++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:44:44 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: ./2itb-2.0-parrot-hancs/2itb-2.0-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2itb-2.0-parrot-hancs/2itb-2.0-parrot-hancs.ins Phases from ./2itb-2.0-parrot-hancs/2itb-2.0-parrot-hancs.phi Native data from ./2itb-2.0-parrot-hancs/2itb-2.0-parrot-hancs.hkl Listing output to ./2itb-2.0-parrot-hancs/2itb-2.0-parrot-hancs.lst Phases output to ./2itb-2.0-parrot-hancs/2itb-2.0-parrot-hancs.phs Poly-Ala trace output to ./2itb-2.0-parrot-hancs/2itb-2.0-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 23367 Reflections read from file ./2itb-2.0-parrot-hancs/2itb-2.0-parrot-hancs.phi 23367 Reflections read from file ./2itb-2.0-parrot-hancs/2itb-2.0-parrot-hancs.hkl 23367 Unique data, highest resolution = 2.050 Angstroms Anisotropic scaling: intensities multiplied by 0.000284h^2 +0.000070k^2 -0.000147l^2 +0.000000kl +0.000000hl +0.000000hk 15 Reflections with d > 2.250 and 0 in range 2.250 > d > 2.050 added Density sharpening factor set to 0.67 Fourier grid = 128 x 128 x 32 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.698 = 0.300, Contrast = 0.217, Connect. = 0.671 for dens.mod. cycle 1 = 0.300, Contrast = 0.280, Connect. = 0.688 for dens.mod. cycle 2 = 0.300, Contrast = 0.371, Connect. = 0.729 for dens.mod. cycle 3 = 0.300, Contrast = 0.406, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.427, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.443, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.453, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.462, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.468, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.473, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1531 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 373 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 26.336 1.929 0.774 0.907 0.964 0.750 CB 1.072 B: 30 30.196 1.929 0.658 0.916 0.966 0.931 CA 1.283 C: 29 34.986 2.012 0.662 0.925 0.964 0.893 CA 1.439 D: 26 37.128 2.008 0.806 0.952 0.960 0.960 CB 1.469 E: 26 40.817 1.999 0.966 0.944 0.960 0.840 CB 1.498 26 residues pruned to eliminate duplicates F: 22 29.005 2.009 0.671 0.934 1.000 0.952 CB 1.315 G: 29 38.447 2.046 0.696 0.929 1.000 0.821 CA 1.465 29 residues pruned to eliminate duplicates H: 25 37.829 2.016 0.873 0.921 1.000 0.625 CB 1.438 27 residues pruned to eliminate duplicates I: 22 32.721 2.029 0.973 0.947 1.000 0.810 CB 1.233 22 residues pruned to eliminate duplicates J: 23 35.496 2.006 1.039 0.925 1.000 0.864 CB 1.298 22 residues pruned to eliminate duplicates K: 26 19.690 1.768 0.637 0.915 1.000 0.800 CB 0.962 L: 37 35.438 1.988 0.755 0.884 0.944 0.806 CB 1.295 M: 23 12.732 1.864 0.410 0.624 0.955 0.636 CB 0.962 N: 28 39.343 2.067 0.736 0.953 0.963 0.889 CA 1.508 28 residues pruned to eliminate duplicates O: 29 43.131 2.056 0.876 0.942 1.000 0.964 CA 1.466 29 residues pruned to eliminate duplicates P: 31 28.254 1.858 0.630 0.828 1.000 0.733 CB 1.283 Q: 28 32.393 1.935 0.750 0.920 1.000 0.741 CA 1.297 28 residues pruned to eliminate duplicates R: 23 30.370 1.921 0.673 0.955 1.000 0.727 CB 1.384 23 residues pruned to eliminate duplicates S: 26 20.045 1.783 0.643 0.923 1.000 0.720 CB 0.961 26 residues pruned to eliminate duplicates T: 27 28.956 1.928 0.602 0.952 0.962 0.885 CA 1.317 27 residues pruned to eliminate duplicates U: 22 28.746 1.885 1.058 0.931 0.952 0.381 CB 1.186 22 residues pruned to eliminate duplicates V: 30 43.498 1.993 0.904 0.918 1.000 0.793 CA 1.500 30 residues pruned to eliminate duplicates W: 27 29.898 1.883 0.643 0.920 1.000 0.846 CA 1.334 X: 22 28.464 1.993 0.611 0.947 1.000 0.905 CB 1.337 22 residues pruned to eliminate duplicates Y: 23 26.058 1.995 0.582 0.937 0.955 0.955 CB 1.283 23 residues pruned to eliminate duplicates Z: 27 27.798 1.908 0.581 0.940 1.000 0.962 CA 1.255 27 residues pruned to eliminate duplicates Z: 28 33.462 1.911 0.824 0.917 0.963 0.778 CA 1.354 28 residues pruned to eliminate duplicates Z: 21 16.311 1.730 0.595 0.857 0.850 0.650 CB 1.146 21 residues pruned to eliminate duplicates Z: 30 40.842 2.016 0.855 0.905 1.000 0.862 CA 1.443 30 residues pruned to eliminate duplicates Z: 29 41.512 1.971 1.023 0.929 1.000 0.643 CB 1.377 28 residues pruned to eliminate duplicates Z: 26 36.819 1.999 0.851 0.951 1.000 1.000 CA 1.371 26 residues pruned to eliminate duplicates Z: 29 32.422 2.039 0.437 0.939 0.964 0.964 CA 1.507 29 residues pruned to eliminate duplicates Z: 31 35.342 1.956 0.793 0.880 0.967 0.900 CA 1.378 31 residues pruned to eliminate duplicates Z: 29 27.509 1.934 0.412 0.919 1.000 0.893 CA 1.342 29 residues pruned to eliminate duplicates Z: 29 54.235 2.065 1.208 0.942 1.000 0.536 CB 1.559 29 residues pruned to eliminate duplicates Z: 27 28.804 1.970 0.453 0.927 1.000 0.962 CA 1.384 27 residues pruned to eliminate duplicates Z: 30 26.084 1.890 0.775 0.913 0.966 0.724 CB 1.058 29 residues pruned to eliminate duplicates Z: 26 31.838 1.899 0.941 0.925 0.920 0.520 CB 1.317 30 residues pruned to eliminate duplicates Z: 25 29.792 1.980 0.537 0.926 0.958 0.833 CB 1.461 25 residues pruned to eliminate duplicates Z: 29 39.330 2.031 0.834 0.950 0.964 0.714 CA 1.428 29 residues pruned to eliminate duplicates Z: 26 19.774 1.775 0.748 0.935 0.960 0.760 CB 0.925 26 residues pruned to eliminate duplicates Z: 69 49.118 2.010 0.652 0.779 0.956 0.853 CA 1.467 60 residues pruned to eliminate duplicates Z: 27 33.722 1.983 0.741 0.945 1.000 0.885 CA 1.325 27 residues pruned to eliminate duplicates Z: 26 38.116 2.043 0.796 0.954 1.000 0.880 CB 1.429 26 residues pruned to eliminate duplicates Z: 20 26.206 2.087 0.437 0.947 1.000 1.000 CB 1.386 20 residues pruned to eliminate duplicates Z: 23 30.265 2.005 0.822 0.950 0.955 0.864 CB 1.275 23 residues pruned to eliminate duplicates Z: 26 42.915 2.015 1.026 0.953 1.000 0.640 CB 1.447 26 residues pruned to eliminate duplicates Z: 29 28.350 1.868 0.502 0.930 1.000 0.929 CA 1.336 27 residues pruned to eliminate duplicates Z: 27 32.547 1.860 0.932 0.921 1.000 0.577 CB 1.250 28 residues pruned to eliminate duplicates Z: 11 14.471 1.857 0.519 0.904 1.000 0.700 CB 1.155 11 residues pruned to eliminate duplicates Z: 28 31.630 1.938 0.717 0.936 0.963 0.741 CB 1.323 28 residues pruned to eliminate duplicates Z: 11 12.300 1.854 0.278 0.888 1.000 1.000 CB 1.183 11 residues pruned to eliminate duplicates Z: 28 36.073 1.950 0.914 0.930 1.000 0.556 CB 1.301 28 residues pruned to eliminate duplicates Z: 28 38.981 1.972 1.101 0.942 1.000 0.889 CB 1.255 28 residues pruned to eliminate duplicates Z: 15 16.218 1.836 0.637 0.826 0.929 0.714 CA 1.171 15 residues pruned to eliminate duplicates Z: 64 42.991 1.987 0.496 0.796 0.984 0.810 CA 1.428 63 residues pruned to eliminate duplicates Z: 27 29.475 1.940 0.464 0.944 0.962 0.923 CA 1.466 26 residues pruned to eliminate duplicates Z: 23 28.949 1.987 0.613 0.935 1.000 0.955 CB 1.342 23 residues pruned to eliminate duplicates Z: 27 42.130 1.994 1.008 0.953 0.962 0.769 CB 1.477 27 residues pruned to eliminate duplicates Z: 12 18.801 1.872 0.676 0.909 1.000 1.000 CA 1.282 10 residues pruned to eliminate duplicates Z: 32 35.366 1.888 0.969 0.859 0.968 0.484 CA 1.299 32 residues pruned to eliminate duplicates Z: 29 29.153 1.880 0.690 0.915 0.964 0.893 CA 1.271 29 residues pruned to eliminate duplicates Z: 47 27.154 1.896 0.424 0.717 0.957 0.783 CB 1.274 49 residues pruned to eliminate duplicates Z: 30 20.740 1.892 0.473 0.925 0.931 0.793 CB 1.041 30 residues pruned to eliminate duplicates Z: 28 35.990 1.946 0.812 0.951 1.000 0.852 CA 1.354 28 residues pruned to eliminate duplicates Z: 29 32.732 1.935 0.767 0.925 1.000 0.821 CB 1.270 29 residues pruned to eliminate duplicates Z: 26 25.406 1.922 0.570 0.938 1.000 0.920 CA 1.171 26 residues pruned to eliminate duplicates Z: 28 24.820 1.857 0.515 0.907 0.963 0.963 CA 1.253 29 residues pruned to eliminate duplicates Z: 29 36.008 2.009 0.682 0.961 1.000 0.893 CA 1.377 29 residues pruned to eliminate duplicates Z: 29 24.509 1.947 0.437 0.889 0.964 0.857 CA 1.236 29 residues pruned to eliminate duplicates Z: 30 47.294 2.020 1.011 0.897 1.000 0.621 CB 1.547 30 residues pruned to eliminate duplicates Z: 30 40.019 2.040 0.794 0.907 1.000 0.793 CA 1.443 30 residues pruned to eliminate duplicates Z: 28 29.083 1.941 0.460 0.956 1.000 1.000 CA 1.356 28 residues pruned to eliminate duplicates Z: 30 35.799 2.005 0.633 0.905 1.000 0.793 CA 1.445 30 residues pruned to eliminate duplicates Z: 27 31.253 1.876 0.926 0.902 0.923 0.500 CB 1.310 27 residues pruned to eliminate duplicates Z: 43 34.315 1.965 0.638 0.765 0.952 0.833 CB 1.366 42 residues pruned to eliminate duplicates Z: 27 33.492 1.891 1.016 0.893 0.923 0.615 CB 1.340 28 residues pruned to eliminate duplicates Z: 26 33.603 1.990 0.595 0.935 1.000 0.840 CB 1.476 26 residues pruned to eliminate duplicates Z: 24 22.427 1.955 0.353 0.896 1.000 0.826 CB 1.266 24 residues pruned to eliminate duplicates Z: 28 33.950 1.953 0.956 0.884 0.926 0.630 CB 1.335 28 residues pruned to eliminate duplicates Z: 11 10.848 1.818 0.527 0.849 1.000 0.800 CB 0.916 11 residues pruned to eliminate duplicates Z: 27 36.082 1.989 0.798 0.959 1.000 0.769 CB 1.356 27 residues pruned to eliminate duplicates Z: 22 26.810 1.841 0.933 0.897 0.905 0.667 CA 1.300 22 residues pruned to eliminate duplicates Z: 29 33.424 1.817 0.895 0.918 0.964 0.607 CA 1.341 29 residues pruned to eliminate duplicates Z: 26 26.194 1.946 0.500 0.929 1.000 0.880 CA 1.256 26 residues pruned to eliminate duplicates Z: 21 19.823 1.771 0.572 0.928 1.000 0.800 CB 1.115 Z: 22 25.764 1.986 0.515 0.939 1.000 0.905 CB 1.299 22 residues pruned to eliminate duplicates Z: 9 13.820 2.088 0.301 0.915 0.875 0.750 CB 1.453 9 residues pruned to eliminate duplicates Z: 34 29.357 1.916 0.477 0.887 0.970 0.818 CB 1.343 34 residues pruned to eliminate duplicates Z: 26 32.965 1.894 0.850 0.948 1.000 0.760 CB 1.299 26 residues pruned to eliminate duplicates Z: 11 14.062 1.901 0.598 0.833 1.000 0.800 CB 1.098 11 residues pruned to eliminate duplicates Z: 26 29.525 1.925 0.725 0.900 0.960 0.720 CB 1.323 26 residues pruned to eliminate duplicates Z: 27 33.352 1.993 0.581 0.960 1.000 0.885 CB 1.422 27 residues pruned to eliminate duplicates Z: 22 32.540 2.010 0.953 0.945 1.000 0.762 CB 1.251 22 residues pruned to eliminate duplicates Z: 20 19.565 1.800 0.590 0.901 1.000 0.789 CB 1.120 20 residues pruned to eliminate duplicates Z: 17 18.717 1.905 0.367 0.894 1.000 0.875 CA 1.289 17 residues pruned to eliminate duplicates Z: 28 38.212 1.962 0.902 0.949 1.000 0.778 CA 1.360 28 residues pruned to eliminate duplicates Z: 10 9.628 1.891 0.242 0.898 1.000 0.667 CB 0.977 10 residues pruned to eliminate duplicates Z: 30 46.441 1.991 1.044 0.908 1.000 0.621 CB 1.505 30 residues pruned to eliminate duplicates Z: 21 35.050 1.936 1.043 0.916 0.950 0.450 CA 1.472 21 residues pruned to eliminate duplicates Z: 57 41.975 1.940 0.924 0.722 0.929 0.554 CB 1.325 57 residues pruned to eliminate duplicates Z: 29 29.823 1.982 0.597 0.867 0.964 0.857 CA 1.351 29 residues pruned to eliminate duplicates Z: 27 29.043 1.873 0.730 0.923 0.962 0.808 CA 1.284 27 residues pruned to eliminate duplicates Z: 29 22.407 1.900 0.546 0.931 0.964 0.786 CB 1.044 29 residues pruned to eliminate duplicates Z: 26 33.676 2.002 0.692 0.935 1.000 0.880 CB 1.385 26 residues pruned to eliminate duplicates Z: 25 16.893 1.759 0.638 0.945 0.958 0.792 CB 0.864 25 residues pruned to eliminate duplicates Z: 31 26.050 1.885 0.514 0.864 0.967 0.833 CA 1.263 31 residues pruned to eliminate duplicates Z: 37 36.395 1.974 0.696 0.897 0.972 0.861 CB 1.334 37 residues pruned to eliminate duplicates Z: 29 39.956 1.987 0.954 0.908 1.000 0.750 CA 1.382 29 residues pruned to eliminate duplicates Z: 10 13.617 1.835 0.621 0.904 1.000 0.889 CB 1.087 10 residues pruned to eliminate duplicates Z: 27 25.050 1.881 0.625 0.884 0.962 0.808 CB 1.208 27 residues pruned to eliminate duplicates Z: 26 21.646 1.779 0.863 0.936 1.000 0.680 CB 0.909 26 residues pruned to eliminate duplicates Z: 26 20.925 1.793 0.698 0.933 1.000 0.680 CB 0.960 26 residues pruned to eliminate duplicates Z: 23 25.189 1.967 0.359 0.946 1.000 0.955 CA 1.389 23 residues pruned to eliminate duplicates Z: 37 34.396 1.960 0.736 0.905 0.972 0.611 CB 1.234 37 residues pruned to eliminate duplicates Z: 30 43.187 2.012 0.878 0.919 1.000 0.759 CA 1.496 30 residues pruned to eliminate duplicates Z: 30 23.022 1.885 0.807 0.917 0.931 0.690 CB 0.951 30 residues pruned to eliminate duplicates Z: 25 24.473 1.941 0.560 0.876 0.958 0.917 CB 1.251 25 residues pruned to eliminate duplicates Z: 26 30.057 1.939 0.762 0.922 0.960 0.800 CA 1.289 26 residues pruned to eliminate duplicates Z: 6 3.569 1.578 0.624 0.441 1.000 0.800 CB 0.662 Z: 28 41.268 1.915 1.069 0.941 1.000 0.778 CA 1.391 28 residues pruned to eliminate duplicates Z: 27 10.330 1.777 0.311 0.486 0.846 0.538 CB 1.042 27 residues pruned to eliminate duplicates Z: 25 21.720 1.812 0.749 0.933 1.000 0.500 CB 0.976 25 residues pruned to eliminate duplicates Z: 27 34.638 1.875 0.990 0.910 0.962 0.538 CB 1.343 27 residues pruned to eliminate duplicates Z: 27 38.590 1.956 1.019 0.952 0.962 0.615 CB 1.373 27 residues pruned to eliminate duplicates Z: 20 23.168 1.869 0.890 0.927 0.947 0.684 CB 1.113 20 residues pruned to eliminate duplicates Z: 21 25.016 1.912 0.934 0.927 0.950 0.700 CB 1.115 21 residues pruned to eliminate duplicates Z: 26 18.980 1.775 0.630 0.932 1.000 0.640 CB 0.916 26 residues pruned to eliminate duplicates Z: 28 37.828 2.031 0.891 0.876 0.963 0.741 CA 1.431 28 residues pruned to eliminate duplicates Z: 25 16.128 1.750 0.334 0.934 1.000 0.750 CB 0.984 25 residues pruned to eliminate duplicates Z: 11 12.969 1.921 0.427 0.830 1.000 0.900 CB 1.125 11 residues pruned to eliminate duplicates Z: 28 27.629 1.849 0.766 0.907 0.926 0.889 CA 1.250 28 residues pruned to eliminate duplicates Z: 31 40.794 1.978 0.800 0.910 1.000 0.633 CB 1.484 31 residues pruned to eliminate duplicates Z: 21 18.932 1.792 0.584 0.909 0.950 0.800 CB 1.114 21 residues pruned to eliminate duplicates Z: 20 29.234 1.950 0.765 0.941 0.947 0.632 CB 1.427 20 residues pruned to eliminate duplicates Z: 28 28.471 1.874 0.644 0.918 1.000 0.889 CA 1.254 28 residues pruned to eliminate duplicates Z: 21 21.851 1.757 0.834 0.907 1.000 0.800 CB 1.078 22 residues pruned to eliminate duplicates Z: 11 20.194 1.900 1.147 0.776 0.900 0.800 CB 1.364 10 residues pruned to eliminate duplicates Z: 30 31.851 1.785 0.872 0.910 0.966 0.759 CB 1.300 28 residues pruned to eliminate duplicates Z: 28 51.803 2.068 1.113 0.966 1.000 0.370 CB 1.556 28 residues pruned to eliminate duplicates Z: 26 40.865 2.033 1.011 0.955 1.000 0.560 CB 1.374 26 residues pruned to eliminate duplicates Z: 7 6.459 1.758 0.376 0.859 1.000 0.500 CB 0.802 7 residues pruned to eliminate duplicates Z: 22 16.951 1.710 0.631 0.882 0.952 0.762 CB 1.008 22 residues pruned to eliminate duplicates Z: 25 21.263 1.857 0.330 0.915 1.000 0.792 CB 1.242 25 residues pruned to eliminate duplicates Z: 27 31.623 1.884 0.829 0.883 1.000 0.731 CB 1.302 27 residues pruned to eliminate duplicates Z: 27 40.904 1.978 1.002 0.942 0.962 0.692 CB 1.460 29 residues pruned to eliminate duplicates Z: 25 17.244 1.786 0.473 0.940 1.000 0.708 CB 0.929 25 residues pruned to eliminate duplicates Z: 28 35.664 1.871 0.915 0.926 1.000 0.630 CB 1.344 28 residues pruned to eliminate duplicates Z: 30 20.313 1.863 0.562 0.923 0.966 0.517 CB 0.944 30 residues pruned to eliminate duplicates Z: 29 46.467 2.047 1.074 0.921 1.000 0.464 CB 1.456 29 residues pruned to eliminate duplicates Z: 28 31.823 1.936 0.708 0.939 1.000 0.481 CB 1.287 28 residues pruned to eliminate duplicates Z: 27 40.052 1.974 0.841 0.960 1.000 0.962 CA 1.481 28 residues pruned to eliminate duplicates Z: 27 37.265 1.951 0.954 0.926 0.962 0.423 CB 1.398 27 residues pruned to eliminate duplicates Z: 25 17.393 1.872 0.449 0.924 1.000 0.833 CB 0.919 25 residues pruned to eliminate duplicates Z: 30 39.568 2.013 0.816 0.904 0.966 0.621 CB 1.483 30 residues pruned to eliminate duplicates Z: 30 36.313 1.973 0.817 0.890 1.000 0.793 CB 1.353 30 residues pruned to eliminate duplicates Z: 29 23.073 1.936 0.515 0.923 0.964 0.750 CB 1.083 29 residues pruned to eliminate duplicates Z: 29 33.185 1.943 1.016 0.846 0.893 0.464 CB 1.332 26 residues pruned to eliminate duplicates Z: 25 27.321 1.966 0.648 0.904 0.958 0.917 CA 1.279 25 residues pruned to eliminate duplicates Z: 29 44.282 1.999 1.092 0.891 1.000 0.536 CB 1.439 29 residues pruned to eliminate duplicates Z: 22 29.731 2.071 0.591 0.954 1.000 0.952 CA 1.354 22 residues pruned to eliminate duplicates Z: 12 8.837 1.684 0.403 0.766 0.818 0.727 CB 1.089 Z: 29 32.814 1.817 1.064 0.902 0.929 0.429 CB 1.270 29 residues pruned to eliminate duplicates Z: 27 35.645 1.954 0.782 0.949 0.962 0.885 CA 1.442 26 residues pruned to eliminate duplicates Z: 28 20.740 1.889 0.295 0.916 1.000 0.778 CB 1.153 29 residues pruned to eliminate duplicates Z: 9 15.131 1.857 0.997 0.801 0.875 0.625 CA 1.268 11 residues pruned to eliminate duplicates Z: 21 18.686 1.802 0.800 0.906 0.900 0.750 CB 1.018 21 residues pruned to eliminate duplicates Z: 26 29.454 1.891 0.608 0.939 1.000 0.880 CA 1.345 26 residues pruned to eliminate duplicates Z: 27 27.733 1.881 0.602 0.924 1.000 0.885 CA 1.268 27 residues pruned to eliminate duplicates Z: 30 27.951 1.803 0.765 0.891 0.931 0.759 CA 1.260 30 residues pruned to eliminate duplicates Z: 29 28.212 1.926 0.619 0.902 1.000 0.857 CA 1.220 29 residues pruned to eliminate duplicates Z: 20 17.151 1.805 0.482 0.813 1.000 0.947 CB 1.120 18 residues pruned to eliminate duplicates Z: 28 29.816 1.787 1.019 0.919 0.963 0.444 CB 1.165 28 residues pruned to eliminate duplicates Z: 6 5.215 1.690 0.117 0.786 1.000 0.600 CB 0.961 6 residues pruned to eliminate duplicates Z: 24 24.724 1.916 0.620 0.939 0.957 0.913 CB 1.206 24 residues pruned to eliminate duplicates Z: 30 37.508 1.967 0.850 0.936 1.000 0.828 CB 1.332 30 residues pruned to eliminate duplicates Z: 25 17.839 1.786 0.500 0.947 1.000 0.875 CB 0.940 25 residues pruned to eliminate duplicates Z: 26 14.575 1.727 0.199 0.948 1.000 0.840 CB 0.972 25 residues pruned to eliminate duplicates Z: 29 21.573 1.910 0.362 0.925 0.964 0.786 CB 1.140 29 residues pruned to eliminate duplicates Z: 28 37.788 2.018 0.975 0.894 1.000 0.519 CB 1.308 28 residues pruned to eliminate duplicates Z: 30 31.682 1.777 0.944 0.923 0.931 0.621 CB 1.285 30 residues pruned to eliminate duplicates Z: 21 19.811 1.805 0.631 0.911 0.950 0.850 CB 1.122 21 residues pruned to eliminate duplicates Z: 9 7.550 1.808 0.439 0.867 1.000 0.625 CB 0.751 9 residues pruned to eliminate duplicates Z: 6 2.573 1.447 0.892 0.534 0.600 0.400 N 0.677 Z: 29 22.623 1.867 0.815 0.901 0.929 0.607 CB 0.970 29 residues pruned to eliminate duplicates Z: 10 15.886 1.960 0.862 0.843 0.889 0.667 CB 1.215 10 residues pruned to eliminate duplicates Z: 22 29.974 2.047 0.743 0.952 0.952 0.857 CB 1.325 22 residues pruned to eliminate duplicates Z: 29 34.859 1.829 1.060 0.899 0.964 0.571 CA 1.297 29 residues pruned to eliminate duplicates Z: 23 26.172 1.963 0.686 0.925 0.955 0.864 CB 1.240 23 residues pruned to eliminate duplicates Z: 29 20.458 1.892 0.437 0.913 0.964 0.786 CB 1.043 29 residues pruned to eliminate duplicates Z: 25 16.989 1.905 0.303 0.899 0.958 0.667 CB 1.042 25 residues pruned to eliminate duplicates Z: 28 40.594 1.932 1.079 0.940 0.963 0.481 CB 1.403 27 residues pruned to eliminate duplicates Z: 27 36.499 1.936 1.051 0.931 0.923 0.500 CB 1.365 27 residues pruned to eliminate duplicates Z: 11 16.379 1.934 0.714 0.795 1.000 0.600 CB 1.206 11 residues pruned to eliminate duplicates Z: 28 34.588 1.834 0.959 0.932 0.963 0.593 CB 1.344 28 residues pruned to eliminate duplicates Z: 29 21.765 1.899 0.462 0.918 0.929 0.821 CB 1.125 29 residues pruned to eliminate duplicates Z: 28 28.646 1.863 0.764 0.873 0.926 0.630 CB 1.319 34 residues pruned to eliminate duplicates Z: 28 24.209 1.909 0.759 0.922 0.963 0.667 CB 1.013 28 residues pruned to eliminate duplicates Z: 29 23.542 1.908 0.698 0.916 0.929 0.714 CB 1.045 29 residues pruned to eliminate duplicates Z: 6 2.521 1.431 -0.339 0.458 1.000 0.600 CB 1.244 6 residues pruned to eliminate duplicates Z: 24 34.605 1.891 0.996 0.940 0.957 0.652 CB 1.388 24 residues pruned to eliminate duplicates Z: 30 24.415 1.851 0.734 0.920 0.966 0.586 CB 1.030 30 residues pruned to eliminate duplicates Z: 29 31.682 1.942 0.609 0.928 1.000 0.893 CB 1.341 29 residues pruned to eliminate duplicates Z: 6 6.419 1.504 1.076 0.770 0.800 0.600 CB 0.905 6 residues pruned to eliminate duplicates Z: 10 12.077 1.901 0.210 0.915 1.000 1.000 CB 1.237 10 residues pruned to eliminate duplicates Z: 26 25.594 1.887 0.685 0.927 0.920 0.680 CB 1.226 26 residues pruned to eliminate duplicates Z: 28 54.575 2.054 1.272 0.953 1.000 0.519 CA 1.550 28 residues pruned to eliminate duplicates Z: 22 14.067 1.641 0.668 0.893 0.905 0.429 CB 0.890 22 residues pruned to eliminate duplicates Z: 6 3.486 1.299 0.257 0.683 1.000 0.600 N 0.807 Z: 20 20.575 1.844 0.664 0.924 0.947 0.895 CB 1.140 20 residues pruned to eliminate duplicates Z: 7 3.858 1.549 -0.063 0.764 0.833 0.833 CA 1.030 7 residues pruned to eliminate duplicates Z: 29 30.063 1.931 0.649 0.872 1.000 0.714 CA 1.300 29 residues pruned to eliminate duplicates Z: 27 42.229 1.971 0.978 0.946 1.000 0.692 CB 1.469 27 residues pruned to eliminate duplicates Z: 29 46.368 2.018 1.006 0.948 0.964 0.643 CA 1.550 29 residues pruned to eliminate duplicates Z: 28 35.679 1.944 0.983 0.933 0.926 0.593 CB 1.343 28 residues pruned to eliminate duplicates Z: 30 34.345 1.942 0.874 0.875 0.966 0.655 CA 1.320 30 residues pruned to eliminate duplicates Z: 20 21.440 1.784 0.745 0.914 1.000 0.895 CB 1.117 20 residues pruned to eliminate duplicates Z: 12 4.896 1.599 0.620 0.493 0.909 0.545 CB 0.631 12 residues pruned to eliminate duplicates Z: 11 21.730 1.972 0.817 0.881 1.000 0.700 CA 1.389 11 residues pruned to eliminate duplicates Z: 27 38.835 1.943 0.987 0.945 1.000 0.500 CB 1.365 27 residues pruned to eliminate duplicates Z: 28 49.772 2.062 1.176 0.951 0.963 0.370 CB 1.527 28 residues pruned to eliminate duplicates Z: 24 14.982 1.899 0.431 0.893 0.870 0.739 CB 0.949 24 residues pruned to eliminate duplicates Z: 27 39.745 1.932 0.988 0.941 1.000 0.654 CB 1.408 28 residues pruned to eliminate duplicates Z: 19 25.266 1.875 0.882 0.943 1.000 0.833 CB 1.169 20 residues pruned to eliminate duplicates Z: 24 25.404 1.856 0.746 0.934 0.957 0.478 CB 1.192 24 residues pruned to eliminate duplicates Z: 23 30.503 1.929 0.907 0.951 1.000 0.909 CB 1.218 23 residues pruned to eliminate duplicates Z: 21 19.701 1.833 0.590 0.918 0.950 0.800 CB 1.122 21 residues pruned to eliminate duplicates Z: 28 29.514 1.916 0.991 0.892 0.852 0.593 CB 1.256 28 residues pruned to eliminate duplicates Z: 10 17.134 1.685 1.049 0.913 1.000 0.444 CB 1.170 10 residues pruned to eliminate duplicates Z: 25 22.334 1.968 0.630 0.866 0.792 0.583 CA 1.314 25 residues pruned to eliminate duplicates Z: 27 36.756 1.898 1.027 0.945 1.000 0.577 CB 1.297 27 residues pruned to eliminate duplicates Z: 27 31.160 1.824 0.924 0.941 0.962 0.654 CB 1.257 27 residues pruned to eliminate duplicates Z: 28 27.222 1.944 0.518 0.916 0.963 0.889 CA 1.303 28 residues pruned to eliminate duplicates Z: 23 13.951 1.755 0.586 0.533 0.818 0.636 CB 1.265 23 residues pruned to eliminate duplicates Z: 27 33.919 1.878 0.920 0.927 0.962 0.692 CB 1.345 27 residues pruned to eliminate duplicates Z: 28 22.432 1.870 0.379 0.882 0.963 0.741 CA 1.258 28 residues pruned to eliminate duplicates Z: 29 43.254 2.034 0.869 0.941 0.964 0.607 CB 1.548 29 residues pruned to eliminate duplicates Z: 18 19.516 1.854 0.599 0.906 1.000 0.647 CB 1.136 20 residues pruned to eliminate duplicates Z: 22 17.466 1.732 0.463 0.900 0.952 0.810 CB 1.128 22 residues pruned to eliminate duplicates Z: 29 28.244 1.836 0.648 0.917 0.964 0.821 CA 1.291 29 residues pruned to eliminate duplicates Z: 13 17.533 1.804 0.683 0.891 0.833 0.250 CA 1.438 13 residues pruned to eliminate duplicates Z: 6 5.808 1.828 0.242 0.489 0.800 0.800 CB 1.447 Z: 26 40.191 1.971 0.971 0.950 1.000 0.520 CB 1.426 26 residues pruned to eliminate duplicates Z: 12 4.554 1.418 0.627 0.522 0.909 0.727 CB 0.641 9 residues pruned to eliminate duplicates Z: 8 2.391 1.398 0.222 0.327 0.857 0.429 CB 0.746 Z: 27 29.129 1.788 1.017 0.945 0.962 0.346 CB 1.140 27 residues pruned to eliminate duplicates Z: 29 20.495 1.916 0.485 0.922 0.893 0.786 CB 1.072 29 residues pruned to eliminate duplicates Z: 20 21.630 1.837 0.458 0.932 1.000 0.947 CA 1.294 20 residues pruned to eliminate duplicates Z: 29 20.474 1.907 0.614 0.924 0.929 0.536 CB 0.950 29 residues pruned to eliminate duplicates Z: 7 4.576 1.430 0.541 0.270 1.000 0.667 CB 1.100 Z: 9 12.544 1.901 0.450 0.833 0.875 0.875 CB 1.380 9 residues pruned to eliminate duplicates Z: 18 27.680 1.842 1.187 0.849 0.941 0.412 CB 1.314 18 residues pruned to eliminate duplicates Z: 21 13.736 1.855 0.468 0.921 0.950 0.750 CB 0.836 21 residues pruned to eliminate duplicates Z: 29 32.459 1.991 0.574 0.907 1.000 0.893 CA 1.391 29 residues pruned to eliminate duplicates Z: 29 36.952 1.969 1.017 0.910 0.964 0.821 CB 1.293 29 residues pruned to eliminate duplicates Z: 9 7.580 1.476 0.741 0.870 0.875 0.875 CB 0.870 Z: 9 8.306 1.812 0.600 0.365 0.875 0.750 CB 1.338 9 residues pruned to eliminate duplicates Z: 18 18.284 