null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:54:10 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: ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.ins Phases from ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.phi Native data from ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.hkl Listing output to ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.lst Phases output to ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.phs Poly-Ala trace output to ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 34461 Reflections read from file ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.phi 34461 Reflections read from file ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.hkl 34461 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by 0.000150h^2 +0.000150k^2 -0.000011l^2 +0.000000kl +0.000000hl +0.000150hk 96 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 256 x 256 x 87 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.728 = 0.300, Contrast = 0.465, Connect. = 0.741 for dens.mod. cycle 1 = 0.300, Contrast = 0.539, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 0.624, Connect. = 0.776 for dens.mod. cycle 3 = 0.300, Contrast = 0.644, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.656, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.663, Connect. = 0.789 for dens.mod. cycle 6 = 0.300, Contrast = 0.668, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.672, Connect. = 0.792 for dens.mod. cycle 8 = 0.300, Contrast = 0.674, Connect. = 0.793 for dens.mod. cycle 9 = 0.300, Contrast = 0.676, Connect. = 0.793 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2436 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 577 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 42.374 1.997 0.867 0.931 1.000 0.759 CB 1.474 B: 30 39.735 1.990 0.714 0.931 1.000 0.793 CA 1.512 30 residues pruned to eliminate duplicates C: 28 30.403 1.896 0.573 0.903 1.000 0.778 CB 1.399 D: 17 34.480 2.091 1.168 0.914 0.938 0.812 CB 1.435 E: 35 46.496 2.047 0.828 0.953 1.000 0.853 CB 1.466 F: 35 38.733 1.933 0.638 0.943 1.000 0.794 CA 1.454 18 residues pruned to eliminate duplicates G: 16 32.465 2.065 1.117 0.917 1.000 0.733 CA 1.353 16 residues pruned to eliminate duplicates H: 31 53.631 2.037 1.242 0.930 1.000 0.733 CA 1.500 I: 25 38.380 1.982 0.961 0.955 1.000 0.750 CB 1.385 23 residues pruned to eliminate duplicates J: 30 46.948 2.060 1.066 0.948 0.966 0.828 CB 1.465 K: 29 43.358 2.020 1.018 0.910 0.964 0.786 CB 1.478 29 residues pruned to eliminate duplicates L: 43 44.714 2.034 0.946 0.750 0.952 0.714 CA 1.465 43 residues pruned to eliminate duplicates M: 30 53.382 2.073 1.189 0.952 1.000 0.897 CA 1.505 30 residues pruned to eliminate duplicates N: 30 43.315 2.014 0.996 0.919 0.966 0.690 CB 1.461 29 residues pruned to eliminate duplicates O: 35 37.328 1.868 0.853 0.904 0.971 0.824 CB 1.357 36 residues pruned to eliminate duplicates P: 29 49.583 2.089 1.039 0.951 1.000 0.857 CB 1.515 30 residues pruned to eliminate duplicates Q: 37 34.033 1.822 0.721 0.929 0.972 0.861 CB 1.302 R: 20 27.869 1.975 0.611 0.858 1.000 0.789 CA 1.479 20 residues pruned to eliminate duplicates S: 30 50.122 2.083 1.130 0.933 1.000 0.862 CA 1.464 31 residues pruned to eliminate duplicates T: 30 50.558 2.073 1.183 0.943 1.000 0.897 CA 1.438 30 residues pruned to eliminate duplicates U: 36 37.203 1.834 0.778 0.938 1.000 0.829 CB 1.341 36 residues pruned to eliminate duplicates V: 34 37.790 1.957 0.670 0.950 1.000 0.758 CB 1.388 34 residues pruned to eliminate duplicates W: 36 45.333 2.036 0.966 0.939 0.914 0.800 CB 1.455 37 residues pruned to eliminate duplicates X: 27 42.749 1.943 1.129 0.927 0.962 0.808 CA 1.477 Y: 30 50.800 2.054 1.147 0.944 1.000 0.690 CA 1.481 30 residues pruned to eliminate duplicates Z: 30 47.600 2.083 1.024 0.939 1.000 0.931 CA 1.457 30 residues pruned to eliminate duplicates Z: 30 45.838 2.022 0.984 0.950 1.000 1.000 CB 1.463 30 residues pruned to eliminate duplicates Z: 37 49.431 1.941 1.163 0.941 0.972 0.833 CA 1.400 Z: 30 34.161 1.985 0.520 0.935 1.000 0.862 CA 1.465 30 residues pruned to eliminate duplicates Z: 33 28.737 1.947 0.364 0.939 0.969 0.906 CA 1.372 33 residues pruned to eliminate duplicates Z: 37 35.997 1.796 1.092 0.928 0.944 0.694 CB 1.183 37 residues pruned to eliminate duplicates Z: 38 46.779 1.973 1.097 0.942 0.946 0.514 CB 1.362 36 residues pruned to eliminate duplicates Z: 20 37.346 2.004 1.012 0.895 1.000 0.684 CA 1.523 19 residues pruned to eliminate duplicates Z: 27 39.811 1.946 0.935 0.935 1.000 0.885 CA 1.445 27 residues pruned to eliminate duplicates Z: 30 43.711 2.013 1.028 0.952 1.000 0.793 CB 1.369 30 residues pruned to eliminate duplicates Z: 35 37.143 1.820 0.847 0.943 1.000 0.794 CB 1.313 35 residues pruned to eliminate duplicates Z: 29 39.766 2.064 0.719 0.943 1.000 0.929 CB 1.469 29 residues pruned to eliminate duplicates Z: 29 41.081 2.011 0.869 0.909 0.964 0.821 CA 1.521 29 residues pruned to eliminate duplicates Z: 21 29.358 1.927 0.833 0.846 0.950 0.800 CA 1.454 21 residues pruned to eliminate duplicates Z: 29 58.823 2.098 1.348 0.963 1.000 0.857 CB 1.543 30 residues pruned to eliminate duplicates Z: 19 23.093 1.951 0.723 0.855 0.889 0.778 CB 1.345 19 residues pruned to eliminate duplicates Z: 30 56.092 2.077 1.308 0.947 1.000 0.793 CB 1.501 30 residues pruned to eliminate duplicates Z: 29 36.546 2.030 0.574 0.921 1.000 0.893 CB 1.522 29 residues pruned to eliminate duplicates Z: 37 44.816 1.989 0.952 0.918 0.944 0.722 CA 1.436 37 residues pruned to eliminate duplicates Z: 29 46.715 2.033 1.051 0.931 1.000 0.786 CB 1.479 31 residues pruned to eliminate duplicates Z: 32 36.012 1.918 0.746 0.870 0.968 0.742 CB 1.456 31 residues pruned to eliminate duplicates Z: 38 46.835 1.870 1.052 0.936 1.000 0.649 CB 1.397 38 residues pruned to eliminate duplicates Z: 27 38.927 1.934 0.907 0.945 0.962 0.769 CA 1.490 27 residues pruned to eliminate duplicates Z: 30 42.767 2.015 1.023 0.923 0.931 0.690 CB 1.470 30 residues pruned to eliminate duplicates Z: 19 27.463 1.827 1.067 0.913 0.944 0.889 CB 1.284 Z: 38 46.867 1.871 1.095 0.914 0.973 0.676 CA 1.429 37 residues pruned to eliminate duplicates Z: 37 48.720 1.988 1.225 0.945 0.917 0.639 CB 1.385 38 residues pruned to eliminate duplicates Z: 27 26.435 1.780 0.779 0.900 0.962 0.615 CB 1.216 21 residues pruned to eliminate