255 1.558 0.978 0.665 0.800 0.400 CB 1.129 13 residues pruned to eliminate duplicates Z: 6 8.316 1.597 0.672 0.716 1.000 0.800 CB 1.146 4 residues pruned to eliminate duplicates Z: 17 18.181 1.964 0.349 0.770 1.000 0.812 CB 1.350 17 residues pruned to eliminate duplicates Z: 21 17.540 1.951 0.556 0.672 0.850 0.750 CB 1.297 21 residues pruned to eliminate duplicates Z: 22 18.683 1.914 0.571 0.681 0.857 0.667 CB 1.339 22 residues pruned to eliminate duplicates Z: 22 16.942 1.901 0.368 0.693 0.952 0.667 CB 1.251 22 residues pruned to eliminate duplicates Z: 19 20.606 2.026 0.602 0.747 1.000 0.833 CB 1.200 20 residues pruned to eliminate duplicates Z: 16 26.351 1.943 0.715 0.885 1.000 0.733 CA 1.474 14 residues pruned to eliminate duplicates Z: 15 23.789 1.990 0.510 0.890 1.000 0.857 CA 1.522 15 residues pruned to eliminate duplicates Z: 20 24.228 2.045 0.569 0.776 1.000 0.842 CB 1.358 20 residues pruned to eliminate duplicates Z: 19 19.221 1.950 0.585 0.674 1.000 0.611 CB 1.248 19 residues pruned to eliminate duplicates Z: 19 24.700 2.065 0.685 0.775 1.000 0.944 CB 1.312 19 residues pruned to eliminate duplicates Z: 22 19.329 1.878 0.652 0.675 0.857 0.619 CB 1.350 22 residues pruned to eliminate duplicates Z: 21 24.428 1.978 0.728 0.753 0.950 0.750 CB 1.343 21 residues pruned to eliminate duplicates Z: 21 27.601 1.980 0.848 0.740 1.000 0.700 CB 1.360 23 residues pruned to eliminate duplicates Z: 15 26.364 1.955 0.746 0.878 1.000 0.429 CA 1.498 15 residues pruned to eliminate duplicates Z: 16 28.116 1.912 0.939 0.876 1.000 0.600 CB 1.423 16 residues pruned to eliminate duplicates Z: 7 5.104 1.871 0.179 0.332 0.833 0.333 CB 1.363 7 residues pruned to eliminate duplicates Z: 6 4.419 1.735 -0.083 0.440 1.000 0.600 N 1.321 7 residues pruned to eliminate duplicates Z: 6 2.495 1.639 0.423 0.411 1.000 0.400 CB 0.525 6 residues pruned to eliminate duplicates Z: 13 6.798 1.825 0.207 0.372 1.000 0.583 CB 1.022 13 residues pruned to eliminate duplicates Z: 8 4.375 2.004 0.163 0.396 0.857 0.429 CB 0.923 15 residues pruned to eliminate duplicates Z: 6 4.838 1.686 0.558 0.541 0.800 0.600 CB 0.989 6 residues pruned to eliminate duplicates Z: 34 22.039 1.963 0.532 0.568 0.909 0.606 CB 1.314 34 residues pruned to eliminate duplicates Z: 30 24.158 2.035 0.531 0.580 0.966 0.655 CB 1.381 30 residues pruned to eliminate duplicates Z: 34 24.970 2.084 0.574 0.530 0.939 0.576 CB 1.370 34 residues pruned to eliminate duplicates Z: 35 24.176 2.044 0.604 0.545 0.912 0.588 CB 1.327 35 residues pruned to eliminate duplicates Z: 36 25.791 2.011 0.660 0.558 0.943 0.629 CB 1.309 36 residues pruned to eliminate duplicates Z: 49 23.315 1.943 0.495 0.526 0.854 0.521 CB 1.322 49 residues pruned to eliminate duplicates Z: 40 22.874 1.988 0.490 0.507 0.897 0.487 CB 1.368 40 residues pruned to eliminate duplicates Z: 56 26.941 1.970 0.502 0.508 0.909 0.509 CB 1.340 57 residues pruned to eliminate duplicates Z: 14 27.648 2.073 0.910 0.841 1.000 0.692 CA 1.445 14 residues pruned to eliminate duplicates Z: 38 24.560 2.001 0.611 0.542 0.919 0.649 CB 1.308 38 residues pruned to eliminate duplicates Z: 36 24.861 2.037 0.504 0.529 0.943 0.571 CB 1.413 36 residues pruned to eliminate duplicates Z: 43 17.376 1.953 0.375 0.469 0.881 0.595 CB 1.169 56 residues pruned to eliminate duplicates Z: 45 24.568 2.000 0.511 0.500 0.886 0.545 CB 1.382 45 residues pruned