1.772 0.854 0.921 0.882 0.765 CB 1.076 18 residues pruned to eliminate duplicates Z: 10 5.219 1.474 0.630 0.913 1.000 0.444 CB 0.512 10 residues pruned to eliminate duplicates Z: 9 5.133 1.305 0.545 0.458 0.875 0.375 CB 1.074 9 residues pruned to eliminate duplicates Z: 25 23.285 1.826 0.834 0.933 1.000 0.667 CB 0.990 27 residues pruned to eliminate duplicates Z: 12 18.508 1.887 0.842 0.852 0.727 0.545 CB 1.633 12 residues pruned to eliminate duplicates Z: 31 23.014 1.796 0.530 0.840 0.933 0.800 CB 1.222 31 residues pruned to eliminate duplicates Z: 9 11.694 1.986 0.703 0.897 0.875 0.500 CB 1.000 9 residues pruned to eliminate duplicates Z: 29 22.091 1.894 0.559 0.911 0.964 0.679 CB 1.039 29 residues pruned to eliminate duplicates Z: 11 13.608 1.814 0.653 0.906 1.000 0.700 CB 1.021 11 residues pruned to eliminate duplicates Z: 7 4.890 1.287 0.546 0.804 1.000 0.667 CB 0.770 Z: 24 27.916 1.894 0.792 0.922 1.000 0.870 CB 1.206 24 residues pruned to eliminate duplicates Z: 14 22.381 1.916 1.015 0.729 0.846 0.769 CA 1.547 20 residues pruned to eliminate duplicates Z: 18 13.645 1.885 0.519 0.654 0.941 0.588 CB 1.064 18 residues pruned to eliminate duplicates Z: 19 26.940 1.805 1.136 0.948 1.000 0.444 CB 1.138 19 residues pruned to eliminate duplicates Z: 23 11.269 1.774 0.381 0.612 0.909 0.500 CB 0.970 23 residues pruned to eliminate duplicates Z: 30 42.420 1.978 1.008 0.907 0.966 0.517 CA 1.461 30 residues pruned to eliminate duplicates Z: 7 4.046 1.510 0.179 0.757 0.833 0.500 CA 0.886 7 residues pruned to eliminate duplicates Z: 28 28.224 1.920 0.927 0.816 0.852 0.444 CB 1.309 28 residues pruned to eliminate duplicates Z: 20 27.920 2.002 0.855 0.729 0.947 0.368 CB 1.482 24 residues pruned to eliminate duplicates Z: 29 35.963 2.049 0.544 0.943 1.000 0.929 CA 1.488 29 residues pruned to eliminate duplicates Z: 17 21.542 1.945 1.035 0.796 0.875 0.562 CB 1.200 17 residues pruned to eliminate duplicates Z: 12 9.532 1.769 0.430 0.757 0.909 0.727 CB 0.994 12 residues pruned to eliminate duplicates Z: 28 36.650 1.906 0.823 0.942 1.000 0.704 CA 1.408 28 residues pruned to eliminate duplicates Z: 28 39.035 1.928 1.122 0.944 1.000 0.296 CB 1.272 28 residues pruned to eliminate duplicates Z: 28 27.976 1.834 0.773 0.898 0.926 0.593 CA 1.279 28 residues pruned to eliminate duplicates Z: 30 16.983 1.865 0.247 0.931 0.966 0.759 CB 0.981 30 residues pruned to eliminate duplicates Z: 20 9.399 1.756 0.346 0.403 0.895 0.474 CB 1.129 20 residues pruned to eliminate duplicates Z: 25 13.636 1.801 0.378 0.586 0.958 0.667 CB 1.078 25 residues pruned to eliminate duplicates Z: 34 34.623 1.959 0.892 0.700 1.000 0.727 CB 1.355 35 residues pruned to eliminate duplicates Z: 25 17.802 1.769 0.524 0.938 1.000 0.708 CB 0.937 25 residues pruned to eliminate duplicates Z: 36 32.758 1.956 0.649 0.857 0.914 0.829 CB 1.384 36 residues pruned to eliminate duplicates Z: 29 24.651 1.806 0.647 0.902 0.929 0.893 CA 1.203 29 residues pruned to eliminate duplicates Z: 29 24.048 1.892 0.511 0.857 0.893 0.786 CB 1.312 29 residues pruned to eliminate duplicates Z: 9 9.893 1.780 0.624 0.855 0.875 0.750 CB 1.021 9 residues pruned to eliminate duplicates Z: 7 5.767 1.180 0.582 0.756 1.000 0.500 CA 1.004 6 residues pruned to eliminate duplicates Z: 29 34.680 1.829 0.982 0.912 1.000 0.786 CA 1.280 29 residues pruned to eliminate duplicates Z: 54 34.358 1.929 0.708 0.826 0.943 0.717 CB 1.145 48 residues pruned to eliminate duplicates Z: 6 5.341 1.741 0.747 0.162 1.000 0.400 CA 1.185 Z: 62 52.773 1.982 1.058 0.756 0.984 0.574 CB 1.341 65 residues pruned to eliminate duplicates Z: 14 20.216 1.909 0.959 0.891 0.923 0.462 CB 1.168 14 residues pruned to eliminate duplicates Z: 6 4.396 1.574 0.381 0.406 0.800 0.400 O 1.247 6 residues pruned to eliminate duplicates Z: 11 14.212 1.902 0.555 0.790 1.000 0.700 CB 1.178 11 residues pruned to eliminate duplicates Z: 35 35.464 1.927 0.923 0.843 0.971 0.647 CB 1.259 35 residues pruned to eliminate duplicates Z: 25 27.888 1.890 1.089 0.675 0.917 0.292 CB 1.339 25 residues pruned to eliminate duplicates Z: 34 18.913 1.735 0.535 0.779 0.970 0.606 CB 0.997 34 residues pruned to eliminate duplicates Z: 21 22.943 1.737 1.015 0.911 1.000 0.500 CB 1.039 21 residues pruned to eliminate duplicates Z: 18 23.274 1.858 0.894 0.948 1.000 0.882 CB 1.108 18 residues pruned to eliminate duplicates 7 1.546 1.354 -0.057 0.083 0.833 0.500 C 1.017 ? Z: 32 35.609 1.939 0.703 0.872 1.000 0.839 CA 1.411 32 residues pruned to eliminate duplicates Z: 21 31.875 2.044 0.942 0.951 1.000 0.900 CB 1.238 21 residues pruned to eliminate duplicates 330 residues left after pruning, divided into chains as follows: A: 13 B: 27 C: 25 D: 65 E: 181 F: 19 CC for partial structure against native data = 44.46 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.340, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.388, Connect. = 0.731 for dens.mod. cycle 2 = 0.300, Contrast = 0.462, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.467, Connect. = 0.760 for dens.mod. cycle 4 = 0.300, Contrast = 0.476, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.481, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.487, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.490, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.494, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.496, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1640 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 382 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 26.353 1.960 0.431 0.918 0.964 0.929 CB 1.299 B: 31 30.082 1.932 0.610 0.926 0.933 0.933 CB 1.327 29 residues pruned to eliminate duplicates C: 14 32.373 2.272 0.759 0.946 1.000 0.923 CA 1.553 D: 23 31.276 2.048 0.636 0.926 1.000 0.955 CB 1.395 E: 28 30.586 2.086 0.392 0.878 0.963 0.889 CA 1.528 F: 28 34.317 2.043 0.753 0.932 0.963 0.630 CB 1.337 30 residues pruned to eliminate duplicates G: 24 37.339 2.082 0.842 0.900 1.000 0.870 CB 1.451 23 residues pruned to eliminate duplicates H: 27 24.609 1.969 0.270 0.938 0.962 0.923 CA 1.397 27 residues pruned to eliminate duplicates I: 23 27.577 2.073 0.507 0.922 0.955 0.909 CB 1.386 23 residues pruned to eliminate duplicates J: 25 34.124 2.068 0.699 0.950 0.958 0.792 CB 1.427 14 residues pruned to eliminate duplicates K: 30 31.052 1.971 0.765 0.912 0.966 0.517 CB 1.216 L: 30 33.526 2.064 0.393 0.930 1.000 0.897 CA 1.514 M: 24 42.801 2.065 1.070 0.922 1.000 0.565 CB 1.469 24 residues pruned to eliminate duplicates N: 29 30.934 1.994 0.470 0.946 1.000 1.000 CB 1.379 29 residues pruned to eliminate duplicates O: 11 14.739 1.980 0.387 0.869 0.900 0.800 CB 1.378 11 residues pruned to eliminate duplicates P: 28 30.702 1.990 0.788 0.896 0.889 0.444 CB 1.339 Q: 23 27.542 2.036 0.464 0.922 1.000 1.000 CB 1.385 23 residues pruned to eliminate duplicates R: 30 49.726 2.055 1.025 0.916 0.966 0.517 CB 1.622 31 residues pruned to eliminate duplicates S: 40 32.730 2.066 0.277 0.843 0.949 0.718 CA 1.559 28 residues pruned to eliminate duplicates T: 18 21.542 1.840 0.742 0.943 1.000 0.706 CA 1.129 U: 19 18.918 1.864 0.540 0.918 0.944 0.889 CB 1.160 V: 30 41.555 2.102 0.693 0.923 1.000 0.862 CA 1.524 30 residues pruned to eliminate duplicates W: 31 32.938 2.009 0.541 0.888 1.000 0.867 CA 1.400 31 residues pruned to eliminate duplicates X: 10 13.522 2.040 0.315 0.877 1.000 0.778 CA 1.220 Y: 27 28.364 1.944 0.740 0.873 0.923 0.577 CB 1.297 27 residues pruned to eliminate duplicates Z: 29 43.086 2.153 0.777 0.905 1.000 0.821 CA 1.514 29 residues pruned to eliminate duplicates Z: 23 39.209 2.078 1.127 0.950 0.955 0.773 CB 1.367 23 residues pruned to eliminate duplicates Z: 25 34.847 2.010 0.900 0.894 0.958 0.792 CB 1.395 25 residues pruned to eliminate duplicates Z: 30 39.147 2.070 0.632 0.933 1.000 0.862 CA 1.502 30 residues pruned to eliminate duplicates Z: 12 16.847 1.921 0.450 0.822 1.000 0.636 CB 1.379 12 residues pruned to eliminate duplicates Z: 27 23.340 1.993 0.211 0.918 0.962 0.923 CB 1.390 27 residues pruned to eliminate duplicates Z: 26 36.405 2.056 0.759 0.946 1.000 0.880 CB 1.392 25 residues pruned to eliminate duplicates Z: 30 47.127 2.039 1.066 0.897 0.931 0.345 CB 1.598 30 residues pruned to eliminate duplicates Z: 17 12.961 1.698 0.500 0.658 0.938 0.812 CB 1.172 Z: 29 54.709 2.103 1.073 0.947 1.000 0.321 CB 1.639 29 residues pruned to eliminate duplicates Z: 19 19.338 2.004 0.429 0.792 0.889 0.722 CA 1.386 18 residues pruned to eliminate duplicates Z: 29 54.747 2.159 1.035 0.937 1.000 0.571 CB 1.639 29 residues pruned to eliminate duplicates Z: 24 34.518 2.074 0.821 0.916 1.000 0.826 CB 1.346 24 residues pruned to eliminate duplicates Z: 17 19.175 1.979 0.545 0.835 0.875 0.688 CA 1.342 18 residues pruned to eliminate duplicates Z: 18 27.367 2.036 0.550 0.952 1.000 0.882 CA 1.449 17 residues pruned to eliminate duplicates Z: 24 20.046 1.795 0.476 0.946 1.000 0.870 CB 1.091 17 residues pruned to eliminate duplicates Z: 29 51.835 2.153 0.939 0.927 1.000 0.500 CA 1.644 29 residues pruned to eliminate duplicates Z: 27 35.640 1.959 0.738 0.924 1.000 0.731 CB 1.442 Z: 20 26.899 2.074 0.732 0.944 0.895 0.632 CB 1.330 21 residues pruned to eliminate duplicates Z: 31 32.966 2.040 0.467 0.865 0.967 0.800 CA 1.524 31 residues pruned to eliminate duplicates Z: 30 28.971 2.057 0.297 0.878 1.000 0.862 CA 1.463 30 residues pruned to eliminate duplicates Z: 21 33.088 2.140 0.876 0.940 0.950 0.750 CB 1.347 21 residues pruned to eliminate duplicates Z: 20 22.555 1.937 0.631 0.873 0.895 0.789 CB 1.333 20 residues pruned to eliminate duplicates Z: 20 17.050 2.028 0.410 0.697 0.895 0.632 CB 1.277 10 residues pruned to eliminate duplicates Z: 10 13.738 2.046 0.221 0.860 1.000 0.667 CB 1.348 10 residues pruned to eliminate duplicates Z: 28 42.832 2.125 0.869 0.901 0.963 0.704 CB 1.538 38 residues pruned to eliminate duplicates Z: 28 30.857 1.875 0.685 0.915 0.963 0.778 CA 1.379 27 residues pruned to eliminate duplicates Z: 24 22.942 1.811 0.707 0.927 1.000 0.652 CB 1.084 24 residues pruned to eliminate duplicates Z: 36 39.987 2.068 0.671 0.879 0.943 0.514 CB 1.505 27 residues pruned to eliminate duplicates Z: 30 25.162 1.977 0.421 0.911 0.966 0.586 CB 1.221 30 residues pruned to eliminate duplicates Z: 27 33.287 2.045 0.550 0.923 1.000 0.846 CB 1.448 27 residues pruned to eliminate duplicates Z: 27 50.257 2.112 0.990 0.899 1.000 0.538 CB 1.677 27 residues pruned to eliminate duplicates Z: 16 31.985 2.043 0.871 0.939 1.000 0.867 CA 1.501 16 residues pruned to eliminate duplicates Z: 29 34.389 1.929 0.784 0.922 1.000 0.857 CB 1.328 28 residues pruned to eliminate duplicates Z: 28 31.840 2.086 0.434 0.894 0.963 0.889 CA 1.526 28 residues pruned to eliminate duplicates Z: 24 27.671 2.052 0.457 0.922 1.000 0.913 CB 1.358 23 residues pruned to eliminate duplicates Z: 99 68.660 2.092 0.844 0.761 0.969 0.418 CB 1.471 89 residues pruned to eliminate duplicates Z: 25 33.748 2.076 0.575 0.944 0.958 0.875 CB 1.522 25 residues pruned to eliminate duplicates Z: 27 36.573 1.990 0.880 0.920 0.962 0.346 CB 1.404 28 residues pruned to eliminate duplicates Z: 14 27.891 2.109 0.705 0.906 1.000 0.692 CA 1.530 14 residues pruned to eliminate duplicates Z: 20 23.334 1.924 0.750 0.804 0.895 0.368 CA 1.362 20 residues pruned to eliminate duplicates Z: 27 34.814 1.925 0.774 0.938 1.000 0.615 CA 1.390 28 residues pruned to eliminate duplicates Z: 29 26.715 1.915 0.599 0.915 0.893 0.536 CB 1.305 29 residues pruned to eliminate duplicates Z: 27 32.509 2.008 0.718 0.928 0.923 0.538 CB 1.402 27 residues pruned to eliminate duplicates Z: 20 17.145 1.843 0.431 0.854 0.947 0.842 CB 1.163 19 residues pruned to eliminate duplicates Z: 19 24.804 1.872 0.799 0.912 1.000 0.611 CB 1.229 19 residues pruned to eliminate duplicates Z: 11 16.235 1.953 0.372 0.863 1.000 0.700 CB 1.406 11 residues pruned to eliminate duplicates Z: 23 32.963 2.078 0.668 0.914 1.000 0.909 CA 1.434 23 residues pruned to eliminate duplicates Z: 30 26.342 1.997 0.617 0.911 0.862 0.483 CB 1.246 30 residues pruned to eliminate duplicates Z: 29 25.965 2.003 0.474 0.916 0.929 0.643 CB 1.264 29 residues pruned to eliminate duplicates Z: 28 24.951 1.982 0.179 0.930 1.000 0.963 CB 1.438 28 residues pruned to eliminate duplicates Z: 19 18.017 2.034 0.439 0.650 1.000 0.722 CB 1.261 19 residues pruned to eliminate duplicates Z: 24 20.536 1.981 0.210 0.940 1.000 0.957 CA 1.240 24 residues pruned to eliminate duplicates Z: 27 31.648 2.054 0.415 0.951 1.000 0.962 CB 1.471 27 residues pruned to eliminate duplicates Z: 29 26.869 1.967 0.347 0.932 1.000 0.893 CB 1.338 29 residues pruned to eliminate duplicates Z: 11 17.396 2.037 0.563 0.846 1.000 0.700 CA 1.284 11 residues pruned to eliminate duplicates Z: 11 15.149 2.040 0.307 0.876 1.000 0.800 CA 1.305 11 residues pruned to eliminate duplicates Z: 27 25.484 1.896 0.383 0.926 1.000 0.885 CA 1.336 27 residues pruned to eliminate duplicates Z: 35 48.626 2.106 0.866 0.886 1.000 0.676 CB 1.531 35 residues pruned to eliminate duplicates Z: 19 27.162 2.009 0.854 0.928 0.889 0.500 CA 1.354 19 residues pruned to eliminate duplicates Z: 22 21.364 1.702 0.731 0.881 0.952 0.429 CB 1.203 22 residues pruned to eliminate duplicates Z: 28 39.186 2.060 0.695 0.927 1.000 0.852 CB 1.514 28 residues pruned to eliminate duplicates Z: 30 33.926 2.047 0.531 0.887 0.966 0.862 CA 1.501 30 residues pruned to eliminate duplicates Z: 29 26.878 1.999 0.329 0.911 1.000 0.857 CB 1.356 29 residues pruned to eliminate duplicates Z: 16 27.867 1.961 0.964 0.913 1.000 0.933 CA 1.322 16 residues pruned to eliminate duplicates Z: 30 42.005 2.025 0.912 0.884 0.966 0.552 CB 1.508 30 residues pruned to eliminate duplicates Z: 27 40.921 2.119 0.843 0.933 0.962 0.769 CA 1.491 27 residues pruned to eliminate duplicates Z: 30 22.438 1.953 0.295 0.893 0.966 0.828 CB 1.225 30 residues pruned to eliminate duplicates Z: 24 40.014 2.064 1.140 0.940 0.957 0.696 CB 1.371 24 residues pruned to eliminate duplicates Z: 19 18.311 1.865 0.437 0.912 0.944 0.889 CB 1.207 19 residues pruned to eliminate duplicates Z: 18 34.026 2.087 0.817 0.878 1.000 0.529 CB 1.580 18 residues pruned to eliminate duplicates Z: 30 30.907 1.921 0.600 0.890 0.966 0.621 CA 1.392 30 residues pruned to eliminate duplicates Z: 11 16.592 2.001 0.426 0.850 1.000 0.600 CB 1.362 11 residues pruned to eliminate duplicates Z: 29 33.942 2.095 0.386 0.895 1.000 0.929 CB 1.584 29 residues pruned to eliminate duplicates Z: 28 36.982 2.059 0.923 0.892 0.963 0.444 CB 1.341 26 residues pruned to eliminate duplicates Z: 23 37.380 2.088 0.980 0.932 1.000 0.955 CB 1.346 23 residues pruned to eliminate duplicates Z: 28 32.729 1.974 0.747 0.939 0.963 0.519 CB 1.318 26 residues pruned to eliminate duplicates Z: 40 36.972 2.090 0.675 0.705 0.923 0.487 CB 1.520 40 residues pruned to eliminate duplicates Z: 30 45.731 2.090 0.866 0.923 0.931 0.586 CB 1.643 30 residues pruned to eliminate duplicates Z: 27 29.356 2.002 0.627 0.928 0.923 0.462 CB 1.341 27 residues pruned to eliminate duplicates Z: 26 23.535 1.941 0.215 0.930 1.000 1.000 CA 1.396 26 residues pruned to eliminate duplicates Z: 29 36.365 2.029 0.703 0.932 1.000 0.714 CB 1.389 29 residues pruned to eliminate duplicates Z: 39 43.053 2.052 0.875 0.839 0.947 0.395 CB 1.431 39 residues pruned to eliminate duplicates Z: 27 34.922 1.954 0.677 0.918 1.000 0.769 CA 1.474 27 residues pruned to eliminate duplicates Z: 28 33.090 1.941 0.680 0.917 1.000 0.630 CB 1.378 28 residues pruned to eliminate duplicates Z: 25 32.115 2.076 0.645 0.862 0.917 0.792 CA 1.538 25 residues pruned to eliminate duplicates Z: 26 31.176 1.938 0.750 0.908 0.960 0.360 CB 1.361 26 residues pruned to eliminate duplicates Z: 14 20.113 1.982 0.730 0.926 0.923 0.385 CB 1.235 14 residues pruned to eliminate duplicates Z: 33 22.457 2.066 0.341 0.608 0.938 0.719 CB 1.379 33 residues pruned to eliminate duplicates Z: 24 31.527 2.050 0.707 0.915 0.957 0.913 CB 1.388 24 residues pruned to eliminate duplicates Z: 29 40.677 2.131 0.654 0.932 1.000 0.893 CA 1.523 29 residues pruned to eliminate duplicates Z: 25 19.320 1.799 0.577 0.908 0.917 0.542 CB 1.077 25 residues pruned to eliminate duplicates Z: 26 37.297 2.084 0.706 0.939 0.960 0.720 CA 1.519 26 residues pruned to eliminate duplicates Z: 20 17.549 1.843 0.281 0.906 1.000 0.737 CB 1.213 20 residues pruned to eliminate duplicates Z: 15 28.609 2.211 0.684 0.931 1.000 0.786 CB 1.435 15 residues pruned to eliminate duplicates Z: 11 13.902 2.032 0.286 0.858 1.000 0.600 CA 1.239 11 residues pruned to eliminate duplicates Z: 27 35.938 2.044 0.669 0.938 1.000 0.423 CB 1.436 28 residues pruned to eliminate duplicates Z: 11 16.558 2.061 0.455 0.834 1.000 0.700 CA 1.308 11 residues pruned to eliminate duplicates Z: 39 43.085 2.112 0.712 0.855 0.921 0.579 CB 1.549 39 residues pruned to eliminate duplicates Z: 28 27.782 1.922 0.498 0.913 0.963 0.778 CA 1.364 27 residues pruned to eliminate duplicates Z: 30 40.248 2.028 0.926 0.935 0.931 0.310 CB 1.433 30 residues pruned to eliminate duplicates Z: 18 17.924 1.985 0.574 0.921 0.882 0.765 CB 1.110 18 residues pruned to eliminate duplicates Z: 29 27.840 2.088 0.252 0.889 0.964 0.893 CA 1.502 29 residues pruned to eliminate duplicates Z: 23 17.191 1.999 0.423 0.593 0.864 0.545 CB 1.365 23 residues pruned to eliminate duplicates Z: 11 10.761 1.775 0.579 0.845 1.000 0.800 CB 0.903 11 residues pruned to eliminate duplicates Z: 24 35.995 2.044 0.790 0.944 1.000 0.913 CB 1.420 25 residues pruned to eliminate duplicates Z: 27 31.501 1.905 0.608 0.945 1.000 0.923 CA 1.396 27 residues pruned to eliminate duplicates Z: 28 29.588 1.986 0.411 0.943 1.000 0.963 CB 1.408 28 residues pruned to eliminate duplicates Z: 30 29.776 1.967 0.684 0.896 0.862 0.345 CA 1.387 30 residues pruned to eliminate duplicates Z: 10 7.081 1.795 -0.180 0.810 1.000 0.667 CB 1.224 10 residues pruned to eliminate duplicates Z: 27 25.567 2.007 0.351 0.921 1.000 0.846 CA 1.301 27 residues pruned to eliminate duplicates Z: 11 13.960 1.961 0.577 0.825 1.000 0.600 CA 1.078 11 residues pruned to eliminate duplicates Z: 64 48.211 2.119 0.447 0.834 1.000 0.841 CA 1.485 64 residues pruned to eliminate duplicates Z: 22 28.549 2.044 0.816 0.883 0.905 0.571 CB 1.341 22 residues pruned to eliminate duplicates Z: 27 32.783 2.030 0.550 0.923 1.000 0.731 CB 1.436 27 residues pruned to eliminate duplicates Z: 18 23.107 1.833 0.910 0.900 0.882 0.471 CB 1.296 18 residues pruned to eliminate duplicates Z: 18 16.675 1.960 0.564 0.876 0.882 0.706 CB 1.087 18 residues pruned to eliminate duplicates Z: 31 28.245 1.943 0.429 0.866 0.933 0.800 CB 1.456 31 residues pruned to eliminate duplicates Z: 27 37.130 2.031 0.729 0.937 1.000 0.962 CB 1.442 28 residues pruned to eliminate duplicates Z: 27 21.944 1.903 0.205 0.946 0.962 0.962 CA 1.350 27 residues pruned to eliminate duplicates Z: 11 13.710 1.885 0.274 0.852 1.000 0.900 CB 1.334 11 residues pruned to eliminate duplicates Z: 28 34.475 2.010 0.664 0.929 0.963 0.704 CA 1.442 28 residues pruned to eliminate duplicates Z: 28 37.389 2.063 0.640 0.902 1.000 0.741 CA 1.517 28 residues pruned to eliminate duplicates Z: 10 16.274 2.074 0.593 0.882 0.889 0.667 CA 1.336 10 residues pruned to eliminate duplicates Z: 10 17.761 2.045 0.643 0.875 1.000 0.889 CA 1.281 10 residues pruned to eliminate duplicates Z: 24 44.614 2.057 0.995 0.929 1.000 0.435 CA 1.587 24 residues pruned to eliminate duplicates Z: 29 51.166 2.118 0.951 0.937 0.964 0.393 CA 1.688 29 residues pruned to eliminate duplicates Z: 29 49.547 2.132 0.878 0.928 1.000 0.500 CA 1.638 29 residues pruned to eliminate duplicates Z: 25 29.432 2.072 0.421 0.948 0.958 0.917 CA 1.470 25 residues pruned to eliminate duplicates Z: 17 21.934 1.912 0.727 0.902 0.938 0.812 CB 1.263 17 residues pruned to eliminate duplicates Z: 17 29.510 2.144 0.619 0.940 1.000 1.000 CA 1.476 17 residues pruned to eliminate duplicates Z: 10 11.097 1.882 0.240 0.864 1.000 0.556 CB 1.162 10 residues pruned to eliminate duplicates Z: 10 11.062 2.047 0.535 0.413 1.000 0.667 CB 1.286 10 residues pruned to eliminate duplicates Z: 30 34.879 2.085 0.456 0.922 0.966 0.828 CA 1.554 30 residues pruned to eliminate duplicates Z: 22 39.700 2.125 0.937 0.958 1.000 0.952 CB 1.443 23 residues pruned to eliminate duplicates Z: 11 15.266 1.983 0.461 0.865 0.900 0.600 CB 1.356 11 residues pruned to eliminate duplicates Z: 28 28.433 2.006 0.466 0.917 1.000 0.963 CB 1.313 28 residues pruned to eliminate duplicates Z: 29 29.609 1.998 0.594 0.902 1.000 0.643 CB 1.253 29 residues pruned to eliminate duplicates Z: 30 29.988 2.000 0.653 0.908 0.931 0.690 CB 1.285 30 residues pruned to eliminate duplicates Z: 28 33.938 1.906 0.814 0.908 0.963 0.556 CA 1.393 28 residues pruned to eliminate duplicates Z: 99 68.624 2.101 0.869 0.759 0.959 0.480 CB 1.462 99 residues pruned to eliminate duplicates Z: 10 14.653 1.999 0.202 0.891 1.000 0.667 CB 1.461 10 residues pruned to eliminate duplicates Z: 24 32.623 2.006 0.805 0.956 1.000 0.870 CB 1.290 24 residues pruned to eliminate duplicates Z: 24 38.861 2.167 0.656 0.915 1.000 0.652 CA 1.596 24 residues pruned to eliminate duplicates Z: 28 27.287 2.027 0.426 0.864 0.926 0.741 CA 1.438 28 residues pruned to eliminate duplicates Z: 23 28.092 1.964 0.772 0.893 0.909 0.682 CB 1.359 23 residues pruned to eliminate duplicates Z: 24 23.161 2.030 0.540 0.929 0.913 0.826 CB 1.184 24 residues pruned to eliminate duplicates Z: 17 27.357 1.920 0.838 0.928 1.000 0.812 CA 1.358 17 residues pruned to eliminate duplicates Z: 26 26.971 1.960 0.482 0.910 0.920 0.520 CA 1.431 26 residues pruned to eliminate duplicates Z: 19 15.779 1.830 0.433 0.882 0.944 0.889 CB 1.086 19 residues pruned to eliminate duplicates Z: 28 35.324 2.018 0.764 0.935 1.000 0.593 CB 1.330 28 residues pruned to eliminate duplicates Z: 33 33.040 1.976 0.698 0.831 0.906 0.812 CA 1.443 33 residues pruned to eliminate duplicates Z: 27 35.012 1.926 0.780 0.908 1.000 0.500 CA 1.422 27 residues pruned to eliminate duplicates Z: 23 32.244 2.095 0.557 0.942 1.000 0.955 CB 1.461 23 residues pruned to eliminate duplicates Z: 27 37.045 1.930 0.821 0.945 1.000 0.538 CA 1.431 27 residues pruned to eliminate duplicates Z: 24 37.854 2.072 0.828 0.959 1.000 0.913 CB 1.428 24 residues pruned to eliminate duplicates Z: 11 17.492 2.073 0.500 0.830 1.000 0.700 CA 1.337 13 residues pruned to eliminate duplicates Z: 12 11.790 1.735 0.476 0.738 1.000 0.818 CB 1.122 4 residues pruned to eliminate duplicates Z: 27 38.875 2.039 0.825 0.953 1.000 0.615 CB 1.411 27 residues pruned to eliminate duplicates Z: 41 44.861 2.088 0.795 0.853 0.950 0.700 CA 1.473 39 residues pruned to eliminate duplicates Z: 30 42.861 2.058 0.977 0.892 0.897 0.414 CB 1.567 30 residues pruned to eliminate duplicates Z: 11 13.304 1.828 0.632 0.791 0.900 0.800 CA 1.214 11 residues pruned to eliminate duplicates Z: 9 13.750 2.117 0.389 0.905 0.875 0.500 CB 1.345 9 residues pruned to eliminate duplicates Z: 28 36.098 1.989 1.092 0.915 0.926 0.556 CB 1.275 28 residues pruned to eliminate duplicates Z: 27 23.934 1.963 0.321 0.890 0.962 0.885 CA 1.353 27 residues pruned to eliminate duplicates Z: 9 10.350 1.725 0.521 0.907 1.000 0.875 CB 0.991 8 residues pruned to eliminate duplicates Z: 29 42.961 2.082 0.883 0.886 0.964 0.750 CB 1.549 29 residues pruned to eliminate duplicates Z: 23 38.602 2.091 1.024 0.955 1.000 0.864 CB 1.337 23 residues pruned to eliminate duplicates Z: 27 26.453 1.902 0.489 0.914 0.962 0.769 CA 1.348 27 residues pruned to eliminate duplicates Z: 27 26.101 1.965 0.798 0.919 0.846 0.538 CB 1.207 28 residues pruned to eliminate duplicates Z: 29 44.586 2.097 0.918 0.891 1.000 0.429 CB 1.507 29 residues pruned to eliminate duplicates Z: 26 35.091 2.022 0.877 0.940 0.960 0.640 CB 1.338 26 residues pruned to eliminate duplicates Z: 30 38.142 2.048 0.636 0.878 1.000 0.828 CB 1.535 30 residues pruned to eliminate duplicates Z: 27 23.595 1.966 0.478 0.910 0.923 0.538 CB 1.224 27 residues pruned to eliminate duplicates Z: 26 38.954 2.076 0.954 0.949 0.960 0.720 CB 1.380 26 residues pruned to eliminate duplicates Z: 28 26.626 1.915 0.399 0.938 0.963 0.741 CA 1.381 28 residues pruned to eliminate duplicates Z: 40 37.023 2.070 0.689 0.717 0.949 0.615 CB 1.468 38 residues pruned to eliminate duplicates Z: 28 27.252 1.969 0.306 0.913 1.000 0.852 CB 1.443 28 residues pruned to eliminate duplicates Z: 19 19.251 1.914 0.194 0.940 1.000 0.833 CB 1.379 19 residues pruned to eliminate duplicates Z: 16 17.686 1.897 0.483 0.906 0.933 0.933 CB 1.237 16 residues pruned to eliminate duplicates Z: 29 29.109 1.955 0.797 0.934 0.964 0.393 CB 1.133 29 residues pruned to eliminate duplicates Z: 28 37.558 1.961 1.015 0.882 0.963 0.481 CB 1.375 28 residues pruned to eliminate duplicates Z: 30 24.843 1.974 0.468 0.930 0.931 0.759 CB 1.195 30 residues pruned to eliminate duplicates Z: 28 32.158 1.968 0.891 0.889 0.926 0.481 CB 1.293 28 residues pruned to eliminate duplicates Z: 27 38.786 1.917 0.998 0.933 0.962 0.385 CB 1.441 28 residues pruned to eliminate duplicates Z: 17 24.203 1.902 0.912 0.930 1.000 0.688 CB 1.163 17 residues pruned to eliminate duplicates Z: 17 18.177 1.715 0.704 0.835 1.000 0.812 CA 1.164 17 residues pruned to eliminate duplicates Z: 28 29.292 1.956 0.506 0.904 0.963 0.667 CB 1.414 28 residues pruned to eliminate duplicates Z: 29 26.063 1.976 0.641 0.921 0.893 0.393 CB 1.197 29 residues pruned to eliminate duplicates Z: 101 57.162 2.101 0.455 0.743 0.960 0.730 CA 1.566 101 residues pruned to eliminate duplicates Z: 20 18.698 1.844 0.498 0.897 0.947 0.842 CB 1.173 20 residues