duplicates Z: 29 50.021 2.080 1.058 0.953 1.000 0.786 CB 1.520 29 residues pruned to eliminate duplicates Z: 28 28.174 1.914 0.477 0.919 0.963 0.852 CB 1.403 28 residues pruned to eliminate duplicates Z: 34 44.624 1.972 0.908 0.946 1.000 0.667 CB 1.428 33 residues pruned to eliminate duplicates Z: 34 41.538 1.975 0.869 0.948 1.000 0.818 CB 1.353 34 residues pruned to eliminate duplicates Z: 22 31.868 2.082 0.652 0.949 1.000 0.857 CA 1.395 22 residues pruned to eliminate duplicates Z: 30 49.536 2.073 1.057 0.954 1.000 0.897 CB 1.484 29 residues pruned to eliminate duplicates Z: 29 35.629 1.785 1.022 0.949 1.000 0.714 CB 1.287 Z: 30 39.192 1.982 0.892 0.876 0.931 0.828 CB 1.515 30 residues pruned to eliminate duplicates Z: 30 35.238 1.996 0.491 0.935 1.000 0.966 CA 1.531 30 residues pruned to eliminate duplicates Z: 29 29.116 1.828 0.475 0.924 1.000 0.929 CB 1.433 Z: 23 31.709 2.103 0.480 0.926 1.000 0.955 CA 1.523 23 residues pruned to eliminate duplicates Z: 30 48.091 2.077 1.018 0.947 1.000 0.931 CA 1.472 30 residues pruned to eliminate duplicates Z: 28 27.832 1.825 0.422 0.943 1.000 0.926 CB 1.430 28 residues pruned to eliminate duplicates Z: 29 44.061 2.063 0.871 0.949 1.000 0.857 CB 1.490 29 residues pruned to eliminate duplicates Z: 25 28.773 1.884 0.564 0.955 1.000 0.917 CA 1.370 25 residues pruned to eliminate duplicates Z: 22 33.955 2.079 0.855 0.934 1.000 0.857 CB 1.340 23 residues pruned to eliminate duplicates Z: 29 46.540 2.075 0.991 0.956 1.000 0.857 CB 1.462 29 residues pruned to eliminate duplicates Z: 29 25.856 1.804 0.339 0.940 1.000 0.964 CA 1.405 29 residues pruned to eliminate duplicates Z: 16 23.163 1.760 0.912 0.919 0.933 0.733 CB 1.342 16 residues pruned to eliminate duplicates Z: 26 37.040 1.953 0.880 0.924 1.000 0.920 CA 1.417 26 residues pruned to eliminate duplicates Z: 18 24.458 1.996 0.556 0.938 1.000 1.000 CB 1.328 18 residues pruned to eliminate duplicates Z: 37 45.779 1.944 0.978 0.930 1.000 0.861 CA 1.388 37 residues pruned to eliminate duplicates Z: 24 25.518 1.828 0.441 0.951 1.000 1.000 CB 1.392 24 residues pruned to eliminate duplicates Z: 29 42.012 2.001 0.947 0.937 1.000 0.714 CB 1.419 29 residues pruned to eliminate duplicates Z: 21 30.150 2.020 0.745 0.897 0.950 0.800 CB 1.441 21 residues pruned to eliminate duplicates Z: 30 50.079 2.064 1.141 0.947 0.966 0.793 CA 1.506 30 residues pruned to eliminate duplicates Z: 30 55.748 2.067 1.196 0.951 1.000 0.759 CB 1.572 30 residues pruned to eliminate duplicates Z: 21 24.062 1.907 0.927 0.846 0.850 0.650 CA 1.280 21 residues pruned to eliminate duplicates Z: 37 34.243 1.783 0.869 0.938 0.972 0.667 CB 1.225 25 residues pruned to eliminate duplicates Z: 37 52.116 1.978 1.209 0.940 0.972 0.528 CB 1.420 37 residues pruned to eliminate duplicates Z: 35 49.302 2.054 1.070 0.951 0.971 0.647 CB 1.412 35 residues pruned to eliminate duplicates Z: 23 24.367 2.019 0.334 0.923 1.000 0.909 CB 1.355 23 residues pruned to eliminate duplicates Z: 36 37.025 1.817 0.856 0.936 0.971 0.657 CB 1.330 36 residues pruned to eliminate duplicates Z: 21 31.905 1.992 0.802 0.888 1.000 0.900 CB 1.432 21 residues pruned to eliminate duplicates Z: 27 29.502 1.878 0.701 0.934 1.000 0.808 CB 1.263 29 residues pruned to eliminate duplicates Z: 30 46.320 2.079 1.034 0.937 1.000 0.966 CA 1.416 30 residues pruned to eliminate duplicates Z: 22 30.829 1.942 0.949 0.779 0.952 0.857 CA 1.459 22 residues pruned to eliminate duplicates Z: 30 38.656 1.990 0.760 0.913 0.966 0.793 CA 1.502 30 residues pruned to eliminate duplicates Z: 35 38.064 2.007 0.712 0.938 0.941 0.676 CB 1.404 35 residues pruned to eliminate duplicates Z: 36 51.201 2.028 1.289 0.942 0.971 0.571 CB 1.331 36 residues pruned to eliminate duplicates Z: 37 43.755 1.928 0.885 0.920 1.000 0.833 CA 1.413 37 residues pruned to eliminate duplicates Z: 20 32.391 1.860 0.969 0.876 1.000 0.842 CB 1.475 Z: 36 43.036 1.963 0.871 0.940 0.971 0.600 CB 1.416 36 residues pruned to eliminate duplicates Z: 20 31.359 1.843 0.937 0.892 1.000 0.842 CB 1.448 20 residues pruned to eliminate duplicates Z: 31 43.757 1.967 1.173 0.917 1.000 0.733 CB 1.319 30 residues pruned to eliminate duplicates Z: 27 31.699 2.010 0.515 0.955 1.000 0.923 CA 1.402 27 residues pruned to eliminate duplicates Z: 28 32.083 1.805 0.700 0.953 1.000 1.000 CB 1.385 28 residues pruned to eliminate duplicates Z: 30 37.708 2.014 0.610 0.950 1.000 0.931 CA 1.489 30 residues pruned to eliminate duplicates Z: 32 29.818 1.964 0.912 0.899 0.871 0.548 CB 1.170 32 residues pruned to eliminate duplicates Z: 30 52.768 2.079 1.168 0.942 1.000 0.759 CA 1.508 30 residues pruned to eliminate duplicates Z: 37 40.250 1.930 0.892 0.916 0.944 0.806 CA 1.373 37 residues pruned to eliminate duplicates Z: 37 45.965 1.930 0.985 0.926 1.000 0.833 CA 1.403 37 residues pruned to eliminate duplicates Z: 35 36.628 1.838 0.848 0.935 1.000 0.765 CB 1.288 35 residues pruned to eliminate duplicates Z: 18 21.934 1.894 0.507 0.839 1.000 0.765 CA 1.392 18 residues pruned to eliminate duplicates Z: 30 42.973 2.064 0.790 0.949 1.000 0.897 CB 1.491 30 residues pruned to eliminate duplicates Z: 29 48.380 2.088 1.001 0.954 1.000 0.893 CB 1.505 29 residues pruned to eliminate duplicates Z: 33 37.444 1.965 0.604 0.946 1.000 0.938 CA 1.452 33 residues pruned to eliminate duplicates Z: 25 27.920 1.836 0.753 0.914 1.000 0.917 CB 1.252 25 residues pruned to eliminate duplicates Z: 37 36.026 1.955 0.621 0.940 0.972 0.750 CA 1.353 37 residues pruned to eliminate duplicates Z: 30 49.921 2.053 1.127 0.939 1.000 0.690 CA 1.475 30 residues pruned to eliminate duplicates Z: 38 37.039 1.944 0.768 0.888 0.973 0.892 CA 1.312 38 residues pruned to eliminate duplicates Z: 29 43.827 2.071 0.819 0.942 1.000 0.857 CA 1.525 29 residues pruned to eliminate duplicates Z: 27 34.881 1.915 0.707 0.929 1.000 0.885 CB 1.465 28 residues pruned to eliminate duplicates Z: 24 29.228 1.827 0.802 0.917 1.000 0.783 CB 1.306 24 residues pruned to eliminate duplicates Z: 31 43.126 1.969 1.230 0.923 0.967 0.600 CB 1.304 31 residues pruned to eliminate duplicates Z: 30 47.679 2.080 1.027 0.942 1.000 0.862 CA 1.457 30 residues pruned to eliminate duplicates Z: 30 45.188 2.012 1.275 0.905 0.931 0.655 CB 1.402 30 residues pruned to eliminate duplicates Z: 26 27.681 1.788 0.743 0.920 0.960 0.840 CA 1.302 Z: 30 48.619 2.067 1.044 0.939 1.000 0.897 CA 1.485 30 residues pruned to