to eliminate duplicates Z: 31 23.558 1.966 0.571 0.554 0.900 0.633 CB 1.468 31 residues pruned to eliminate duplicates Z: 35 25.899 2.064 0.616 0.515 0.971 0.529 CB 1.351 35 residues pruned to eliminate duplicates Z: 45 26.480 2.005 0.509 0.562 0.932 0.636 CB 1.334 45 residues pruned to eliminate duplicates Z: 37 20.544 2.010 0.399 0.521 0.889 0.583 CB 1.341 37 residues pruned to eliminate duplicates Z: 36 21.294 1.988 0.436 0.519 0.914 0.429 CB 1.353 36 residues pruned to eliminate duplicates Z: 36 23.934 2.072 0.456 0.495 0.943 0.657 CB 1.430 36 residues pruned to eliminate duplicates Z: 35 22.476 1.954 0.498 0.499 0.941 0.735 CB 1.401 35 residues pruned to eliminate duplicates Z: 39 22.163 1.970 0.467 0.534 0.947 0.684 CB 1.269 39 residues pruned to eliminate duplicates Z: 32 24.690 1.959 0.562 0.586 0.968 0.742 CB 1.378 32 residues pruned to eliminate duplicates Z: 36 24.542 2.034 0.518 0.540 0.943 0.543 CB 1.370 36 residues pruned to eliminate duplicates Z: 41 22.008 1.967 0.458 0.502 0.900 0.550 CB 1.346 41 residues pruned to eliminate duplicates Z: 37 22.020 2.027 0.609 0.509 0.889 0.500 CB 1.255 37 residues pruned to eliminate duplicates Z: 42 22.215 1.977 0.529 0.471 0.902 0.488 CB 1.309 42 residues pruned to eliminate duplicates Z: 35 17.375 1.987 0.537 0.413 0.912 0.471 CB 1.171 35 residues pruned to eliminate duplicates Z: 16 9.075 1.948 0.333 0.387 0.867 0.400 CB 1.174 16 residues pruned to eliminate duplicates Z: 43 23.332 2.044 0.481 0.481 0.905 0.548 CB 1.340 43 residues pruned to eliminate duplicates Z: 45 23.508 1.994 0.398 0.516 0.932 0.682 CB 1.343 45 residues pruned to eliminate duplicates Z: 50 18.434 1.869 0.438 0.441 0.816 0.327 CB 1.275 50 residues pruned to eliminate duplicates Z: 21 9.690 1.773 0.464 0.320 0.800 0.500 CB 1.273 21 residues pruned to eliminate duplicates Z: 12 11.382 1.833 0.629 0.635 0.909 0.545 CA 1.113 12 residues pruned to eliminate duplicates Z: 20 8.643 1.827 0.508 0.392 0.789 0.421 CB 1.021 20 residues pruned to eliminate duplicates Z: 12 9.722 1.892 0.600 0.516 0.727 0.545 CB 1.310 12 residues pruned to eliminate duplicates Z: 17 6.409 1.800 0.441 0.280 0.625 0.438 CB 1.267 17 residues pruned to eliminate duplicates Z: 15 15.085 1.959 0.381 0.700 1.000 0.500 CB 1.242 15 residues pruned to eliminate duplicates Z: 27 12.436 1.718 0.507 0.371 0.808 0.308 CB 1.338 49 residues pruned to eliminate duplicates Z: 18 15.170 1.758 0.525 0.712 0.941 0.647 CB 1.203 18 residues pruned to eliminate duplicates Z: 8 7.140 1.578 0.719 0.731 0.857 0.429 CA 0.943 8 residues pruned to eliminate duplicates Z: 8 7.826 1.574 0.644 0.787 1.000 0.429 CA 0.888 8 residues pruned to eliminate duplicates Z: 17 13.694 1.837 0.465 0.773 0.875 0.750 CB 1.142 17 residues pruned to eliminate duplicates Z: 21 13.615 1.684 0.570 0.693 0.900 0.650 CB 1.072 21 residues pruned to eliminate duplicates Z: 15 11.315 1.867 0.623 0.564 0.857 0.500 CB 1.094 15 residues pruned to eliminate duplicates Z: 11 10.017 1.942 0.457 0.648 0.800 0.600 CB 1.219 11 residues pruned to eliminate duplicates Z: 11 11.377 2.004 0.522 0.678 0.800 0.700 CB 1.252 11 residues pruned to eliminate duplicates Z: 11 6.340 1.961 0.118 0.565 0.700 0.600 CB 1.226 11 residues pruned to eliminate duplicates Z: 18 6.758 1.729 0.278 0.408 0.824 0.471 CB 0.992 24 residues pruned to eliminate duplicates Z: 18 12.934 1.944 0.473 