pruned to eliminate duplicates Z: 26 24.613 1.955 0.787 0.902 0.880 0.440 CB 1.142 26 residues pruned to eliminate duplicates Z: 29 25.849 2.015 0.468 0.897 0.929 0.786 CB 1.273 29 residues pruned to eliminate duplicates Z: 12 7.630 1.832 0.086 0.697 0.818 0.636 CB 1.181 12 residues pruned to eliminate duplicates Z: 30 41.084 2.045 0.739 0.880 1.000 0.793 CA 1.554 30 residues pruned to eliminate duplicates Z: 23 30.115 1.995 0.604 0.911 1.000 0.500 CB 1.421 23 residues pruned to eliminate duplicates Z: 26 23.980 1.894 0.643 0.920 0.920 0.600 CB 1.179 26 residues pruned to eliminate duplicates Z: 18 18.869 1.837 0.461 0.840 1.000 0.765 CB 1.273 18 residues pruned to eliminate duplicates Z: 26 30.826 1.943 0.565 0.927 1.000 0.840 CA 1.421 26 residues pruned to eliminate duplicates Z: 29 41.362 2.126 0.696 0.896 1.000 0.679 CB 1.552 29 residues pruned to eliminate duplicates Z: 27 36.883 2.018 0.899 0.933 0.962 0.577 CB 1.370 27 residues pruned to eliminate duplicates Z: 22 30.415 2.130 0.693 0.943 0.952 0.905 CB 1.339 22 residues pruned to eliminate duplicates Z: 23 28.972 1.896 0.775 0.846 0.955 0.500 CB 1.428 23 residues pruned to eliminate duplicates Z: 19 20.603 1.932 0.685 0.852 0.944 0.611 CB 1.168 19 residues pruned to eliminate duplicates Z: 31 41.790 1.963 1.022 0.845 0.933 0.567 CB 1.531 31 residues pruned to eliminate duplicates Z: 21 19.714 1.871 0.255 0.910 1.000 0.800 CA 1.331 21 residues pruned to eliminate duplicates Z: 20 36.552 2.017 1.171 0.932 0.895 0.474 CB 1.495 20 residues pruned to eliminate duplicates Z: 96 59.310 2.070 0.744 0.727 0.947 0.463 CB 1.450 96 residues pruned to eliminate duplicates Z: 20 19.379 1.901 0.218 0.932 1.000 0.947 CB 1.341 20 residues pruned to eliminate duplicates Z: 11 13.998 1.928 0.569 0.881 0.900 0.500 CB 1.178 11 residues pruned to eliminate duplicates Z: 11 15.246 2.023 0.338 0.839 1.000 0.700 CB 1.330 11 residues pruned to eliminate duplicates Z: 26 32.745 2.057 0.560 0.939 1.000 0.680 CB 1.418 26 residues pruned to eliminate duplicates Z: 28 29.381 1.971 0.633 0.875 0.926 0.519 CB 1.379 28 residues pruned to eliminate duplicates Z: 13 10.700 1.715 0.468 0.739 0.833 0.667 CB 1.189 13 residues pruned to eliminate duplicates Z: 10 9.495 1.623 0.551 0.705 0.889 0.667 CB 1.174 10 residues pruned to eliminate duplicates Z: 19 28.027 2.051 0.597 0.907 0.944 0.500 CB 1.518 19 residues pruned to eliminate duplicates Z: 20 13.658 1.980 0.350 0.617 0.895 0.526 CB 1.172 20 residues pruned to eliminate duplicates Z: 25 16.584 1.886 0.523 0.625 0.833 0.542 CB 1.257 25 residues pruned to eliminate duplicates Z: 18 20.680 1.969 0.392 0.929 1.000 1.000 CB 1.281 18 residues pruned to eliminate duplicates Z: 23 27.112 2.015 0.639 0.810 0.909 0.409 CB 1.470 23 residues pruned to eliminate duplicates Z: 20 23.322 1.839 0.860 0.902 0.947 0.737 CB 1.178 20 residues pruned to eliminate duplicates Z: 28 32.125 1.924 0.743 0.922 0.963 0.630 CA 1.347 28 residues pruned to eliminate duplicates Z: 30 34.475 2.032 0.618 0.952 1.000 0.966 CA 1.341 30 residues pruned to eliminate duplicates Z: 13 20.104 1.823 0.854 0.886 1.000 0.667 CA 1.239 13 residues pruned to eliminate duplicates Z: 17 25.935 1.983 0.858 0.931 1.000 0.750 CB 1.230 17 residues pruned to eliminate duplicates Z: 26 24.269 2.012 0.772 0.620 0.920 0.560 CB 1.322 38 residues pruned to eliminate duplicates Z: 10 19.467 1.961 0.697 0.896 1.000 0.556 CB 1.397 10 residues pruned to eliminate duplicates Z: 29 43.449 2.129 0.861 0.927 0.964 0.607 CA 1.506 29 residues pruned to eliminate duplicates Z: 39 24.701 1.849 0.387 0.831 0.895 0.763 CB 1.313 39 residues pruned to eliminate duplicates Z: 29 29.480 1.972 0.831 0.895 0.893 0.464 CB 1.238 29 residues pruned to eliminate duplicates Z: 30 22.104 1.958 0.312 0.922 0.931 0.862 CB 1.207 30 residues pruned to eliminate duplicates Z: 11 17.627 2.037 0.506 0.874 1.000 0.600 CA 1.322 11 residues pruned to eliminate duplicates Z: 27 34.586 1.869 1.037 0.928 0.962 0.231 CB 1.297 26 residues pruned to eliminate duplicates Z: 10 7.461 1.636 0.485 0.847 0.889 0.889 CB 0.855 10 residues pruned to eliminate duplicates Z: 11 8.310 1.613 0.681 0.812 0.800 0.500 CB 0.923 11 residues pruned to eliminate duplicates Z: 19 18.497 1.840 0.422 0.907 1.000 0.778 CB 1.184 20 residues pruned to eliminate duplicates Z: 28 26.392 1.964 0.470 0.873 0.926 0.815 CA 1.384 28 residues pruned to eliminate duplicates Z: 20 21.574 1.844 0.650 0.899 0.947 0.737 CB 1.227 20 residues pruned to eliminate duplicates Z: 91 62.971 2.072 0.841 0.735 0.944 0.489 CB 1.492 91 residues pruned to eliminate duplicates Z: 28 36.455 2.055 0.856 0.929 0.963 0.630 CB 1.337 28 residues pruned to eliminate duplicates Z: 14 11.780 1.615 0.478 0.776 0.923 0.615 CA 1.162 14 residues pruned to eliminate duplicates Z: 20 17.822 1.836 0.586 0.861 0.947 0.737 CB 1.089 20 residues pruned to eliminate duplicates Z: 54 44.073 1.997 0.838 0.838 0.962 0.453 CB 1.281 54 residues pruned to eliminate duplicates Z: 29 24.681 1.945 0.564 0.904 0.929 0.714 CB 1.176 29 residues pruned to eliminate duplicates Z: 10 9.267 1.650 0.226 0.886 1.000 0.889 CB 1.102 10 residues pruned to eliminate duplicates Z: 13 10.479 1.735 0.041 0.845 0.917 0.750 CA 1.359 13 residues pruned to eliminate duplicates Z: 11 18.157 1.965 0.381 0.912 1.000 0.900 CB 1.497 11 residues pruned to eliminate duplicates Z: 10 8.971 1.781 0.275 0.808 1.000 0.333 CA 1.007 10 residues pruned to eliminate duplicates Z: 11 7.402 1.705 0.289 0.765 0.700 0.600 CA 1.202 11 residues pruned to eliminate duplicates Z: 18 15.553 1.823 0.265 0.912 1.000 0.824 CA 1.158 18 residues pruned to eliminate duplicates Z: 31 22.222 1.903 0.279 0.885 0.933 0.833 CB 1.289 31 residues pruned to eliminate duplicates Z: 11 11.270 1.808 0.208 0.866 1.000 0.900 CB 1.194 15 residues pruned to eliminate duplicates Z: 27 31.195 1.956 0.499 0.944 1.000 0.885 CA 1.445 27 residues pruned to eliminate duplicates Z: 26 27.284 1.874 0.529 0.882 1.000 0.720 CA 1.379 26 residues pruned to eliminate duplicates Z: 19 17.576 1.835 0.432 0.936 1.000 0.944 CB 1.098 19 residues pruned to eliminate duplicates Z: 16 17.794 1.869 0.612 0.944 0.800 0.667 CB 1.320 16 residues pruned to eliminate duplicates Z: 25 26.934 1.963 0.696 0.823 0.875 0.542 CB 1.427 25 residues pruned to eliminate duplicates Z: 7 4.277 1.526 0.315 0.405 0.833 0.667 CB 1.154 7 residues pruned to eliminate duplicates Z: 18 13.953 1.938 0.423 0.866 1.000 0.647 CB 0.898 18 residues pruned to eliminate duplicates Z: 54 48.443 2.074 0.884 0.748 0.943 0.528 CB 1.446 54 residues pruned to eliminate duplicates Z: 11 16.832 2.031 0.586 0.874 1.000 0.900 CA 1.203 11 residues pruned to eliminate duplicates Z: 27 28.714 1.889 0.710 0.885 0.962 0.577 CB 1.309 27 residues pruned to eliminate duplicates Z: 15 9.341 1.700 0.475 0.686 0.786 0.500 CB 1.069 15 residues pruned to eliminate duplicates Z: 20 22.136 1.866 0.756 0.920 0.947 0.737 CB 1.152 20 residues pruned to eliminate duplicates Z: 45 40.292 2.032 0.663 0.735 1.000 0.636 CB 1.455 45 residues pruned to eliminate duplicates Z: 30 45.714 2.023 0.916 0.901 0.966 0.483 CB 1.619 30 residues pruned to eliminate duplicates Z: 20 22.970 1.844 0.801 0.928 0.947 0.789 CB 1.173 20 residues pruned to eliminate duplicates Z: 19 24.199 1.848 0.761 0.909 1.000 0.667 CB 1.243 19 residues pruned to eliminate duplicates Z: 11 11.418 1.803 0.483 0.814 0.800 0.600 CB 1.285 11 residues pruned to eliminate duplicates Z: 10 12.673 1.985 0.893 0.910 0.778 0.556 CB 1.026 10 residues pruned to eliminate duplicates Z: 78 54.794 2.106 0.549 0.792 0.961 0.844 CA 1.541 78 residues pruned to eliminate duplicates Z: 22 26.651 2.000 0.856 0.904 0.952 0.571 CB 1.171 22 residues pruned to eliminate duplicates Z: 30 24.840 1.954 0.443 0.898 0.966 0.586 CB 1.212 30 residues pruned to eliminate duplicates Z: 54 44.697 2.081 0.649 0.729 0.943 0.623 CB 1.542 54 residues pruned to eliminate duplicates Z: 26 32.223 1.982 0.561 0.946 1.000 0.800 CA 1.441 26 residues pruned to eliminate duplicates Z: 27 38.163 2.009 0.935 0.924 1.000 0.500 CB 1.351 27 residues pruned to eliminate duplicates Z: 15 33.991 2.233 1.048 0.947 0.929 0.500 CB 1.478 15 residues pruned to eliminate duplicates Z: 6 4.900 1.477 0.347 0.660 1.000 0.600 CB 0.950 Z: 9 13.415 2.021 0.422 0.753 1.000 0.625 CA 1.317 9 residues pruned to eliminate duplicates Z: 30 39.213 2.092 0.667 0.930 1.000 0.828 CA 1.460 30 residues pruned to eliminate duplicates Z: 12 27.747 2.085 0.806 0.904 1.000 0.818 CA 1.582 12 residues pruned to eliminate duplicates Z: 50 31.489 2.005 0.430 0.626 0.939 0.633 CB 1.484 49 residues pruned to eliminate duplicates Z: 99 62.444 2.099 0.579 0.755 0.969 0.776 CA 1.564 99 residues pruned to eliminate duplicates Z: 16 21.438 1.934 0.640 0.860 0.933 0.600 CA 1.375 16 residues pruned to eliminate duplicates Z: 6 5.848 1.603 0.383 0.734 0.800 0.600 CB 1.195 6 residues pruned to eliminate duplicates Z: 29 33.944 1.960 0.730 0.870 0.964 0.607 CA 1.432 29 residues pruned to eliminate duplicates Z: 43 33.485 1.918 0.828 0.732 0.952 0.405 CB 1.255 43 residues pruned to eliminate duplicates Z: 17 36.334 2.180 0.961 0.935 1.000 0.375 CB 1.481 17 residues pruned to eliminate duplicates Z: 27 35.512 1.914 0.814 0.947 1.000 0.615 CA 1.386 27 residues pruned to eliminate duplicates Z: 40 34.986 2.087 0.415 0.804 0.949 0.795 CA 1.534 40 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 6.144 1.727 -0.019 0.752 0.900 0.500 CB 1.017 11 residues pruned to eliminate duplicates Z: 15 10.429 1.716 0.513 0.739 0.857 0.643 CB 1.011 15 residues pruned to eliminate duplicates Z: 16 10.997 1.725 0.505 0.623 0.867 0.733 CB 1.123 16 residues pruned to eliminate duplicates Z: 13 11.198 1.790 0.412 0.662 0.917 0.833 CB 1.201 12 residues pruned to eliminate duplicates Z: 11 10.278 1.848 0.208 0.785 0.900 0.800 CB 1.259 11 residues pruned to eliminate duplicates Z: 15 13.393 1.743 0.480 0.642 0.929 0.714 CB 1.307 15 residues pruned to eliminate duplicates Z: 11 15.427 1.853 0.763 0.850 0.900 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 13 10.159 1.656 0.497 0.730 0.833 0.500 CB 1.154 13 residues pruned to eliminate duplicates Z: 16 11.499 1.702 0.629 0.575 0.867 0.667 CB 1.150 16 residues pruned to eliminate duplicates Z: 15 7.467 1.688 0.390 0.534 0.857 0.357 CB 0.960 15 residues pruned to eliminate duplicates Z: 13 12.982 1.879 0.402 0.765 1.000 0.500 CB 1.125 13 residues pruned to eliminate duplicates Z: 28 23.702 1.904 0.252 0.934 1.000 0.889 CA 1.334 28 residues pruned to eliminate duplicates Z: 11 11.740 1.824 0.690 0.826 0.900 0.800 CA 1.009 11 residues pruned to eliminate duplicates Z: 27 24.225 1.943 0.281 0.926 1.000 0.923 CA 1.339 27 residues pruned to eliminate duplicates Z: 27 28.699 1.949 0.452 0.927 1.000 0.962 CA 1.394 27 residues pruned to eliminate duplicates Z: 26 31.986 1.958 0.662 0.908 1.000 0.880 CA 1.396 26 residues pruned to eliminate duplicates Z: 26 33.491 1.988 0.657 0.939 1.000 0.760 CA 1.413 26 residues pruned to eliminate duplicates Z: 24 27.775 1.926 0.581 0.917 0.957 0.652 CA 1.403 24 residues pruned to eliminate duplicates Z: 27 30.372 1.917 0.609 0.926 0.962 0.615 CA 1.408 27 residues pruned to eliminate duplicates Z: 104 70.352 2.040 0.895 0.793 0.951 0.583 CB 1.457 127 residues pruned to eliminate duplicates Z: 25 37.702 1.977 0.793 0.944 1.000 0.583 CB 1.503 25 residues pruned to eliminate duplicates Z: 25 38.028 1.942 0.953 0.952 1.000 0.625 CB 1.410 25 residues pruned to eliminate duplicates Z: 27 36.354 1.957 0.804 0.917 1.000 0.769 CA 1.425 27 residues pruned to eliminate duplicates Z: 23 34.211 1.990 0.746 0.932 1.000 0.682 CB 1.467 23 residues pruned to eliminate duplicates Z: 24 34.290 1.956 0.787 0.930 1.000 0.565 CB 1.431 24 residues pruned to eliminate duplicates Z: 25 37.886 1.981 0.832 0.940 1.000 0.667 CB 1.481 25 residues pruned to eliminate duplicates Z: 23 34.308 1.972 0.839 0.913 1.000 0.591 CB 1.427 23 residues pruned to eliminate duplicates Z: 23 33.652 1.937 0.890 0.898 1.000 0.455 CB 1.402 23 residues pruned to eliminate duplicates Z: 23 35.128 1.995 0.766 0.946 1.000 0.591 CB 1.469 23 residues pruned to eliminate duplicates Z: 25 34.718 1.975 0.840 0.940 1.000 0.792 CB 1.354 25 residues pruned to eliminate duplicates Z: 36 28.334 1.835 0.701 0.763 0.886 0.543 CB 1.372 36 residues pruned to eliminate duplicates Z: 23 33.465 1.970 0.807 0.937 0.955 0.455 CB 1.461 23 residues pruned to eliminate duplicates Z: 30 36.113 1.891 0.824 0.877 0.966 0.586 CB 1.463 31 residues pruned to eliminate duplicates Z: 26 34.788 1.956 0.788 0.927 0.960 0.480 CA 1.453 26 residues pruned to eliminate duplicates Z: 28 35.718 1.926 0.815 0.905 0.963 0.444 CB 1.454 28 residues pruned to eliminate duplicates Z: 27 38.054 1.965 0.906 0.933 0.962 0.654 CB 1.446 27 residues pruned to eliminate duplicates Z: 25 18.000 1.776 0.385 0.926 0.958 0.833 CB 1.093 25 residues pruned to eliminate duplicates Z: 19 20.800 1.854 0.528 0.912 1.000 0.778 CA 1.226 19 residues pruned to eliminate duplicates Z: 8 5.652 1.597 0.524 0.874 1.000 0.571 CA 0.639 8 residues pruned to eliminate duplicates Z: 34 20.654 1.706 0.512 0.752 1.000 0.667 CB 1.113 34 residues pruned to eliminate duplicates Z: 27 20.805 1.726 0.635 0.846 1.000 0.654 CB 1.074 27 residues pruned to eliminate duplicates Z: 34 27.930 1.867 0.676 0.856 0.970 0.636 CB 1.182 32 residues pruned to eliminate duplicates Z: 24 21.501 1.797 0.579 0.939 1.000 0.652 CB 1.098 24 residues pruned to eliminate duplicates Z: 33 31.367 1.855 0.767 0.857 1.000 0.719 CB 1.247 33 residues pruned to eliminate duplicates Z: 19 17.846 1.876 0.567 0.731 0.944 0.500 CB 1.231 19 residues pruned to eliminate duplicates Z: 18 17.368 1.860 0.784 0.779 0.824 0.529 CB 1.205 18 residues pruned to eliminate duplicates Z: 34 29.267 1.838 0.813 0.819 1.000 0.727 CB 1.159 34 residues pruned to eliminate duplicates Z: 19 20.301 1.898 0.729 0.772 0.944 0.667 CB 1.214 19 residues pruned to eliminate duplicates Z: 34 29.119 1.860 0.820 0.815 0.970 0.606 CB 1.174 34 residues pruned to eliminate duplicates Z: 23 19.735 1.767 0.848 0.689 0.909 0.545 CB 1.192 23 residues pruned to eliminate duplicates Z: 17 20.481 1.927 0.679 0.825 0.938 0.562 CA 1.275 17 residues pruned to eliminate duplicates Z: 33 24.405 1.805 0.715 0.816 0.875 0.562 CB 1.210 33 residues pruned to eliminate duplicates Z: 24 19.191 1.723 0.879 0.649 0.957 0.391 CB 1.125 24 residues pruned to eliminate duplicates Z: 22 15.471 1.792 0.607 0.720 0.810 0.524 CB 1.187 22 residues pruned to eliminate duplicates Z: 26 19.858 1.778 0.745 0.719 0.800 0.520 CB 1.312 26 residues pruned to eliminate duplicates Z: 13 10.037 1.551 0.659 0.702 1.000 0.750 CB 0.937 13 residues pruned to eliminate duplicates Z: 65 46.515 1.975 0.559 0.854 0.984 0.734 CB 1.416 65 residues pruned to eliminate duplicates Z: 65 50.294 2.012 0.609 0.873 0.984 0.812 CB 1.437 65 residues pruned to eliminate duplicates Z: 24 16.325 1.702 0.639 0.688 0.913 0.609 CB 1.125 24 residues pruned to eliminate duplicates Z: 11 8.711 1.620 0.248 0.789 1.000 0.800 CB 1.058 11 residues pruned to eliminate duplicates Z: 22 16.581 1.731 0.753 0.708 0.905 0.619 CB 1.091 22 residues pruned to eliminate duplicates Z: 31 16.438 1.678 0.458 0.728 0.900 0.733 CB 1.110 31 residues pruned to eliminate duplicates Z: 16 10.674 1.637 0.392 0.567 0.933 0.667 CB 1.215 16 residues pruned to eliminate duplicates Z: 63 46.584 1.979 0.579 0.840 1.000 0.774 CB 1.413 63 residues pruned to eliminate duplicates Z: 64 48.055 1.993 0.636 0.860 0.984 0.730 CB 1.388 64 residues pruned to eliminate duplicates Z: 67 46.759 1.968 0.584 0.847 0.985 0.803 CB 1.391 67 residues pruned to eliminate duplicates Z: 59 44.681 1.979 0.724 0.802 1.000 0.707 CB 1.321 59 residues pruned to eliminate duplicates Z: 66 53.039 1.988 0.753 0.864 0.985 0.677 CB 1.405 66 residues pruned to eliminate duplicates Z: 30 17.478 1.700 0.581 0.782 0.862 0.621 CB 1.092 30 residues pruned to eliminate duplicates Z: 26 20.488 1.777 0.720 0.780 1.000 0.680 CB 1.047 26 residues pruned to eliminate duplicates Z: 67 50.338 1.979 0.752 0.848 0.970 0.727 CB 1.367 67 residues pruned to eliminate duplicates Z: 66 48.886 1.985 0.647 0.866 0.985 0.631 CB 1.378 66 residues pruned to eliminate duplicates Z: 65 48.966 2.003 0.647 0.869 0.969 0.734 CB 1.399 65 residues pruned to eliminate duplicates Z: 67 50.603 1.987 0.715 0.855 0.970 0.727 CB 1.390 67 residues pruned to eliminate duplicates Z: 50 47.770 2.069 0.669 0.879 0.959 0.673 CA 1.494 50 residues pruned to eliminate duplicates Z: 47 51.641 2.071 0.784 0.878 0.978 0.674 CA 1.529 47 residues pruned to eliminate duplicates Z: 58 39.881 1.968 0.682 0.763 0.912 0.561 CB 1.384 58 residues pruned to eliminate duplicates Z: 40 44.547 2.120 0.701 0.834 0.974 0.641 CA 1.522 40 residues pruned to eliminate duplicates Z: 41 47.049 2.128 0.751 0.845 0.975 0.575 CA 1.523 41 residues pruned to eliminate duplicates Z: 35 46.882 2.178 0.820 0.830 0.971 0.529 CA 1.571 35 residues pruned to eliminate duplicates Z: 57 52.970 2.023 0.904 0.846 0.982 0.661 CB 1.390 57 residues pruned to eliminate duplicates Z: 44 41.126 2.062 0.610 0.828 0.977 0.628 CA 1.456 44 residues pruned to eliminate duplicates Z: 48 50.100 2.041 0.799 0.841 0.979 0.596 CB 1.516 48 residues pruned to eliminate duplicates Z: 46 52.448 2.091 0.839 0.851 0.978 0.578 CB 1.539 46 residues pruned to eliminate duplicates Z: 46 45.846 2.070 0.668 0.839 0.978 0.644 CB 1.512 46 residues pruned to eliminate duplicates Z: 62 45.442 1.996 0.725 0.788 0.934 0.508 CB 1.403 62 residues pruned to eliminate duplicates Z: 46 47.037 2.074 0.687 0.855 0.978 0.711 CA 1.513 46 residues pruned to eliminate duplicates Z: 45 38.925 2.063 0.571 0.827 0.909 0.705 CA 1.501 45 residues pruned to eliminate duplicates Z: 46 50.191 2.050 0.750 0.852 1.000 0.533 CB 1.543 46 residues pruned to eliminate duplicates Z: 43 48.109 2.098 0.743 0.858 0.952 0.738 CA 1.570 43 residues pruned to eliminate duplicates Z: 35 50.649 2.168 0.937 0.852 1.000 0.529 CB 1.530 35 residues pruned to eliminate duplicates Z: 63 44.352 1.943 0.727 0.806 0.919 0.484 CB 1.397 63 residues pruned to eliminate duplicates Z: 23 30.843 2.053 0.794 0.700 0.955 0.591 CA 1.559 23 residues pruned to eliminate duplicates Z: 23 37.745 2.113 0.674 0.949 1.000 0.864 CA 1.571 23 residues pruned to eliminate duplicates Z: 50 43.093 2.033 0.616 0.810 0.959 0.673 CA 1.491 50 residues pruned to eliminate duplicates Z: 49 55.319 2.096 0.854 0.891 0.979 0.729 CB 1.509 49 residues pruned to eliminate duplicates Z: 44 49.353 2.077 0.770 0.857 1.000 0.744 CB 1.508 44 residues pruned to eliminate duplicates Z: 44 51.869 2.101 0.793 0.848 1.000 0.605 CB 1.558 44 residues pruned to eliminate duplicates Z: 39 41.674 2.086 0.789 0.783 0.921 0.474 CB 1.532 39 residues pruned to eliminate duplicates Z: 62 44.362 1.984 0.691 0.786 0.951 0.623 CB 1.385 62 residues pruned to eliminate duplicates Z: 43 47.185 2.086 0.839 0.806 0.976 0.643 CA 1.489 43 residues pruned to eliminate duplicates Z: 46 48.812 2.058 0.742 0.846 1.000 0.689 CB 1.508 46 residues pruned to eliminate duplicates Z: 45 45.354 2.070 0.933 0.766 0.932 0.477 CB 1.449 45 residues pruned to eliminate duplicates Z: 46 51.144 2.079 0.807 0.856 0.978 0.622 CB 1.531 46 residues pruned to eliminate duplicates Z: 43 48.100 2.079 0.797 0.874 1.000 0.500 CB 1.446 43 residues pruned to eliminate duplicates Z: 51 45.483 1.991 0.774 0.791 0.980 0.520 CB 1.439 51 residues pruned to eliminate duplicates Z: 46 53.155 2.085 0.866 0.854 0.978 0.600 CA 1.539 46 residues pruned to eliminate duplicates Z: 48 48.352 2.038 0.884 0.820 0.979 0.511 CB 1.422 48 residues pruned to eliminate duplicates Z: 27 33.853 2.014 0.871 0.943 0.923 0.500 CB 1.323 27 residues pruned to eliminate duplicates Z: 26 33.231 2.027 0.940 0.888 0.960 0.480 CB 1.268 26 residues pruned to eliminate duplicates Z: 45 53.636 2.073 0.948 0.850 1.000 0.477 CB 1.483 45 residues pruned to eliminate duplicates Z: 25 43.656 2.050 1.022 0.950 1.000 0.458 CB 1.482 25 residues pruned to eliminate duplicates Z: 45 52.895 2.091 0.931 0.839 1.000 0.523 CB 1.475 45 residues pruned to eliminate duplicates Z: 61 42.579 1.974 0.809 0.775 0.917 0.400 CB 1.317 61 residues pruned to eliminate duplicates Z: 45 52.410 2.085 0.907 0.855 0.977 0.386 CB 1.501 45 residues pruned to eliminate duplicates Z: 49 46.714 2.017 0.856 0.804 0.979 0.417 CB 1.411 49 residues pruned to eliminate duplicates Z: 27 43.118 2.053 1.026 0.949 1.000 0.577 CB 1.403 27 residues pruned to eliminate duplicates Z: 67 46.374 2.102 0.468 0.743 0.970 0.803 CA 1.536 67 residues pruned to eliminate duplicates Z: 39 36.870 2.133 0.457 0.758 0.974 0.842 CA 1.571 39 residues pruned to eliminate duplicates Z: 83 56.046 2.090 0.546 0.759 0.988 0.793 CA 1.540 83 residues pruned to eliminate duplicates Z: 98 60.355 2.114 0.543 0.761 0.959 0.763 CA 1.554 98 residues pruned to eliminate duplicates Z: 80 55.472 2.111 0.526 0.777 0.975 0.747 CA 1.556 80 residues pruned to eliminate duplicates Z: 32 25.788 2.127 0.513 0.594 0.903 0.677 CB 1.456 32 residues pruned to eliminate duplicates Z: 44 38.032 2.113 0.461 0.730 1.000 0.791 CB 1.527 44 residues pruned to eliminate duplicates Z: 99 61.879 2.122 0.596 0.740 0.969 0.765 CB 1.536 99 residues pruned to eliminate duplicates Z: 102 56.898 2.093 0.489 0.727 0.970 0.743 CB 1.526 102 residues pruned to eliminate duplicates Z: 100 59.062 2.105 0.519 0.744 0.980 0.788 CB 1.523 100 residues pruned to eliminate duplicates Z: 101 57.699 2.093 0.478 0.746 0.970 0.720 CB 1.544 101 residues pruned to eliminate duplicates Z: 43 36.858 2.113 0.468 0.749 0.952 0.833 CA 1.542 43 residues pruned to eliminate duplicates Z: 49 42.699 2.110 0.519 0.752 0.979 0.812 CB 1.569 49 residues pruned to eliminate duplicates Z: 70 47.599 2.076 0.569 0.705 0.942 0.696 CB 1.550 70 residues pruned to eliminate duplicates Z: 99 60.532 2.110 0.533 0.745 0.969 0.735 CB 1.566 99 residues pruned to eliminate duplicates Z: 79 55.186 2.105 0.516 0.781 0.974 0.795 CA 1.569 79 residues pruned to eliminate duplicates Z: 101 58.095 2.082 0.514 0.731 0.990 0.760 CB 1.512 101 residues pruned to eliminate duplicates Z: 99 61.693 2.107 0.550 0.758 0.980 0.724 CB 1.549 99 residues pruned to eliminate duplicates Z: 100 60.434 2.094 0.568 0.748 0.970 0.747 CB 1.529 100 residues pruned to eliminate duplicates Z: 100 57.629 2.103 0.486 0.740 0.970 0.758 CB 1.541 100 residues pruned to eliminate duplicates Z: 99 61.009 2.103 0.582 0.746 0.969 0.816 CB 1.534 99 residues pruned to eliminate duplicates Z: 120 60.438 2.076 0.469 0.729 0.966 0.731 CB 1.530 120 residues pruned to eliminate duplicates Z: 39 41.057 2.131 0.646 0.745 1.000 0.737 CB 1.526 39 residues pruned to eliminate duplicates Z: 108 55.315 2.042 0.540 0.695 0.963 0.738 CB 1.478 108 residues pruned to eliminate duplicates Z: 100 59.867 2.110 0.570 0.731 0.960 0.717 CB 1.538 100 residues pruned to eliminate duplicates Z: 62 50.327 2.126 0.561 0.774 0.984 0.836 CB 1.550 62 residues pruned to eliminate duplicates Z: 42 39.554 2.129 0.534 0.768 1.000 0.780 CB 1.492 42 residues pruned to eliminate duplicates Z: 42 40.364 2.137 0.514 0.779 1.000 0.707 CB 1.523 42 residues pruned to eliminate duplicates Z: 80 56.728 2.083 0.578 0.775 0.987 0.797 CA 1.541 80 residues pruned to eliminate duplicates Z: 43 38.604 2.099 0.498 0.753 1.000 0.667 CB 1.512 43 residues pruned to eliminate duplicates Z: 42 41.022 2.130 0.647 0.762 1.000 0.610 CB 1.447 42 residues pruned to eliminate duplicates Z: 43 40.053 2.103 0.599 0.755 0.976 0.714 CB 1.500 43 residues pruned to eliminate duplicates Z: 99 59.734 2.110 0.488 0.744 0.980 0.714 CB 1.578 99 residues pruned to eliminate duplicates Z: 43 40.583 2.108 0.648 0.754 0.952 0.667 CB 1.509 43 residues pruned to eliminate duplicates Z: 61 52.483 2.117 0.608 0.776 1.000 0.700 CB 1.560 61 residues pruned to eliminate duplicates Z: 99 62.846 2.103 0.661 0.749 0.959 0.653 CB 1.516 99 residues pruned to eliminate duplicates Z: 80 61.764 2.108 0.681 0.780 0.975 0.684 CB 1.573 80 residues pruned to eliminate duplicates Z: 64 51.958 2.087 0.671 0.750 0.984 0.698 CB 1.526 64 residues pruned to eliminate duplicates Z: 116 63.502 2.074 0.677 0.750 0.930 0.635 CB 1.465 116 residues pruned to eliminate duplicates Z: 100 62.980 2.108 0.650 0.744 0.970 0.707 CB 1.509 100 residues pruned to eliminate duplicates Z: 102 59.638 2.068 0.588 0.735 0.980 0.713 CB 1.492 102 residues pruned to eliminate duplicates Z: 64 55.048 2.090 0.770 0.767 0.984 0.635 CB 1.504 64 residues pruned to eliminate duplicates Z: 97 57.270 2.076 0.683 0.702 0.958 0.604 CB 1.452 97 residues pruned to eliminate duplicates Z: 101 61.768 2.092 0.645 0.730 0.980 0.630 CB 1.489 101 residues pruned to eliminate duplicates Z: 79 65.778 2.110 0.798 0.782 1.000 0.590 CB 1.531 79 residues pruned to eliminate duplicates Z: 79 65.045 2.116 0.745 0.784 0.987 0.731 CB 1.573 79 residues pruned to eliminate duplicates Z: 99 66.110 2.099 0.704 0.746 0.980 0.663 CB 1.529 99 residues pruned to eliminate duplicates Z: 100 60.448 2.093 0.619 0.738 0.970 0.677 CB 1.493 100 residues pruned to eliminate duplicates Z: 98 62.811 2.112 0.635 0.750 0.969 0.670 CB 1.524 98 residues pruned to eliminate duplicates Z: 99 63.006 2.110 0.627 0.738 0.980 0.612 CB 1.528 99 residues pruned to eliminate duplicates Z: 99 62.137 2.100 0.668 0.756 0.969 0.592 CB 1.472 99 residues pruned to eliminate duplicates Z: 99 65.394 2.112 0.673 0.750 0.980 0.704 CB 1.527 99 residues pruned to eliminate duplicates Z: 