eliminate duplicates Z: 30 51.785 2.063 1.097 0.949 1.000 0.897 CA 1.534 30 residues pruned to eliminate duplicates Z: 30 30.843 1.772 0.764 0.930 0.966 0.828 CB 1.327 30 residues pruned to eliminate duplicates Z: 27 39.986 1.941 0.909 0.927 1.000 0.731 CA 1.483 27 residues pruned to eliminate duplicates Z: 29 30.760 1.799 0.674 0.938 1.000 0.893 CB 1.342 29 residues pruned to eliminate duplicates Z: 30 32.333 1.770 0.784 0.923 1.000 0.828 CB 1.336 30 residues pruned to eliminate duplicates Z: 33 43.890 1.997 1.029 0.951 1.000 0.750 CB 1.320 33 residues pruned to eliminate duplicates Z: 30 50.788 2.092 1.102 0.919 1.000 0.828 CA 1.512 30 residues pruned to eliminate duplicates Z: 29 38.477 1.903 1.017 0.919 1.000 0.750 CA 1.335 29 residues pruned to eliminate duplicates Z: 31 32.331 1.927 0.573 0.900 1.000 0.933 CA 1.390 31 residues pruned to eliminate duplicates Z: 36 32.362 1.780 0.882 0.934 0.943 0.714 CB 1.208 36 residues pruned to eliminate duplicates Z: 29 34.864 1.808 0.817 0.939 1.000 0.929 CB 1.394 30 residues pruned to eliminate duplicates Z: 30 53.643 2.074 1.220 0.949 1.000 0.828 CB 1.493 30 residues pruned to eliminate duplicates Z: 29 30.811 1.864 0.727 0.910 1.000 0.786 CA 1.283 29 residues pruned to eliminate duplicates Z: 27 26.066 1.770 0.561 0.929 1.000 0.923 CB 1.294 20 residues pruned to eliminate duplicates Z: 30 42.941 2.021 0.856 0.929 1.000 0.828 CB 1.487 30 residues pruned to eliminate duplicates Z: 37 40.259 1.824 0.980 0.932 1.000 0.833 CB 1.298 37 residues pruned to eliminate duplicates Z: 30 41.166 1.965 0.954 0.894 1.000 0.724 CB 1.428 31 residues pruned to eliminate duplicates Z: 30 36.750 1.972 0.639 0.929 1.000 0.931 CA 1.478 31 residues pruned to eliminate duplicates Z: 37 48.516 1.891 1.163 0.932 0.972 0.750 CA 1.420 37 residues pruned to eliminate duplicates Z: 31 33.953 1.989 0.693 0.932 0.967 0.933 CA 1.329 31 residues pruned to eliminate duplicates Z: 37 44.874 1.915 0.998 0.931 1.000 0.917 CA 1.366 37 residues pruned to eliminate duplicates Z: 36 30.062 1.814 0.581 0.921 0.943 0.829 CB 1.323 36 residues pruned to eliminate duplicates Z: 20 31.651 1.972 0.973 0.931 1.000 0.737 CB 1.304 20 residues pruned to eliminate duplicates Z: 12 23.191 1.961 0.783 0.926 1.000 0.818 CA 1.402 12 residues pruned to eliminate duplicates Z: 31 41.447 1.952 1.347 0.893 0.933 0.400 CB 1.271 31 residues pruned to eliminate duplicates Z: 23 21.415 1.731 0.595 0.882 0.909 0.909 CB 1.317 Z: 37 46.425 1.970 0.952 0.948 1.000 0.972 CA 1.389 37 residues pruned to eliminate duplicates Z: 37 32.484 1.795 0.831 0.931 0.944 0.528 CB 1.219 37 residues pruned to eliminate duplicates Z: 22 21.998 1.721 0.820 0.832 0.905 0.667 CB 1.271 22 residues pruned to eliminate duplicates Z: 37 39.329 1.955 0.725 0.922 0.972 0.861 CA 1.406 37 residues pruned to eliminate duplicates Z: 36 40.524 1.797 1.044 0.943 0.971 0.771 CB 1.329 37 residues pruned to eliminate duplicates Z: 27 20.654 1.814 0.706 0.685 0.923 0.692 CB 1.196 27 residues pruned to eliminate duplicates Z: 28 32.754 1.809 0.855 0.926 1.000 0.852 CB 1.318 29 residues pruned to eliminate duplicates Z: 14 22.161 1.798 0.687 0.941 1.000 0.923 CA 1.407 14 residues pruned to eliminate duplicates Z: 28 36.487 1.826 1.012 0.897 0.963 0.667 CB 1.421 28 residues pruned to eliminate duplicates Z: 35 33.999 1.837 0.752 0.948 1.000 0.912 CB 1.252 35 residues pruned to eliminate duplicates Z: 35 38.654 1.855 0.884 0.950 1.000 0.735 CB 1.308 35 residues pruned to eliminate duplicates Z: 31 21.696 1.553 0.648 0.901 0.933 0.700 CB 1.184 24 residues pruned to eliminate duplicates Z: 31 43.615 1.990 0.933 0.931 1.000 0.767 CB 1.447 31 residues pruned to eliminate duplicates Z: 37 44.561 1.937 0.956 0.923 1.000 0.917 CA 1.378 37 residues pruned to eliminate duplicates Z: 22 33.486 2.070 0.755 0.934 1.000 0.810 CA 1.403 22 residues pruned to eliminate duplicates Z: 31 35.967 1.949 0.750 0.874 0.933 0.833 CA 1.501 31 residues pruned to eliminate duplicates Z: 22 28.502 1.868 0.878 0.942 1.000 0.714 CB 1.229 22 residues pruned to eliminate duplicates Z: 64 54.075 1.982 0.837 0.825 0.984 0.825 CA 1.435 60 residues pruned to eliminate duplicates Z: 37 48.915 1.922 1.053 0.935 1.000 0.778 CA 1.440 37 residues pruned to eliminate duplicates Z: 23 26.000 1.873 0.643 0.887 1.000 0.864 CB 1.299 23 residues pruned to eliminate duplicates Z: 37 44.923 1.934 0.921 0.929 1.000 0.778 CA 1.410 37 residues pruned to eliminate duplicates Z: 7 7.580 1.782 0.303 0.653 0.833 0.500 CB 1.387 7 residues pruned to eliminate duplicates Z: 26 28.351 1.816 0.629 0.921 1.000 0.920 CB 1.349 27 residues pruned to eliminate duplicates Z: 34 41.329 2.018 0.881 0.934 0.939 0.636 CB 1.407 34 residues pruned to eliminate duplicates Z: 29 29.787 1.812 0.525 0.951 1.000 0.964 CB 1.404 29 residues pruned to eliminate duplicates Z: 29 24.302 1.711 0.408 0.923 1.000 0.929 CB 1.339 29 residues pruned to eliminate duplicates Z: 26 28.608 1.810 0.864 0.923 1.000 0.600 CB 1.192 26 residues pruned to eliminate duplicates Z: 25 25.079 1.809 0.698 0.920 0.958 0.833 CA 1.225 25 residues pruned to eliminate duplicates Z: 37 36.847 1.825 0.829 0.942 1.000 0.806 CB 1.276 37 residues pruned to eliminate duplicates Z: 26 18.880 1.562 0.589 0.940 1.000 0.880 CB 1.056 Z: 30 39.113 2.024 0.673 0.954 1.000 1.000 CA 1.475 30 residues pruned to eliminate duplicates Z: 37 41.874 1.930 0.903 0.921 1.000 0.917 CA 1.337 37 residues pruned to eliminate duplicates Z: 20 22.506 1.779 0.835 0.954 0.947 0.737 CB 1.148 20 residues pruned to eliminate duplicates Z: 34 33.568 1.969 0.476 0.939 1.000 0.970 CA 1.398 33 residues pruned to eliminate duplicates Z: 37 41.539 1.942 0.848 0.916 1.000 0.917 CA 1.362 37 residues pruned to eliminate duplicates Z: 28 31.957 1.813 0.672 0.928 1.000 0.926 CA 1.421 28 residues pruned to eliminate duplicates Z: 28 34.330 1.824 0.859 0.942 1.000 0.926 CB 1.352 28 residues pruned to eliminate duplicates Z: 29 47.849 2.076 1.023 0.958 1.000 0.893 CB 1.477 29 residues pruned to eliminate duplicates Z: 33 28.892 1.898 0.419 0.935 0.969 0.938 CA 1.364 33 residues pruned to eliminate duplicates Z: 27 29.814 1.806 0.838 0.943 0.962 0.577 CB 1.269 27 residues pruned to eliminate duplicates Z: 30 38.933 2.001 0.684 0.934 1.000 0.897 CB 1.495 30 residues pruned to eliminate duplicates Z: 36 50.179 1.945 1.114 0.937 1.000 0.829 CB 1.435 38 residues pruned to