0.594 0.824 0.529 CB 1.216 16 residues pruned to eliminate duplicates Z: 18 12.703 1.714 0.432 0.712 0.941 0.588 CB 1.100 18 residues pruned to eliminate duplicates Z: 25 20.392 1.894 0.731 0.560 0.875 0.583 CB 1.370 25 residues pruned to eliminate duplicates Z: 17 11.253 1.910 0.329 0.554 0.812 0.500 CB 1.294 17 residues pruned to eliminate duplicates Z: 23 12.364 1.902 0.357 0.449 0.909 0.545 CB 1.183 21 residues pruned to eliminate duplicates Z: 7 9.475 1.776 0.450 0.780 0.833 0.500 N 1.408 9 residues pruned to eliminate duplicates Z: 8 7.413 1.732 0.420 0.668 0.857 0.429 CB 1.137 7 residues pruned to eliminate duplicates Z: 7 7.928 1.874 0.293 0.691 1.000 0.833 CB 1.122 8 residues pruned to eliminate duplicates Z: 6 9.657 2.123 0.583 0.583 1.000 0.600 CB 1.187 6 residues pruned to eliminate duplicates Z: 8 6.024 1.938 0.283 0.435 0.857 0.571 CB 1.143 8 residues pruned to eliminate duplicates Z: 9 6.083 1.919 0.452 0.394 0.750 0.250 CB 1.151 9 residues pruned to eliminate duplicates Z: 19 15.877 1.647 0.599 0.676 1.000 0.556 CB 1.208 19 residues pruned to eliminate duplicates Z: 16 18.855 1.699 0.703 0.796 1.000 0.867 CB 1.298 16 residues pruned to eliminate duplicates Z: 14 20.940 1.750 0.787 0.913 1.000 0.769 CB 1.314 14 residues pruned to eliminate duplicates Z: 17 17.467 1.668 0.759 0.739 0.938 0.500 CB 1.281 16 residues pruned to eliminate duplicates Z: 14 21.701 1.700 0.835 0.907 1.000 0.385 CB 1.371 14 residues pruned to eliminate duplicates Z: 16 20.089 1.683 0.862 0.830 1.000 0.600 CB 1.244 16 residues pruned to eliminate duplicates Z: 21 16.283 1.655 0.712 0.655 0.900 0.500 CB 1.236 17 residues pruned to eliminate duplicates Z: 14 20.185 1.736 0.894 0.906 0.923 0.538 CB 1.313 14 residues pruned to eliminate duplicates Z: 23 14.166 1.606 0.617 0.609 0.909 0.409 CB 1.153 21 residues pruned to eliminate duplicates Z: 16 21.755 1.669 0.838 0.887 1.000 0.600 CA 1.320 22 residues pruned to eliminate duplicates Z: 15 21.406 1.738 0.792 0.922 1.000 0.714 CA 1.291 15 residues pruned to eliminate duplicates Z: 16 17.107 1.702 0.875 0.792 0.933 0.400 CB 1.147 16 residues pruned to eliminate duplicates Z: 14 17.205 1.739 0.887 0.695 1.000 0.385 CB 1.217 14 residues pruned to eliminate duplicates Z: 10 16.010 1.735 0.970 0.767 1.000 0.333 CB 1.232 10 residues pruned to eliminate duplicates Z: 12 4.800 1.592 0.383 0.418 0.727 0.364 CB 0.984 12 residues pruned to eliminate duplicates Z: 11 6.581 1.586 0.133 0.444 1.000 0.600 N 1.228 10 residues pruned to eliminate duplicates Z: 8 5.309 1.548 -0.079 0.674 1.000 0.571 N 1.199 8 residues pruned to eliminate duplicates Z: 13 5.541 1.578 -0.040 0.515 0.833 0.583 CB 1.248 13 residues pruned to eliminate duplicates Z: 10 9.831 1.628 0.395 0.605 1.000 0.667 N 1.306 12 residues pruned to eliminate duplicates Z: 6 5.276 1.580 0.099 0.759 1.000 1.000 CB 1.079 6 residues pruned to eliminate duplicates Z: 10 9.032 1.634 0.359 0.693 0.889 0.778 CB 1.279 10 residues pruned to eliminate duplicates Z: 16 6.205 1.586 0.208 0.475 0.867 0.600 CB 0.990 16 residues pruned to eliminate duplicates Z: 11 7.803 1.651 0.361 0.608 0.800 0.600 CB 1.239 10 residues pruned to eliminate duplicates Z: 15 18.077 1.965 0.379 0.865 0.929 0.857 CA 1.407 15 residues pruned to eliminate duplicates Z: 17 16.679 1.884 0.438 0.768 0.875 0.812 CB 1.387 17 residues pruned to eliminate duplicates Z: 32 