100 64.458 2.111 0.704 0.748 0.960 0.657 CB 1.503 100 residues pruned to eliminate duplicates Z: 80 57.641 2.072 0.706 0.732 0.962 0.633 CB 1.548 80 residues pruned to eliminate duplicates Z: 79 66.789 2.117 0.812 0.791 0.987 0.628 CB 1.547 79 residues pruned to eliminate duplicates Z: 98 63.314 2.101 0.665 0.753 0.979 0.619 CB 1.498 98 residues pruned to eliminate duplicates Z: 61 58.565 2.114 0.883 0.767 0.983 0.550 CB 1.525 61 residues pruned to eliminate duplicates Z: 100 64.702 2.096 0.700 0.746 0.970 0.586 CB 1.510 100 residues pruned to eliminate duplicates Z: 98 63.193 2.095 0.727 0.750 0.948 0.598 CB 1.497 98 residues pruned to eliminate duplicates Z: 100 66.167 2.103 0.758 0.750 0.970 0.535 CB 1.484 100 residues pruned to eliminate duplicates Z: 117 70.839 2.076 0.776 0.748 0.974 0.500 CB 1.468 117 residues pruned to eliminate duplicates Z: 55 46.654 2.107 0.672 0.736 0.963 0.556 CB 1.514 55 residues pruned to eliminate duplicates Z: 115 70.571 2.092 0.757 0.755 0.965 0.579 CB 1.484 116 residues pruned to eliminate duplicates Z: 19 33.000 2.077 0.913 0.897 0.889 0.444 CA 1.577 19 residues pruned to eliminate duplicates Z: 100 67.029 2.105 0.777 0.755 0.980 0.576 CB 1.464 100 residues pruned to eliminate duplicates Z: 100 63.901 2.084 0.810 0.739 0.949 0.485 CB 1.448 100 residues pruned to eliminate duplicates Z: 24 31.686 2.016 0.826 0.738 0.957 0.304 CA 1.516 24 residues pruned to eliminate duplicates Z: 116 68.837 2.068 0.789 0.742 0.991 0.539 CB 1.409 116 residues pruned to eliminate duplicates Z: 43 36.141 2.051 0.693 0.633 0.929 0.476 CB 1.526 43 residues pruned to eliminate duplicates Z: 46 34.846 2.027 0.738 0.667 0.867 0.467 CB 1.458 46 residues pruned to eliminate duplicates Z: 80 66.864 2.090 0.938 0.773 0.962 0.481 CB 1.517 80 residues pruned to eliminate duplicates Z: 40 38.244 2.091 0.769 0.704 0.923 0.487 CB 1.490 40 residues pruned to eliminate duplicates Z: 96 69.668 2.097 0.889 0.766 0.947 0.484 CB 1.504 96 residues pruned to eliminate duplicates Z: 26 29.857 1.936 0.906 0.698 0.920 0.560 CA 1.469 26 residues pruned to eliminate duplicates Z: 55 45.029 2.085 0.828 0.734 0.907 0.389 CB 1.436 55 residues pruned to eliminate duplicates Z: 101 68.551 2.091 0.853 0.742 0.960 0.510 CB 1.485 101 residues pruned to eliminate duplicates Z: 42 39.281 2.088 0.693 0.714 0.976 0.488 CB 1.465 42 residues pruned to eliminate duplicates Z: 98 69.612 2.086 0.824 0.764 1.000 0.464 CB 1.469 98 residues pruned to eliminate duplicates Z: 97 68.819 2.107 0.792 0.764 0.990 0.552 CB 1.486 97 residues pruned to eliminate duplicates Z: 24 16.550 1.957 0.375 0.593 0.913 0.522 CB 1.285 Z: 6 2.904 1.528 0.387 0.304 0.800 0.600 CB 0.953 6 residues pruned to eliminate duplicates Z: 21 16.720 2.045 0.219 0.686 0.900 0.600 CB 1.404 21 residues pruned to eliminate duplicates Z: 22 16.815 2.045 0.398 0.619 0.857 0.667 CB 1.338 22 residues pruned to eliminate duplicates Z: 24 16.337 2.014 0.296 0.560 0.913 0.609 CB 1.348 23 residues pruned to eliminate duplicates Z: 11 14.145 2.030 0.413 0.815 1.000 0.700 CA 1.187 11 residues pruned to eliminate duplicates Z: 97 67.897 2.088 0.807 0.765 0.969 0.490 CB 1.498 122 residues pruned to eliminate duplicates Z: 99 61.545 2.064 0.806 0.751 0.939 0.429 CB 1.421 99 residues pruned to eliminate duplicates Z: 95 65.191 2.093 0.762 0.771 0.947 0.553 CB 1.515 95 residues pruned to eliminate duplicates Z: 24 16.758 2.000 0.318 0.582 0.913 0.652 CB 1.341 Z: 11 16.903 2.083 0.741 0.823 0.900 0.600 CA 1.238 11 residues pruned to eliminate duplicates Z: 25 14.877 1.946 0.478 0.536 0.792 0.375 CB 1.287 25 residues pruned to eliminate duplicates Z: 98 69.024 2.093 0.845 0.760 0.969 0.598 CB 1.486 122 residues pruned to eliminate duplicates Z: 101 65.720 2.059 0.892 0.745 0.960 0.470 CB 1.411 101 residues pruned to eliminate duplicates Z: 101 63.743 2.065 0.840 0.738 0.940 0.550 CB 1.441 101 residues pruned to eliminate duplicates Z: 68 49.764 2.025 0.782 0.744 0.955 0.448 CB 1.418 68 residues pruned to eliminate duplicates Z: 97 62.401 2.085 0.792 0.712 0.948 0.542 CB 1.483 97 residues pruned to eliminate duplicates Z: 125 69.747 2.071 0.795 0.719 0.952 0.540 CB 1.452 105 residues pruned to eliminate duplicates Z: 27 26.751 1.984 0.480 0.882 0.962 0.885 CB 1.345 26 residues pruned to eliminate duplicates Z: 25 27.879 2.046 0.484 0.912 0.958 0.875 CB 1.384 24 residues pruned to eliminate duplicates Z: 27 30.173 2.046 0.552 0.897 1.000 0.885 CB 1.333 26 residues pruned to eliminate duplicates Z: 31 23.948 1.901 0.363 0.835 1.000 0.800 CB 1.263 30 residues pruned to eliminate duplicates Z: 27 23.618 1.953 0.269 0.931 1.000 0.923 CA 1.306 27 residues pruned to eliminate duplicates Z: 14 16.716 1.831 0.726 0.634 0.923 0.538 CB 1.402 14 residues pruned to eliminate duplicates Z: 23 24.920 2.072 0.636 0.755 0.909 0.773 CB 1.374 23 residues pruned to eliminate duplicates Z: 26 32.918 2.077 0.590 0.925 0.960 0.800 CA 1.458 26 residues pruned to eliminate duplicates Z: 30 33.948 2.031 0.723 0.863 0.966 0.517 CB 1.369 30 residues pruned to eliminate duplicates Z: 30 31.969 1.995 0.693 0.910 0.966 0.690 CB 1.291 30 residues pruned to eliminate duplicates Z: 40 33.800 2.032 0.673 0.785 0.923 0.538 CB 1.342 69 residues pruned to eliminate duplicates Z: 28 36.655 2.044 0.896 0.930 0.926 0.667 CB 1.375 28 residues pruned to eliminate duplicates Z: 26 42.041 2.100 0.955 0.940 1.000 0.760 CB 1.422 26 residues pruned to eliminate duplicates Z: 83 56.974 2.041 0.721 0.843 0.951 0.707 CB 1.402 106 residues pruned to eliminate duplicates Z: 29 35.238 2.036 0.732 0.933 0.964 0.643 CB 1.367 29 residues pruned to eliminate duplicates Z: 57 44.441 2.008 0.725 0.821 0.964 0.643 CB 1.346 57 residues pruned to eliminate duplicates Z: 27 33.587 2.059 0.682 0.923 0.962 0.654 CB 1.390 27 residues pruned to eliminate duplicates Z: 81 52.902 2.061 0.655 0.833 0.938 0.750 CB 1.387 81 residues pruned to eliminate duplicates Z: 28 35.173 2.037 0.870 0.858 0.963 0.667 CB 1.359 28 residues pruned to eliminate duplicates Z: 31 36.644 2.031 0.831 0.812 0.967 0.667 CB 1.418 31 residues pruned to eliminate duplicates Z: 26 34.612 2.030 0.920 0.846 0.960 0.600 CB 1.374 26 residues pruned to eliminate duplicates Z: 47 40.064 2.023 0.811 0.814 0.935 0.674 CB 1.313 47 residues pruned to eliminate duplicates Z: 54 44.991 2.037 0.814 0.837 0.943 0.604 CB 1.327 54 residues pruned to eliminate duplicates Z: 18 26.950 2.005 0.955 0.851 0.882 0.412 CB 1.399 20 residues pruned to eliminate duplicates Z: 28 38.481 2.081 0.842 0.910 0.963 0.519 CB 1.422 28 residues pruned to eliminate duplicates Z: 57 44.452 1.985 0.719 0.812 0.982 0.696 CB 1.351 25 residues pruned to eliminate duplicates Z: 22 29.270 2.059 0.767 0.890 0.952 0.810 CB 1.326 22 residues pruned to eliminate duplicates Z: 55 40.350 1.982 0.692 0.811 0.963 0.630 CB 1.297 55 residues pruned to eliminate duplicates Z: 17 17.413 1.890 0.706 0.760 0.938 0.750 CB 1.143 17 residues pruned to eliminate duplicates Z: 81 57.084 2.061 0.623 0.873 0.988 0.738 CB 1.407 58 residues pruned to eliminate duplicates Z: 18 20.790 1.983 0.595 0.912 0.941 0.824 CB 1.200 18 residues pruned to eliminate duplicates Z: 104 54.080 2.043 0.611 0.756 0.961 0.718 CB 1.341 104 residues pruned to eliminate duplicates Z: 26 22.547 1.982 0.479 0.911 0.920 0.680 CB 1.185 26 residues pruned to eliminate duplicates Z: 30 29.192 1.982 0.679 0.820 1.000 0.724 CB 1.234 30 residues pruned to eliminate duplicates Z: 81 62.912 2.074 0.847 0.871 0.963 0.688 CB 1.392 81 residues pruned to eliminate duplicates Z: 29 24.507 1.977 0.495 0.901 0.893 0.607 CB 1.253 29 residues pruned to eliminate duplicates Z: 79 56.180 2.056 0.828 0.845 0.936 0.603 CB 1.345 79 residues pruned to eliminate duplicates Z: 79 53.834 2.039 0.728 0.854 0.974 0.692 CB 1.312 79 residues pruned to eliminate duplicates Z: 82 59.747 2.070 0.836 0.846 0.938 0.617 CB 1.384 82 residues pruned to eliminate duplicates Z: 55 40.971 2.029 0.670 0.794 0.944 0.685 CB 1.346 55 residues pruned to eliminate duplicates Z: 56 44.788 2.067 0.697 0.842 0.945 0.745 CB 1.357 56 residues pruned to eliminate duplicates Z: 81 59.734 2.068 0.820 0.863 0.975 0.700 CB 1.335 81 residues pruned to eliminate duplicates Z: 43 45.289 2.084 0.863 0.849 0.952 0.786 CB 1.401 43 residues pruned to eliminate duplicates Z: 57 46.334 2.054 0.758 0.824 0.964 0.607 CB 1.343 57 residues pruned to eliminate duplicates Z: 82 60.842 2.050 0.878 0.859 0.951 0.617 CB 1.359 82 residues pruned to eliminate duplicates Z: 81 51.608 2.055 0.730 0.877 0.925 0.663 CB 1.274 81 residues pruned to eliminate duplicates Z: 81 59.630 2.072 0.760 0.866 0.963 0.738 CB 1.390 81 residues pruned to eliminate duplicates Z: 29 30.422 1.943 0.854 0.916 0.893 0.643 CB 1.262 29 residues pruned to eliminate duplicates Z: 54 47.549 2.028 1.018 0.832 0.981 0.434 CB 1.221 54 residues pruned to eliminate duplicates Z: 79 56.525 2.041 0.758 0.837 0.949 0.705 CB 1.406 79 residues pruned to eliminate duplicates Z: 80 56.196 2.040 0.814 0.837 0.949 0.633 CB 1.346 80 residues pruned to eliminate duplicates Z: 81 59.404 2.062 0.772 0.875 0.988 0.637 CB 1.339 81 residues pruned to eliminate duplicates Z: 57 47.462 2.050 0.815 0.838 0.946 0.607 CB 1.347 57 residues pruned to eliminate duplicates Z: 80 60.786 2.073 0.773 0.883 0.987 0.671 CB 1.363 80 residues pruned to eliminate duplicates Z: 28 28.028 1.985 0.649 0.924 0.963 0.593 CB 1.202 28 residues pruned to eliminate duplicates Z: 81 59.145 2.052 0.763 0.883 0.963 0.588 CB 1.373 81 residues pruned to eliminate duplicates Z: 42 47.278 2.091 0.887 0.857 0.951 0.756 CB 1.450 42 residues pruned to eliminate duplicates Z: 58 49.261 2.050 0.805 0.846 0.965 0.667 CB 1.358 58 residues pruned to eliminate duplicates Z: 82 58.955 2.045 0.750 0.870 0.988 0.667 CB 1.352 82 residues pruned to eliminate duplicates Z: 56 48.275 2.058 0.835 0.851 0.964 0.727 CB 1.324 56 residues pruned to eliminate duplicates Z: 23 29.472 2.086 0.463 0.925 1.000 0.955 CA 1.445 23 residues pruned to eliminate duplicates Z: 58 44.601 2.053 0.624 0.834 0.982 0.632 CB 1.351 58 residues pruned to eliminate duplicates Z: 26 37.791 2.137 0.893 0.816 0.960 0.800 CB 1.479 26 residues pruned to eliminate duplicates Z: 81 58.948 2.071 0.740 0.875 0.975 0.738 CB 1.364 81 residues pruned to eliminate duplicates Z: 80 57.777 2.073 0.755 0.863 0.975 0.646 CB 1.345 80 residues pruned to eliminate duplicates Z: 26 35.634 2.117 0.850 0.824 0.960 0.840 CB 1.432 26 residues pruned to eliminate duplicates Z: 26 38.869 2.108 0.956 0.840 1.000 0.840 CB 1.407 26 residues pruned to eliminate duplicates Z: 22 41.327 2.127 1.130 0.952 1.000 0.952 CB 1.371 23 residues pruned to eliminate duplicates Z: 23 32.814 2.059 0.764 0.954 1.000 0.818 CB 1.325 23 residues pruned to eliminate duplicates Z: 81 66.343 2.068 0.927 0.873 0.988 0.650 CB 1.373 80 residues pruned to eliminate duplicates Z: 23 36.930 2.119 0.899 0.917 1.000 0.773 CB 1.381 23 residues pruned to eliminate duplicates Z: 80 61.563 2.074 0.847 0.882 0.962 0.646 CB 1.360 80 residues pruned to eliminate duplicates Z: 50 51.161 2.079 0.899 0.881 1.000 0.735 CB 1.340 50 residues pruned to eliminate duplicates Z: 81 61.217 2.063 0.800 0.884 0.975 0.625 CB 1.366 81 residues pruned to eliminate duplicates Z: 79 63.259 2.092 0.836 0.881 0.987 0.628 CB 1.368 79 residues pruned to eliminate duplicates Z: 26 39.793 2.126 0.958 0.843 1.000 0.800 CB 1.423 26 residues pruned to eliminate duplicates Z: 63 49.286 2.030 0.867 0.820 0.968 0.613 CB 1.293 63 residues pruned to eliminate duplicates Z: 57 46.177 2.045 0.910 0.837 0.893 0.625 CB 1.323 57 residues pruned to eliminate duplicates Z: 58 48.986 2.041 0.857 0.838 0.930 0.596 CB 1.377 58 residues pruned to eliminate duplicates Z: 81 62.400 2.070 0.855 0.867 0.963 0.713 CB 1.381 81 residues pruned to eliminate duplicates Z: 21 16.872 1.791 0.532 0.886 0.900 0.800 CB 1.102 21 residues pruned to eliminate duplicates Z: 17 14.665 1.677 0.366 0.762 0.938 0.688 CB 1.353 17 residues pruned to eliminate duplicates Z: 14 19.670 1.933 0.861 0.905 0.923 0.769 CB 1.170 14 residues pruned to eliminate duplicates Z: 13 20.068 1.926 0.718 0.909 1.000 0.833 CB 1.243 13 residues pruned to eliminate duplicates Z: 15 19.893 1.905 0.973 0.895 0.929 0.714 CB 1.092 15 residues pruned to eliminate duplicates Z: 14 20.078 1.947 0.937 0.859 0.923 0.692 CB 1.177 14 residues pruned to eliminate duplicates Z: 15 20.792 1.898 1.024 0.829 0.929 0.571 CB 1.173 15 residues pruned to eliminate duplicates Z: 14 21.052 1.803 0.986 0.847 1.000 0.846 CB 1.210 14 residues pruned to eliminate duplicates Z: 14 21.096 1.778 1.106 0.919 0.923 0.769 CB 1.193 14 residues pruned to eliminate duplicates Z: 20 25.148 1.877 0.881 0.917 0.947 0.526 CB 1.217 20 residues pruned to eliminate duplicates Z: 18 20.990 1.853 0.870 0.903 0.941 0.647 CB 1.112 18 residues pruned to eliminate duplicates Z: 21 21.052 1.784 0.770 0.906 0.950 0.500 CB 1.116 21 residues pruned to eliminate duplicates Z: 20 23.110 1.851 0.871 0.911 0.947 0.579 CB 1.145 20 residues pruned to eliminate duplicates Z: 20 23.720 1.832 0.947 0.932 0.947 0.632 CB 1.125 20 residues pruned to eliminate duplicates Z: 34 26.809 1.838 0.937 0.806 0.879 0.515 CB 1.141 34 residues pruned to eliminate duplicates Z: 31 26.661 1.808 0.969 0.776 0.933 0.600 CB 1.148 31 residues pruned to eliminate duplicates Z: 21 23.355 1.782 0.995 0.922 0.950 0.650 CB 1.087 21 residues pruned to eliminate duplicates 306 residues left after pruning, divided into chains as follows: A: 13 B: 66 C: 181 D: 46 CC for partial structure against native data = 41.88 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.358, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.404, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.476, Connect. = 0.759 for dens.mod. cycle 3 = 0.300, Contrast = 0.477, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.483, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.486, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.491, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.494, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.497, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.499, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1714 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 378 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 35.269 2.090 0.972 0.905 1.000 0.882 CB 1.477 B: 26 31.516 2.072 0.574 0.928 0.960 0.840 CB 1.409 C: 27 32.880 2.085 0.596 0.932 0.962 0.923 CB 1.407 25 residues pruned to eliminate duplicates D: 24 32.640 2.027 0.605 0.922 1.000 0.696 CB 1.471 18 residues pruned to eliminate duplicates E: 28 31.007 1.977 0.511 0.924 1.000 0.815 CA 1.402 F: 22 17.440 1.993 0.070 0.915 1.000 0.952 CA 1.262 22 residues pruned to eliminate duplicates G: 23 32.841 2.126 0.828 0.906 0.955 0.864 CB 1.342 H: 24 30.273 2.035 0.604 0.951 1.000 0.565 CB 1.333 23 residues pruned to eliminate duplicates I: 29 35.011 2.055 0.609 0.901 1.000 0.893 CA 1.428 J: 23 29.879 2.133 0.578 0.915 1.000 0.818 CB 1.337 24 residues pruned to eliminate duplicates K: 30 28.303 1.937 0.600 0.900 0.931 0.586 CB 1.301 L: 30 27.100 1.995 0.265 0.892 0.966 0.931 CA 1.484 30 residues pruned to eliminate duplicates M: 22 40.059 2.171 0.989 0.909 1.000 0.857 CB 1.436 22 residues pruned to eliminate duplicates N: 31 33.595 1.985 0.531 0.881 1.000 0.833 CA 1.462 28 residues pruned to eliminate duplicates O: 29 33.024 2.125 0.499 0.904 0.964 0.857 CA 1.447 28 residues pruned to eliminate duplicates P: 23 28.228 2.060 0.461 0.945 1.000 0.864 CB 1.383 23 residues pruned to eliminate duplicates Q: 27 25.631 1.883 0.672 0.912 0.962 0.615 CB 1.176 R: 22 32.863 2.151 0.612 0.942 1.000 1.000 CB 1.434 22 residues pruned to eliminate duplicates S: 13 17.495 2.053 0.396 0.802 0.917 0.667 CB 1.477 13 residues pruned to eliminate duplicates T: 26 34.710 2.041 0.708 0.949 0.920 0.880 CA 1.494 24 residues pruned to eliminate duplicates U: 28 30.835 2.061 0.528 0.925 0.926 0.889 CB 1.429 28 residues pruned to eliminate duplicates V: 29 27.864 1.939 0.862 0.913 0.893 0.464 CB 1.157 30 residues pruned to eliminate duplicates W: 19 22.744 1.826 0.826 0.914 1.000 0.778 CB 1.137 X: 27 30.489 1.923 0.795 0.949 1.000 0.769 CB 1.196 27 residues pruned to eliminate duplicates Y: 21 36.009 2.190 0.861 0.919 1.000 0.850 CB 1.392 21 residues pruned to eliminate duplicates Z: 29 48.462 2.143 0.836 0.944 0.964 0.464 CA 1.672 30 residues pruned to eliminate duplicates Z: 30 25.826 1.978 0.516 0.900 0.931 0.517 CB 1.227 30 residues pruned to eliminate duplicates Z: 27 27.779 2.012 0.243 0.940 1.000 0.962 CA 1.513 27 residues pruned to eliminate duplicates Z: 29 48.093 2.148 0.887 0.920 0.964 0.536 CA 1.638 29 residues pruned to eliminate duplicates Z: 26 31.325 2.104 0.542 0.931 0.960 0.880 CB 1.405 26 residues pruned to eliminate duplicates Z: 12 17.890 1.987 0.554 0.935 1.000 0.818 CB 1.217 12 residues pruned to eliminate duplicates Z: 24 21.541 1.808 0.748 0.861 0.957 0.696 CB 1.091 Z: 31 34.305 2.013 0.421 0.937 1.000 0.833 CA 1.524 30 residues pruned to eliminate duplicates Z: 30 47.400 2.068 0.893 0.932 0.966 0.586 CB 1.626 30 residues pruned to eliminate duplicates Z: 31 28.762 1.898 0.722 0.887 0.933 0.567 CB 1.240 30 residues pruned to eliminate duplicates Z: 30 42.863 2.106 0.735 0.939 0.966 0.862 CA 1.567 30 residues pruned to eliminate duplicates Z: 25 39.337 2.088 0.908 0.912 1.000 0.417 CB 1.427 26 residues pruned to eliminate duplicates Z: 23 17.948 2.029 0.246 0.623 0.955 0.591 CB 1.412 Z: 30 37.433 1.946 1.007 0.863 0.862 0.379 CA 1.515 30 residues pruned to eliminate duplicates Z: 21 19.948 2.102 0.075 0.932 1.000 0.950 CA 1.378 21 residues pruned to eliminate duplicates Z: 25 25.590 2.034 0.313 0.946 1.000 1.000 CA 1.352 25 residues pruned to eliminate duplicates Z: 11 16.134 1.926 0.546 0.855 1.000 0.400 CB 1.265 11 residues pruned to eliminate duplicates Z: 31 28.714 1.955 0.486 0.834 0.967 0.833 CA 1.399 32 residues pruned to eliminate duplicates Z: 29 36.242 2.130 0.537 0.899 0.964 0.857 CA 1.551 29 residues pruned to eliminate duplicates Z: 26 28.399 2.040 0.341 0.939 1.000 0.840 CA 1.443 26 residues pruned to eliminate duplicates Z: 37 30.800 2.036 0.247 0.878 0.972 0.889 CA 1.509 27 residues pruned to eliminate duplicates Z: 20 26.073 2.087 0.744 0.918 0.895 0.632 CB 1.296 20 residues pruned to eliminate duplicates Z: 27 30.094 2.011 0.420 0.889 1.000 0.846 CB 1.488 27 residues pruned to eliminate duplicates Z: 31 49.275 2.022 0.985 0.895 1.000 0.400 CB 1.606 30 residues pruned to eliminate duplicates Z: 24 22.561 1.801 0.807 0.874 1.000 0.783 CB 1.052 24 residues pruned to eliminate duplicates Z: 23 34.770 1.973 0.855 0.911 0.955 0.773 CB 1.504 23 residues pruned to eliminate duplicates Z: 30 50.223 2.085 1.059 0.923 0.966 0.517 CA 1.581 30 residues pruned to eliminate duplicates Z: 27 25.815 2.046 0.328 0.931 0.962 0.885 CB 1.354 27 residues pruned to eliminate duplicates Z: 37 34.903 2.037 0.386 0.877 0.972 0.861 CA 1.540 37 residues pruned to eliminate duplicates Z: 31 34.769 1.938 0.736 0.847 0.933 0.533 CA 1.500 31 residues pruned to eliminate duplicates Z: 24 40.174 2.015 1.078 0.915 0.870 0.348 CA 1.626 24 residues pruned to eliminate duplicates Z: 30 35.611 2.089 0.437 0.936 1.000 0.897 CA 1.534 30 residues pruned to eliminate duplicates Z: 18 19.283 1.836 0.534 0.871 1.000 0.706 CB 1.211 18 residues pruned to eliminate duplicates Z: 24 39.371 2.112 0.771 0.919 1.000 0.609 CA 1.546 24 residues pruned to eliminate duplicates Z: 31 36.026 2.008 0.510 0.920 1.000 0.800 CA 1.528 31 residues pruned to eliminate duplicates Z: 10 13.496 2.047 0.315 0.882 1.000 0.889 CA 1.209 10 residues pruned to eliminate duplicates Z: 29 28.838 1.986 0.532 0.871 0.964 0.714 CB 1.354 29 residues pruned to eliminate duplicates Z: 24 32.223 2.130 0.563 0.906 0.957 0.739 CA 1.501 24 residues pruned to eliminate duplicates Z: 24 23.071 1.840 0.698 0.907 1.000 0.652 CB 1.094 24 residues pruned to eliminate duplicates Z: 17 24.033 1.910 0.817 0.890 1.000 0.750 CB 1.246 17 residues pruned to eliminate duplicates Z: 19 31.867 2.030 0.831 0.922 1.000 0.833 CA 1.422 19 residues pruned to eliminate duplicates Z: 23 35.819 2.141 0.802 0.912 1.000 0.864 CB 1.402 23 residues pruned to eliminate duplicates Z: 20 25.137 1.952 0.765 0.875 0.947 0.316 CB 1.284 19 residues pruned to eliminate duplicates Z: 29 30.667 1.994 0.469 0.883 0.964 0.714 CA 1.484 29 residues pruned to eliminate duplicates Z: 31 27.691 1.941 0.588 0.879 0.967 0.567 CB 1.230 31 residues pruned to eliminate duplicates Z: 29 31.235 1.907 0.740 0.901 0.964 0.679 CB 1.316 28 residues pruned to eliminate duplicates Z: 30 31.352 2.049 0.492 0.854 0.966 0.759 CA 1.457 30 residues pruned to eliminate duplicates Z: 15 16.450 1.823 0.579 0.676 0.929 0.786 CA 1.399 14 residues pruned to eliminate duplicates Z: 10 15.666 2.060 0.514 0.895 1.000 0.556 CA 1.200 10 residues pruned to eliminate duplicates Z: 26 35.149 2.083 0.661 0.935 0.960 0.760 CB 1.475 26 residues pruned to eliminate duplicates Z: 29 38.346 2.112 0.723 0.919 0.857 0.607 CB 1.637 30 residues pruned to eliminate duplicates Z: 28 28.564 2.003 0.417 0.892 1.000 0.852 CA 1.391 28 residues pruned to eliminate duplicates Z: 17 31.111 1.971 0.930 0.921 1.000 0.562 CA 1.439 18 residues pruned to eliminate duplicates Z: 27 39.147 2.083 0.939 0.939 0.962 0.423 CB 1.373 26 residues pruned to eliminate duplicates Z: 30 30.018 1.963 0.637 0.892 0.931 0.724 CB 1.338 30 residues pruned to eliminate duplicates Z: 29 32.521 2.005 0.894 0.849 0.857 0.321 CB 1.400 29 residues pruned to eliminate duplicates Z: 45 35.079 2.094 0.566 0.688 0.955 0.568 CB 1.422 48 residues pruned to eliminate duplicates Z: 24 18.437 1.991 0.360 0.603 0.913 0.696 CB 1.410 23 residues pruned to eliminate duplicates Z: 23 47.437 2.166 0.998 0.934 0.955 0.500 CA 1.707 23 residues pruned to eliminate duplicates Z: 15 15.114 1.760 0.630 0.907 1.000 0.571 CB 1.001 15 residues pruned to eliminate duplicates Z: 25 21.810 1.823 0.645 0.928 1.000 0.792 CB 1.039 25 residues pruned to eliminate duplicates Z: 31 31.919 2.022 0.542 0.825 0.933 0.700 CA 1.511 31 residues pruned to eliminate duplicates Z: 15 20.342 1.842 0.769 0.898 0.929 0.786 CB 1.285 15 residues pruned to eliminate duplicates Z: 27 42.895 2.066 0.963 0.959 1.000 0.577 CB 1.421 27 residues pruned to eliminate duplicates Z: 27 30.038 1.938 0.895 0.909 0.885 0.308 CB 1.287 27 residues pruned to eliminate duplicates Z: 30 23.576 1.948 0.380 0.906 0.931 0.724 CB 1.244 30 residues pruned to eliminate duplicates Z: 31 38.519 1.985 0.916 0.870 0.900 0.533 CB 1.500 32 residues pruned to eliminate duplicates Z: 26 29.380 1.960 0.521 0.922 0.960 0.880 CA 1.443 26 residues pruned to eliminate duplicates Z: 18 23.498 1.831 0.855 0.891 0.882 0.353 CB 1.367 17 residues pruned to eliminate duplicates Z: 19 40.617 2.090 1.135 0.943 0.944 0.500 CA 1.574 19 residues pruned to eliminate duplicates Z: 24 36.413 2.052 0.795 0.923 0.957 0.435 CA 1.514 24 residues pruned to eliminate duplicates Z: 29 24.485 1.982 0.414 0.903 0.929 0.714 CB 1.267 29 residues pruned to eliminate duplicates Z: 28 45.368 2.149 0.798 0.929 1.000 0.741 CA 1.581 28 residues pruned to eliminate duplicates Z: 29 23.200 1.983 0.256 0.904 0.964 0.857 CB 1.300 29 residues pruned to eliminate duplicates Z: 24 27.494 2.054 0.298 0.907 1.000 0.870 CA 1.529 24 residues pruned to eliminate duplicates Z: 15 34.194 2.265 0.941 0.941 1.000 0.571 CB 1.443 15 residues pruned to eliminate duplicates Z: 100 53.892 2.028 0.726 0.684 0.929 0.414 CB 1.407 105 residues pruned to eliminate duplicates Z: 30 24.730 1.951 0.443 0.903 0.931 0.586 CB 1.248 30 residues pruned to eliminate duplicates Z: 11 13.762 1.989 0.355 0.854 0.900 0.500 CA 1.325 11 residues pruned to eliminate duplicates Z: 38 35.945 2.011 0.455 0.884 1.000 0.892 CA 1.459 38 residues pruned to eliminate duplicates Z: 30 27.613 1.974 0.613 0.912 0.931 0.793 CB 1.225 30 residues pruned to eliminate duplicates Z: 21 25.502 2.036 0.821 0.932 0.850 0.650 CB 1.265 21 residues pruned to eliminate duplicates Z: 11 15.099 1.929 0.488 0.839 0.900 0.400 CB 1.380 11 residues pruned to eliminate duplicates Z: 10 15.709 2.048 0.444 0.905 1.000 0.556 CA 1.260 10 residues pruned to eliminate duplicates Z: 23 37.358 2.113 1.012 0.913 1.000 0.682 CB 1.327 23 residues pruned to eliminate duplicates Z: 29 32.572 1.914 0.703 0.928 1.000 0.679 CB 1.323 30 residues pruned to eliminate duplicates Z: 25 39.273 2.045 0.920 0.950 1.000 0.375 CB 1.408 26 residues pruned to eliminate duplicates Z: 18 19.689 1.973 0.379 0.898 1.000 0.941 CB 1.255 18 residues pruned to eliminate duplicates Z: 26 37.044 2.052 0.871 0.906 0.960 0.680 CB 1.430 26 residues pruned to eliminate duplicates Z: 64 49.249 2.038 0.700 0.715 0.952 0.444 CB 1.548 64 residues pruned to eliminate duplicates Z: 25 33.459 2.058 0.580 0.941 1.000 0.917 CA 1.458 25 residues pruned to eliminate duplicates Z: 22 29.736 1.866 0.931 0.933 1.000 0.810 CB 1.257 22 residues pruned to eliminate duplicates Z: 29 25.267 1.941 0.417 0.916 0.929 0.714 CB 1.321 29 residues pruned to eliminate duplicates Z: 24 20.611 2.011 0.255 0.933 1.000 0.957 CA 1.189 24 residues pruned to eliminate duplicates Z: 29 50.658 2.121 0.930 0.942 1.000 0.607 CB 1.623 29 residues pruned to eliminate duplicates Z: 24 23.017 1.870 0.470 0.856 0.957 0.783 CB 1.346 24 residues pruned to eliminate duplicates Z: 25 28.936 2.049 0.499 0.922 0.958 0.875 CB 1.411 25 residues pruned to