eliminate duplicates Z: 25 29.507 1.819 0.814 0.939 1.000 0.792 CA 1.269 25 residues pruned to eliminate duplicates Z: 31 23.548 1.608 0.619 0.928 0.967 0.833 CB 1.197 30 residues pruned to eliminate duplicates Z: 20 22.909 1.679 0.728 0.932 1.000 0.632 CB 1.265 20 residues pruned to eliminate duplicates Z: 56 61.458 2.038 1.019 0.867 0.964 0.891 CA 1.529 57 residues pruned to eliminate duplicates Z: 37 43.674 1.943 0.907 0.916 1.000 0.833 CA 1.387 37 residues pruned to eliminate duplicates Z: 29 26.703 1.792 0.405 0.954 1.000 0.964 CB 1.378 29 residues pruned to eliminate duplicates Z: 24 33.221 2.002 0.586 0.927 1.000 0.826 CB 1.530 24 residues pruned to eliminate duplicates Z: 24 27.960 1.936 0.607 0.928 1.000 0.913 CB 1.313 24 residues pruned to eliminate duplicates Z: 29 37.481 1.891 1.033 0.882 1.000 0.536 CB 1.334 27 residues pruned to eliminate duplicates Z: 38 30.011 1.766 0.646 0.907 0.946 0.919 CB 1.275 38 residues pruned to eliminate duplicates Z: 29 29.698 1.761 0.646 0.934 1.000 0.679 CB 1.350 29 residues pruned to eliminate duplicates Z: 24 24.737 1.793 0.701 0.925 0.957 0.870 CA 1.241 24 residues pruned to eliminate duplicates Z: 27 32.607 1.961 0.702 0.934 1.000 1.000 CA 1.336 27 residues pruned to eliminate duplicates Z: 13 17.791 1.827 0.855 0.898 1.000 0.833 CB 1.084 13 residues pruned to eliminate duplicates Z: 29 26.382 1.812 0.610 0.906 0.929 0.750 CA 1.309 29 residues pruned to eliminate duplicates Z: 30 35.307 1.950 0.606 0.933 1.000 0.931 CA 1.461 30 residues pruned to eliminate duplicates Z: 37 49.028 1.923 1.098 0.933 0.972 0.639 CB 1.454 37 residues pruned to eliminate duplicates Z: 29 29.493 1.809 0.548 0.935 1.000 0.929 CB 1.387 29 residues pruned to eliminate duplicates Z: 24 20.058 1.610 0.970 0.878 0.913 0.652 CB 1.048 24 residues pruned to eliminate duplicates Z: 34 39.840 1.930 0.989 0.951 0.970 0.515 CB 1.284 34 residues pruned to eliminate duplicates Z: 36 37.118 1.797 1.011 0.923 0.971 0.800 CB 1.256 36 residues pruned to eliminate duplicates Z: 30 54.789 2.088 1.241 0.943 1.000 0.897 CA 1.507 30 residues pruned to eliminate duplicates Z: 36 37.145 1.827 1.004 0.941 0.971 0.543 CB 1.225 35 residues pruned to eliminate duplicates Z: 35 38.262 1.858 1.004 0.953 0.971 0.647 CB 1.250 34 residues pruned to eliminate duplicates Z: 29 43.077 2.081 0.710 0.954 1.000 0.964 CB 1.573 29 residues pruned to eliminate duplicates Z: 27 29.315 1.789 0.787 0.907 0.962 0.885 CB 1.330 27 residues pruned to eliminate duplicates Z: 33 41.299 1.981 0.863 0.962 1.000 0.750 CB 1.353 33 residues pruned to eliminate duplicates Z: 36 31.076 1.971 0.500 0.938 1.000 0.886 CA 1.236 36 residues pruned to eliminate duplicates Z: 17 17.656 1.835 0.628 0.876 0.875 0.750 CB 1.227 17 residues pruned to eliminate duplicates Z: 27 33.484 1.932 0.765 0.918 1.000 0.769 CA 1.358 27 residues pruned to eliminate duplicates Z: 42 41.967 1.877 0.932 0.856 0.951 0.780 CA 1.401 42 residues pruned to eliminate duplicates Z: 36 36.437 1.785 1.062 0.948 0.914 0.629 CB 1.264 36 residues pruned to eliminate duplicates Z: 25 31.191 1.828 0.929 0.919 1.000 0.875 CB 1.273 25 residues pruned to eliminate duplicates Z: 34 41.685 1.978 0.843 0.960 1.000 0.848 CB 1.364 34 residues pruned to eliminate duplicates Z: 25 26.859 1.810 0.648 0.903 1.000 0.792 CB 1.309 25 residues pruned to eliminate duplicates Z: 31 21.397 1.567 0.606 0.887 0.933 0.733 CB 1.199 31 residues pruned to eliminate duplicates Z: 25 24.485 1.799 0.645 0.912 0.958 0.875 CA 1.248 25 residues pruned to eliminate duplicates Z: 36 36.288 1.811 0.846 0.945 0.971 0.714 CB 1.307 36 residues pruned to eliminate duplicates Z: 27 33.001 1.955 0.772 0.916 1.000 0.808 CA 1.319 27 residues pruned to eliminate duplicates Z: 29 29.209 1.792 0.582 0.929 1.000 0.821 CB 1.362 29 residues pruned to eliminate duplicates Z: 37 50.453 1.954 1.109 0.949 1.000 0.833 CA 1.409 37 residues pruned to eliminate duplicates Z: 37 36.320 1.764 1.083 0.946 0.972 0.417 CB 1.172 37 residues pruned to eliminate duplicates Z: 29 29.860 1.773 0.742 0.904 1.000 0.679 CB 1.302 29 residues pruned to eliminate duplicates Z: 72 48.970 1.849 0.808 0.812 0.972 0.746 CB 1.364 72 residues pruned to eliminate duplicates Z: 29 36.542 1.805 0.947 0.933 1.000 0.857 CB 1.372 29 residues pruned to eliminate duplicates Z: 23 22.696 1.821 0.446 0.891 1.000 0.864 CB 1.321 23 residues pruned to eliminate duplicates Z: 25 31.987 1.961 0.917 0.906 0.958 0.583 CB 1.290 25 residues pruned to eliminate duplicates Z: 35 30.946 1.848 0.515 0.943 0.971 0.882 CB 1.353 35 residues pruned to eliminate duplicates Z: 37 51.167 1.933 1.084 0.938 1.000 0.778 CA 1.472 37 residues pruned to eliminate duplicates Z: 28 24.690 1.986 0.688 0.677 0.889 0.741 CA 1.355 24 residues pruned to eliminate duplicates Z: 28 34.602 1.952 0.824 0.915 0.963 0.778 CA 1.372 28 residues pruned to eliminate duplicates Z: 30 45.398 1.988 1.350 0.903 0.931 0.690 CB 1.382 30 residues pruned to eliminate duplicates Z: 28 36.319 1.924 0.809 0.910 1.000 0.667 CA 1.424 28 residues pruned to eliminate duplicates Z: 14 9.253 1.409 0.306 0.906 1.000 0.923 CB 0.991 Z: 16 32.279 1.952 1.080 0.944 1.000 0.800 CB 1.422 16 residues pruned to eliminate duplicates Z: 36 37.135 1.815 0.905 0.922 0.971 0.714 CB 1.315 36 residues pruned to eliminate duplicates Z: 30 51.492 2.082 1.089 0.946 1.000 0.966 CA 1.520 30 residues pruned to eliminate duplicates Z: 37 34.116 1.789 0.757 0.900 1.000 0.750 CB 1.292 37 residues pruned to eliminate duplicates Z: 30 20.732 1.602 0.688 0.883 0.897 0.586 CB 1.148 30 residues pruned to eliminate duplicates Z: 7 9.151 1.607 0.717 0.763 1.000 0.833 CB 1.073 7 residues pruned to eliminate duplicates Z: 30 28.157 1.730 0.617 0.903 1.000 0.759 CB 1.332 29 residues pruned to eliminate duplicates Z: 29 35.252 1.788 0.993 0.946 1.000 0.821 CB 1.294 28 residues pruned to eliminate duplicates Z: 25 33.948 1.811 1.102 0.924 0.958 0.750 CB 1.334 26 residues pruned to eliminate duplicates Z: 22 37.563 1.901 1.355 0.893 0.952 0.619 CB 1.379 22 residues pruned to eliminate duplicates Z: 9 13.357 1.891 0.763 0.829 0.750 0.625 CB 1.422 9 residues pruned to eliminate duplicates Z: 8 11.470 1.601 1.137 0.654 0.857 0.429 CB 1.281 8 residues pruned to eliminate duplicates Z: 29 42.351 1.980 1.017 0.907 1.000 0.786 CB 1.424 29 residues pruned to eliminate duplicates Z: 22 21.865 1.723 0.492 0.884 1.000 