23.216 1.965 0.479 0.716 0.839 0.677 CB 1.407 34 residues pruned to eliminate duplicates Z: 15 24.823 1.939 0.657 0.880 1.000 0.857 CB 1.495 15 residues pruned to eliminate duplicates Z: 16 23.554 1.880 0.648 0.935 1.000 0.867 CB 1.367 16 residues pruned to eliminate duplicates Z: 14 22.583 1.952 0.660 0.816 1.000 0.769 CB 1.469 14 residues pruned to eliminate duplicates Z: 16 19.221 1.930 0.636 0.749 0.867 0.733 CA 1.451 16 residues pruned to eliminate duplicates Z: 15 20.753 1.945 0.705 0.797 0.857 0.714 CB 1.504 15 residues pruned to eliminate duplicates Z: 17 18.935 1.850 0.699 0.703 0.875 0.688 CA 1.431 17 residues pruned to eliminate duplicates Z: 15 21.440 1.959 0.692 0.794 0.857 0.714 CB 1.559 15 residues pruned to eliminate duplicates Z: 15 22.467 1.969 0.724 0.847 0.857 0.857 CA 1.532 15 residues pruned to eliminate duplicates Z: 18 16.007 1.833 0.713 0.622 0.824 0.765 CB 1.337 18 residues pruned to eliminate duplicates Z: 15 18.357 1.905 0.760 0.737 0.857 0.786 CA 1.380 15 residues pruned to eliminate duplicates Z: 35 30.787 1.941 0.794 0.719 0.912 0.706 CA 1.364 35 residues pruned to eliminate duplicates Z: 27 32.058 1.941 0.831 0.800 0.962 0.654 CB 1.415 27 residues pruned to eliminate duplicates Z: 22 32.848 1.990 1.247 0.795 0.905 0.571 CB 1.368 22 residues pruned to eliminate duplicates Z: 22 38.746 2.074 1.164 0.905 0.952 0.619 CB 1.407 24 residues pruned to eliminate duplicates Z: 23 29.930 1.971 0.900 0.913 0.909 0.636 CB 1.327 23 residues pruned to eliminate duplicates Z: 24 33.789 2.012 1.079 0.884 0.913 0.435 CB 1.333 23 residues pruned to eliminate duplicates Z: 17 24.911 2.075 1.062 0.882 0.750 0.500 CB 1.405 17 residues pruned to eliminate duplicates Z: 21 26.996 1.935 1.138 0.780 0.900 0.350 CB 1.266 21 residues pruned to eliminate duplicates Z: 22 34.171 2.088 1.066 0.879 0.905 0.476 CB 1.385 22 residues pruned to eliminate duplicates Z: 20 31.139 2.114 1.227 0.742 0.947 0.474 CB 1.289 20 residues pruned to eliminate duplicates Z: 23 39.097 2.048 1.092 0.948 1.000 0.682 CB 1.344 23 residues pruned to eliminate duplicates Z: 18 29.359 2.080 1.076 0.819 1.000 0.471 CB 1.250 18 residues pruned to eliminate duplicates Z: 44 27.608 1.944 1.007 0.657 0.860 0.209 CB 1.083 58 residues pruned to eliminate duplicates Z: 12 20.052 1.964 0.663 0.689 1.000 0.636 CA 1.558 19 residues pruned to eliminate duplicates Z: 10 16.543 1.984 0.867 0.631 0.889 0.444 CA 1.480 9 residues pruned to eliminate duplicates Z: 9 14.672 1.765 1.036 0.647 0.875 0.375 N 1.438 10 residues pruned to eliminate duplicates Z: 9 15.909 2.021 0.676 0.779 1.000 0.750 CA 1.298 8 residues pruned to eliminate duplicates Z: 9 18.175 2.002 0.785 0.820 1.000 0.750 CB 1.362 9 residues pruned to eliminate duplicates Z: 22 15.851 1.820 0.657 0.532 0.857 0.524 CB 1.297 22 residues pruned to eliminate duplicates Z: 10 13.186 1.815 0.776 0.805 1.000 0.556 CA 1.045 10 residues pruned to eliminate duplicates Z: 11 19.113 2.155 1.105 0.493 0.900 0.300 CB 1.491 11 residues pruned to eliminate duplicates Z: 35 25.263 1.962 0.526 0.592 0.912 0.618 CB 1.454 35 residues pruned to eliminate duplicates Z: 33 22.566 1.917 0.744 0.513 0.875 0.625 CB 1.345 33 residues pruned to eliminate duplicates Z: 22 17.442 1.911 0.606 0.541 0.857 0.524 CB 1.390 22 residues pruned to eliminate duplicates Z: 26 19.524 1.953 0.665 0.483 0.840 0.480 CB 1.454 26 