eliminate duplicates Z: 30 33.253 2.046 0.494 0.918 0.966 0.828 CA 1.476 30 residues pruned to eliminate duplicates Z: 26 30.947 1.943 0.618 0.935 1.000 0.560 CA 1.373 26 residues pruned to eliminate duplicates Z: 29 37.409 1.977 0.745 0.909 0.964 0.750 CA 1.508 29 residues pruned to eliminate duplicates Z: 15 20.435 1.912 0.474 0.914 1.000 0.714 CB 1.371 15 residues pruned to eliminate duplicates Z: 21 16.348 1.756 0.772 0.798 0.900 0.750 CB 1.005 21 residues pruned to eliminate duplicates Z: 29 55.332 2.132 1.056 0.936 1.000 0.500 CA 1.662 29 residues pruned to eliminate duplicates Z: 30 30.383 1.966 0.658 0.885 0.931 0.552 CB 1.342 30 residues pruned to eliminate duplicates Z: 15 32.462 2.238 1.066 0.924 0.929 0.714 CB 1.419 15 residues pruned to eliminate duplicates Z: 29 29.083 1.980 0.494 0.932 1.000 0.750 CB 1.297 29 residues pruned to eliminate duplicates Z: 19 13.804 1.788 0.307 0.918 0.944 0.833 CB 1.040 19 residues pruned to eliminate duplicates Z: 97 57.699 2.056 0.730 0.726 0.938 0.521 CB 1.441 96 residues pruned to eliminate duplicates Z: 10 16.005 1.850 0.514 0.919 1.000 0.889 CB 1.342 10 residues pruned to eliminate duplicates Z: 20 19.248 1.778 0.832 0.893 0.895 0.789 CB 1.088 20 residues pruned to eliminate duplicates Z: 21 36.623 2.160 1.147 0.942 0.950 0.650 CB 1.289 21 residues pruned to eliminate duplicates Z: 14 29.231 2.266 0.483 0.923 1.000 1.000 CA 1.696 14 residues pruned to eliminate duplicates Z: 25 38.965 2.056 0.946 0.939 0.958 0.542 CB 1.441 25 residues pruned to eliminate duplicates Z: 11 19.766 1.858 0.499 0.919 1.000 0.900 CA 1.582 11 residues pruned to eliminate duplicates Z: 12 11.969 1.785 0.305 0.821 1.000 0.818 CB 1.174 Z: 11 15.956 2.036 0.650 0.835 0.900 0.500 CA 1.250 11 residues pruned to eliminate duplicates Z: 29 33.328 2.009 0.796 0.885 0.929 0.536 CB 1.358 29 residues pruned to eliminate duplicates Z: 12 12.557 1.702 0.743 0.887 0.909 0.636 CA 1.012 Z: 24 33.950 2.066 0.804 0.830 0.957 0.565 CB 1.493 21 residues pruned to eliminate duplicates Z: 10 13.464 2.008 0.289 0.864 1.000 0.667 CA 1.271 10 residues pruned to eliminate duplicates Z: 14 16.046 1.871 0.661 0.898 0.923 0.615 CB 1.110 14 residues pruned to eliminate duplicates Z: 25 18.574 1.769 0.540 0.898 0.958 0.833 CB 1.038 25 residues pruned to eliminate duplicates Z: 23 24.995 1.958 0.599 0.890 1.000 0.727 CB 1.225 23 residues pruned to eliminate duplicates Z: 29 37.376 2.122 0.529 0.925 1.000 0.893 CA 1.528 29 residues pruned to eliminate duplicates Z: 29 26.695 2.003 0.458 0.904 0.893 0.679 CB 1.377 29 residues pruned to eliminate duplicates Z: 22 35.531 2.104 1.026 0.934 1.000 0.571 CB 1.268 23 residues pruned to eliminate duplicates Z: 17 22.443 1.957 0.652 0.921 1.000 0.750 CB 1.221 17 residues pruned to eliminate duplicates Z: 32 34.424 1.903 0.614 0.860 1.000 0.484 CB 1.481 32 residues pruned to eliminate duplicates Z: 31 29.796 1.924 0.814 0.873 0.900 0.500 CB 1.261 31 residues pruned to eliminate duplicates Z: 28 31.699 1.985 0.793 0.908 0.926 0.519 CB 1.314 25 residues pruned to eliminate duplicates Z: 27 19.703 1.559 0.587 0.906 1.000 0.846 CA 1.111 12 residues pruned to eliminate duplicates Z: 10 9.737 1.884 0.098 0.846 1.000 0.889 CB 1.165 11 residues pruned to eliminate duplicates Z: 28 35.916 2.008 0.942 0.908 0.926 0.556 CB 1.360 29 residues pruned to eliminate duplicates Z: 18 21.431 1.909 0.654 0.893 1.000 0.765 CB 1.182 17 residues pruned to eliminate duplicates Z: 30 27.047 1.928 0.539 0.891 0.931 0.655 CB 1.307 30 residues pruned to eliminate duplicates Z: 12 8.978 1.554 0.442 0.853 1.000 0.818 CB 0.893 Z: 11 9.228 1.810 0.518 0.785 0.800 0.500 CB 1.033 11 residues pruned to eliminate duplicates Z: 25 36.672 2.094 0.777 0.948 0.958 0.542 CB 1.449 25 residues pruned to eliminate duplicates Z: 31 29.318 1.939 0.688 0.816 0.867 0.500 CB 1.434 31 residues pruned to eliminate duplicates Z: 13 5.789 1.568 0.706 0.775 0.833 0.417 CB 0.588 13 residues pruned to eliminate duplicates Z: 20 15.469 1.814 0.330 0.878 0.947 0.789 CB 1.127 20 residues pruned to eliminate duplicates Z: 28 28.528 1.915 0.726 0.923 1.000 0.630 CB 1.167 28 residues pruned to eliminate duplicates Z: 26 37.822 2.073 0.933 0.956 0.960 0.560 CB 1.350 26 residues pruned to eliminate duplicates Z: 12 9.760 1.827 0.287 0.867 0.909 0.727 CA 1.007 12 residues pruned to eliminate duplicates Z: 28 34.252 1.963 0.587 0.922 1.000 0.519 CA 1.488 28 residues pruned to eliminate duplicates Z: 18 20.941 1.832 0.468 0.923 0.941 0.529 CB 1.410 18 residues pruned to eliminate duplicates Z: 15 16.984 1.784 0.666 0.737 0.857 0.429 CB 1.439 15 residues pruned to eliminate duplicates Z: 24 28.424 2.058 0.508 0.932 0.957 0.913 CB 1.394 24 residues pruned to eliminate duplicates Z: 29 33.805 2.061 0.535 0.889 0.964 0.750 CA 1.508 29 residues pruned to eliminate duplicates Z: 35 29.495 2.011 0.439 0.874 0.882 0.824 CB 1.441 35 residues pruned to eliminate duplicates Z: 29 31.262 2.037 0.513 0.890 0.964 0.821 CA 1.430 29 residues pruned to eliminate duplicates Z: 22 35.450 2.117 0.871 0.936 0.952 0.381 CB 1.428 22 residues pruned to eliminate duplicates Z: 25 27.637 1.890 0.784 0.869 1.000 0.667 CB 1.222 25 residues pruned to eliminate duplicates Z: 28 41.426 2.097 0.925 0.953 0.852 0.370 CB 1.595 28 residues pruned to eliminate duplicates Z: 11 13.526 1.912 0.551 0.806 0.900 0.600 CA 1.226 11 residues pruned to eliminate duplicates Z: 11 15.676 1.956 0.468 0.797 1.000 0.800 CB 1.330 11 residues pruned to eliminate duplicates Z: 39 17.624 1.738 0.503 0.651 0.789 0.500 CB 1.204 51 residues pruned to eliminate duplicates Z: 26 36.641 1.939 0.953 0.939 1.000 0.400 CB 1.345 25 residues pruned to eliminate duplicates Z: 20 17.303 1.604 0.730 0.867 0.947 0.474 CA 1.105 20 residues pruned to eliminate duplicates Z: 28 30.599 1.993 0.816 0.926 0.963 0.667 CB 1.184 28 residues pruned to eliminate duplicates Z: 19 16.668 1.763 0.800 0.865 0.944 0.667 CB 0.960 19 residues pruned to eliminate duplicates Z: 28 37.599 1.992 0.933 0.918 0.963 0.556 CB 1.376 28 residues pruned to eliminate duplicates Z: 10 11.311 1.706 0.423 0.885 1.000 0.667 CB 1.121 Z: 10 8.852 1.654 0.421 0.890 0.889 0.778 CB 1.017 10 residues pruned to eliminate duplicates Z: 26 23.990 2.061 0.289 0.914 0.960 0.840 CB 1.330 26 residues pruned to eliminate duplicates Z: 26 25.987 2.050 0.344 0.931 0.960 0.920 CB 1.373 26 residues pruned to eliminate duplicates Z: 10 15.925 2.013 0.878 0.908 0.889 0.556 CB 1.122 10 residues pruned to eliminate duplicates Z: 7 3.333 1.367 0.615 0.308 0.667 0.500 O 1.144 Z: 24 24.206 2.016 0.539 0.860 0.913 0.652 CB 1.310 24 residues pruned to eliminate duplicates Z: 6 6.522 1.899 0.182 0.751 0.800 0.800 CB 1.298 6 residues pruned to eliminate duplicates Z: 29 25.949 2.001 0.374 0.914 0.929 0.821 CB 1.359 29 residues pruned to eliminate duplicates Z: 30 25.669 1.939 0.595 0.900 0.931 0.655 CB 1.183 30 residues pruned to eliminate duplicates Z: 12 9.793 1.517 0.454 0.845 1.000 1.000 CB 0.995 11 residues pruned to eliminate duplicates Z: 29 32.069 2.143 0.427 0.755 1.000 0.679 CA 1.579 29 residues pruned to eliminate duplicates Z: 24 26.734 1.995 0.492 0.856 0.913 0.696 CA 1.512 24 residues pruned to eliminate duplicates Z: 27 24.601 1.913 0.429 0.922 1.000 0.731 CB 1.241 27 residues pruned to eliminate duplicates Z: 17 17.368 1.911 0.635 0.870 0.938 0.688 CB 1.082 17 residues pruned to eliminate duplicates Z: 17 12.864 1.768 0.238 0.933 1.000 0.938 CB 1.025 17 residues pruned to eliminate duplicates Z: 24 30.826 1.981 0.763 0.902 0.957 0.652 CB 1.372 24 residues pruned to eliminate duplicates Z: 19 14.926 1.913 0.058 0.893 0.889 0.778 CB 1.403 19 residues pruned to eliminate duplicates Z: 20 16.395 1.781 0.533 0.860 0.947 0.684 CB 1.069 20 residues pruned to eliminate duplicates Z: 28 29.211 1.996 0.697 0.930 0.926 0.481 CB 1.254 28 residues pruned to eliminate duplicates Z: 100 60.240 2.055 0.776 0.701 0.949 0.414 CB 1.454 100 residues pruned to eliminate duplicates Z: 24 40.292 2.089 0.820 0.913 0.957 0.435 CA 1.635 24 residues pruned to eliminate duplicates Z: 11 13.360 1.659 0.788 0.873 1.000 0.900 CA 1.038 11 residues pruned to eliminate duplicates Z: 10 19.235 1.942 0.614 0.875 1.000 0.778 CB 1.488 10 residues pruned to eliminate duplicates Z: 25 19.465 1.617 0.694 0.913 1.000 0.833 CA 1.026 25 residues pruned to eliminate duplicates Z: 26 41.080 2.058 0.918 0.952 1.000 0.680 CB 1.434 26 residues pruned to eliminate duplicates Z: 12 10.017 1.791 0.456 0.708 0.818 0.545 CA 1.172 12 residues pruned to eliminate duplicates Z: 14 13.960 1.817 0.543 0.776 0.923 0.923 CB 1.173 11 residues pruned to eliminate duplicates Z: 8 4.956 1.572 0.089 0.438 1.000 0.714 CB 1.166 6 residues pruned to eliminate duplicates Z: 20 19.867 1.800 0.781 0.907 0.947 0.526 CB 1.067 20 residues pruned to eliminate duplicates Z: 10 10.783 1.896 0.009 0.872 1.000 0.667 CA 1.369 10 residues pruned to eliminate duplicates Z: 25 19.840 1.595 0.617 0.932 1.000 0.792 CA 1.096 25 residues pruned to eliminate duplicates Z: 33 28.949 1.871 0.581 0.876 0.906 0.656 CB 1.387 33 residues pruned to eliminate duplicates Z: 11 9.692 1.832 0.226 0.814 0.800 0.600 CB 1.297 11 residues pruned to eliminate duplicates Z: 29 28.582 1.974 0.745 0.909 0.929 0.500 CB 1.199 29 residues pruned to eliminate duplicates Z: 7 5.293 1.760 0.551 0.491 1.000 0.667 CB 0.798 7 residues pruned to eliminate duplicates Z: 35 38.668 2.060 0.522 0.897 0.971 0.559 CB 1.560 35 residues pruned to eliminate duplicates Z: 51 24.440 1.920 0.479 0.561 0.820 0.600 CB 1.399 26 residues pruned to eliminate duplicates Z: 23 29.093 2.065 0.446 0.927 1.000 0.955 CB 1.456 23 residues pruned to eliminate duplicates Z: 28 54.091 2.148 1.002 0.961 1.000 0.556 CA 1.656 28 residues pruned to eliminate duplicates Z: 12 13.830 1.914 0.449 0.863 1.000 0.636 CA 1.104 12 residues pruned to eliminate duplicates Z: 33 39.755 2.086 0.634 0.842 1.000 0.750 CA 1.537 33 residues pruned to eliminate duplicates Z: 54 43.083 1.989 0.758 0.855 0.943 0.509 CB 1.324 85 residues pruned to eliminate duplicates Z: 102 60.585 2.032 0.768 0.723 0.941 0.416 CB 1.459 102 residues pruned to eliminate duplicates Z: 11 10.436 1.865 0.204 0.756 0.900 0.800 CB 1.300 11 residues pruned to eliminate duplicates Z: 6 8.457 1.884 0.390 0.820 1.000 0.400 CA 1.094 Z: 23 36.209 2.109 1.059 0.913 0.955 0.682 CB 1.318 22 residues pruned to eliminate duplicates Z: 30 23.227 1.963 0.313 0.909 0.931 0.793 CB 1.276 6 residues pruned to eliminate duplicates Z: 96 59.962 2.049 0.762 0.710 0.947 0.421 CB 1.486 96 residues pruned to eliminate duplicates Z: 25 20.796 1.617 0.679 0.923 1.000 0.792 CB 1.099 25 residues pruned to eliminate duplicates Z: 21 19.511 1.625 0.653 0.922 1.000 0.800 CB 1.142 21 residues pruned to eliminate duplicates Z: 15 8.436 1.731 0.226 0.708 0.786 0.643 CB 1.119 15 residues pruned to eliminate duplicates Z: 30 23.659 1.956 0.395 0.834 0.897 0.759 CB 1.347 30 residues pruned to eliminate duplicates Z: 10 11.590 1.602 0.463 0.861 1.000 0.778 CB 1.212 10 residues pruned to eliminate duplicates Z: 27 34.557 2.008 0.835 0.930 0.962 0.654 CB 1.337 27 residues pruned to eliminate duplicates Z: 29 31.025 2.002 0.682 0.926 0.964 0.607 CB 1.266 30 residues pruned to eliminate duplicates Z: 10 9.477 1.710 0.668 0.831 0.889 0.889 CB 0.936 11 residues pruned to eliminate duplicates Z: 27 34.345 2.059 0.805 0.935 0.923 0.654 CB 1.369 27 residues pruned to eliminate duplicates Z: 13 12.282 1.600 0.509 0.891 1.000 0.833 CB 1.055 13 residues pruned to eliminate duplicates Z: 16 14.771 1.665 0.580 0.873 0.933 0.733 CA 1.131 16 residues pruned to eliminate duplicates Z: 11 8.702 1.732 0.461 0.817 0.900 0.700 CB 0.917 11 residues pruned to eliminate duplicates Z: 34 45.406 2.180 0.891 0.756 0.970 0.576 CB 1.575 37 residues pruned to eliminate duplicates Z: 18 19.581 1.941 0.540 0.932 0.941 0.824 CB 1.180 18 residues pruned to eliminate duplicates Z: 88 40.032 1.924 0.700 0.603 0.874 0.425 CB 1.362 88 residues pruned to eliminate duplicates Z: 6 3.470 1.494 0.158 0.864 1.000 0.600 CB 0.658 6 residues pruned to eliminate duplicates Z: 17 14.816 1.892 0.111 0.880 1.000 0.875 CA 1.276 17 residues pruned to eliminate duplicates 6 1.035 1.493 0.147 0.344 0.600 0.600 CB 0.534 ? Z: 6 2.407 1.469 0.018 0.521 0.600 0.600 CB 1.175 Z: 45 32.608 2.016 0.420 0.727 0.955 0.705 CA 1.465 45 residues pruned to eliminate duplicates Z: 11 9.125 1.853 0.200 0.800 0.800 0.800 CB 1.247 11 residues pruned to eliminate duplicates Z: 12 13.473 1.913 0.497 0.793 0.909 0.545 CA 1.206 12 residues pruned to eliminate duplicates Z: 51 35.587 1.992 0.484 0.673 0.980 0.640 CA 1.480 51 residues pruned to eliminate duplicates Z: 6 3.496 1.123 0.396 0.853 1.000 1.000 N 0.737 Z: 14 10.651 1.740 0.317 0.733 0.923 0.615 CB 1.133 14 residues pruned to eliminate duplicates Z: 40 33.782 2.030 0.673 0.698 0.897 0.436 CA 1.481 40 residues pruned to eliminate duplicates Z: 26 37.350 2.006 0.826 0.953 1.000 0.640 CB 1.404 26 residues pruned to eliminate duplicates Z: 28 37.014 2.059 0.800 0.932 0.926 0.667 CB 1.450 28 residues pruned to eliminate duplicates Z: 17 14.189 1.660 0.448 0.917 1.000 0.875 CA 1.042 17 residues pruned to eliminate duplicates Z: 11 13.240 1.816 0.443 0.889 0.900 0.900 CB 1.278 11 residues pruned to eliminate duplicates Z: 25 21.162 1.993 0.712 0.634 0.833 0.542 CB 1.340 25 residues pruned to eliminate duplicates Z: 20 24.230 1.843 0.908 0.787 1.000 0.579 CB 1.228 20 residues pruned to eliminate duplicates Z: 11 12.678 1.764 0.801 0.889 0.900 0.400 CB 1.009 11 residues pruned to eliminate duplicates Z: 30 32.819 2.085 0.556 0.736 1.000 0.759 CA 1.519 30 residues pruned to eliminate duplicates 7 1.844 1.425 0.881 0.149 0.667 0.167 CA 0.649 ? Z: 12 23.786 2.008 0.619 0.874 1.000 0.455 CA 1.605 12 residues pruned to eliminate duplicates Z: 30 31.321 1.988 0.618 0.880 0.931 0.655 CB 1.408 30 residues pruned to eliminate duplicates Z: 12 21.152 2.161 0.380 0.904 1.000 0.727 CB 1.524 12 residues pruned to eliminate duplicates Z: 65 43.866 2.056 0.564 0.773 0.953 0.781 CB 1.405 66 residues pruned to eliminate duplicates Z: 17 14.965 1.613 0.615 0.874 0.938 0.688 CB 1.115 19 residues pruned to eliminate duplicates Z: 11 13.892 1.997 0.440 0.846 1.000 0.700 CA 1.135 11 residues pruned to eliminate duplicates Z: 26 26.257 2.074 0.372 0.910 0.920 0.880 CB 1.423 26 residues pruned to eliminate duplicates Z: 11 8.745 1.527 0.371 0.856 1.000 0.600 CB 0.974 11 residues pruned to eliminate duplicates Z: 20 18.903 2.061 0.330 0.655 1.000 0.684 CB 1.370 20 residues pruned to eliminate duplicates Z: 42 39.955 2.058 0.698 0.816 0.976 0.805 CB 1.391 42 residues pruned to eliminate duplicates 6 1.435 1.121 0.406 0.297 1.000 0.800 N 0.511 ? Z: 11 7.996 1.524 0.113 0.800 1.000 0.800 CB 1.147 11 residues pruned to eliminate duplicates Z: 65 49.822 2.029 0.763 0.763 0.953 0.453 CB 1.446 65 residues pruned to eliminate duplicates Z: 29 37.255 2.119 0.690 0.894 0.893 0.643 CA 1.579 29 residues pruned to eliminate duplicates Z: 14 27.079 2.178 0.798 0.898 1.000 0.615 CA 1.372 14 residues pruned to eliminate duplicates Z: 18 19.357 1.813 0.709 0.924 0.941 0.765 CB 1.131 18 residues pruned to eliminate duplicates Z: 15 7.792 1.574 0.364 0.608 0.786 0.643 CB 1.114 15 residues pruned to eliminate duplicates Z: 11 5.010 1.443 0.581 0.842 0.700 0.500 CB 0.740 11 residues pruned to eliminate duplicates Z: 13 13.112 1.703 0.349 0.880 1.000 0.750 CA 1.194 13 residues pruned to eliminate duplicates Z: 10 10.263 1.671 0.695 0.837 1.000 0.778 CB 0.903 10 residues pruned to eliminate duplicates Z: 21 8.533 1.756 0.299 0.354 0.850 0.500 CB 1.152 21 residues pruned to eliminate duplicates Z: 12 11.190 1.745 0.680 0.684 0.909 0.636 CA 1.069 12 residues pruned to eliminate duplicates Z: 19 19.542 1.624 0.739 0.924 1.000 0.722 CB 1.145 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 10.032 1.883 0.184 0.668 0.917 0.583 CB 1.213 13 residues pruned to eliminate duplicates Z: 13 7.963 1.690 0.441 0.623 0.833 0.250 CB 1.008 13 residues pruned to eliminate duplicates Z: 14 15.628 1.827 0.667 0.696 1.000 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 12 13.781 1.780 0.536 0.790 1.000 0.545 CB 1.178 12 residues pruned to eliminate duplicates Z: 15 11.194 1.754 0.540 0.651 0.857 0.571 CB 1.122 15 residues pruned to eliminate duplicates Z: 15 13.621 1.730 0.522 0.651 1.000 0.643 CB 1.201 15 residues pruned to eliminate duplicates Z: 14 15.313 1.854 0.555 0.673 1.000 0.692 CB 1.255 14 residues pruned to eliminate duplicates Z: 13 14.952 1.892 0.680 0.648 1.000 0.667 CB 1.183 13 residues pruned to eliminate duplicates Z: 15 12.720 1.769 0.392 0.656 1.000 0.714 CB 1.194 15 residues pruned to eliminate duplicates Z: 14 14.292 1.835 0.458 0.686 1.000 0.846 CB 1.249 14 residues pruned to eliminate duplicates Z: 12 16.240 1.975 0.601 0.711 1.000 0.727 CB 1.279 12 residues pruned to eliminate duplicates Z: 10 7.338 1.630 0.266 0.599 0.889 0.778 CB 1.213 11 residues pruned to eliminate duplicates Z: 9 9.707 1.750 0.114 0.899 1.000 0.875 CB 1.259 9 residues pruned to eliminate duplicates Z: 21 14.667 1.701 0.624 0.735 0.950 0.700 CB 1.012 21 residues pruned to eliminate duplicates Z: 8 8.123 1.507 0.862 0.841 1.000 0.571 CB 0.816 8 residues pruned to eliminate duplicates Z: 10 11.615 1.673 0.788 0.869 0.889 0.444 CB 1.064 10 residues pruned to eliminate duplicates Z: 10 11.043 1.647 0.671 0.919 1.000 0.667 CB 0.943 10 residues pruned to eliminate duplicates Z: 10 11.095 1.674 0.392 0.871 1.000 0.667 CB 1.158 10 residues pruned to eliminate duplicates Z: 64 48.495 1.998 0.633 0.827 1.000 0.857 CB 1.411 64 residues pruned to eliminate duplicates Z: 17 12.743 1.750 0.429 0.804 1.000 0.562 CB 0.977 17 residues pruned to eliminate duplicates Z: 41 31.002 1.863 0.565 0.785 0.975 0.650 CB 1.341 41 residues pruned to eliminate duplicates Z: 57 42.375 2.003 0.631 0.819 0.982 0.804 CB 1.338 57 residues pruned to eliminate duplicates Z: 64 44.652 1.971 0.658 0.820 0.984 0.730 CB 1.325 64 residues pruned to eliminate duplicates Z: 57 47.733 2.017 0.718 0.835 1.000 0.821 CB 1.378 57 residues pruned to eliminate duplicates Z: 55 45.641 2.024 0.681 0.823 0.981 0.759 CB 1.406 55 residues pruned to eliminate duplicates Z: 56 48.524 2.022 0.764 0.840 1.000 0.800 CB 1.370 56 residues pruned to eliminate duplicates Z: 64 47.154 1.983 0.682 0.825 0.984 0.825 CB 1.366 64 residues pruned to eliminate duplicates Z: 55 46.666 2.037 0.682 0.833 1.000 0.759 CB 1.390 55 residues pruned to eliminate duplicates Z: 63 51.219 2.017 0.715 0.847 1.000 0.742 CB 1.396 63 residues pruned to eliminate duplicates Z: 23 25.451 1.942 0.623 0.870 0.955 0.773 CA 1.317 23 residues pruned to eliminate duplicates Z: 46 44.378 2.077 0.816 0.832 0.933 0.733 CA 1.411 46 residues pruned to eliminate duplicates Z: 47 45.504 2.076 0.684 0.819 0.978 0.717 CA 1.487 47 residues pruned to eliminate duplicates Z: 63 46.015 1.967 0.707 0.809 0.984 0.661 CB 1.351 63 residues pruned to eliminate duplicates Z: 56 45.872 2.034 0.735 0.840 0.964 0.727 CB 1.358 56 residues pruned to eliminate duplicates Z: 40 31.155 2.080 0.634 0.695 0.872 0.667 CA 1.409 40 residues pruned to eliminate duplicates Z: 56 45.916 2.018 0.711 0.813 0.982 0.709 CB 1.391 56 residues pruned to eliminate duplicates Z: 45 45.994 2.111 0.740 0.840 0.955 0.750 CA 1.476 45 residues pruned to eliminate duplicates Z: 39 45.534 2.145 0.786 0.863 0.947 0.763 CA 1.493 39 residues pruned to eliminate duplicates Z: 52 47.162 2.061 0.672 0.843 0.941 0.725 CB 1.515 52 residues pruned to eliminate duplicates Z: 62 47.016 1.989 0.731 0.793 0.967 0.672 CB 1.398 62 residues pruned to eliminate duplicates Z: 62 43.489 1.982 0.752 0.765 0.918 0.639 CB 1.381 62 residues pruned to eliminate duplicates Z: 55 43.094 2.019 0.738 0.794 0.944 0.556 CB 1.367 55 residues pruned to eliminate duplicates Z: 43 45.512 2.116 0.710 0.834 0.976 0.738 CA 1.490 43 residues pruned to eliminate duplicates Z: 43 44.421 2.100 0.723 0.804 0.952 0.762 CA 1.526 43 residues pruned to eliminate duplicates Z: 39 52.106 2.161 0.885 0.860 1.000 0.500 CB 1.526 39 residues pruned to eliminate duplicates Z: 45 44.577 2.058 0.810 0.765 0.977 0.591 CB 1.459 45 residues pruned to eliminate duplicates Z: 46 50.621 2.086 0.835 0.850 0.978 0.733 CB 1.494 46 residues pruned to eliminate duplicates Z: 8 3.424 1.558 0.440 0.519 0.714 0.429 CA 0.793 8 residues pruned to eliminate duplicates Z: 37 42.805 2.125 0.903 0.805 0.917 0.528 CB 1.475 37 residues pruned to eliminate duplicates Z: 42 47.522 2.130 0.791 0.825 0.976 0.659 CB 1.506 42 residues pruned to eliminate duplicates Z: 35 48.237 2.177 0.991 0.851 0.971 0.765 CB 1.455 35 residues pruned to eliminate duplicates Z: 41 38.261 2.072 0.765 0.709 0.925 0.425 CB 1.479 41 residues pruned to eliminate duplicates Z: 45 49.090 2.087 0.842 0.775 0.977 0.659 CB 1.545 45 residues pruned to eliminate duplicates Z: 44 48.219 2.110 0.804 0.790 0.977 0.651 CB 1.534 44 residues pruned to eliminate duplicates Z: 41 47.591 2.110 0.806 0.799 0.975 0.650 CB 1.559 41 residues pruned to eliminate duplicates Z: 44 49.875 2.086 0.909 0.831 1.000 0.581 CB 1.435 44 residues pruned to eliminate duplicates Z: 43 49.417 2.109 0.870 0.799 1.000 0.643 CB 1.489 43 residues pruned to eliminate duplicates Z: 47 48.362 2.098 0.815 0.825 0.957 0.674 CB 1.478 47 residues pruned to eliminate duplicates Z: 48 49.729 2.043 0.918 0.879 0.979 0.489 CB 1.372 48 residues pruned to eliminate duplicates Z: 25 41.374 2.069 0.875 0.951 1.000 0.750 CB 1.500 25 residues pruned to eliminate duplicates Z: 41 43.420 2.109 0.922 0.791 0.900 0.425 CB 1.457 41 residues pruned to eliminate duplicates Z: 50 49.766 2.044 0.819 0.844 0.980 0.490 CB 1.451 50 residues pruned to eliminate duplicates Z: 57 51.184 2.024 0.961 0.842 0.982 0.429 CB 1.308 57 residues pruned to eliminate duplicates Z: 46 49.934 2.054 0.903 0.847 0.978 0.422 CB 1.445 46 residues pruned to eliminate duplicates Z: 50 53.589 2.041 1.031 0.876 0.980 0.469 CB 1.370 50 residues pruned to eliminate duplicates Z: 47 47.042 2.037 0.939 0.774 0.978 0.348 CB 1.409 47 residues pruned to eliminate duplicates Z: 52 47.861 2.012 0.911 0.852 0.961 0.333 CB 1.342 52 residues pruned to eliminate duplicates Z: 46 46.803 2.056 0.895 0.838 1.000 0.533 CB 1.339 46 residues pruned to eliminate duplicates Z: 62 44.064 1.937 0.976 0.754 0.934 0.410 CB 1.258 62 residues pruned to eliminate duplicates Z: 43 50.662 2.107 0.984 0.805 0.976 0.286 CB 1.468 43 residues pruned to eliminate duplicates Z: 46 49.461 2.053 0.920 0.842 1.000 0.489 CB 1.394 46 residues pruned to eliminate duplicates Z: 14 18.362 1.805 0.835 0.937 0.923 0.462 CB 1.160 14 residues pruned to eliminate duplicates Z: 65 44.772 1.944 0.830 0.805 0.953 0.375 CB 1.264 65 residues pruned to eliminate duplicates Z: 65 45.479 1.944 0.771 0.827 0.953 0.438 CB 1.305 65 residues pruned to eliminate duplicates Z: 44 39.251 2.058 0.825 0.775 0.907 0.372 CB 1.377 44 residues pruned to eliminate duplicates Z: 47 30.292 2.023 0.293 0.701 0.935 0.783 CB 1.520 47 residues pruned to eliminate duplicates Z: 45 34.337 2.043 0.439 0.725 0.977 0.750 CA 1.471 45 residues pruned to eliminate duplicates Z: 45 31.469 2.040 0.386 0.715 0.955 0.773 CA 1.447 45 residues pruned to eliminate duplicates Z: 34 25.065 2.070 0.384 0.572 0.939 0.636 CB 1.512 34 residues pruned to eliminate duplicates Z: 52 35.499 2.036 0.571 0.673 0.902 0.569 CB 1.469 52 residues pruned to eliminate duplicates Z: 53 38.592 2.042 0.640 0.681 0.923 0.558 CB 1.466 53 residues pruned to eliminate duplicates Z: 40 28.008 2.025 0.513 0.584 0.897 0.615 CB 1.505 40 residues pruned to eliminate duplicates Z: 78 52.654 2.081 0.580 0.757 0.948 0.701 CA 1.532 78 residues pruned to eliminate duplicates Z: 36 32.502 2.114 0.511 0.651 0.971 0.686 CB 1.538 36 residues pruned to eliminate duplicates Z: 31 29.503 2.151 0.473 0.622 0.967 0.667 CB 1.567 31 residues pruned to eliminate duplicates Z: 43 37.662 2.095 0.493 0.742 0.976 0.762 CA 1.533 43 residues pruned to eliminate duplicates Z: 47 37.015 2.108 0.602 0.646 0.935 0.435 CB 1.510 47 residues pruned to eliminate duplicates Z: 59 44.486 2.078 0.587 0.745 0.966 0.776 CB 1.474 59 residues pruned to eliminate duplicates Z: 37 33.875 2.085 0.661 0.639 0.944 0.639 CB 1.515 37 residues pruned to eliminate duplicates Z: 39 38.634 2.126 0.503 0.744 1.000 0.789 CB 1.576 39 residues pruned to eliminate duplicates Z: 36 33.796 2.098 0.599 0.661 0.971 0.600 CB 1.511 36 residues pruned to eliminate duplicates Z: 33 36.801 2.144 0.580 0.691 1.000 0.750 CB 1.612 33 residues pruned to eliminate duplicates Z: 48 37.912 1.992 0.660 0.703 0.979 0.553 CB 1.420 48 residues pruned to eliminate duplicates Z: 96 59.664 2.058 0.644 0.762 0.937 0.674 CA 1.531 96 residues pruned to eliminate duplicates Z: 45 33.331 2.057 0.407 0.713 0.977 0.727 CB 1.464 45 residues pruned to eliminate duplicates Z: 34 38.294 2.156 0.706 0.694 0.970 0.545 CB 1.565 34 residues pruned to eliminate duplicates Z: 48 35.291 2.030 0.555 0.679 0.936 0.702 CB 1.477 48 residues pruned to eliminate duplicates Z: 116 61.146 2.044 0.579 0.695 0.957 0.583 CB 1.547 116 residues pruned to eliminate duplicates Z: 42 38.941 2.087 0.579 0.761 0.976 0.707 CB 1.499 42 residues pruned to eliminate duplicates Z: 43 40.163 2.089 0.623 0.751 1.000 0.690 CB 1.462 43 residues pruned to eliminate duplicates Z: 44 39.644 2.064 0.656 0.733 0.977 0.628 CB 1.469 44 residues pruned to eliminate duplicates Z: 34 31.880 2.087 0.601 0.654 1.000 