0.810 CB 1.341 22 residues pruned to eliminate duplicates Z: 36 34.389 1.824 0.713 0.896 1.000 0.771 CB 1.333 36 residues pruned to eliminate duplicates Z: 36 52.237 2.013 1.301 0.943 0.943 0.543 CB 1.401 36 residues pruned to eliminate duplicates Z: 25 31.478 1.785 0.966 0.940 0.958 0.833 CA 1.327 25 residues pruned to eliminate duplicates Z: 37 32.410 1.942 0.568 0.931 0.972 0.917 CA 1.275 37 residues pruned to eliminate duplicates Z: 30 45.187 2.069 0.989 0.941 1.000 0.966 CA 1.415 30 residues pruned to eliminate duplicates Z: 27 29.014 1.903 0.744 0.899 1.000 0.692 CB 1.225 27 residues pruned to eliminate duplicates Z: 24 24.179 1.774 0.634 0.939 0.957 0.913 CA 1.263 24 residues pruned to eliminate duplicates Z: 31 38.142 1.965 0.812 0.948 1.000 0.700 CB 1.350 31 residues pruned to eliminate duplicates Z: 25 20.452 1.585 0.702 0.910 1.000 0.667 CB 1.097 26 residues pruned to eliminate duplicates Z: 28 36.000 1.824 0.871 0.927 1.000 0.926 CA 1.422 28 residues pruned to eliminate duplicates Z: 31 46.084 1.965 1.258 0.905 0.933 0.500 CB 1.445 31 residues pruned to eliminate duplicates Z: 28 31.229 1.789 0.781 0.913 1.000 0.852 CA 1.334 28 residues pruned to eliminate duplicates Z: 32 46.570 1.988 1.171 0.956 1.000 0.774 CB 1.331 33 residues pruned to eliminate duplicates Z: 13 12.122 1.713 0.928 0.861 0.833 0.667 CB 0.934 13 residues pruned to eliminate duplicates Z: 22 28.842 1.889 0.724 0.942 1.000 0.714 CB 1.340 22 residues pruned to eliminate duplicates Z: 22 27.726 1.941 0.729 0.825 1.000 0.857 CB 1.360 22 residues pruned to eliminate duplicates Z: 21 23.964 1.814 0.769 0.944 0.950 0.850 CB 1.218 21 residues pruned to eliminate duplicates Z: 28 25.621 1.776 0.742 0.849 0.889 0.704 CB 1.329 28 residues pruned to eliminate duplicates Z: 28 26.848 1.775 0.545 0.937 1.000 0.926 CA 1.312 28 residues pruned to eliminate duplicates Z: 28 28.464 1.773 0.555 0.923 1.000 0.889 CA 1.397 28 residues pruned to eliminate duplicates Z: 22 24.527 1.744 0.766 0.876 1.000 0.762 CB 1.263 22 residues pruned to eliminate duplicates Z: 24 24.115 1.790 0.726 0.908 0.957 0.870 CA 1.209 24 residues pruned to eliminate duplicates Z: 19 20.078 1.626 0.824 0.927 0.889 0.611 CB 1.258 19 residues pruned to eliminate duplicates Z: 36 50.028 1.990 1.328 0.920 0.943 0.571 CB 1.363 37 residues pruned to eliminate duplicates Z: 37 33.532 1.933 0.585 0.919 1.000 0.833 CA 1.286 37 residues pruned to eliminate duplicates Z: 30 56.571 2.063 1.306 0.955 1.000 0.862 CB 1.517 30 residues pruned to eliminate duplicates Z: 19 18.878 1.739 0.701 0.558 1.000 0.611 CB 1.422 17 residues pruned to eliminate duplicates Z: 36 33.146 1.967 0.546 0.937 0.971 0.829 CA 1.320 36 residues pruned to eliminate duplicates Z: 15 11.480 1.656 0.658 0.906 0.786 0.571 CB 1.011 15 residues pruned to eliminate duplicates Z: 36 32.086 1.896 0.451 0.947 1.000 0.914 CA 1.363 36 residues pruned to eliminate duplicates Z: 26 42.320 1.971 1.086 0.943 1.000 0.720 CA 1.427 27 residues pruned to eliminate duplicates Z: 28 33.087 1.919 0.601 0.924 1.000 1.000 CB 1.456 28 residues pruned to eliminate duplicates Z: 8 7.139 1.492 0.727 0.874 1.000 0.429 CB 0.762 Z: 22 18.691 1.756 0.299 0.893 1.000 0.810 CA 1.284 22 residues pruned to eliminate duplicates Z: 33 42.222 1.980 0.976 0.957 1.000 0.656 CB 1.309 33 residues pruned to eliminate duplicates Z: 29 31.115 1.751 0.809 0.913 1.000 0.821 CB 1.313 29 residues pruned to eliminate duplicates Z: 46 38.308 1.833 0.748 0.903 0.978 0.867 CA 1.299 46 residues pruned to eliminate duplicates Z: 23 41.013 2.051 1.184 0.920 0.955 0.591 CB 1.440 23 residues pruned to eliminate duplicates Z: 37 41.410 1.932 0.876 0.899 1.000 0.806 CA 1.361 37 residues pruned to eliminate duplicates Z: 20 20.365 1.680 0.726 0.928 1.000 0.579 CB 1.129 20 residues pruned to eliminate duplicates Z: 37 44.715 1.944 0.926 0.932 0.972 0.861 CA 1.429 37 residues pruned to eliminate duplicates Z: 25 30.972 2.052 0.652 0.924 0.958 0.917 CB 1.366 25 residues pruned to eliminate duplicates Z: 37 42.065 1.949 0.866 0.926 1.000 0.833 CA 1.352 37 residues pruned to eliminate duplicates Z: 32 30.571 1.878 0.912 0.751 0.903 0.710 CB 1.354 32 residues pruned to eliminate duplicates Z: 37 31.332 1.783 0.742 0.898 1.000 0.750 CB 1.203 37 residues pruned to eliminate duplicates Z: 28 30.692 1.825 0.899 0.929 0.963 0.593 CB 1.238 28 residues pruned to eliminate duplicates Z: 27 28.542 1.901 0.698 0.924 1.000 0.962 CA 1.217 27 residues pruned to eliminate duplicates Z: 31 16.808 1.390 0.526 0.880 0.967 0.667 CB 1.085 Z: 21 30.760 1.972 1.013 0.919 0.900 0.800 CA 1.357 21 residues pruned to eliminate duplicates Z: 24 27.824 1.774 0.824 0.937 1.000 0.826 CA 1.248 24 residues pruned to eliminate duplicates Z: 6 2.926 1.495 0.448 0.625 0.600 0.400 CB 0.895 Z: 29 33.924 1.801 0.802 0.926 1.000 0.821 CB 1.385 29 residues pruned to eliminate duplicates Z: 30 37.651 1.988 0.598 0.906 1.000 0.862 CB 1.566 30 residues pruned to eliminate duplicates Z: 37 44.219 1.972 1.038 0.921 0.944 0.639 CB 1.367 37 residues pruned to eliminate duplicates Z: 27 28.454 1.794 0.670 0.904 1.000 0.885 CB 1.327 26 residues pruned to eliminate duplicates Z: 21 24.405 1.740 0.812 0.905 0.950 0.800 CB 1.298 21 residues pruned to eliminate duplicates Z: 13 18.322 1.816 0.634 0.814 0.917 0.750 O 1.480 13 residues pruned to eliminate duplicates Z: 26 23.922 1.775 0.644 0.940 0.960 0.880 CA 1.187 25 residues pruned to eliminate duplicates Z: 6 6.079 1.587 0.907 0.879 1.000 0.800 CB 0.651 Z: 34 43.908 1.939 1.222 0.962 0.970 0.576 CB 1.252 33 residues pruned to eliminate duplicates Z: 27 28.452 1.897 0.501 0.933 1.000 0.846 CA 1.367 27 residues pruned to eliminate duplicates Z: 37 32.809 1.783 0.779 0.906 0.972 0.556 CB 1.261 37 residues pruned to eliminate duplicates Z: 32 42.395 2.009 0.950 0.963 0.968 0.806 CB 1.372 32 residues pruned to eliminate duplicates Z: 28 36.757 1.927 0.882 0.911 1.000 0.852 CA 1.382 28 residues pruned to eliminate duplicates Z: 10 11.508 1.586 0.582 0.902 0.889 0.889 CB 1.227 9 residues pruned to eliminate duplicates Z: 37 38.788 1.960 0.719 0.917 1.000 0.889 CA 1.354 37 residues pruned to eliminate duplicates Z: 51 47.806 1.899 0.875 0.863 1.000 0.780 CB 1.393 51 residues pruned to eliminate duplicates Z: 24 27.116 1.781 0.765 0.925 0.957 0.696 CA 1.320 24 residues pruned to eliminate duplicates Z: 14 12.257 1.501 0.805 0.909 