residues pruned to eliminate duplicates Z: 24 16.262 1.966 0.659 0.507 0.826 0.478 CB 1.249 24 residues pruned to eliminate duplicates Z: 19 21.361 1.897 0.501 0.856 1.000 0.833 CB 1.304 19 residues pruned to eliminate duplicates Z: 12 8.447 1.879 0.343 0.585 0.818 0.727 CB 1.137 12 residues pruned to eliminate duplicates Z: 12 8.831 1.824 0.500 0.576 0.818 0.636 CB 1.105 12 residues pruned to eliminate duplicates Z: 25 17.491 1.851 0.635 0.618 0.958 0.625 CB 1.102 25 residues pruned to eliminate duplicates Z: 17 22.513 1.934 0.900 0.838 1.000 0.438 CB 1.144 17 residues pruned to eliminate duplicates Z: 14 21.842 1.897 1.030 0.759 0.923 0.692 CB 1.353 14 residues pruned to eliminate duplicates Z: 19 25.651 1.903 0.924 0.861 1.000 0.500 CB 1.214 19 residues pruned to eliminate duplicates Z: 15 13.967 1.861 0.853 0.693 0.857 0.500 CB 1.058 13 residues pruned to eliminate duplicates Z: 18 20.669 1.914 0.719 0.920 1.000 0.588 CB 1.073 18 residues pruned to eliminate duplicates Z: 19 18.868 1.850 0.902 0.815 0.944 0.389 CB 1.018 19 residues pruned to eliminate duplicates Z: 18 24.927 1.915 0.919 0.851 1.000 0.588 CB 1.218 19 residues pruned to eliminate duplicates Z: 19 20.988 1.931 0.723 0.895 0.944 0.833 CB 1.129 19 residues pruned to eliminate duplicates Z: 17 24.797 1.926 1.165 0.870 0.938 0.500 CB 1.158 17 residues pruned to eliminate duplicates Z: 16 24.772 1.931 1.149 0.906 1.000 0.533 CB 1.096 16 residues pruned to eliminate duplicates Z: 11 5.516 1.767 0.451 0.374 0.600 0.200 CB 1.297 Z: 7 3.753 1.647 0.235 0.452 0.667 0.500 CB 1.186 6 residues pruned to eliminate duplicates Z: 9 4.704 1.641 0.384 0.481 0.750 0.625 CA 0.995 9 residues pruned to eliminate duplicates Z: 8 7.667 1.655 0.365 0.710 1.000 0.571 CA 1.060 8 residues pruned to eliminate duplicates Z: 43 26.905 1.924 0.687 0.599 0.929 0.643 CB 1.253 30 residues pruned to eliminate duplicates Z: 9 8.892 1.842 0.653 0.501 1.000 0.750 CB 1.031 9 residues pruned to eliminate duplicates Z: 27 15.310 1.930 0.408 0.469 0.846 0.692 CB 1.347 27 residues pruned to eliminate duplicates Z: 22 12.850 2.002 0.248 0.348 0.905 0.619 CB 1.463 22 residues pruned to eliminate duplicates Z: 22 13.810 1.894 0.486 0.371 0.905 0.667 CB 1.358 22 residues pruned to eliminate duplicates Z: 51 25.173 1.877 0.644 0.537 0.880 0.520 CB 1.265 43 residues pruned to eliminate duplicates Z: 17 17.371 1.705 0.492 0.787 1.000 0.750 CA 1.327 17 residues pruned to eliminate duplicates Z: 27 13.696 1.900 0.475 0.418 0.885 0.731 CB 1.180 32 residues pruned to eliminate duplicates Z: 15 18.570 1.788 0.573 0.840 1.000 0.786 CB 1.317 16 residues pruned to eliminate duplicates Z: 15 19.226 1.808 0.630 0.893 0.929 0.714 CB 1.348 15 residues pruned to eliminate duplicates Z: 31 16.459 1.843 0.429 0.395 0.933 0.600 CB 1.366 31 residues pruned to eliminate duplicates Z: 25 15.976 1.984 0.448 0.451 0.875 0.667 CB 1.365 25 residues pruned to eliminate duplicates Z: 22 13.204 1.998 0.327 0.321 0.905 0.524 CB 1.464 22 residues pruned to eliminate duplicates Z: 24 16.768 1.976 0.458 0.471 0.913 0.652 CB 1.369 24 residues pruned to eliminate duplicates Z: 37 19.486 1.947 0.487 0.433 0.861 0.389 CB 1.396 37 residues pruned to eliminate duplicates Z: 22 12.211 1.931 0.329 0.348 0.810 0.667 CB 1.512 22 residues pruned to eliminate duplicates Z: 17 11.149 1.878 0.304 0.422 0.875 0.688 CB 1.411 17 residues