0.455 CB 1.439 34 residues pruned to eliminate duplicates Z: 47 36.874 2.024 0.636 0.713 0.935 0.543 CB 1.448 47 residues pruned to eliminate duplicates Z: 48 32.460 2.015 0.602 0.678 0.894 0.553 CB 1.393 48 residues pruned to eliminate duplicates Z: 62 42.180 2.037 0.681 0.701 0.918 0.557 CB 1.430 62 residues pruned to eliminate duplicates Z: 43 35.881 2.073 0.603 0.749 0.952 0.595 CB 1.401 43 residues pruned to eliminate duplicates Z: 46 37.269 2.016 0.747 0.708 0.956 0.600 CB 1.366 46 residues pruned to eliminate duplicates Z: 46 38.890 2.062 0.647 0.718 0.956 0.600 CB 1.466 46 residues pruned to eliminate duplicates Z: 44 38.952 2.065 0.749 0.718 0.953 0.535 CB 1.417 44 residues pruned to eliminate duplicates Z: 59 48.332 2.076 0.790 0.764 0.966 0.569 CB 1.399 59 residues pruned to eliminate duplicates Z: 46 36.307 2.036 0.721 0.699 0.956 0.422 CB 1.348 46 residues pruned to eliminate duplicates Z: 50 35.939 1.960 0.772 0.668 0.939 0.469 CB 1.347 50 residues pruned to eliminate duplicates Z: 70 41.944 2.010 0.564 0.689 0.928 0.681 CA 1.457 70 residues pruned to eliminate duplicates Z: 63 46.035 2.019 0.758 0.658 0.935 0.500 CA 1.521 63 residues pruned to eliminate duplicates Z: 45 41.630 2.046 0.672 0.796 0.955 0.841 CA 1.483 45 residues pruned to eliminate duplicates Z: 93 50.693 2.031 0.595 0.686 0.924 0.630 CB 1.490 93 residues pruned to eliminate duplicates Z: 28 34.851 2.028 0.893 0.738 0.926 0.593 CB 1.524 28 residues pruned to eliminate duplicates Z: 98 64.866 2.090 0.716 0.747 0.969 0.619 CB 1.519 98 residues pruned to eliminate duplicates Z: 63 54.095 2.059 0.808 0.725 0.984 0.532 CB 1.532 63 residues pruned to eliminate duplicates Z: 99 65.736 2.100 0.702 0.741 0.969 0.643 CB 1.544 99 residues pruned to eliminate duplicates Z: 100 58.077 2.075 0.589 0.731 0.939 0.657 CB 1.530 100 residues pruned to eliminate duplicates Z: 80 58.580 2.068 0.685 0.776 0.962 0.557 CB 1.541 80 residues pruned to eliminate duplicates Z: 63 39.467 1.996 0.593 0.667 0.935 0.661 CB 1.444 63 residues pruned to eliminate duplicates Z: 98 57.522 2.076 0.618 0.707 0.948 0.619 CB 1.518 98 residues pruned to eliminate duplicates Z: 66 46.907 2.063 0.578 0.732 0.938 0.677 CB 1.547 66 residues pruned to eliminate duplicates Z: 78 58.145 2.078 0.702 0.774 0.974 0.506 CB 1.509 78 residues pruned to eliminate duplicates Z: 81 56.842 2.076 0.648 0.760 0.975 0.575 CB 1.512 81 residues pruned to eliminate duplicates Z: 55 44.880 2.096 0.577 0.730 0.963 0.574 CA 1.560 55 residues pruned to eliminate duplicates Z: 114 57.244 2.044 0.615 0.701 0.938 0.513 CB 1.448 114 residues pruned to eliminate duplicates Z: 47 40.834 2.017 0.636 0.759 0.957 0.565 CA 1.516 47 residues pruned to eliminate duplicates Z: 70 43.460 2.002 0.631 0.705 0.899 0.449 CB 1.481 70 residues pruned to eliminate duplicates Z: 66 49.421 2.046 0.719 0.746 0.908 0.585 CB 1.541 66 residues pruned to eliminate duplicates Z: 57 45.842 2.085 0.614 0.700 0.964 0.589 CB 1.572 57 residues pruned to eliminate duplicates Z: 78 49.730 1.996 0.834 0.696 0.922 0.299 CB 1.404 78 residues pruned to eliminate duplicates Z: 55 44.859 2.084 0.598 0.735 0.944 0.537 CA 1.572 55 residues pruned to eliminate duplicates Z: 46 42.686 2.043 0.709 0.812 0.911 0.556 CB 1.525 46 residues pruned to eliminate duplicates Z: 65 39.449 1.955 0.655 0.704 0.891 0.578 CB 1.421 65 residues pruned to eliminate duplicates Z: 66 45.452 2.013 0.721 0.733 0.908 0.492 CB 1.454 66 residues pruned to eliminate duplicates Z: 19 35.532 2.169 0.936 0.916 0.889 0.556 CA 1.585 19 residues pruned to eliminate duplicates Z: 66 49.309 2.053 0.758 0.726 0.938 0.415 CB 1.472 66 residues pruned to eliminate duplicates Z: 79 56.003 2.047 0.834 0.713 0.936 0.487 CB 1.488 79 residues pruned to eliminate duplicates Z: 65 51.357 2.071 0.756 0.739 0.953 0.531 CB 1.494 65 residues pruned to eliminate duplicates Z: 64 42.791 2.012 0.742 0.658 0.905 0.381 CB 1.468 64 residues pruned to eliminate duplicates Z: 28 43.853 2.104 0.964 0.854 0.926 0.407 CB 1.629 28 residues pruned to eliminate duplicates Z: 68 48.713 2.032 0.746 0.730 0.955 0.448 CB 1.427 68 residues pruned to eliminate duplicates Z: 47 52.917 2.041 0.961 0.773 0.957 0.435 CA 1.601 47 residues pruned to eliminate duplicates Z: 44 52.952 2.077 0.980 0.822 0.953 0.442 CA 1.558 44 residues pruned to eliminate duplicates Z: 77 62.900 2.093 0.855 0.756 0.961 0.474 CB 1.540 77 residues pruned to eliminate duplicates Z: 55 48.189 2.097 0.701 0.725 0.963 0.444 CB 1.559 55 residues pruned to eliminate duplicates Z: 64 46.388 2.016 0.720 0.723 0.921 0.508 CB 1.496 64 residues pruned to eliminate duplicates Z: 91 59.152 2.062 0.712 0.763 0.944 0.611 CB 1.480 91 residues pruned to eliminate duplicates Z: 58 44.060 2.054 0.654 0.705 0.947 0.509 CB 1.506 58 residues pruned to eliminate duplicates Z: 75 50.853 2.039 0.727 0.761 0.932 0.527 CB 1.428 75 residues pruned to eliminate duplicates Z: 101 63.476 2.070 0.692 0.734 0.980 0.490 CB 1.499 101 residues pruned to eliminate duplicates Z: 24 16.651 1.970 0.297 0.581 0.957 0.478 CB 1.314 24 residues pruned to eliminate duplicates Z: 25 17.337 1.984 0.296 0.567 0.917 0.625 CB 1.406 25 residues pruned to eliminate duplicates Z: 66 50.269 2.034 0.867 0.735 0.892 0.462 CB 1.490 66 residues pruned to eliminate duplicates Z: 117 67.746 2.053 0.824 0.736 0.948 0.500 CB 1.432 117 residues pruned to eliminate duplicates Z: 14 15.203 1.979 0.641 0.703 1.000 0.769 CA 1.079 14 residues pruned to eliminate duplicates Z: 96 52.815 2.043 0.723 0.689 0.916 0.495 CB 1.414 96 residues pruned to eliminate duplicates Z: 55 46.615 2.095 0.724 0.754 0.944 0.500 CB 1.483 55 residues pruned to eliminate duplicates Z: 68 44.716 2.005 0.770 0.701 0.925 0.418 CB 1.385 68 residues pruned to eliminate duplicates Z: 98 54.504 2.056 0.663 0.699 0.938 0.474 CB 1.440 98 residues pruned to eliminate duplicates Z: 24 18.085 1.996 0.326 0.596 1.000 0.696 CB 1.300 24 residues pruned to eliminate duplicates Z: 114 65.282 2.043 0.825 0.732 0.938 0.460 CB 1.425 114 residues pruned to eliminate duplicates Z: 25 19.353 2.001 0.390 0.578 0.917 0.625 CB 1.437 25 residues pruned to eliminate duplicates Z: 24 17.339 1.974 0.406 0.604 0.870 0.739 CB 1.357 24 residues pruned to eliminate duplicates Z: 68 48.545 2.031 0.715 0.738 0.955 0.493 CB 1.440 68 residues pruned to eliminate duplicates Z: 67 51.031 2.057 0.763 0.731 0.939 0.576 CB 1.498 67 residues pruned to eliminate duplicates Z: 20 14.440 1.956 0.379 0.421 0.947 0.421 CB 1.407 20 residues pruned to eliminate duplicates Z: 54 45.926 2.099 0.618 0.760 0.962 0.566 CB 1.533 54 residues pruned to eliminate duplicates Z: 67 50.580 2.020 0.753 0.736 0.955 0.439 CB 1.490 67 residues pruned to eliminate duplicates Z: 138 70.624 2.068 0.664 0.765 0.964 0.635 CB 1.438 136 residues pruned to eliminate duplicates Z: 26 24.410 2.013 0.371 0.849 0.960 0.840 CB 1.366 26 residues pruned to eliminate duplicates Z: 39 24.168 1.974 0.543 0.574 0.868 0.579 CB 1.380 39 residues pruned to eliminate duplicates Z: 27 27.168 2.062 0.563 0.848 0.885 0.808 CB 1.386 27 residues pruned to eliminate duplicates Z: 54 40.215 2.054 0.456 0.837 0.962 0.811 CB 1.435 54 residues pruned to eliminate duplicates Z: 51 39.229 2.048 0.435 0.847 0.980 0.840 CB 1.431 51 residues pruned to eliminate duplicates Z: 10 14.227 2.204 0.357 0.703 0.889 0.444 CB 1.483 10 residues pruned to eliminate duplicates Z: 26 35.297 2.080 0.640 0.911 1.000 0.680 CB 1.466 26 residues pruned to eliminate duplicates Z: 25 30.113 2.116 0.490 0.937 0.958 0.875 CB 1.415 25 residues pruned to eliminate duplicates Z: 25 25.913 2.057 0.333 0.902 1.000 0.875 CA 1.375 25 residues pruned to eliminate duplicates Z: 25 29.974 2.108 0.496 0.906 0.958 0.792 CB 1.440 26 residues pruned to eliminate duplicates Z: 28 32.258 2.006 0.589 0.940 1.000 0.815 CB 1.352 28 residues pruned to eliminate duplicates Z: 81 54.795 2.085 0.661 0.817 0.950 0.775 CB 1.414 81 residues pruned to eliminate duplicates Z: 23 25.965 2.082 0.716 0.816 0.818 0.682 CB 1.438 23 residues pruned to eliminate duplicates Z: 24 35.867 2.137 0.747 0.906 1.000 0.652 CB 1.425 24 residues pruned to eliminate duplicates Z: 75 46.668 2.053 0.653 0.758 0.932 0.649 CB 1.363 75 residues pruned to eliminate duplicates Z: 81 43.665 1.980 0.615 0.732 0.938 0.588 CB 1.321 81 residues pruned to eliminate duplicates Z: 25 40.242 2.127 0.948 0.946 0.958 0.625 CB 1.431 25 residues pruned to eliminate duplicates Z: 27 34.042 2.024 0.913 0.885 0.923 0.423 CB 1.348 27 residues pruned to eliminate duplicates Z: 26 35.713 2.090 0.777 0.873 0.960 0.560 CB 1.459 26 residues pruned to eliminate duplicates Z: 54 44.030 2.023 0.704 0.826 0.962 0.623 CB 1.375 54 residues pruned to eliminate duplicates Z: 23 39.978 2.169 0.908 0.903 1.000 0.455 CB 1.469 23 residues pruned to eliminate duplicates Z: 27 35.970 2.049 0.821 0.866 0.962 0.577 CB 1.439 26 residues pruned to eliminate duplicates Z: 27 36.617 2.085 0.761 0.920 0.962 0.538 CB 1.432 27 residues pruned to eliminate duplicates Z: 26 39.199 2.086 0.909 0.939 0.960 0.480 CB 1.425 26 residues pruned to eliminate duplicates Z: 29 36.087 2.067 0.784 0.854 0.964 0.607 CB 1.416 29 residues pruned to eliminate duplicates Z: 55 40.955 2.005 0.687 0.841 0.926 0.556 CB 1.327 55 residues pruned to eliminate duplicates Z: 78 52.592 2.075 0.657 0.844 0.948 0.701 CB 1.368 78 residues pruned to eliminate duplicates Z: 56 47.421 2.013 0.688 0.860 0.982 0.782 CB 1.409 56 residues pruned to eliminate duplicates Z: 55 43.584 2.022 0.619 0.832 0.963 0.630 CB 1.413 55 residues pruned to eliminate duplicates Z: 30 28.612 1.948 0.616 0.876 0.931 0.793 CB 1.318 30 residues pruned to eliminate duplicates Z: 56 45.957 2.073 0.617 0.839 0.982 0.855 CB 1.406 56 residues pruned to eliminate duplicates Z: 53 41.519 2.059 0.535 0.863 0.981 0.692 CB 1.363 53 residues pruned to eliminate duplicates Z: 32 27.473 1.981 0.470 0.777 0.968 0.774 CB 1.372 32 residues pruned to eliminate duplicates Z: 58 47.924 2.055 0.665 0.856 1.000 0.860 CB 1.368 58 residues pruned to eliminate duplicates Z: 31 28.542 2.014 0.515 0.779 0.967 0.700 CB 1.381 31 residues pruned to eliminate duplicates Z: 81 59.340 2.073 0.648 0.869 1.000 0.750 CB 1.419 81 residues pruned to eliminate duplicates Z: 59 48.449 2.034 0.752 0.832 0.983 0.741 CB 1.364 59 residues pruned to eliminate duplicates Z: 33 30.522 1.946 0.655 0.799 0.969 0.656 CB 1.331 33 residues pruned to eliminate duplicates Z: 51 41.298 2.055 0.736 0.839 0.900 0.540 CB 1.358 51 residues pruned to eliminate duplicates Z: 57 46.567 1.996 0.695 0.859 0.946 0.571 CB 1.430 57 residues pruned to eliminate duplicates Z: 30 28.857 1.998 0.540 0.908 0.931 0.862 CB 1.330 30 residues pruned to eliminate duplicates Z: 45 34.937 2.059 0.412 0.829 0.977 0.750 CB 1.394 45 residues pruned to eliminate duplicates Z: 53 47.803 2.054 0.713 0.875 1.000 0.577 CB 1.371 53 residues pruned to eliminate duplicates Z: 80 59.525 2.074 0.700 0.875 0.987 0.696 CB 1.399 80 residues pruned to eliminate duplicates Z: 52 43.463 2.050 0.717 0.847 0.980 0.627 CB 1.309 52 residues pruned to eliminate duplicates Z: 54 43.806 2.061 0.751 0.790 0.962 0.698 CB 1.343 54 residues pruned to eliminate duplicates Z: 105 61.996 2.044 0.660 0.780 0.962 0.538 CB 1.455 56 residues pruned to eliminate duplicates Z: 30 29.869 1.969 0.523 0.895 0.966 0.759 CB 1.373 30 residues pruned to eliminate duplicates Z: 51 43.989 2.061 0.706 0.876 1.000 0.660 CB 1.287 51 residues pruned to eliminate duplicates Z: 81 57.427 2.057 0.766 0.834 0.975 0.650 CB 1.358 81 residues pruned to eliminate duplicates Z: 54 48.566 2.048 0.742 0.884 0.981 0.698 CB 1.377 54 residues pruned to eliminate duplicates Z: 80 59.113 2.068 0.806 0.850 0.962 0.620 CB 1.371 80 residues pruned to eliminate duplicates Z: 42 42.673 2.116 0.636 0.868 0.976 0.878 CB 1.443 42 residues pruned to eliminate duplicates Z: 110 65.044 2.030 0.785 0.786 0.972 0.679 CB 1.375 81 residues pruned to eliminate duplicates Z: 31 27.172 1.945 0.659 0.896 0.933 0.667 CB 1.180 31 residues pruned to eliminate duplicates Z: 57 43.396 2.063 0.588 0.848 0.982 0.732 CB 1.337 57 residues pruned to eliminate duplicates Z: 60 43.890 2.011 0.649 0.827 0.983 0.763 CB 1.321 60 residues pruned to eliminate duplicates Z: 45 40.545 2.058 0.636 0.836 0.977 0.795 CB 1.390 45 residues pruned to eliminate duplicates Z: 78 56.088 2.042 0.861 0.848 0.961 0.558 CB 1.298 78 residues pruned to eliminate duplicates Z: 57 45.471 2.058 0.796 0.828 0.929 0.607 CB 1.333 57 residues pruned to eliminate duplicates Z: 82 59.406 2.055 0.754 0.868 0.975 0.716 CB 1.373 82 residues pruned to eliminate duplicates Z: 57 48.828 2.070 0.708 0.862 0.982 0.839 CB 1.379 57 residues pruned to eliminate duplicates Z: 57 49.813 2.075 0.834 0.853 0.946 0.768 CB 1.366 57 residues pruned to eliminate duplicates Z: 81 58.156 2.066 0.799 0.850 0.963 0.675 CB 1.347 81 residues pruned to eliminate duplicates Z: 111 65.616 2.050 0.705 0.831 0.964 0.664 CB 1.396 111 residues pruned to eliminate duplicates Z: 83 59.691 2.035 0.845 0.846 0.988 0.622 CB 1.320 83 residues pruned to eliminate duplicates Z: 45 43.954 2.016 0.873 0.825 0.977 0.682 CB 1.355 45 residues pruned to eliminate duplicates Z: 83 60.502 2.061 0.779 0.862 0.976 0.695 CB 1.371 83 residues pruned to eliminate duplicates Z: 42 49.664 2.112 0.886 0.876 1.000 0.780 CB 1.416 42 residues pruned to eliminate duplicates Z: 79 63.039 2.096 0.922 0.837 0.962 0.590 CB 1.379 79 residues pruned to eliminate duplicates Z: 68 45.433 2.038 0.746 0.744 0.925 0.582 CB 1.356 68 residues pruned to eliminate duplicates Z: 25 42.455 2.163 1.072 0.834 1.000 0.833 CB 1.449 25 residues pruned to eliminate duplicates Z: 49 43.544 2.047 0.788 0.832 0.938 0.688 CB 1.375 49 residues pruned to eliminate duplicates Z: 114 69.431 2.052 0.809 0.813 0.965 0.681 CB 1.389 114 residues pruned to eliminate duplicates Z: 55 48.262 2.023 0.875 0.849 0.981 0.519 CB 1.308 55 residues pruned to eliminate duplicates Z: 45 45.997 2.042 0.849 0.841 0.977 0.682 CB 1.402 45 residues pruned to eliminate duplicates Z: 46 42.544 2.033 0.881 0.814 0.956 0.756 CB 1.320 46 residues pruned to eliminate duplicates Z: 80 61.404 2.081 0.774 0.873 0.975 0.671 CB 1.398 80 residues pruned to eliminate duplicates Z: 45 36.465 1.979 0.936 0.764 0.909 0.682 CB 1.248 45 residues pruned to eliminate duplicates Z: 6 2.388 1.474 0.432 0.693 0.800 0.800 CB 0.530 6 residues pruned to eliminate duplicates Z: 10 4.298 1.667 0.444 0.553 1.000 0.778 CB 0.565 10 residues pruned to eliminate duplicates Z: 7 4.355 1.631 0.176 0.604 1.000 0.500 CB 0.840 7 residues pruned to eliminate duplicates Z: 36 24.581 1.796 0.726 0.815 0.943 0.629 CB 1.081 34 residues pruned to eliminate duplicates Z: 19 25.625 1.858 0.793 0.932 1.000 0.500 CB 1.266 19 residues pruned to eliminate duplicates Z: 7 3.898 1.571 0.383 0.706 0.667 0.167 CB 0.911 7 residues pruned to eliminate duplicates Z: 26 21.871 1.812 0.647 0.843 1.000 0.600 CB 1.091 26 residues pruned to eliminate duplicates Z: 38 23.720 1.817 0.561 0.798 0.919 0.595 CB 1.153 38 residues pruned to eliminate duplicates Z: 21 17.497 1.912 0.590 0.675 0.900 0.700 CB 1.217 21 residues pruned to eliminate duplicates Z: 36 26.214 1.848 0.723 0.760 0.971 0.686 CB 1.137 36 residues pruned to eliminate duplicates Z: 35 25.460 1.861 0.782 0.765 0.912 0.647 CB 1.142 35 residues pruned to eliminate duplicates Z: 35 22.626 1.848 0.748 0.733 0.912 0.559 CB 1.069 35 residues pruned to eliminate duplicates Z: 39 24.916 1.817 0.718 0.727 0.921 0.632 CB 1.145 39 residues pruned to eliminate duplicates Z: 18 18.483 1.922 0.667 0.774 0.941 0.412 CB 1.166 18 residues pruned to eliminate duplicates Z: 35 26.977 1.877 0.804 0.763 0.941 0.735 CB 1.149 35 residues pruned to eliminate duplicates Z: 30 22.405 1.826 0.667 0.787 0.966 0.690 CB 1.100 30 residues pruned to eliminate duplicates Z: 20 19.785 1.892 0.885 0.749 0.895 0.632 CB 1.139 20 residues pruned to eliminate duplicates Z: 32 24.369 1.863 0.634 0.794 0.968 0.806 CB 1.148 32 residues pruned to eliminate duplicates Z: 36 27.696 1.826 0.814 0.807 0.943 0.743 CB 1.147 36 residues pruned to eliminate duplicates Z: 33 27.849 1.907 0.748 0.800 0.969 0.688 CB 1.172 33 residues pruned to eliminate duplicates Z: 28 21.462 1.808 0.721 0.763 0.926 0.704 CB 1.135 28 residues pruned to eliminate duplicates Z: 33 27.565 1.879 0.823 0.795 0.969 0.688 CB 1.134 33 residues pruned to eliminate duplicates Z: 35 26.728 1.872 0.841 0.766 0.912 0.529 CB 1.152 35 residues pruned to eliminate duplicates Z: 37 26.890 1.805 0.939 0.721 0.917 0.417 CB 1.145 37 residues pruned to eliminate duplicates Z: 33 30.216 1.887 1.005 0.800 0.969 0.500 CB 1.121 40 residues pruned to eliminate duplicates Z: 20 16.769 1.799 0.564 0.878 0.895 0.684 CB 1.109 20 residues pruned to eliminate duplicates Z: 16 16.609 1.824 1.010 0.832 0.867 0.733 CB 1.013 16 residues pruned to eliminate duplicates Z: 16 16.579 1.841 0.872 0.826 0.867 0.667 CB 1.081 16 residues pruned to eliminate duplicates Z: 20 19.992 1.816 0.743 0.844 0.947 0.632 CB 1.138 20 residues pruned to eliminate duplicates Z: 14 19.346 1.898 0.929 0.918 0.923 0.923 CB 1.120 14 residues pruned to eliminate duplicates Z: 15 16.375 1.834 1.103 0.840 0.857 0.786 CB 0.988 15 residues pruned to eliminate duplicates Z: 16 19.973 1.843 1.040 0.843 0.933 0.667 CB 1.094 16 residues pruned to eliminate duplicates Z: 20 18.808 1.798 0.870 0.873 0.895 0.737 CB 1.045 20 residues pruned to eliminate duplicates Z: 20 15.772 1.715 0.875 0.736 0.895 0.579 CB 1.017 20 residues pruned to eliminate duplicates Z: 16 18.845 1.851 0.979 0.856 0.867 0.733 CB 1.131 16 residues pruned to eliminate duplicates Z: 16 19.371 1.818 0.919 0.857 1.000 0.733 CB 1.056 16 residues pruned to eliminate duplicates Z: 13 16.296 1.784 1.075 0.852 1.000 0.667 CB 0.940 13 residues pruned to eliminate duplicates Z: 17 20.623 1.824 0.946 0.888 0.875 0.625 CB 1.196 17 residues pruned to eliminate duplicates Z: 20 20.511 1.834 0.744 0.898 0.947 0.737 CB 1.111 20 residues pruned to eliminate duplicates Z: 17 15.686 1.642 0.744 0.847 1.000 0.688 CB 1.017 16 residues pruned to eliminate duplicates Z: 21 20.356 1.786 0.755 0.891 0.950 0.800 CB 1.099 21 residues pruned to eliminate duplicates Z: 21 22.501 1.823 0.796 0.909 0.950 0.700 CB 1.148 21 residues pruned to eliminate duplicates Z: 20 22.311 1.835 0.842 0.909 0.947 0.526 CB 1.135 20 residues pruned to eliminate duplicates 322 residues left after pruning, divided into chains as follows: A: 25 B: 13 C: 66 D: 179 E: 39 CC for partial structure against native data = 42.93 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.357, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.404, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.477, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.479, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.485, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.489, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.494, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.497, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.500, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.502, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1697 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 380 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 26.189 2.046 0.418 0.925 0.960 0.880 CB 1.321 B: 16 21.926 2.056 0.465 0.917 1.000 0.800 CB 1.327 16 residues pruned to eliminate duplicates C: 25 33.649 2.056 0.571 0.958 1.000 0.958 CA 1.459 D: 23 26.725 1.934 0.529 0.928 1.000 0.773 CA 1.350 E: 25 35.548 2.018 0.637 0.927 1.000 0.792 CA 1.539 25 residues pruned to eliminate duplicates F: 27 31.407 2.021 0.628 0.936 0.962 0.962 CB 1.356 26 residues pruned to eliminate duplicates G: 22 36.257 2.154 0.946 0.948 0.952 0.857 CB 1.369 H: 27 28.083 1.923 0.508 0.933 0.962 0.885 CA 1.379 I: 28 34.214 1.956 0.565 0.939 1.000 0.741 CB 1.494 25 residues pruned to eliminate duplicates J: 22 38.521 2.130 0.974 0.909 1.000 0.667 CB 1.419 22 residues pruned to eliminate duplicates K: 22 33.210 2.142 0.638 0.931 1.000 0.952 CA 1.444 22 residues pruned to eliminate duplicates L: 22 28.757 2.116 0.400 0.924 1.000 0.952 CB 1.488 22 residues pruned to eliminate duplicates M: 22 34.451 2.161 0.643 0.938 1.000 0.952 CA 1.472 22 residues pruned to eliminate duplicates N: 18 22.681 1.984 0.599 0.919 0.941 0.706 CB 1.298 O: 21 38.045 2.179 0.854 0.951 1.000 0.850 CB 1.452 22 residues pruned to eliminate duplicates P: 29 47.852 2.130 0.812 0.945 1.000 0.964 CA 1.621 22 residues pruned to eliminate duplicates Q: 17 21.307 1.956 0.473 0.919 1.000 0.688 CB 1.302 17 residues pruned to eliminate duplicates R: 23 34.076 2.114 0.833 0.925 0.955 0.773 CB 1.379 22 residues pruned to eliminate duplicates S: 29 31.059 2.000 0.797 0.918 0.929 0.679 CB 1.240 18 residues pruned to eliminate duplicates T: 26 33.461 1.979 0.718 0.901 0.960 0.680 CA 1.463 26 residues pruned to eliminate duplicates U: 26 28.157 2.002 0.396 0.929 1.000 0.920 CA 1.410 26 residues pruned to eliminate duplicates V: 14 19.658 2.038 0.387 0.873 1.000 0.615 CA 1.405 14 residues pruned to eliminate duplicates W: 16 11.995 1.934 0.492 0.373 0.933 0.533 CB 1.318 X: 28 33.132 2.091 0.505 0.901 0.963 0.778 CA 1.503 28 residues pruned to eliminate duplicates Y: 28 25.673 1.858 0.857 0.932 0.926 0.519 CB 1.080 Z: 24 41.952 2.138 0.796 0.932 1.000 0.609 CA 1.591 24 residues pruned to eliminate duplicates Z: 18 20.132 2.013 0.335 0.930 0.941 0.765 CB 1.349 18 residues pruned to eliminate duplicates Z: 27 34.167 2.021 0.763 0.937 0.962 0.654 CB 1.361 27 residues pruned to eliminate duplicates Z: 22 22.146 1.829 0.441 0.889 1.000 0.667 CB 1.321 Z: 27 37.386 1.988 0.919 0.933 0.962 0.654 CB 1.394 27 residues pruned to eliminate duplicates Z: 28 45.542 2.110 0.728 0.959 1.000 0.519 CA 1.648 29 residues pruned to eliminate duplicates Z: 29 46.264 2.092 0.819 0.926 1.000 0.536 CA 1.611 29 residues pruned to eliminate duplicates Z: 38 28.009 1.961 0.550 0.620 0.946 0.622 CB 1.430 32 residues pruned to eliminate duplicates Z: 23 30.085 2.012 0.656 0.936 1.000 1.000 CB 1.340 23 residues pruned to eliminate duplicates Z: 23 26.796 2.010 0.667 0.841 0.955 0.545 CA 1.332 21 residues pruned to eliminate duplicates Z: 21 32.281 2.150 0.576 0.954 1.000 0.950 CB 1.465 21 residues pruned to eliminate duplicates Z: 14 10.156 1.810 0.219 0.934 1.000 0.923 CB 0.890 Z: 10 22.681 2.006 0.688 0.886 1.000 0.667 CB 1.610 10 residues pruned to eliminate duplicates Z: 27 24.280 1.946 0.403 0.838 0.962 0.731 CB 1.355 27 residues pruned to eliminate duplicates Z: 30 38.453 2.060 0.580 0.919 1.000 0.931 CA 1.546 30 residues pruned to eliminate duplicates Z: 15 20.040 1.892 0.685 0.855 0.929 0.786 CA 1.335 11 residues pruned to eliminate duplicates Z: 29 45.469 2.099 0.781 0.954 1.000 0.893 CA 1.581 28 residues pruned to eliminate duplicates Z: 23 27.680 2.032 0.519 0.928 1.000 0.909 CB 1.339 23 residues pruned to eliminate duplicates Z: 11 16.939 1.972 0.384 0.841 1.000 0.600 CB 1.464 11 residues pruned to eliminate duplicates Z: 18 32.540 2.129 0.934 0.904 0.882 0.647 CA 1.547 18 residues pruned to eliminate duplicates Z: 11 16.404 2.052 0.417 0.919 1.000 1.000 CA 1.258 11 residues pruned to eliminate duplicates Z: 11 14.417 1.875 0.356 0.880 0.900 0.800 CB 1.443 11 residues pruned to eliminate duplicates Z: 29 37.066 2.140 0.551 0.926 0.964 0.929 CA 1.534 29 residues pruned to eliminate duplicates Z: 18 30.604 2.101 0.778 0.899 1.000 0.882 CA 1.420 18 residues pruned to eliminate duplicates Z: 31 33.313 1.920 0.674 0.870 0.967 0.767 CA 1.429 26 residues pruned to eliminate duplicates Z: 6 5.796 2.082 -0.185 0.852 0.800 0.800 CA 1.411 6 residues pruned to eliminate duplicates Z: 16 20.578 1.941 0.662 0.878 1.000 0.667 CB 1.195 Z: 23 37.973 2.113 0.916 0.935 1.000 0.955 CB 1.394 23 residues pruned to eliminate duplicates Z: 24 35.122 2.139 0.552 0.934 0.957 0.522 CA 1.609 24 residues pruned to eliminate duplicates Z: 17 18.662 1.893 0.440 0.911 0.938 0.875 CA 1.294 17 residues pruned to eliminate duplicates Z: 28 50.925 2.135 1.117 0.936 0.926 0.519 CA 1.632 28 residues pruned to eliminate duplicates Z: 30 30.550 1.973 0.477 0.926 1.000 1.000 CA 1.366 30 residues pruned to eliminate duplicates Z: 9 8.726 1.777 0.005 0.904 1.000 1.000 CA 1.231 9 residues pruned to eliminate duplicates Z: 27 31.853 1.842 0.727 0.946 1.000 0.923 CB 1.358 26 residues pruned to eliminate duplicates Z: 18 38.053 2.170 0.819 0.955 1.000 0.882 CB 1.606 18 residues pruned to eliminate duplicates Z: 22 38.882 2.140 1.054 0.906 1.000 0.857 CB 1.373 22 residues pruned to eliminate duplicates Z: 22 26.013 2.091 0.420 0.910 1.000 0.905 CA 1.356 22 residues pruned to eliminate duplicates Z: 23 24.026 1.925 0.834 0.832 0.909 0.591 CB 1.198 21 residues pruned to eliminate duplicates Z: 15 14.594 1.779 0.537 0.715 0.857 0.571 CB 1.370 15 residues pruned to eliminate duplicates Z: 29 28.525 2.003 0.508 0.910 0.964 0.821 CB 1.313 29 residues pruned to eliminate duplicates Z: 24 36.705 2.035 0.965 0.944 1.000 0.826 CB 1.326 24 residues pruned to eliminate duplicates Z: 23 26.284 1.935 0.584 0.889 0.909 0.545 CA 1.448 23 residues pruned to eliminate duplicates Z: 22 37.868 2.133 0.825 0.921 1.000 0.810 CB 1.493 21 residues pruned to eliminate duplicates Z: 29 53.759 2.105 1.070 0.947 1.000 0.536 CB 1.612 29 residues pruned to eliminate duplicates Z: 23 38.627 2.106 1.025 0.912 0.955 0.500 CA 1.432 23 residues pruned to eliminate duplicates