1.000 0.769 CB 0.890 14 residues pruned to eliminate duplicates 6 1.865 1.466 -0.011 0.296 0.600 0.600 N 1.204 ? Z: 37 49.193 1.915 1.112 0.909 1.000 0.750 CA 1.439 37 residues pruned to eliminate duplicates Z: 20 13.852 1.534 0.708 0.909 0.947 0.684 CB 0.908 20 residues pruned to eliminate duplicates Z: 31 33.118 1.746 0.973 0.879 0.967 0.767 CB 1.316 31 residues pruned to eliminate duplicates Z: 29 52.008 2.074 1.202 0.942 1.000 0.893 CA 1.493 29 residues pruned to eliminate duplicates Z: 20 41.372 1.989 1.381 0.941 1.000 0.579 CB 1.391 22 residues pruned to eliminate duplicates Z: 29 34.754 1.882 0.813 0.902 1.000 0.714 CB 1.373 29 residues pruned to eliminate duplicates Z: 37 42.793 1.923 0.886 0.932 1.000 0.833 CA 1.373 37 residues pruned to eliminate duplicates Z: 28 28.778 1.812 0.575 0.918 1.000 0.889 CA 1.369 28 residues pruned to eliminate duplicates Z: 25 22.219 1.782 0.565 0.909 1.000 0.875 CA 1.154 25 residues pruned to eliminate duplicates Z: 27 40.727 1.970 0.969 0.918 1.000 0.885 CA 1.453 27 residues pruned to eliminate duplicates Z: 36 34.829 1.779 1.107 0.946 0.971 0.486 CB 1.118 36 residues pruned to eliminate duplicates Z: 27 31.726 1.798 1.132 0.919 0.962 0.385 CB 1.189 27 residues pruned to eliminate duplicates Z: 36 40.105 1.945 0.734 0.916 1.000 0.857 CA 1.419 36 residues pruned to eliminate duplicates Z: 16 13.368 1.471 0.599 0.898 1.000 0.867 CB 1.050 16 residues pruned to eliminate duplicates Z: 31 24.508 1.623 0.561 0.904 1.000 0.767 CB 1.258 31 residues pruned to eliminate duplicates Z: 31 35.943 1.928 0.791 0.887 0.967 0.667 CB 1.418 31 residues pruned to eliminate duplicates Z: 28 32.859 1.758 0.947 0.935 1.000 0.444 CB 1.288 28 residues pruned to eliminate duplicates Z: 9 9.563 1.682 0.836 0.837 1.000 0.875 CB 0.819 Z: 26 28.018 1.727 0.935 0.930 0.960 0.800 CA 1.221 27 residues pruned to eliminate duplicates Z: 53 36.729 1.796 0.636 0.809 0.962 0.788 CB 1.377 54 residues pruned to eliminate duplicates Z: 31 23.099 1.557 0.611 0.898 0.967 0.600 CB 1.244 31 residues pruned to eliminate duplicates Z: 37 34.482 1.822 0.773 0.917 1.000 0.889 CB 1.256 37 residues pruned to eliminate duplicates Z: 37 38.426 1.803 0.886 0.906 1.000 0.639 CB 1.340 37 residues pruned to eliminate duplicates Z: 15 9.120 1.661 0.717 0.516 0.857 0.571 CB 0.981 15 residues pruned to eliminate duplicates Z: 37 37.931 1.917 0.795 0.908 0.972 0.833 CA 1.341 37 residues pruned to eliminate duplicates Z: 28 35.864 1.890 0.988 0.890 0.926 0.667 CA 1.427 28 residues pruned to eliminate duplicates Z: 15 13.378 1.458 0.619 0.880 0.929 0.786 CB 1.182 14 residues pruned to eliminate duplicates Z: 36 35.667 1.967 0.921 0.906 0.857 0.543 CB 1.324 36 residues pruned to eliminate duplicates Z: 19 24.604 2.005 0.466 0.939 1.000 1.000 CA 1.371 19 residues pruned to eliminate duplicates Z: 39 32.563 1.801 0.871 0.832 0.974 0.684 CB 1.208 39 residues pruned to eliminate duplicates Z: 29 51.413 2.088 1.090 0.960 1.000 0.821 CB 1.525 29 residues pruned to eliminate duplicates Z: 38 34.774 1.881 0.576 0.921 1.000 0.892 CA 1.357 38 residues pruned to eliminate duplicates Z: 28 16.653 1.456 0.565 0.873 0.926 0.630 CB 1.106 22 residues pruned to eliminate duplicates Z: 32 26.103 1.564 0.647 0.927 1.000 0.839 CB 1.276 32 residues pruned to eliminate duplicates Z: 30 35.846 1.764 1.037 0.935 1.000 0.690 CB 1.291 29 residues pruned to eliminate duplicates Z: 36 45.136 1.931 0.959 0.909 0.971 0.743 CA 1.474 36 residues pruned to eliminate duplicates Z: 37 37.375 1.793 0.872 0.931 1.000 0.750 CB 1.296 37 residues pruned to eliminate duplicates Z: 25 29.150 1.800 0.783 0.936 1.000 0.958 CA 1.291 25 residues pruned to eliminate duplicates Z: 28 41.713 1.917 1.022 0.925 1.000 0.630 CA 1.454 27 residues pruned to eliminate duplicates Z: 38 50.608 1.895 1.113 0.935 1.000 0.838 CA 1.448 38 residues pruned to eliminate duplicates Z: 7 3.490 1.499 0.281 0.523 0.833 0.667 CB 0.870 Z: 29 26.424 1.823 0.732 0.891 0.964 0.821 CA 1.179 29 residues pruned to eliminate duplicates Z: 31 32.119 1.784 0.697 0.887 1.000 0.800 CB 1.396 31 residues pruned to eliminate duplicates Z: 22 36.359 1.998 1.332 0.944 1.000 0.762 CB 1.179 22 residues pruned to eliminate duplicates Z: 37 41.853 1.954 0.918 0.908 1.000 0.944 CA 1.322 37 residues pruned to eliminate duplicates Z: 30 52.382 2.058 1.146 0.946 1.000 0.759 CB 1.523 30 residues pruned to eliminate duplicates Z: 20 21.110 1.711 0.812 0.830 0.947 0.579 CB 1.240 20 residues pruned to eliminate duplicates Z: 35 33.885 1.810 1.079 0.951 0.941 0.500 CB 1.131 35 residues pruned to eliminate duplicates Z: 19 21.946 1.708 0.653 0.877 1.000 0.722 CB 1.330 19 residues pruned to eliminate duplicates Z: 15 12.110 1.844 0.115 0.846 1.000 0.857 CA 1.169 15 residues pruned to eliminate duplicates Z: 25 40.038 1.991 0.929 0.953 1.000 0.792 CA 1.464 25 residues pruned to eliminate duplicates Z: 28 34.000 1.804 1.177 0.940 0.963 0.704 CB 1.202 29 residues pruned to eliminate duplicates Z: 29 33.644 1.786 0.993 0.934 1.000 0.714 CB 1.246 29 residues pruned to eliminate duplicates Z: 27 36.356 1.828 0.919 0.942 1.000 0.885 CA 1.410 27 residues pruned to eliminate duplicates Z: 26 15.496 1.497 0.753 0.894 0.960 0.600 CB 0.883 26 residues pruned to eliminate duplicates Z: 23 18.763 1.856 0.847 0.628 0.864 0.545 CB 1.198 23 residues pruned to eliminate duplicates Z: 11 2.730 1.674 0.451 0.053 0.600 0.200 CB 1.072 Z: 7 7.729 1.591 1.027 0.885 1.000 0.833 CB 0.707 Z: 36 27.440 1.777 0.511 0.905 0.971 0.914 CB 1.265 36 residues pruned to eliminate duplicates Z: 29 32.664 1.779 0.948 0.940 1.000 0.607 CB 1.237 29 residues pruned to eliminate duplicates Z: 9 9.952 1.559 0.568 0.877 0.875 0.750 CA 1.195 9 residues pruned to eliminate duplicates Z: 28 38.547 1.824 1.054 0.959 1.000 0.963 CB 1.357 28 residues pruned to eliminate duplicates Z: 30 47.415 2.002 1.120 0.945 0.966 0.724 CB 1.487 30 residues pruned to eliminate duplicates Z: 40 30.642 1.858 0.917 0.756 0.923 0.667 CB 1.188 40 residues pruned to eliminate duplicates Z: 23 15.424 1.425 0.586 0.884 1.000 0.818 CB 1.052 23 residues pruned to eliminate duplicates Z: 6 2.837 1.262 0.674 0.371 0.800 0.400 C 0.861 Z: 6 3.892 1.465 0.864 0.492 0.600 0.400 CB 1.071 Z: 26 28.283 1.769 0.827 0.879 1.000 0.800 CB 1.268 26 residues pruned to eliminate duplicates Z: 34 27.971 1.780 1.027 0.914 0.848 0.485 CB 1.125 34 residues pruned