pruned to eliminate duplicates Z: 12 6.172 1.555 0.628 0.389 0.818 0.455 CB 1.011 Z: 6 2.162 1.590 0.881 0.165 0.600 0.200 N 0.810 6 residues pruned to eliminate duplicates Z: 22 9.695 1.673 0.582 0.453 0.762 0.190 CB 1.101 26 residues pruned to eliminate duplicates Z: 7 4.122 1.316 0.378 0.490 1.000 0.500 CA 0.938 Z: 29 19.979 1.879 0.603 0.610 0.929 0.643 CB 1.216 36 residues pruned to eliminate duplicates Z: 40 28.985 1.988 0.699 0.642 0.897 0.667 CB 1.340 40 residues pruned to eliminate duplicates Z: 26 22.593 1.912 0.566 0.667 1.000 0.560 CB 1.293 50 residues pruned to eliminate duplicates Z: 17 27.768 2.067 0.654 0.925 1.000 0.938 CB 1.425 17 residues pruned to eliminate duplicates Z: 26 21.261 1.909 0.660 0.675 0.960 0.640 CB 1.189 26 residues pruned to eliminate duplicates Z: 24 27.568 1.925 0.670 0.709 1.000 0.696 CB 1.479 24 residues pruned to eliminate duplicates Z: 25 19.612 1.838 0.523 0.706 1.000 0.708 CA 1.186 25 residues pruned to eliminate duplicates Z: 21 23.690 2.008 0.589 0.811 0.950 0.700 CB 1.333 21 residues pruned to eliminate duplicates Z: 23 24.734 1.970 0.661 0.756 0.955 0.773 CA 1.345 23 residues pruned to eliminate duplicates Z: 25 20.140 1.897 0.568 0.709 0.917 0.667 CB 1.248 25 residues pruned to eliminate duplicates Z: 21 22.323 1.969 0.486 0.769 1.000 0.850 CA 1.345 21 residues pruned to eliminate duplicates Z: 25 23.980 1.869 0.669 0.712 0.958 0.750 CA 1.352 25 residues pruned to eliminate duplicates Z: 21 24.298 1.993 0.639 0.755 0.950 0.700 CB 1.396 21 residues pruned to eliminate duplicates Z: 23 21.116 1.977 0.604 0.763 0.864 0.591 CB 1.301 23 residues pruned to eliminate duplicates Z: 23 30.512 1.961 0.854 0.797 1.000 0.682 CB 1.380 23 residues pruned to eliminate duplicates Z: 22 30.178 2.023 0.867 0.823 1.000 0.619 CB 1.317 22 residues pruned to eliminate duplicates Z: 21 29.587 1.987 0.903 0.803 1.000 0.600 CB 1.343 21 residues pruned to eliminate duplicates Z: 48 33.720 1.975 0.874 0.695 0.936 0.574 CB 1.188 48 residues pruned to eliminate duplicates Z: 43 27.172 2.000 0.620 0.689 0.905 0.690 CB 1.202 43 residues pruned to eliminate duplicates Z: 40 18.360 1.796 0.740 0.471 0.897 0.564 CB 1.080 40 residues pruned to eliminate duplicates Z: 28 19.495 1.931 0.703 0.631 0.852 0.630 CB 1.185 28 residues pruned to eliminate duplicates Z: 22 19.365 1.947 0.832 0.546 0.952 0.286 CB 1.189 22 residues pruned to eliminate duplicates Z: 27 28.544 2.018 0.844 0.719 0.923 0.615 CB 1.337 27 residues pruned to eliminate duplicates Z: 9 9.790 1.920 0.487 0.796 0.875 0.500 CB 1.069 9 residues pruned to eliminate duplicates Z: 12 8.441 1.593 0.821 0.402 0.818 0.364 O 1.189 Z: 6 3.059 1.384 0.794 0.232 0.800 0.600 N 0.941 Z: 15 22.391 1.992 0.758 0.855 0.857 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 15 22.852 2.031 0.506 0.855 0.929 0.714 CB 1.587 15 residues pruned to eliminate duplicates Z: 15 24.105 1.985 0.718 0.838 0.929 0.643 N 1.521 15 residues pruned to eliminate duplicates Z: 14 25.251 2.120 0.554 0.902 0.923 0.923 CB 1.643 14 residues pruned to eliminate duplicates Z: 15 27.198 2.053 0.588 0.863 1.000 0.714 CB 1.636 15 residues pruned to eliminate duplicates Z: 14 27.230 2.102 0.611 0.913 1.000 0.846 CB 1.579 14 residues pruned to eliminate duplicates Z: 13 20.975 2.116 0.395 0.911 0.917 0.833 CB 1.586 13 residues pruned to eliminate duplicates Z: 14 20.520 