Z: 27 34.140 2.035 0.744 0.933 0.962 0.615 CB 1.369 27 residues pruned to eliminate duplicates Z: 20 15.705 1.956 0.321 0.657 0.947 0.474 CB 1.272 Z: 23 39.839 2.094 0.979 0.943 0.955 0.455 CB 1.488 23 residues pruned to eliminate duplicates Z: 15 14.227 1.861 0.675 0.904 0.857 0.786 CB 1.013 15 residues pruned to eliminate duplicates Z: 13 15.362 1.866 0.375 0.777 0.917 0.667 CB 1.476 13 residues pruned to eliminate duplicates Z: 22 32.618 1.860 1.032 0.942 1.000 0.476 CB 1.306 25 residues pruned to eliminate duplicates Z: 27 24.657 1.959 0.337 0.915 1.000 0.923 CA 1.306 27 residues pruned to eliminate duplicates Z: 30 25.959 1.972 0.567 0.882 0.931 0.724 CB 1.213 30 residues pruned to eliminate duplicates Z: 26 31.947 2.074 0.639 0.939 0.960 0.800 CB 1.361 26 residues pruned to eliminate duplicates Z: 26 28.215 1.895 0.486 0.908 1.000 0.920 CA 1.424 27 residues pruned to eliminate duplicates Z: 16 17.329 1.936 0.364 0.895 0.867 0.867 CA 1.401 16 residues pruned to eliminate duplicates Z: 28 19.685 1.927 0.224 0.859 0.926 0.704 CB 1.276 28 residues pruned to eliminate duplicates Z: 27 35.896 2.012 0.900 0.918 0.962 0.577 CB 1.350 27 residues pruned to eliminate duplicates Z: 23 38.632 2.075 1.027 0.935 1.000 0.773 CB 1.365 23 residues pruned to eliminate duplicates Z: 31 33.957 1.936 0.617 0.864 1.000 0.667 CA 1.451 31 residues pruned to eliminate duplicates Z: 24 33.570 2.033 0.662 0.955 1.000 0.957 CA 1.424 24 residues pruned to eliminate duplicates Z: 16 13.369 1.822 0.376 0.880 0.933 0.867 CB 1.069 16 residues pruned to eliminate duplicates Z: 27 25.945 1.992 0.607 0.914 0.885 0.692 CB 1.270 27 residues pruned to eliminate duplicates Z: 28 46.337 2.122 1.007 0.929 0.889 0.296 CA 1.648 28 residues pruned to eliminate duplicates Z: 28 34.038 2.057 0.510 0.930 1.000 0.889 CA 1.475 28 residues pruned to eliminate duplicates Z: 27 23.951 1.916 0.240 0.904 1.000 0.885 CA 1.407 27 residues pruned to eliminate duplicates Z: 15 15.926 1.811 0.597 0.718 0.857 0.500 CB 1.410 16 residues pruned to eliminate duplicates Z: 26 26.859 1.846 0.537 0.888 0.960 0.640 CA 1.421 26 residues pruned to eliminate duplicates Z: 29 40.999 2.129 0.554 0.946 1.000 0.750 CA 1.620 29 residues pruned to eliminate duplicates Z: 17 9.674 1.868 0.358 0.435 0.812 0.625 CB 1.255 17 residues pruned to eliminate duplicates Z: 11 10.321 1.771 0.354 0.748 0.900 0.600 CB 1.212 Z: 23 40.297 2.086 1.110 0.901 1.000 0.636 CB 1.393 23 residues pruned to eliminate duplicates Z: 26 24.325 1.924 0.798 0.932 0.800 0.240 CB 1.228 27 residues pruned to eliminate duplicates Z: 12 13.054 1.806 0.466 0.877 1.000 0.273 CA 1.080 15 residues pruned to eliminate duplicates Z: 41 35.128 1.914 0.604 0.834 0.975 0.650 CA 1.391 54 residues pruned to eliminate duplicates Z: 25 31.739 2.052 0.525 0.956 1.000 0.917 CB 1.422 25 residues pruned to eliminate duplicates Z: 19 35.473 2.079 0.994 0.939 0.944 0.778 CA 1.485 19 residues pruned to eliminate duplicates Z: 13 19.106 1.847 0.612 0.911 0.917 0.333 CA 1.432 13 residues pruned to eliminate duplicates Z: 30 25.932 1.999 0.379 0.922 1.000 0.862 CB 1.229 30 residues pruned to eliminate duplicates Z: 11 13.992 1.910 0.461 0.814 1.000 0.800 CB 1.207 11 residues pruned to eliminate duplicates Z: 30 42.716 2.093 0.716 0.940 0.966 0.724 CA 1.589 30 residues pruned to eliminate duplicates Z: 11 12.817 1.941 0.072 0.861 0.900 0.800 CB 1.590 11 residues pruned to eliminate duplicates Z: 29 44.626 2.101 0.784 0.906 1.000 0.643 CA 1.600 29 residues pruned to eliminate duplicates Z: 27 27.906 2.010 0.324 0.928 1.000 0.846 CA 1.439 27 residues pruned to eliminate duplicates Z: 19 27.211 2.069 0.779 0.805 0.944 0.667 CA 1.414 16 residues pruned to eliminate duplicates Z: 11 12.119 1.862 0.401 0.855 1.000 0.700 CA 1.085 11 residues pruned to eliminate duplicates Z: 27 31.375 2.033 0.444 0.917 1.000 0.885 CB 1.480 27 residues pruned to eliminate duplicates Z: 18 18.251 1.962 0.321 0.888 0.941 0.765 CB 1.308 18 residues pruned to eliminate duplicates Z: 22 39.868 2.145 1.009 0.928 1.000 0.905 CB 1.413 23 residues pruned to eliminate duplicates Z: 13 13.824 1.891 0.251 0.804 0.917 0.667 CB 1.411 13 residues pruned to eliminate duplicates Z: 21 16.769 1.893 0.194 0.902 0.950 0.950 CB 1.246 21 residues pruned to eliminate duplicates Z: 17 19.181 1.864 0.679 0.873 1.000 0.312 CB 1.117 16 residues pruned to eliminate duplicates Z: 27 32.028 2.002 0.788 0.941 0.962 0.538 CB 1.267 27 residues pruned to eliminate duplicates Z: 22 36.600 2.107 0.975 0.909 1.000 0.667 CB 1.362 22 residues pruned to eliminate duplicates Z: 19 17.747 1.903 0.443 0.872 0.833 0.667 CA 1.332 19 residues pruned to eliminate duplicates Z: 12 12.219 1.800 0.491 0.781 1.000 0.727 CB 1.071 12 residues pruned to eliminate duplicates Z: 19 26.254 1.971 0.867 0.919 0.889 0.722 CB 1.333 17 residues pruned to eliminate duplicates Z: 25 25.970 1.855 0.483 0.922 1.000 0.875 CA 1.355 25 residues pruned to eliminate duplicates Z: 24 27.383 1.869 0.530 0.925 1.000 0.913 CA 1.401 24 residues pruned to eliminate duplicates Z: 23 40.076 2.069 1.099 0.896 1.000 0.773 CB 1.409 23 residues pruned to eliminate duplicates Z: 22 37.167 2.145 0.853 0.918 1.000 0.905 CB 1.439 22 residues pruned to eliminate duplicates Z: 29 24.591 1.977 0.446 0.904 0.929 0.786 CB 1.247 29 residues pruned to eliminate duplicates Z: 28 40.898 2.098 0.796 0.907 0.963 0.444 CA 1.542 28 residues pruned to eliminate duplicates Z: 15 13.377 1.639 0.382 0.865 0.929 0.857 CB 1.245 15 residues pruned to eliminate duplicates Z: 11 15.349 1.952 0.208 0.884 1.000 0.800 CA 1.486 10 residues pruned to eliminate duplicates Z: 31 24.076 1.868 0.633 0.834 0.933 0.567 CB 1.158 31 residues pruned to eliminate duplicates Z: 21 19.937 1.868 0.436 0.904 0.950 0.700 CA 1.246 21 residues pruned to eliminate duplicates Z: 28 31.031 1.975 0.720 0.928 0.926 0.481 CB 1.329 28 residues pruned to eliminate duplicates Z: 30 30.777 1.949 0.640 0.863 0.931 0.828 CA 1.409 30 residues pruned to eliminate duplicates Z: 29 28.897 1.985 0.764 0.907 0.929 0.571 CB 1.194 29 residues pruned to eliminate duplicates Z: 23 23.541 1.982 0.640 0.872 0.909 0.500 CA 1.237 23 residues pruned to eliminate duplicates Z: 26 26.857 1.859 0.819 0.917 0.880 0.640 CB 1.275 26 residues pruned to eliminate duplicates Z: 27 17.571 1.837 0.178 0.911 1.000 0.885 CA 1.129 27 residues pruned to eliminate duplicates Z: 18 24.249 2.019 0.635 0.918 0.941 0.588 CB 1.334 18 residues pruned to eliminate duplicates Z: 17 20.389 1.911 0.933 0.857 0.875 0.438 CB 1.162 17 residues pruned to eliminate duplicates Z: 30 36.723 1.945 0.819 0.859 0.966 0.655 CB 1.468 30 residues pruned to eliminate duplicates Z: 11 11.872 1.855 0.434 0.864 1.000 1.000 CA 1.035 11 residues pruned to eliminate duplicates Z: 27 31.200 2.021 0.644 0.937 1.000 0.654 CB 1.282 27 residues pruned to eliminate duplicates Z: 29 50.410 2.068 0.988 0.934 1.000 0.536 CB 1.616 29 residues pruned to eliminate duplicates Z: 25 23.113 1.930 0.679 0.889 0.917 0.500 CB 1.144 25 residues pruned to eliminate duplicates Z: 12 10.979 1.747 0.105 0.842 0.909 0.636 CB 1.406 12 residues pruned to eliminate duplicates Z: 29 28.264 1.995 0.487 0.872 0.964 0.750 CB 1.361 29 residues pruned to eliminate duplicates Z: 57 37.579 1.994 0.572 0.745 0.946 0.696 CB 1.359 61 residues pruned to eliminate duplicates Z: 19 21.358 1.940 0.531 0.910 0.944 0.667 CB 1.273 19 residues pruned to eliminate duplicates Z: 11 12.916 1.709 0.798 0.806 0.900 0.600 CB 1.131 11 residues pruned to eliminate duplicates Z: 29 29.735 1.877 0.790 0.931 1.000 0.643 CB 1.169 29 residues pruned to eliminate duplicates Z: 24 24.437 1.986 0.744 0.662 0.957 0.478 CA 1.324 26 residues pruned to eliminate duplicates Z: 17 16.887 1.855 0.448 0.884 0.938 0.812 CB 1.211 16 residues pruned to eliminate duplicates Z: 11 4.388 1.565 0.363 0.305 0.800 0.400 CB 1.010 11 residues pruned to eliminate duplicates Z: 18 19.799 1.995 0.346 0.916 0.941 0.647 CB 1.342 18 residues pruned to eliminate duplicates Z: 11 11.030 1.880 0.370 0.848 0.900 0.300 CA 1.116 11 residues pruned to eliminate duplicates Z: 19 15.913 1.900 0.407 0.904 0.944 0.889 CB 1.058 19 residues pruned to eliminate duplicates Z: 29 25.773 1.900 0.716 0.903 0.893 0.464 CB 1.193 29 residues pruned to eliminate duplicates Z: 30 27.494 1.977 0.582 0.909 0.931 0.690 CB 1.244 30 residues pruned to eliminate duplicates Z: 26 35.937 2.016 0.849 0.941 0.960 0.680 CB 1.393 26 residues pruned to eliminate duplicates Z: 33 34.156 2.054 0.543 0.725 1.000 0.688 CA 1.555 33 residues pruned to eliminate duplicates Z: 13 12.485 1.845 0.695 0.835 0.833 0.750 CB 1.036 13 residues pruned to eliminate duplicates Z: 27 25.351 1.909 0.455 0.941 1.000 0.731 CB 1.242 27 residues pruned to eliminate duplicates Z: 25 24.576 1.896 0.801 0.812 0.917 0.708 CB 1.221 25 residues pruned to eliminate duplicates Z: 20 33.569 2.095 0.900 0.885 0.895 0.421 CA 1.561 20 residues pruned to eliminate duplicates Z: 13 11.585 1.786 0.529 0.653 0.917 0.750 CB 1.159 13 residues pruned to eliminate duplicates Z: 25 31.819 2.001 0.700 0.938 1.000 0.500 CB 1.328 25 residues pruned to eliminate duplicates Z: 28 38.873 2.100 0.692 0.915 0.926 0.519 CA 1.606 28 residues pruned to eliminate duplicates Z: 38 23.986 1.779 0.503 0.899 1.000 0.838 CB 1.054 29 residues pruned to eliminate duplicates Z: 10 14.447 1.982 0.906 0.915 0.889 0.444 CB 1.013 10 residues pruned to eliminate duplicates Z: 11 12.314 1.858 0.319 0.763 0.900 0.800 CB 1.398 11 residues pruned to eliminate duplicates Z: 14 13.177 1.789 0.627 0.896 0.923 0.769 CB 0.974 14 residues pruned to eliminate duplicates Z: 21 32.091 1.958 0.761 0.942 1.000 0.700 CA 1.444 21 residues pruned to eliminate duplicates Z: 11 14.040 1.890 0.523 0.858 1.000 0.600 CA 1.136 11 residues pruned to eliminate duplicates Z: 16 10.962 1.898 0.364 0.506 0.933 0.667 CB 1.164 13 residues pruned to eliminate duplicates Z: 18 28.785 1.917 0.923 0.936 0.941 0.529 CA 1.401 18 residues pruned to eliminate duplicates Z: 11 13.115 1.657 0.430 0.858 1.000 0.900 CB 1.289 11 residues pruned to eliminate duplicates Z: 27 28.290 2.005 0.560 0.917 1.000 0.808 CB 1.252 27 residues pruned to eliminate duplicates Z: 18 25.880 2.028 0.726 0.925 0.941 0.706 CB 1.338 18 residues pruned to eliminate duplicates Z: 26 25.900 1.911 0.789 0.764 0.960 0.440 CB 1.249 26 residues pruned to eliminate duplicates Z: 11 15.779 1.797 0.627 0.901 0.900 0.500 CA 1.353 11 residues pruned to eliminate duplicates Z: 17 22.526 1.898 0.663 0.918 1.000 0.750 CB 1.258 17 residues pruned to eliminate duplicates Z: 26 38.726 2.033 0.986 0.940 0.960 0.520 CB 1.388 26 residues pruned to eliminate duplicates Z: 28 22.868 1.957 0.403 0.900 0.963 0.778 CB 1.189 28 residues pruned to eliminate duplicates Z: 28 23.064 1.927 0.566 0.880 0.926 0.630 CB 1.151 28 residues pruned to eliminate duplicates Z: 10 8.886 1.969 0.256 0.389 1.000 0.444 CB 1.348 10 residues pruned to eliminate duplicates Z: 18 23.282 1.872 0.751 0.926 0.882 0.471 CB 1.369 18 residues pruned to eliminate duplicates Z: 24 16.273 1.913 0.359 0.562 0.870 0.565 CB 1.413 24 residues pruned to eliminate duplicates Z: 26 30.559 1.839 0.674 0.923 1.000 0.920 CA 1.395 26 residues pruned to eliminate duplicates Z: 26 42.511 2.056 0.883 0.931 1.000 0.640 CB 1.534 27 residues pruned to eliminate duplicates Z: 22 22.437 1.856 0.740 0.908 0.952 0.571 CB 1.130 22 residues pruned to eliminate duplicates Z: 26 31.798 2.047 0.851 0.937 0.920 0.600 CB 1.270 26 residues pruned to eliminate duplicates Z: 18 24.242 1.981 0.616 0.938 1.000 0.471 CB 1.278 18 residues pruned to eliminate duplicates Z: 18 20.678 1.754 0.693 0.891 1.000 0.647 CA 1.214 18 residues pruned to eliminate duplicates Z: 32 31.098 1.963 0.712 0.822 0.935 0.645 CB 1.343 32 residues pruned to eliminate duplicates Z: 10 15.467 2.045 0.520 0.876 0.889 0.444 CB 1.356 10 residues pruned to eliminate duplicates Z: 26 39.103 2.028 0.751 0.937 1.000 0.760 CB 1.533 26 residues pruned to eliminate duplicates Z: 36 28.188 2.004 0.507 0.650 0.971 0.771 CB 1.411 36 residues pruned to eliminate duplicates Z: 26 32.349 1.995 0.631 0.942 0.960 0.520 CB 1.437 26 residues pruned to eliminate duplicates Z: 18 12.989 1.782 0.355 0.844 0.941 0.765 CB 1.032 15 residues pruned to eliminate duplicates Z: 17 14.991 1.904 0.238 0.893 1.000 0.750 CB 1.141 17 residues pruned to eliminate duplicates Z: 27 37.148 2.038 0.856 0.900 1.000 0.538 CB 1.376 27 residues pruned to eliminate duplicates Z: 31 34.759 1.924 0.766 0.850 0.933 0.600 CA 1.482 31 residues pruned to eliminate duplicates Z: 28 26.500 1.826 0.620 0.914 1.000 0.704 CB 1.219 28 residues pruned to eliminate duplicates Z: 9 19.247 1.957 0.681 0.832 1.000 1.000 CA 1.553 9 residues pruned to eliminate duplicates Z: 16 13.301 1.812 0.538 0.879 0.867 0.800 CB 1.031 18 residues pruned to eliminate duplicates Z: 10 8.888 1.777 0.415 0.844 0.889 0.889 CA 0.986 10 residues pruned to eliminate duplicates Z: 27 30.397 2.009 0.736 0.929 0.962 0.654 CB 1.244 27 residues pruned to eliminate duplicates Z: 7 2.425 1.791 0.114 0.251 0.833 0.667 CB 0.793 Z: 14 11.491 1.799 0.658 0.853 0.769 0.538 CB 1.027 14 residues pruned to eliminate duplicates Z: 26 33.652 2.045 0.771 0.926 1.000 0.600 CB 1.303 26 residues pruned to eliminate duplicates Z: 12 12.856 1.739 0.607 0.799 0.909 0.545 CA 1.175 12 residues pruned to eliminate duplicates Z: 11 9.334 1.461 0.214 0.860 1.000 0.800 CA 1.224 10 residues pruned to eliminate duplicates Z: 11 12.894 1.756 0.412 0.815 1.000 0.700 CA 1.251 11 residues pruned to eliminate duplicates Z: 11 19.132 1.947 0.557 0.930 1.000 0.600 CB 1.397 11 residues pruned to eliminate duplicates Z: 24 38.986 2.060 0.941 0.933 0.957 0.609 CB 1.482 24 residues pruned to eliminate duplicates Z: 12 9.398 1.446 0.540 0.784 1.000 0.636 CB 0.991 12 residues pruned to eliminate duplicates Z: 26 29.031 2.024 0.524 0.904 0.960 0.880 CB 1.397 26 residues pruned to eliminate duplicates Z: 20 14.163 1.789 0.360 0.887 0.842 0.632 CB 1.143 16 residues pruned to eliminate duplicates Z: 26 27.932 1.891 0.529 0.941 1.000 0.800 CA 1.340 26 residues pruned to eliminate duplicates Z: 12 12.052 1.731 0.429 0.820 1.000 0.909 CB 1.113 12 residues pruned to eliminate duplicates Z: 68 43.071 1.940 0.801 0.689 0.925 0.388 CB 1.368 75 residues pruned to eliminate duplicates Z: 18 19.820 1.838 0.530 0.896 1.000 0.824 CB 1.224 18 residues pruned to eliminate duplicates Z: 11 6.958 1.493 0.521 0.646 1.000 0.500 CB 0.846 11 residues pruned to eliminate duplicates Z: 12 10.317 1.721 0.531 0.755 0.818 0.545 CB 1.150 12 residues pruned to eliminate duplicates Z: 18 13.561 1.924 0.267 0.697 0.882 0.588 CB 1.278 18 residues pruned to eliminate duplicates Z: 20 12.685 1.767 0.278 0.850 0.947 0.737 CB 1.008 19 residues pruned to eliminate duplicates Z: 23 30.398 1.917 0.709 0.935 1.000 0.727 CB 1.379 23 residues pruned to eliminate duplicates Z: 11 10.975 1.855 0.322 0.798 1.000 0.800 CA 1.091 11 residues pruned to eliminate duplicates Z: 24 24.215 1.827 0.828 0.897 0.913 0.609 CB 1.185 24 residues pruned to eliminate duplicates Z: 27 31.987 1.947 0.891 0.945 1.000 0.462 CB 1.179 27 residues pruned to eliminate duplicates Z: 108 59.427 2.045 0.616 0.717 0.944 0.645 CB 1.513 108 residues pruned to eliminate duplicates Z: 7 2.854 1.700 -0.009 0.419 0.833 0.500 CB 0.904 7 residues pruned to eliminate duplicates Z: 18 16.523 1.890 0.473 0.889 0.941 0.588 CB 1.101 18 residues pruned to eliminate duplicates Z: 12 9.654 1.747 0.333 0.860 1.000 0.636 CA 0.919 12 residues pruned to eliminate duplicates Z: 21 16.787 1.998 0.305 0.622 0.950 0.700 CB 1.352 21 residues pruned to eliminate duplicates Z: 41 30.204 1.916 0.422 0.833 0.925 0.825 CA 1.422 41 residues pruned to eliminate duplicates Z: 16 21.370 1.957 0.879 0.875 0.867 0.733 CB 1.259 16 residues pruned to eliminate duplicates Z: 23 28.506 1.996 0.964 0.845 0.909 0.636 CB 1.268 23 residues pruned to eliminate duplicates Z: 25 16.625 1.892 0.295 0.517 0.958 0.542 CB 1.422 25 residues pruned to eliminate duplicates Z: 7 8.791 1.826 0.314 0.865 1.000 0.833 CA 1.096 7 residues pruned to eliminate duplicates Z: 25 33.219 1.876 0.839 0.933 0.958 0.750 CA 1.431 25 residues pruned to eliminate duplicates Z: 13 11.358 1.840 0.471 0.757 0.917 0.833 CB 1.051 12 residues pruned to eliminate duplicates Z: 29 25.236 1.867 0.827 0.693 0.893 0.750 CB 1.313 29 residues pruned to eliminate duplicates Z: 26 26.523 1.840 0.630 0.909 0.960 0.920 CA 1.308 26 residues pruned to eliminate duplicates Z: 27 29.708 1.832 0.725 0.919 1.000 0.846 CA 1.299 27 residues pruned to eliminate duplicates Z: 19 13.658 1.777 0.328 0.866 0.889 0.722 CB 1.123 19 residues pruned to eliminate duplicates Z: 28 27.841 1.885 0.615 0.943 1.000 0.815 CB 1.219 28 residues pruned to eliminate duplicates Z: 20 16.505 1.813 0.521 0.882 0.895 0.632 CB 1.111 20 residues pruned to eliminate duplicates Z: 20 15.519 1.794 0.374 0.885 0.947 0.789 CB 1.101 20 residues pruned to eliminate duplicates Z: 15 27.776 2.094 0.887 0.893 0.929 0.643 CB 1.453 15 residues pruned to eliminate duplicates Z: 11 6.392 1.443 0.407 0.730 0.900 0.500 CB 0.900 11 residues pruned to eliminate duplicates Z: 20 18.023 1.850 0.544 0.884 0.947 0.526 CB 1.104 20 residues pruned to eliminate duplicates Z: 6 2.376 1.476 0.198 0.305 0.600 0.400 N 1.245 Z: 33 19.416 1.906 0.430 0.646 0.906 0.500 CB 1.212 33 residues pruned to eliminate duplicates Z: 28 35.452 1.979 0.979 0.926 0.926 0.444 CB 1.319 28 residues pruned to eliminate duplicates Z: 26 30.772 1.964 0.660 0.913 0.960 0.560 CB 1.391 26 residues pruned to eliminate duplicates Z: 29 26.958 1.970 0.533 0.922 0.964 0.786 CB 1.230 29 residues pruned to eliminate duplicates Z: 11 12.920 1.897 0.446 0.854 1.000 0.600 CA 1.100 11 residues pruned to eliminate duplicates Z: 9 15.684 1.858 0.838 0.830 0.875 0.750 CB 1.396 9 residues pruned to eliminate duplicates Z: 26 25.193 1.976 0.368 0.929 0.960 0.840 CB 1.359 26 residues pruned to eliminate duplicates Z: 11 14.957 1.942 0.910 0.882 0.900 0.500 CB 1.025 11 residues pruned to eliminate duplicates Z: 7 2.286 1.459 0.198 0.334 0.667 0.333 CB 0.961 Z: 22 15.961 1.809 0.563 0.703 0.857 0.714 CB 1.195 22 residues pruned to eliminate duplicates Z: 25 30.077 1.851 0.742 0.930 1.000 0.792 CB 1.331 25 residues pruned to eliminate duplicates Z: 13 10.534 1.725 0.363 0.783 0.833 0.417 CB 1.210 13 residues pruned to eliminate duplicates Z: 16 17.351 1.794 0.522 0.858 1.000 0.667 CA 1.208 16 residues pruned to eliminate duplicates Z: 9 9.547 1.919 0.118 0.881 0.875 0.500 CA 1.303 9 residues pruned to eliminate duplicates Z: 37 26.520 1.933 0.326 0.869 0.917 0.778 CB 1.374 37 residues pruned to eliminate duplicates Z: 23 33.912 2.101 0.758 0.908 1.000 0.773 CB 1.390 23 residues pruned to eliminate duplicates Z: 25 31.854 1.887 0.861 0.932 0.958 0.500 CB 1.349 25 residues pruned to eliminate duplicates Z: 21 20.999 1.754 0.843 0.919 0.950 0.750 CB 1.077 20 residues pruned to eliminate duplicates Z: 7 2.719 1.470 0.794 0.257 0.667 0.500 CB 0.835 Z: 19 14.070 1.913 0.316 0.654 0.944 0.667 CB 1.209 19 residues pruned to eliminate duplicates Z: 29 34.669 1.965 0.731 0.873 0.964 0.429 CA 1.454 29 residues pruned to eliminate duplicates Z: 143 68.641 2.013 0.747 0.771 0.944 0.606 CB 1.366 115 residues pruned to eliminate duplicates Z: 14 12.859 1.759 0.382 0.816 1.000 0.769 CB 1.115 14 residues pruned to eliminate duplicates Z: 9 15.124 1.811 0.859 0.867 0.875 0.375 CB 1.328 9 residues pruned to eliminate duplicates Z: 41 31.882 2.036 0.385 0.730 1.000 0.775 CA 1.453 41 residues pruned to eliminate duplicates Z: 7 6.163 1.633 0.350 0.686 0.833 0.500 CB 1.156 7 residues pruned to eliminate duplicates Z: 16 14.684 1.787 0.239 0.924 1.000 0.733 CA 1.203 16 residues pruned to eliminate duplicates Z: 29 38.216 1.920 1.008 0.930 0.964 0.286 CB 1.359 27 residues pruned to eliminate duplicates Z: 12 10.155 1.795 0.453 0.843 0.818 0.455 CA 1.068 12 residues pruned to eliminate duplicates Z: 7 4.962 1.561 0.416 0.656 0.833 0.667 CB 0.951 Z: 8 8.229 1.718 0.152 0.755 1.000 0.571 CA 1.252 8 residues pruned to eliminate duplicates Z: 7 6.371 1.553 0.582 0.822 1.000 1.000 CB 0.800 7 residues pruned to eliminate duplicates Z: 12 11.314 1.686 0.484 0.821 0.909 0.727 CA 1.135 12 residues pruned to eliminate duplicates Z: 8 7.505 1.874 0.533 0.277 0.857 0.714 CB 1.482 8 residues pruned to eliminate duplicates Z: 30 39.728 1.866 0.962 0.920 1.000 0.552 CB 1.419 30 residues pruned to eliminate duplicates Z: 56 44.761 1.993 0.799 0.747 0.927 0.473 CB 1.457 56 residues pruned to eliminate duplicates Z: 37 29.034 1.931 0.768 0.645 0.889 0.444 CB 1.392 37 residues pruned to eliminate duplicates Z: 27 37.419 2.009 0.956 0.933 0.962 0.500 CB 1.355 27 residues pruned to eliminate duplicates Z: 21 26.015 2.051 0.855 0.882 0.900 0.600 CB 1.229 21 residues pruned to eliminate duplicates Z: 17 17.673 1.831 0.545 0.896 1.000 0.750 CB 1.119 17 residues pruned to eliminate duplicates Z: 7 2.907 1.365 0.621 0.518 0.833 0.833 CB 0.632 Z: 30 27.473 1.906 0.820 0.807 0.966 0.552 CB 1.166 30 residues pruned to eliminate duplicates Z: 26 24.903 2.042 0.519 0.919 0.880 0.720 CB 1.285 26 residues pruned to eliminate duplicates Z: 21 26.324 1.944 0.759 0.846 0.950 0.650 CB 1.346 21 residues pruned to eliminate duplicates Z: 18 19.753 1.966 0.515 0.916 0.941 0.765 CB 1.207 18 residues pruned to eliminate duplicates Z: 7 2.697 1.648 0.493 0.236 0.667 0.333 CB 0.911 Using tripeptides from previous cycle as seeds Z: 26 30.436 1.906 0.599 0.933 1.000 0.960 CA 1.394 26 residues pruned to eliminate duplicates Z: 26 25.931 1.834 0.566 0.892 0.960 0.880 CA 1.351 26 residues pruned to eliminate duplicates Z: 27 28.189 1.822 0.689 0.887 0.962 0.769 CA 1.347 27 residues pruned to eliminate duplicates Z: 26 30.368 1.868 0.694 0.895 1.000 0.800 CB 1.376 26 residues pruned to eliminate duplicates Z: 25 27.383 1.876 0.589 0.900 0.958 0.750 CA 1.397 25 residues pruned to eliminate duplicates Z: 27 30.224 1.863 0.687 0.887 1.000 0.846 CA 1.360 27 residues pruned to eliminate duplicates Z: 21 28.315 1.900 0.715 0.900 0.950 0.800 CB 1.461 21 residues pruned to eliminate duplicates Z: 35 32.412 1.856 0.807 0.773 0.971 0.618 CB 1.341 37 residues pruned to eliminate duplicates Z: 26 33.515 1.895 0.830 0.934 1.000 0.760 CB 1.348 26 residues pruned to eliminate duplicates Z: 24 28.781 1.847 0.822 0.888 0.957 0.826 CB 1.343 24 residues pruned to eliminate duplicates Z: 23 32.359 1.898 0.814 0.919 1.000 0.682 CB 1.412 23 residues pruned to eliminate duplicates Z: 19 23.498 1.917 0.557 0.890 0.944 0.611 CA 1.413 19 residues pruned to eliminate duplicates Z: 14 21.892 1.907 1.002 0.778 0.923 0.538 CA 1.349 14 residues pruned to eliminate duplicates Z: 22 25.550 1.889 0.706 0.857 0.905 0.714 CB 1.409 22 residues pruned to eliminate duplicates Z: 20 30.110 1.914 0.906 0.901 0.947 0.684 CB 1.426 20 residues pruned to eliminate duplicates Z: 33 21.645 1.769 0.577 0.694 0.938 0.562 CB 1.225 33 residues pruned to eliminate duplicates Z: 10 7.825 1.703 0.474 0.586 0.778 0.667 CA 1.230 10 residues pruned to eliminate duplicates Z: 23 33.113 1.887 0.872 0.903 1.000 0.500 CB 1.425 23 residues pruned to eliminate duplicates Z: 19 18.750 1.833 0.651 0.893 0.833 0.556 CB 1.258 19 residues pruned to eliminate duplicates Z: 25 28.187 1.877 0.699 0.908 0.917 0.583 CB 1.397 25 residues pruned to eliminate duplicates Z: 24 16.891 1.786 0.680 0.710 0.826 0.565 CB 1.174 24 residues pruned to eliminate duplicates Z: 27 28.829 1.844 0.780 0.899 0.885 0.538 CB 1.392 27 residues pruned to eliminate duplicates Z: 23 27.227 1.862 0.981 0.896 0.864 0.455 CB 1.305 23 residues pruned to eliminate duplicates Z: 27 23.415 1.889 0.651 0.689 0.923 0.808 CA 1.341 27 residues pruned to eliminate duplicates Z: 13 9.834 1.891 0.501 0.622 0.833 0.667 CB 1.070 13 residues pruned to eliminate duplicates Z: 36 27.588 1.837 0.617 0.750 0.914 0.657 CB 1.374 36 residues pruned to eliminate duplicates Z: 14 14.931 1.783 0.771 0.688 1.000 0.615 CB 1.104 13 residues pruned to eliminate duplicates Z: 11 16.160 1.879 0.702 0.844 1.000 0.800 CB 1.189 12 residues pruned to eliminate duplicates Z: 11 17.625 1.907 0.692 0.854 1.000 1.000 CB 1.276 11 residues pruned to eliminate duplicates Z: 12 17.652 1.953 0.641 0.787 1.000 0.818 CB 1.290 13 residues pruned to eliminate duplicates Z: 12 11.691 1.715 0.480 0.835 0.909 0.636 CB 1.144 11 residues pruned to eliminate duplicates Z: 13 14.583 1.860 0.610 0.707 1.000 0.750 CB 1.164 13 residues pruned to eliminate duplicates Z: 13 13.521 1.829 0.705 0.705 0.833 0.500 CB 1.247 13 residues pruned to eliminate duplicates Z: 10 7.935 1.516 0.410 0.824 0.889 0.667 CB 1.051 10 residues pruned to eliminate duplicates Z: 16 7.430 1.643 0.390 0.532 0.800 0.600 CB 1.017 16 residues pruned to eliminate duplicates Z: 10 7.149 1.598 0.521 0.625 1.000 0.667 CB 0.872 10 residues pruned to eliminate duplicates Z: 11 5.772 1.511 0.253 0.682 0.900 0.500 CB 0.906 11 residues pruned to eliminate duplicates Z: 59 35.753 1.924 0.513 0.784 0.966 0.724 CB 1.301 59 residues pruned to eliminate duplicates Z: 19 9.190 1.584 0.380 0.647 0.889 0.667 CB 0.972 19 residues pruned to eliminate duplicates Z: 57 44.157 1.989 0.681 0.842 0.964 0.786 CB 1.364 57 residues pruned to eliminate duplicates Z: 62 44.063 1.948 0.598 0.826 1.000 0.820 CB 1.367 62 residues pruned to eliminate duplicates Z: 19 12.543 1.700 0.599 0.742 1.000 0.611 CB 0.876 20 residues pruned to eliminate duplicates Z: 17 10.339 1.684 