to eliminate duplicates Z: 10 7.870 1.318 0.728 0.896 0.889 0.889 CB 0.929 10 residues pruned to eliminate duplicates Z: 18 36.319 2.104 1.231 0.874 1.000 0.824 CB 1.366 18 residues pruned to eliminate duplicates Z: 15 11.760 1.546 0.899 0.894 1.000 0.786 CB 0.768 15 residues pruned to eliminate duplicates Z: 7 2.326 1.446 0.740 0.426 0.500 0.333 CB 0.815 Z: 11 12.559 1.567 0.577 0.912 1.000 0.900 CB 1.138 11 residues pruned to eliminate duplicates Z: 8 3.509 1.374 0.120 0.637 1.000 0.714 CB 0.758 8 residues pruned to eliminate duplicates Z: 36 33.514 1.798 0.785 0.902 0.971 0.857 CB 1.296 36 residues pruned to eliminate duplicates Z: 33 41.471 1.889 0.951 0.958 1.000 0.812 CB 1.364 33 residues pruned to eliminate duplicates Z: 29 31.674 1.882 0.958 0.896 0.929 0.536 CB 1.253 29 residues pruned to eliminate duplicates Z: 37 33.957 1.822 0.679 0.918 1.000 0.833 CB 1.305 37 residues pruned to eliminate duplicates Z: 24 19.236 1.748 0.604 0.702 1.000 0.826 CA 1.191 20 residues pruned to eliminate duplicates Z: 27 23.333 1.742 0.639 0.900 0.923 0.731 CA 1.241 25 residues pruned to eliminate duplicates Z: 25 28.354 1.781 0.879 0.924 0.958 0.792 CA 1.266 27 residues pruned to eliminate duplicates Z: 28 21.509 1.537 0.637 0.926 0.963 0.704 CB 1.198 28 residues pruned to eliminate duplicates Z: 36 46.531 2.021 1.003 0.936 0.914 0.600 CB 1.479 36 residues pruned to eliminate duplicates Z: 28 15.490 1.436 0.340 0.910 0.963 0.852 CB 1.140 28 residues pruned to eliminate duplicates 6 1.163 1.452 0.571 0.258 0.800 0.600 CB 0.376 ? Z: 31 37.223 1.944 0.823 0.915 1.000 0.633 CB 1.356 31 residues pruned to eliminate duplicates Z: 30 57.172 2.070 1.307 0.953 1.000 0.862 CA 1.530 30 residues pruned to eliminate duplicates Z: 19 19.726 1.850 0.510 0.770 0.944 0.889 CA 1.388 19 residues pruned to eliminate duplicates Z: 6 3.104 1.438 0.401 0.459 0.800 0.600 CB 0.898 Z: 27 36.465 1.991 1.046 0.838 0.923 0.654 CB 1.420 27 residues pruned to eliminate duplicates Z: 15 10.080 1.516 0.796 0.542 0.786 0.571 CA 1.210 15 residues pruned to eliminate duplicates Z: 35 36.392 1.853 1.098 0.939 0.912 0.706 CB 1.224 35 residues pruned to eliminate duplicates Z: 45 30.742 1.710 0.917 0.756 0.932 0.636 CB 1.208 45 residues pruned to eliminate duplicates Z: 28 18.388 1.678 0.413 0.882 0.889 0.778 CA 1.215 28 residues pruned to eliminate duplicates Z: 9 5.299 1.816 0.138 0.407 0.750 0.375 CB 1.332 9 residues pruned to eliminate duplicates Z: 23 28.052 1.801 0.911 0.860 0.955 0.727 CB 1.338 23 residues pruned to eliminate duplicates Z: 23 17.757 1.594 0.682 0.719 0.955 0.727 CB 1.213 23 residues pruned to eliminate duplicates Z: 27 17.505 1.747 0.311 0.924 0.923 0.923 CA 1.140 25 residues pruned to eliminate duplicates Z: 9 3.979 1.536 0.222 0.313 0.875 0.750 CB 1.053 9 residues pruned to eliminate duplicates Z: 28 19.003 1.460 0.686 0.904 0.963 0.704 CB 1.099 28 residues pruned to eliminate duplicates Z: 33 28.957 1.793 1.020 0.912 0.844 0.656 CB 1.186 33 residues pruned to eliminate duplicates Z: 25 31.010 1.803 0.947 0.932 0.958 0.833 CA 1.314 27 residues pruned to eliminate duplicates Z: 18 26.352 1.901 0.842 0.763 0.941 0.706 CB 1.536 18 residues pruned to eliminate duplicates Z: 16 16.306 1.801 0.704 0.743 1.000 0.800 CA 1.103 16 residues pruned to eliminate duplicates Z: 6 2.036 1.143 0.412 0.299 0.800 0.800 CB 0.883 Z: 17 32.635 1.889 1.040 0.920 1.000 0.875 CB 1.491 18 residues pruned to eliminate duplicates Z: 27 26.065 1.734 0.815 0.895 0.962 0.846 CB 1.211 27 residues pruned to eliminate duplicates Z: 14 6.708 1.513 0.238 0.553 0.846 0.385 CB 1.115 9 residues pruned to eliminate duplicates Z: 12 7.084 1.383 0.407 0.832 0.909 0.727 CB 0.906 12 residues pruned to eliminate duplicates Z: 23 20.824 1.644 0.739 0.866 0.955 0.682 CB 1.191 23 residues pruned to eliminate duplicates Z: 8 2.410 1.414 0.482 0.354 0.571 0.571 CB 0.890 Z: 28 17.870 1.446 0.620 0.922 0.963 0.630 CB 1.073 28 residues pruned to eliminate duplicates 564 residues left after pruning, divided into chains as follows: A: 71 B: 31 C: 71 D: 26 E: 62 F: 61 G: 66 H: 27 I: 29 J: 32 K: 25 L: 29 M: 34 CC for partial structure against native data = 50.64 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.445, Connect. = 0.731 for dens.mod. cycle 1 = 0.300, Contrast = 0.525, Connect. = 0.763 for dens.mod. cycle 2 = 0.300, Contrast = 0.636, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.650, Connect. = 0.792 for dens.mod. cycle 4 = 0.300, Contrast = 0.662, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.666, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.671, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.673, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.675, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.675, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2572 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 595 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 37 51.945 2.048 1.027 0.932 1.000 0.833 CA 1.456 B: 37 52.329 2.037 1.023 0.947 1.000 0.861 CA 1.462 38 residues pruned to eliminate duplicates C: 30 45.248 2.057 0.758 0.948 1.000 0.966 CB 1.605 D: 37 42.572 2.011 0.791 0.946 0.944 0.806 CA 1.442 E: 35 29.880 1.950 0.424 0.920 1.000 0.882 CB 1.299 F: 30 43.655 2.124 0.806 0.950 1.000 0.862 CB 1.458 G: 27 39.208 1.997 0.853 0.908 0.962 0.615 CB 1.535 H: 27 40.586 2.017 0.820 0.949 0.962 0.654 CB 1.556 27 residues pruned to eliminate duplicates I: 38 50.110 2.032 0.974 0.938 1.000 0.703 CA 1.428 38 residues pruned to eliminate duplicates J: 37 42.435 1.994 0.809 0.927 0.972 0.722 CA 1.413 37 residues pruned to eliminate duplicates K: 24 30.297 2.183 0.386 0.944 1.000 0.957 CB 1.447 24 residues pruned to eliminate duplicates L: 26 29.762 1.933 0.669 0.886 0.960 0.640 CA 1.387 M: 35 36.427 2.023 0.589 0.941 0.971 0.824 CB 1.389 36 residues pruned to eliminate duplicates N: 38 44.180 2.002 0.818 0.907 1.000 0.757 CA 1.418 37 residues pruned to eliminate duplicates O: 36 52.629 2.074 1.055 0.946 0.971 0.629 CB 1.487 37 residues pruned to eliminate duplicates P: 31 42.250 1.992 0.904 0.892 0.967 0.700 CB 1.512 31 residues pruned to eliminate duplicates Q: 29 41.455 2.088 0.629 0.928 1.000 0.929 CA 1.612 29 residues pruned to eliminate duplicates R: 33 36.359 2.064 0.552 0.939 1.000 0.875 CB 1.394 33 residues pruned to eliminate duplicates S: 39 50.428 1.951 1.053 0.908 