1.963 0.520 0.728 1.000 0.769 CA 1.553 14 residues pruned to eliminate duplicates Z: 14 20.627 2.036 0.365 0.896 0.923 0.769 CB 1.597 14 residues pruned to eliminate duplicates Z: 15 20.403 2.018 0.447 0.823 1.000 0.857 CB 1.411 15 residues pruned to eliminate duplicates Z: 15 19.645 2.041 0.499 0.770 0.857 0.643 CB 1.577 15 residues pruned to eliminate duplicates Z: 15 18.684 2.044 0.318 0.844 1.000 0.786 CB 1.380 15 residues pruned to eliminate duplicates Z: 15 19.175 2.056 0.296 0.864 0.857 0.643 CB 1.645 15 residues pruned to eliminate duplicates Z: 10 11.576 1.978 0.615 0.704 0.889 0.333 CB 1.129 10 residues pruned to eliminate duplicates Z: 9 17.109 1.996 0.937 0.749 1.000 0.375 CB 1.252 9 residues pruned to eliminate duplicates Z: 10 9.978 1.860 0.511 0.576 0.889 0.556 CA 1.238 10 residues pruned to eliminate duplicates Z: 12 10.436 1.884 0.677 0.529 0.727 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 9 11.029 1.897 0.523 0.657 0.875 0.625 CA 1.333 9 residues pruned to eliminate duplicates Z: 14 7.511 1.679 0.629 0.486 0.692 0.385 CB 1.115 14 residues pruned to eliminate duplicates Z: 17 18.636 1.992 0.614 0.503 0.938 0.625 CA 1.541 20 residues pruned to eliminate duplicates Z: 10 12.694 2.057 0.427 0.655 0.889 0.556 CB 1.404 10 residues pruned to eliminate duplicates Z: 18 10.889 1.922 0.378 0.397 0.765 0.529 CA 1.455 18 residues pruned to eliminate duplicates Z: 23 15.723 1.905 0.448 0.454 0.864 0.545 CB 1.476 23 residues pruned to eliminate duplicates 6 1.880 1.303 0.455 0.469 0.800 0.600 O 0.572 ? Z: 6 2.972 1.866 0.041 0.287 0.800 0.200 N 1.087 6 residues pruned to eliminate duplicates Z: 14 9.007 1.888 0.496 0.302 0.692 0.308 N 1.593 14 residues pruned to eliminate duplicates Z: 9 5.152 1.462 0.341 0.462 0.875 0.375 N 1.104 9 residues pruned to eliminate duplicates Z: 7 4.298 1.614 0.178 0.440 0.833 0.167 N 1.178 7 residues pruned to eliminate duplicates Z: 16 8.087 1.767 0.247 0.232 0.867 0.400 CB 1.494 16 residues pruned to eliminate duplicates Z: 25 17.032 1.922 0.438 0.560 0.917 0.542 CB 1.296 31 residues pruned to eliminate duplicates Z: 17 18.155 1.921 0.530 0.707 1.000 0.688 CB 1.279 17 residues pruned to eliminate duplicates Z: 23 19.915 2.002 0.509 0.591 0.909 0.682 CB 1.418 23 residues pruned to eliminate duplicates Z: 13 20.970 2.028 0.541 0.836 1.000 0.750 CB 1.450 13 residues pruned to eliminate duplicates Z: 28 21.352 1.920 0.540 0.594 1.000 0.667 CB 1.271 26 residues pruned to eliminate duplicates Z: 15 21.338 2.010 0.548 0.813 1.000 0.786 CB 1.396 15 residues pruned to eliminate duplicates Z: 14 16.582 1.922 0.700 0.644 0.923 0.692 CB 1.333 14 residues pruned to eliminate duplicates Z: 27 16.895 1.943 0.418 0.573 0.846 0.654 CB 1.325 27 residues pruned to eliminate duplicates Z: 22 19.210 1.949 0.579 0.483 1.000 0.619 CB 1.386 20 residues pruned to eliminate duplicates Z: 14 19.947 1.877 0.614 0.834 1.000 0.462 CB 1.370 14 residues pruned to eliminate duplicates Z: 21 16.519 1.945 0.470 0.526 0.950 0.650 CB 1.325 21 residues pruned to eliminate duplicates Z: 22 13.055 1.938 0.409 0.466 0.857 0.619 CB 1.259 22 residues pruned to eliminate duplicates Z: 20 17.943 1.984 0.503 0.532 0.947 0.579 CB 1.411 21 residues pruned to eliminate duplicates Z: 13 16.692 1.948 0.868 0.842 0.917 0.417 CB 1.076 13 residues pruned to eliminate duplicates Z: 22 19.231 1.989 0.571 0.498 0.952 