0.625 0.727 0.875 0.562 CB 0.880 17 residues pruned to eliminate duplicates Z: 16 13.391 1.741 0.564 0.726 1.000 0.533 CB 1.036 16 residues pruned to eliminate duplicates Z: 28 23.274 1.873 0.477 0.892 0.926 0.667 CA 1.256 28 residues pruned to eliminate duplicates Z: 10 7.321 1.703 0.537 0.584 0.889 0.444 CB 0.967 10 residues pruned to eliminate duplicates Z: 75 41.468 1.877 0.707 0.754 0.932 0.662 CB 1.287 75 residues pruned to eliminate duplicates Z: 58 45.818 2.003 0.712 0.818 0.965 0.702 CB 1.392 58 residues pruned to eliminate duplicates Z: 53 48.921 2.050 0.733 0.862 1.000 0.788 CA 1.402 53 residues pruned to eliminate duplicates Z: 64 45.890 1.975 0.715 0.809 0.984 0.730 CB 1.325 64 residues pruned to eliminate duplicates Z: 63 45.645 1.982 0.617 0.831 0.968 0.661 CB 1.404 63 residues pruned to eliminate duplicates Z: 41 39.748 2.065 0.857 0.800 0.925 0.750 CA 1.362 41 residues pruned to eliminate duplicates Z: 46 48.636 2.089 0.816 0.851 0.978 0.756 CA 1.446 46 residues pruned to eliminate duplicates Z: 58 40.479 1.954 0.760 0.811 0.930 0.667 CB 1.279 58 residues pruned to eliminate duplicates Z: 40 25.200 1.846 0.771 0.779 0.821 0.590 CB 1.177 40 residues pruned to eliminate duplicates Z: 25 25.577 2.028 0.668 0.807 0.917 0.625 CA 1.288 25 residues pruned to eliminate duplicates Z: 59 42.061 1.968 0.671 0.762 0.931 0.672 CA 1.429 59 residues pruned to eliminate duplicates Z: 41 40.705 2.066 0.691 0.838 0.975 0.725 CA 1.412 41 residues pruned to eliminate duplicates Z: 42 42.850 2.104 0.751 0.823 0.951 0.659 CA 1.444 42 residues pruned to eliminate duplicates Z: 55 36.205 1.984 0.757 0.758 0.870 0.611 CB 1.291 55 residues pruned to eliminate duplicates Z: 63 44.547 1.969 0.722 0.821 0.952 0.613 CB 1.328 63 residues pruned to eliminate duplicates Z: 48 39.800 2.024 0.764 0.754 0.894 0.617 CA 1.451 48 residues pruned to eliminate duplicates Z: 57 38.249 1.985 0.769 0.747 0.857 0.554 CB 1.362 57 residues pruned to eliminate duplicates Z: 38 48.381 2.133 0.949 0.865 0.946 0.514 CA 1.482 38 residues pruned to eliminate duplicates Z: 50 53.036 2.027 0.981 0.871 0.980 0.612 CB 1.405 51 residues pruned to eliminate duplicates Z: 16 22.386 2.008 0.832 0.898 0.867 0.333 CB 1.297 16 residues pruned to eliminate duplicates Z: 43 41.344 2.074 0.706 0.816 0.976 0.714 CA 1.404 43 residues pruned to eliminate duplicates Z: 38 43.331 2.096 0.910 0.764 0.973 0.568 CB 1.447 38 residues pruned to eliminate duplicates Z: 38 48.192 2.128 0.945 0.852 1.000 0.459 CB 1.416 38 residues pruned to eliminate duplicates Z: 36 40.386 2.122 0.898 0.804 0.971 0.600 CA 1.338 36 residues pruned to eliminate duplicates Z: 43 42.847 2.060 0.823 0.793 0.952 0.571 CA 1.430 43 residues pruned to eliminate duplicates Z: 29 35.345 2.077 0.771 0.755 1.000 0.750 CA 1.447 29 residues pruned to eliminate duplicates Z: 45 46.346 2.080 0.785 0.817 0.977 0.705 CA 1.463 45 residues pruned to eliminate duplicates Z: 53 44.034 2.019 0.818 0.780 0.942 0.635 CB 1.379 53 residues pruned to eliminate duplicates Z: 36 41.036 2.121 0.786 0.821 0.971 0.657 CA 1.426 36 residues pruned to eliminate duplicates Z: 46 47.984 2.084 0.790 0.835 1.000 0.733 CA 1.436 46 residues pruned to eliminate duplicates Z: 52 50.430 2.062 0.793 0.872 0.961 0.608 CB 1.448 52 residues pruned to eliminate duplicates Z: 48 44.279 2.041 0.768 0.817 0.957 0.532 CA 1.420 48 residues pruned to eliminate duplicates Z: 58 37.019 1.910 0.677 0.658 0.912 0.684 CB 1.449 58 residues pruned to eliminate duplicates Z: 42 42.495 2.048 0.951 0.739 0.951 0.463 CB 1.410 42 residues pruned to eliminate duplicates Z: 59 44.466 1.957 0.751 0.728 0.983 0.586 CB 1.412 59 residues pruned to eliminate duplicates Z: 55 35.972 1.927 0.810 0.664 0.944 0.556 CB 1.276 55 residues pruned to eliminate duplicates Z: 42 46.112 2.098 0.837 0.823 0.976 0.610 CA 1.447 42 residues pruned to eliminate duplicates Z: 43 42.018 2.058 0.760 0.807 0.976 0.595 CA 1.403 43 residues pruned to eliminate duplicates Z: 44 43.140 2.027 0.846 0.781 0.977 0.512 CA 1.404 44 residues pruned to eliminate duplicates Z: 46 46.408 2.041 0.838 0.838 0.956 0.600 CA 1.442 46 residues pruned to eliminate duplicates Z: 43 49.228 2.087 0.938 0.807 0.976 0.548 CB 1.472 43 residues pruned to eliminate duplicates Z: 62 40.629 1.966 0.718 0.744 0.902 0.492 CB 1.373 62 residues pruned to eliminate duplicates Z: 62 42.202 1.947 0.814 0.767 0.951 0.590 CB 1.270 62 residues pruned to eliminate duplicates Z: 48 50.243 2.046 0.936 0.867 0.957 0.511 CB 1.414 48 residues pruned to eliminate duplicates Z: 47 49.258 2.047 0.901 0.872 0.978 0.478 CB 1.390 47 residues pruned to eliminate duplicates Z: 68 48.757 1.919 0.881 0.853 1.000 0.448 CB 1.219 68 residues pruned to eliminate duplicates Z: 45 49.552 2.055 0.941 0.854 0.977 0.500 CB 1.415 45 residues pruned to eliminate duplicates Z: 19 25.585 1.915 0.763 0.897 0.944 0.500 CB 1.353 19 residues pruned to eliminate duplicates Z: 50 43.939 2.025 0.824 0.850 0.939 0.531 CB 1.341 50 residues pruned to eliminate duplicates Z: 47 50.953 2.032 0.972 0.875 1.000 0.457 CB 1.363 47 residues pruned to eliminate duplicates Z: 32 24.464 2.055 0.421 0.594 0.935 0.548 CA 1.470 32 residues pruned to eliminate duplicates Z: 43 32.219 2.006 0.487 0.716 0.976 0.690 CA 1.404 43 residues pruned to eliminate duplicates Z: 99 56.851 2.045 0.588 0.740 0.949 0.745 CA 1.503 99 residues pruned to eliminate duplicates Z: 41 35.001 2.026 0.543 0.717 0.975 0.800 CB 1.492 41 residues pruned to eliminate duplicates Z: 58 40.155 2.031 0.543 0.760 0.947 0.649 CB 1.422 58 residues pruned to eliminate duplicates Z: 30 27.227 2.077 0.419 0.642 1.000 0.724 CA 1.502 30 residues pruned to eliminate duplicates Z: 47 32.758 1.982 0.464 0.697 0.957 0.696 CB 1.453 47 residues pruned to eliminate duplicates Z: 32 26.251 2.059 0.442 0.599 0.968 0.677 CA 1.493 32 residues pruned to eliminate duplicates Z: 41 37.478 2.032 0.597 0.758 0.950 0.650 CB 1.528 41 residues pruned to eliminate duplicates Z: 35 34.837 2.066 0.655 0.667 1.000 0.618 CB 1.496 35 residues pruned to eliminate duplicates Z: 110 53.570 2.005 0.710 0.653 0.917 0.431 CB 1.415 52 residues pruned to eliminate duplicates Z: 10 15.410 1.996 0.137 0.867 1.000 0.556 CB 1.655 10 residues pruned to eliminate duplicates Z: 29 28.438 2.133 0.516 0.635 0.929 0.679 CA 1.577 29 residues pruned to eliminate duplicates Z: 37 27.158 1.985 0.530 0.632 0.944 0.611 CA 1.395 37 residues pruned to eliminate duplicates Z: 34 29.269 2.056 0.528 0.648 0.939 0.576 CA 1.503 34 residues pruned to eliminate duplicates Z: 35 33.598 2.091 0.612 0.666 0.971 0.735 CB 1.511 35 residues pruned to eliminate duplicates Z: 37 29.571 2.026 0.605 0.622 0.944 0.639 CB 1.429 37 residues pruned to eliminate duplicates Z: 36 30.074 2.029 0.511 0.638 0.971 0.714 CB 1.499 36 residues pruned to eliminate duplicates Z: 36 31.374 1.969 0.683 0.645 0.971 0.600 CB 1.439 36 residues pruned to eliminate duplicates Z: 46 33.607 1.983 0.553 0.697 0.956 0.644 CB 1.422 46 residues pruned to eliminate duplicates Z: 87 44.636 2.020 0.508 0.617 0.965 0.581 CB 1.465 87 residues pruned to eliminate duplicates Z: 32 26.282 2.088 0.549 0.598 0.935 0.516 CB 1.421 32 residues pruned to eliminate duplicates Z: 44 37.549 2.020 0.643 0.721 0.977 0.628 CA 1.447 44 residues pruned to eliminate duplicates Z: 35 36.040 2.083 0.713 0.672 1.000 0.559 CB 1.477 35 residues pruned to eliminate duplicates Z: 28 34.216 2.024 0.600 0.855 1.000 0.741 CA 1.501 28 residues pruned to eliminate duplicates Z: 37 31.942 2.036 0.731 0.631 0.944 0.528 CB 1.413 37 residues pruned to eliminate duplicates Z: 180 77.356 2.063 0.592 0.767 0.950 0.687 CB 1.463 139 residues pruned to eliminate duplicates Z: 21 31.624 2.030 0.762 0.928 1.000 0.650 CB 1.384 21 residues pruned to eliminate duplicates Z: 43 40.134 2.039 0.694 0.745 1.000 0.619 CB 1.441 43 residues pruned to eliminate duplicates Z: 35 34.542 2.045 0.734 0.668 0.971 0.324 CB 1.474 35 residues pruned to eliminate duplicates Z: 34 36.687 2.059 0.774 0.680 0.970 0.424 CB 1.527 33 residues pruned to eliminate duplicates Z: 14 32.579 2.023 1.160 0.929 1.000 0.385 CA 1.447 14 residues pruned to eliminate duplicates Z: 98 55.835 2.049 0.590 0.730 0.938 0.639 CB 1.508 98 residues pruned to eliminate duplicates Z: 80 53.866 2.030 0.692 0.743 0.949 0.557 CA 1.496 80 residues pruned to eliminate duplicates Z: 9 8.489 1.880 0.171 0.750 1.000 0.750 CA 1.090 9 residues pruned to eliminate duplicates Z: 46 37.245 2.016 0.519 0.798 0.956 0.689 CA 1.463 46 residues pruned to eliminate duplicates Z: 96 55.539 2.051 0.550 0.716 0.958 0.642 CB 1.539 96 residues pruned to eliminate duplicates Z: 98 53.499 2.026 0.562 0.698 0.959 0.629 CB 1.494 98 residues pruned to eliminate duplicates Z: 69 43.398 1.994 0.535 0.713 0.971 0.691 CB 1.460 69 residues pruned to eliminate duplicates Z: 69 38.764 1.952 0.503 0.714 0.941 0.632 CA 1.403 69 residues pruned to eliminate duplicates Z: 34 34.156 1.976 0.727 0.748 0.939 0.606 CB 1.486 34 residues pruned to eliminate duplicates Z: 67 43.767 2.005 0.523 0.734 0.985 0.606 CA 1.451 67 residues pruned to eliminate duplicates Z: 98 53.436 2.022 0.639 0.691 0.928 0.536 CB 1.482 98 residues pruned to eliminate duplicates Z: 46 41.525 2.040 0.614 0.774 0.956 0.756 CA 1.544 46 residues pruned to eliminate duplicates Z: 48 43.206 2.006 0.746 0.777 0.915 0.681 CB 1.540 48 residues pruned to eliminate duplicates Z: 47 42.438 2.021 0.687 0.781 0.978 0.717 CA 1.464 47 residues pruned to eliminate duplicates Z: 97 47.103 2.014 0.527 0.637 0.938 0.552 CB 1.466 97 residues pruned to eliminate duplicates Z: 55 43.628 2.057 0.619 0.715 0.944 0.556 CA 1.554 55 residues pruned to eliminate duplicates Z: 51 34.927 2.037 0.472 0.666 0.940 0.580 CB 1.503 51 residues pruned to eliminate duplicates Z: 66 44.148 2.024 0.549 0.713 0.969 0.585 CA 1.485 66 residues pruned to eliminate duplicates Z: 84 49.769 2.026 0.576 0.720 0.928 0.542 CB 1.511 84 residues pruned to eliminate duplicates Z: 58 38.992 1.996 0.580 0.673 0.930 0.544 CA 1.502 58 residues pruned to eliminate duplicates Z: 62 41.609 2.008 0.593 0.678 0.934 0.590 CA 1.513 62 residues pruned to eliminate duplicates Z: 43 38.656 2.032 0.671 0.727 0.905 0.571 CB 1.581 43 residues pruned to eliminate duplicates Z: 46 43.612 2.049 0.688 0.786 0.956 0.578 CA 1.530 46 residues pruned to eliminate duplicates Z: 60 45.546 2.032 0.649 0.718 0.966 0.475 CB 1.504 60 residues pruned to eliminate duplicates Z: 114 60.333 2.024 0.686 0.701 0.947 0.451 CB 1.463 81 residues pruned to eliminate duplicates Z: 29 42.150 2.123 0.757 0.940 0.929 0.571 CA 1.597 29 residues pruned to eliminate duplicates Z: 80 54.357 2.028 0.731 0.725 0.937 0.468 CB 1.518 80 residues pruned to eliminate duplicates Z: 47 50.695 2.025 0.861 0.809 0.978 0.587 CB 1.549 47 residues pruned to eliminate duplicates Z: 98 55.843 2.027 0.671 0.685 0.959 0.495 CB 1.473 98 residues pruned to eliminate duplicates Z: 29 48.301 2.094 0.909 0.942 0.964 0.571 CA 1.643 29 residues pruned to eliminate duplicates Z: 69 46.517 2.000 0.672 0.725 0.971 0.485 CB 1.419 69 residues pruned to eliminate duplicates Z: 66 44.030 2.017 0.655 0.734 0.892 0.523 CB 1.486 66 residues pruned to eliminate duplicates Z: 45 50.877 1.977 0.946 0.815 0.977 0.455 CB 1.551 45 residues pruned to eliminate duplicates Z: 46 50.923 2.034 0.914 0.792 0.956 0.422 CA 1.579 46 residues pruned to eliminate duplicates Z: 64 48.766 2.022 0.751 0.680 0.984 0.476 CB 1.495 64 residues pruned to eliminate duplicates Z: 47 47.797 2.014 0.874 0.772 0.957 0.370 CB 1.535 47 residues pruned to eliminate duplicates Z: 77 55.225 2.031 0.764 0.712 0.947 0.539 CB 1.541 77 residues pruned to eliminate duplicates Z: 67 49.665 2.028 0.747 0.719 0.939 0.485 CB 1.507 67 residues pruned to eliminate duplicates Z: 49 40.976 1.989 0.787 0.752 0.917 0.458 CB 1.449 49 residues pruned to eliminate duplicates Z: 69 46.496 1.986 0.709 0.723 0.941 0.441 CB 1.443 69 residues pruned to eliminate duplicates Z: 56 44.787 2.032 0.695 0.705 0.945 0.455 CB 1.539 56 residues pruned to eliminate duplicates Z: 55 47.383 2.075 0.730 0.728 0.963 0.537 CB 1.519 55 residues pruned to eliminate duplicates Z: 30 46.484 2.048 1.011 0.920 0.931 0.414 CB 1.585 30 residues pruned to eliminate duplicates Z: 99 54.651 2.026 0.692 0.681 0.929 0.510 CB 1.469 99 residues pruned to eliminate duplicates Z: 67 49.747 2.022 0.790 0.734 0.924 0.545 CB 1.483 67 residues pruned to eliminate duplicates Z: 30 38.937 2.028 0.904 0.811 0.897 0.276 CB 1.593 30 residues pruned to eliminate duplicates Z: 12 6.280 1.745 0.063 0.484 0.818 0.455 CB 1.269 12 residues pruned to eliminate duplicates Z: 97 53.181 2.041 0.688 0.702 0.906 0.448 CB 1.447 97 residues pruned to eliminate duplicates Z: 59 43.813 1.984 0.787 0.692 0.914 0.379 CB 1.490 59 residues pruned to eliminate duplicates Z: 65 50.216 2.008 0.865 0.751 0.922 0.438 CB 1.453 66 residues pruned to eliminate duplicates Z: 14 11.966 1.865 0.446 0.714 1.000 0.385 CA 1.014 14 residues pruned to eliminate duplicates Z: 57 45.066 2.030 0.860 0.710 0.911 0.446 CB 1.448 57 residues pruned to eliminate duplicates Z: 22 18.665 1.971 0.431 0.604 0.952 0.524 CB 1.373 22 residues pruned to eliminate duplicates Z: 25 16.610 1.904 0.448 0.548 0.917 0.625 CB 1.280 25 residues pruned to eliminate duplicates Z: 60 36.089 1.937 0.741 0.607 0.864 0.373 CB 1.456 60 residues pruned to eliminate duplicates Z: 23 10.646 1.851 0.370 0.332 0.864 0.409 CB 1.245 23 residues pruned to eliminate duplicates Z: 54 39.680 2.022 0.770 0.656 0.906 0.472 CB 1.455 54 residues pruned to eliminate duplicates Z: 94 54.015 2.025 0.715 0.661 0.957 0.419 CB 1.451 94 residues pruned to eliminate duplicates Z: 61 35.727 1.968 0.703 0.630 0.883 0.367 CB 1.378 61 residues pruned to eliminate duplicates Z: 65 49.009 2.005 0.750 0.742 0.953 0.406 CB 1.475 65 residues pruned to eliminate duplicates Z: 67 43.548 1.982 0.747 0.655 0.924 0.455 CB 1.451 65 residues pruned to eliminate duplicates Z: 25 29.024 2.090 0.792 0.908 0.875 0.708 CB 1.284 25 residues pruned to eliminate duplicates Z: 24 16.635 2.000 0.496 0.613 0.826 0.565 CB 1.262 24 residues pruned to eliminate duplicates Z: 78 44.943 2.076 0.485 0.807 0.935 0.753 CB 1.359 78 residues pruned to eliminate duplicates Z: 9 14.358 2.129 0.806 0.667 0.875 0.250 CB 1.293 9 residues pruned to eliminate duplicates Z: 9 18.761 2.187 0.869 0.674 1.000 0.375 CB 1.382 Z: 29 30.828 1.992 0.624 0.919 0.964 0.679 CB 1.316 38 residues pruned to eliminate duplicates Z: 13 19.215 2.157 0.667 0.821 0.917 0.500 CB 1.273 13 residues pruned to eliminate duplicates Z: 82 49.183 2.057 0.503 0.822 0.963 0.765 CB 1.388 82 residues pruned to eliminate duplicates Z: 17 28.983 2.148 1.056 0.769 0.938 0.688 CB 1.379 17 residues pruned to eliminate duplicates Z: 79 53.469 2.084 0.661 0.825 0.962 0.808 CB 1.373 79 residues pruned to eliminate duplicates Z: 33 23.525 1.963 0.566 0.723 0.844 0.719 CB 1.310 33 residues pruned to eliminate duplicates Z: 77 45.346 2.043 0.580 0.739 0.947 0.684 CB 1.374 77 residues pruned to eliminate duplicates Z: 55 35.136 2.000 0.655 0.735 0.926 0.648 CB 1.264 55 residues pruned to eliminate duplicates Z: 83 54.978 2.056 0.655 0.819 0.976 0.695 CB 1.386 83 residues pruned to eliminate duplicates Z: 24 33.061 2.129 0.836 0.876 0.913 0.696 CB 1.403 24 residues pruned to eliminate duplicates Z: 27 29.715 2.009 0.931 0.808 0.962 0.538 CB 1.195 27 residues pruned to eliminate duplicates Z: 57 38.207 1.997 0.597 0.811 0.964 0.732 CB 1.266 57 residues pruned to eliminate duplicates Z: 82 53.596 2.048 0.663 0.809 0.963 0.741 CB 1.387 82 residues pruned to eliminate duplicates Z: 77 55.097 2.083 0.716 0.798 0.987 0.750 CB 1.381 77 residues pruned to eliminate duplicates Z: 81 53.951 2.041 0.764 0.776 0.950 0.588 CB 1.382 81 residues pruned to eliminate duplicates Z: 25 30.031 2.099 0.874 0.875 0.917 0.500 CB 1.237 25 residues pruned to eliminate duplicates Z: 27 31.725 2.027 0.872 0.897 0.923 0.423 CB 1.272 27 residues pruned to eliminate duplicates Z: 102 55.951 2.013 0.623 0.796 0.950 0.673 CB 1.383 102 residues pruned to eliminate duplicates Z: 41 39.390 2.008 0.875 0.778 0.950 0.500 CB 1.362 41 residues pruned to eliminate duplicates Z: 65 48.146 2.056 0.703 0.797 0.969 0.594 CB 1.367 65 residues pruned to eliminate duplicates Z: 79 46.717 1.989 0.685 0.721 0.936 0.615 CB 1.381 Z: 34 26.766 1.934 0.482 0.801 0.939 0.758 CB 1.331 34 residues pruned to eliminate duplicates Z: 60 40.658 2.016 0.627 0.785 0.932 0.763 CB 1.347 59 residues pruned to eliminate duplicates Z: 31 24.595 1.874 0.416 0.895 1.000 0.767 CB 1.213 31 residues pruned to eliminate duplicates Z: 42 34.865 2.002 0.766 0.784 0.976 0.610 CB 1.229 122 residues pruned to eliminate duplicates Z: 79 53.190 2.034 0.713 0.809 0.974 0.603 CB 1.355 79 residues pruned to eliminate duplicates Z: 79 46.615 1.994 0.759 0.753 0.910 0.641 CB 1.320 79 residues pruned to eliminate duplicates Z: 104 55.619 2.037 0.626 0.761 0.971 0.699 CB 1.353 104 residues pruned to eliminate duplicates Z: 79 56.495 2.068 0.681 0.841 0.974 0.679 CB 1.409 79 residues pruned to eliminate duplicates Z: 80 55.873 2.052 0.758 0.834 0.949 0.684 CB 1.376 80 residues pruned to eliminate duplicates Z: 112 65.848 2.047 0.704 0.837 0.964 0.730 CB 1.390 113 residues pruned to eliminate duplicates Z: 28 26.794 1.973 0.495 0.913 0.963 0.704 CB 1.285 28 residues pruned to eliminate duplicates Z: 83 56.346 2.031 0.790 0.823 0.963 0.671 CB 1.342 83 residues pruned to eliminate duplicates Z: 48 41.575 2.005 0.715 0.827 0.957 0.787 CB 1.388 48 residues pruned to eliminate duplicates Z: 81 52.513 2.032 0.771 0.812 0.950 0.688 CB 1.310 81 residues pruned to eliminate duplicates Z: 83 53.126 2.034 0.717 0.810 0.951 0.720 CB 1.348 83 residues pruned to eliminate duplicates Z: 56 42.318 2.015 0.674 0.792 0.964 0.727 CB 1.359 56 residues pruned to eliminate duplicates Z: 80 55.586 2.076 0.597 0.875 0.975 0.797 CB 1.408 80 residues pruned to eliminate duplicates Z: 110 63.039 2.039 0.675 0.808 0.972 0.688 CB 1.389 110 residues pruned to eliminate duplicates Z: 44 38.125 2.069 0.555 0.839 0.977 0.814 CB 1.381 44 residues pruned to eliminate duplicates Z: 59 46.326 2.032 0.702 0.830 0.966 0.741 CB 1.370 59 residues pruned to eliminate duplicates Z: 58 46.354 2.043 0.705 0.821 0.965 0.719 CB 1.383 58 residues pruned to eliminate duplicates Z: 59 47.089 2.030 0.789 0.817 0.966 0.655 CB 1.339 59 residues pruned to eliminate duplicates Z: 77 52.375 2.054 0.747 0.823 0.947 0.632 CB 1.336 77 residues pruned to eliminate duplicates Z: 76 50.971 2.033 0.659 0.822 0.960 0.720 CB 1.375 76 residues pruned to eliminate duplicates Z: 54 42.625 2.041 0.694 0.807 0.943 0.698 CB 1.374 54 residues pruned to eliminate duplicates Z: 83 52.834 2.016 0.808 0.817 0.951 0.549 CB 1.278 83 residues pruned to eliminate duplicates Z: 59 45.712 2.062 0.657 0.829 0.966 0.741 CB 1.369 59 residues pruned to eliminate duplicates Z: 45 31.035 1.960 0.631 0.728 0.909 0.682 CB 1.311 45 residues pruned to eliminate duplicates Z: 162 76.466 2.038 0.762 0.762 0.932 0.522 CB 1.426 162 residues pruned to eliminate duplicates Z: 57 45.820 2.063 0.708 0.847 0.946 0.714 CB 1.362 57 residues pruned to eliminate duplicates Z: 61 43.378 1.997 0.608 0.804 0.983 0.667 CB 1.359 61 residues pruned to eliminate duplicates Z: 79 48.610 2.020 0.708 0.766 0.962 0.603 CB 1.311 79 residues pruned to eliminate duplicates Z: 82 58.169 2.028 0.881 0.826 0.963 0.617 CB 1.328 82 residues pruned to eliminate duplicates Z: 56 45.054 2.077 0.655 0.839 0.982 0.691 CB 1.344 56 residues pruned to eliminate duplicates Z: 79 57.002 2.071 0.711 0.865 0.987 0.679 CB 1.352 79 residues pruned to eliminate duplicates Z: 79 53.694 2.067 0.786 0.840 0.936 0.615 CB 1.314 79 residues pruned to eliminate duplicates Z: 79 61.846 2.083 0.827 0.864 1.000 0.679 CB 1.349 79 residues pruned to eliminate duplicates Z: 82 54.252 2.023 0.794 0.844 0.951 0.704 CB 1.301 82 residues pruned to eliminate duplicates Z: 47 39.238 2.027 0.694 0.826 0.957 0.761 CB 1.329 47 residues pruned to eliminate duplicates Z: 58 47.811 2.037 0.779 0.822 0.982 0.667 CB 1.346 58 residues pruned to eliminate duplicates Z: 47 41.547 2.027 0.694 0.808 0.957 0.761 CB 1.426 47 residues pruned to eliminate duplicates Z: 106 59.171 2.007 0.863 0.784 0.895 0.524 CB 1.344 106 residues pruned to eliminate duplicates Z: 62 46.814 2.001 0.776 0.786 0.984 0.656 CB 1.333 62 residues pruned to eliminate duplicates Z: 111 64.775 2.028 0.779 0.816 0.955 0.627 CB 1.363 111 residues pruned to eliminate duplicates Z: 81 61.909 2.072 0.953 0.836 0.950 0.600 CB 1.348 81 residues pruned to eliminate duplicates Z: 84 58.447 2.016 0.852 0.838 0.976 0.663 CB 1.316 84 residues pruned to eliminate duplicates Z: 61 50.373 2.023 0.854 0.817 0.983 0.633 CB 1.339 61 residues pruned to eliminate duplicates Z: 84 61.303 2.041 0.870 0.834 0.964 0.651 CB 1.371 84 residues pruned to eliminate duplicates Z: 89 53.756 2.022 0.869 0.765 0.932 0.625 CB 1.287 89 residues pruned to eliminate duplicates Z: 111 69.257 2.056 0.843 0.815 0.964 0.636 CB 1.376 111 residues pruned to eliminate duplicates Z: 146 74.271 2.046 0.665 0.779 0.966 0.676 CB 1.466 100 residues pruned to eliminate duplicates Z: 23 39.367 2.106 1.022 0.920 1.000 0.682 CB 1.388 23 residues pruned to eliminate duplicates Z: 42 42.593 2.035 0.820 0.811 0.976 0.707 CB 1.404 42 residues pruned to eliminate duplicates Z: 86 58.363 2.036 0.784 0.802 0.953 0.753 CB 1.404 86 residues pruned to eliminate duplicates Z: 32 26.886 1.895 0.738 0.820 0.935 0.710 CB 1.187 31 residues pruned to eliminate duplicates Z: 18 18.652 1.872 0.578 0.838 0.941 0.647 CB 1.216 18 residues pruned to eliminate duplicates Z: 20 14.060 1.854 0.487 0.680 0.789 0.421 CB 1.256 20 residues pruned to eliminate duplicates Z: 31 25.810 1.919 0.629 0.782 0.933 0.800 CB 1.260 31 residues pruned to eliminate duplicates Z: 32 27.337 1.903 0.648 0.825 1.000 0.613 CB 1.182 33 residues pruned to eliminate duplicates Z: 16 21.459 1.966 0.658 0.895 0.933 0.600 CB 1.305 16 residues pruned to eliminate duplicates Z: 35 26.029 1.830 0.632 0.777 0.941 0.500 CB 1.244 34 residues pruned to eliminate duplicates Z: 16 20.467 1.961 0.728 0.870 0.933 0.533 CB 1.219 16 residues pruned to eliminate duplicates Z: 26 20.520 1.878 0.478 0.739 0.960 0.760 CB 1.242 26 residues pruned to eliminate duplicates Z: 32 24.287 1.897 0.531 0.765 0.935 0.613 CB 1.269 32 residues pruned to eliminate duplicates Z: 17 20.314 1.901 0.736 0.824 0.938 0.250 CB 1.240 18 residues pruned to eliminate duplicates Z: 16 24.460 1.931 0.926 0.909 1.000 0.533 CB 1.204 16 residues pruned to eliminate duplicates Z: 17 25.459 1.919 0.930 0.860 1.000 0.500 CB 1.264 17 residues pruned to eliminate duplicates Z: 18 22.884 1.863 0.744 0.865 1.000 0.529 CB 1.252 17 residues pruned to eliminate duplicates Z: 17 23.742 1.939 0.855 0.848 1.000 0.500 CB 1.224 17 residues pruned to eliminate duplicates Z: 24 20.052 1.906 0.621 0.701 0.913 0.565 CB 1.234 24 residues pruned to eliminate duplicates Z: 31 25.087 1.798 0.823 0.748 0.967 0.433 CB 1.159 31 residues pruned to eliminate duplicates Z: 31 25.263 1.872 0.689 0.804 0.933 0.500 CB 1.198 31 residues pruned to eliminate duplicates Z: 32 24.716 1.871 0.676 0.765 0.903 0.613 CB 1.238 32 residues pruned to eliminate duplicates Z: 16 17.264 1.808 0.741 0.853 0.933 0.600 CB 1.121 16 residues pruned to eliminate duplicates Z: 13 13.713 1.887 0.686 0.773 0.833 0.750 CB 1.173 13 residues pruned to eliminate duplicates Z: 18 16.315 1.814 0.641 0.837 0.941 0.824 CB 1.056 18 residues pruned to eliminate duplicates Z: 13 14.166 1.905 0.693 0.811 0.833 0.750 CB 1.160 13 residues pruned to eliminate duplicates Z: 19 14.837 1.671 0.806 0.761 0.944 0.611 CB 0.973 19 residues pruned to eliminate duplicates Z: 20 19.139 1.781 0.624 0.887 1.000 0.947 CB 1.095 20 residues pruned to eliminate duplicates Z: 15 17.105 1.855 0.710 0.870 0.929 0.571 CB 1.133 15 residues pruned to eliminate duplicates Z: 15 16.539 1.850 0.580 0.867 0.929 0.786 CB 1.191 15 residues pruned to eliminate duplicates Z: 16 15.112 1.817 0.768 0.798 0.867 0.667 CB 1.080 16 residues pruned to eliminate duplicates Z: 15 18.761 1.887 0.669 0.922 1.000 0.714 CB 1.120 15 residues pruned to eliminate duplicates Z: 18 16.887 1.803 0.733 0.822 0.882 0.588 CB 1.124 18 residues pruned to eliminate duplicates Z: 32 20.299 1.810 0.769 0.691 0.871 0.516 CB 1.098 32 residues pruned to eliminate duplicates Z: 23 18.615 1.754 0.653 0.849 0.909 0.636 CB 1.116 24 residues pruned to eliminate duplicates Z: 20 20.355 1.776 0.934 0.899 0.895 0.632 CB 1.086 20 residues pruned to eliminate duplicates Z: 20 20.028 1.817 0.712 0.902 0.895 0.684 CB 1.178 20 residues pruned to eliminate duplicates Z: 21 23.013 1.839 0.698 0.897 0.950 0.700 CB 1.242 21 residues pruned to eliminate duplicates Z: 19 23.539 1.819 0.809 0.937 1.000 0.778 CB 1.173 19 residues pruned to eliminate duplicates 320 residues left after pruning, divided into chains as follows: A: 36 B: 66 C: 13 D: 113 E: 53 F: 39 CC for partial structure against native data = 42.26 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.354, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.402, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.478, Connect. = 0.760 for dens.mod. cycle 3 = 0.300, Contrast = 0.481, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.488, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.492, Connect. = 0.761 for dens.mod. cycle 6 TimeTaking 154.23