0.476 CB 1.412 21 residues pruned to eliminate duplicates Z: 17 16.105 1.936 0.527 0.732 0.938 0.625 CB 1.179 17 residues pruned to eliminate duplicates Z: 25 17.557 1.945 0.567 0.526 0.917 0.542 CB 1.251 26 residues pruned to eliminate duplicates Z: 6 6.332 1.812 0.365 0.439 1.000 0.600 CB 1.220 6 residues pruned to eliminate duplicates Z: 7 3.738 1.484 0.016 0.494 1.000 0.500 N 1.018 7 residues pruned to eliminate duplicates Z: 21 17.078 1.971 0.644 0.475 0.900 0.550 CB 1.342 21 residues pruned to eliminate duplicates Z: 18 13.555 1.822 0.347 0.562 0.941 0.529 CB 1.341 19 residues pruned to eliminate duplicates Z: 7 3.762 1.538 0.205 0.461 1.000 0.833 CB 0.862 7 residues pruned to eliminate duplicates Z: 16 14.332 1.871 0.466 0.581 0.867 0.533 CB 1.440 16 residues pruned to eliminate duplicates Z: 18 11.077 1.806 0.386 0.480 0.824 0.471 CA 1.331 18 residues pruned to eliminate duplicates Z: 16 13.821 1.898 0.468 0.593 0.933 0.800 CB 1.255 16 residues pruned to eliminate duplicates Z: 11 6.345 1.564 0.286 0.638 1.000 0.700 CA 0.877 11 residues pruned to eliminate duplicates Z: 16 12.292 1.845 0.366 0.560 0.933 0.667 CB 1.272 16 residues pruned to eliminate duplicates Z: 16 12.791 1.878 0.362 0.594 0.933 0.667 CB 1.264 16 residues pruned to eliminate duplicates Z: 17 12.552 1.820 0.372 0.564 0.938 0.625 CB 1.260 16 residues pruned to eliminate duplicates Z: 9 6.832 1.640 0.404 0.769 0.750 0.625 CB 1.102 9 residues pruned to eliminate duplicates Z: 18 6.528 1.769 0.258 0.412 0.706 0.647 CB 1.105 17 residues pruned to eliminate duplicates Z: 10 6.856 1.726 0.180 0.570 0.778 0.667 CB 1.348 10 residues pruned to eliminate duplicates 552 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 8 D: 20 E: 29 F: 21 G: 12 H: 15 I: 19 J: 43 K: 42 L: 21 M: 25 N: 16 O: 12 P: 108 Q: 12 R: 15 S: 73 T: 29 U: 17 CC for partial structure against native data = 27.00 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.481, Connect. = 0.684 for dens.mod. cycle 1 = 0.316, Contrast = 0.553, Connect. = 0.709 for dens.mod. cycle 2 = 0.317, Contrast = 0.675, Connect. = 0.756 for dens.mod. cycle 3 = 0.317, Contrast = 0.674, Connect. = 0.758 for dens.mod. cycle 4 = 0.317, Contrast = 0.688, Connect. = 0.760 for dens.mod. cycle 5 = 0.317, Contrast = 0.688, Connect. = 0.762 for dens.mod. cycle 6 = 0.317, Contrast = 0.694, Connect. = 0.764 for dens.mod. cycle 7 = 0.317, Contrast = 0.694, Connect. = 0.765 for dens.mod. cycle 8 = 0.317, Contrast = 0.696, Connect. = 0.767 for dens.mod. cycle 9 = 0.317, Contrast = 0.695, Connect. = 0.768 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.76 - 3.78 - 3.30 - 3.00 - 2.78 - 2.62 - 2.49 - 2.38 - 2.29 - 2.21 0.758 0.770 0.742 0.694 0.626 0.596 0.577 0.531 0.453 0.412 0.880 0.919 0.895 0.847 0.760 0.705 0.672 0.616 0.519 0.469 N 4668 4654 4674 4638 4800 4584 4621 4741 4573 4540 Estimated mean FOM = 0.617 Pseudo-free CC = 61.19 % Best trace (cycle 2 with CC 33.67%) was saved as ./2okc-2.2-parrot-hancs/2okc-2.2-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 6.1 - FFTs and peak-searches 14.0 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1014.5 - Tripeptide search 5664.6 - Chain tracing 0.0 - NCS analysis 55.5 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 17:21:44 Total time: 6755.77 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 113.22 Used memory is bytes: 14271104