1.000 0.711 CA 1.451 39 residues pruned to eliminate duplicates T: 16 29.327 2.030 0.894 0.940 0.933 0.533 CB 1.465 16 residues pruned to eliminate duplicates U: 37 51.257 2.001 1.173 0.933 0.972 0.750 CB 1.411 37 residues pruned to eliminate duplicates V: 34 36.387 2.021 0.545 0.947 1.000 0.879 CB 1.401 34 residues pruned to eliminate duplicates W: 30 45.287 2.114 0.895 0.938 0.966 0.828 CB 1.512 30 residues pruned to eliminate duplicates X: 39 48.362 1.978 0.965 0.921 0.974 0.737 CA 1.459 39 residues pruned to eliminate duplicates Y: 28 36.239 1.942 0.794 0.902 0.963 0.778 CA 1.483 28 residues pruned to eliminate duplicates Z: 24 32.148 2.060 0.699 0.798 1.000 0.870 CB 1.475 20 residues pruned to eliminate duplicates Z: 30 48.352 2.114 1.093 0.946 1.000 0.828 CA 1.403 Z: 26 37.786 2.042 0.763 0.932 0.960 0.760 CA 1.527 26 residues pruned to eliminate duplicates Z: 37 28.091 1.752 0.797 0.880 0.917 0.694 CB 1.175 Z: 27 31.899 1.988 0.528 0.916 0.962 0.808 CA 1.512 27 residues pruned to eliminate duplicates Z: 29 55.179 2.139 1.229 0.962 1.000 0.714 CA 1.496 30 residues pruned to eliminate duplicates Z: 29 44.971 2.069 0.867 0.930 1.000 0.821 CB 1.539 30 residues pruned to eliminate duplicates Z: 34 35.078 2.043 0.504 0.940 1.000 0.758 CB 1.381 34 residues pruned to eliminate duplicates Z: 25 35.948 2.005 0.881 0.860 0.917 0.750 CB 1.561 25 residues pruned to eliminate duplicates Z: 30 40.164 2.118 0.790 0.942 1.000 0.897 CA 1.364 30 residues pruned to eliminate duplicates Z: 36 40.254 2.064 0.639 0.942 0.943 0.829 CA 1.479 36 residues pruned to eliminate duplicates Z: 25 38.237 2.120 0.727 0.945 1.000 0.792 CB 1.476 25 residues pruned to eliminate duplicates Z: 29 42.473 2.134 0.740 0.930 0.964 0.786 CB 1.567 29 residues pruned to eliminate duplicates Z: 34 35.795 2.034 0.546 0.951 1.000 0.818 CB 1.366 34 residues pruned to eliminate duplicates Z: 31 36.795 2.073 0.467 0.921 1.000 0.900 CA 1.555 31 residues pruned to eliminate duplicates Z: 36 30.716 1.821 0.659 0.913 0.971 0.714 CB 1.252 37 residues pruned to eliminate duplicates Z: 30 37.741 2.117 0.744 0.921 1.000 0.966 CA 1.336 30 residues pruned to eliminate duplicates Z: 22 30.647 1.924 0.861 0.865 0.952 0.762 CA 1.437 22 residues pruned to eliminate duplicates Z: 31 41.939 2.047 0.743 0.925 0.967 0.800 CB 1.558 30 residues pruned to eliminate duplicates Z: 30 26.982 2.024 0.285 0.939 1.000 0.897 CB 1.339 30 residues pruned to eliminate duplicates Z: 31 34.249 2.081 0.385 0.936 1.000 0.867 CA 1.510 31 residues pruned to eliminate duplicates Z: 28 32.061 1.943 0.669 0.900 1.000 0.815 CA 1.359 26 residues pruned to eliminate duplicates Z: 30 47.633 2.124 1.032 0.954 1.000 0.793 CA 1.409 30 residues pruned to eliminate duplicates Z: 8 6.998 1.756 0.244 0.566 0.857 0.571 CB 1.325 Z: 27 34.710 2.074 0.732 0.921 0.962 0.731 CB 1.387 27 residues pruned to eliminate duplicates Z: 30 40.306 2.023 0.707 0.920 1.000 0.897 CB 1.526 30 residues pruned to eliminate duplicates Z: 28 33.661 1.785 1.123 0.951 1.000 0.630 CB 1.178 Z: 30 51.183 2.086 1.194 0.928 1.000 0.690 CA 1.454 30 residues pruned to eliminate duplicates Z: 31 43.567 2.085 0.747 0.917 1.000 0.867 CB 1.541 31 residues pruned to eliminate duplicates Z: 20 39.963 2.155 0.856 0.932 0.947 0.789 CA 1.689 20 residues pruned to eliminate duplicates Z: 22 37.192 2.084 0.676 0.925 1.000 0.810 CB 1.631 22 residues pruned to eliminate duplicates Z: 20 30.529 2.120 0.499 0.929 1.000 0.895 CA 1.542 20 residues pruned to eliminate duplicates Z: 29 47.074 2.108 0.826 0.953 1.000 0.893 CB 1.590 29 residues pruned to eliminate duplicates Z: 30 46.669 2.115 0.931 0.950 0.966 0.828 CB 1.515 30 residues pruned to eliminate duplicates Z: 31 44.210 2.089 0.779 0.905 0.967 0.833 CB 1.599 31 residues pruned to eliminate duplicates Z: 22 41.627 2.101 0.780 0.944 1.000 0.857 CA 1.683 22 residues pruned to eliminate duplicates Z: 18 37.134 2.099 1.004 0.929 1.000 0.824 CB 1.498 18 residues pruned to eliminate duplicates Z: 26 24.144 1.863 0.785 0.841 0.960 0.680 CB 1.128 26 residues pruned to eliminate duplicates Z: 38 46.793 2.017 0.844 0.919 1.000 0.865 CA 1.458 38 residues pruned to eliminate duplicates Z: 30 51.428 2.026 1.214 0.955 1.000 0.655 CB 1.463 30 residues pruned to eliminate duplicates Z: 30 32.186 1.893 0.731 0.871 1.000 0.759 CA 1.331 32 residues pruned to eliminate duplicates Z: 39 43.341 1.980 0.839 0.923 1.000 0.816 CA 1.357 39 residues pruned to eliminate duplicates Z: 29 48.752 2.071 1.093 0.951 1.000 0.500 CB 1.464 29 residues pruned to eliminate duplicates Z: 21 31.487 1.984 0.932 0.903 0.950 0.550 CB 1.377 21 residues pruned to eliminate duplicates Z: 30 42.465 2.125 0.675 0.955 0.966 0.862 CB 1.577 30 residues pruned to eliminate duplicates Z: 64 49.195 1.851 0.840 0.918 0.984 0.635 CB 1.304 36 residues pruned to eliminate duplicates Z: 36 47.564 2.043 1.203 0.952 0.886 0.400 CB 1.389 36 residues pruned to eliminate duplicates Z: 27 29.573 2.055 0.511 0.929 0.962 0.846 CB 1.359 27 residues pruned to eliminate duplicates Z: 30 46.454 2.048 0.878 0.954 1.000 0.828 CB 1.543 30 residues pruned to eliminate duplicates Z: 38 44.003 2.010 0.850 0.900 1.000 0.811 CA 1.389 38 residues pruned to eliminate duplicates Z: 38 55.305 2.001 1.145 0.948 1.000 0.811 CA 1.463 37 residues pruned to eliminate duplicates Z: 36 44.474 2.077 0.764 0.946 0.971 0.886 CA 1.461 36 residues pruned to eliminate duplicates Z: 31 37.370 2.068 0.696 0.942 0.967 0.633 CB 1.395 31 residues pruned to eliminate duplicates Z: 22 29.388 1.956 0.894 0.858 0.952 0.810 CA 1.339 22 residues pruned to eliminate duplicates Z: 29 59.994 2.154 1.354 0.957 1.000 0.857 CA 1.534 29 residues pruned to eliminate duplicates Z: 31 43.934 1.970 0.895 0.907 0.967 0.733 CB 1.581 31 residues pruned to eliminate duplicates Z: 35 43.884 2.083 0.730 0.943 0.971 0.735 CB 1.491 35 residues pruned to eliminate duplicates Z: 36 47.310 1.970 0.923 0.907 1.000 0.829 CA 1.500 36 residues pruned to eliminate duplicates Z: 18 37.967 2.114 0.985 0.954 1.000 0.706 CB 1.508 18 residues pruned to eliminate duplicates Z: 38 44.392 2.025 0.831 0.925 1.000 0.946 CA 1.382 38 residues pruned to eliminate duplicates Z: 30 51.738 2.105 1.180 0.921 1.000 0.690 CA 1.474 30 residues pruned to eliminate duplicates Z: 32 28.788 1.988 0.488 0.936 1.000 0.968 CA 1.216 30 residues pruned to eliminate duplicates Z: 37 52.026 2.032 1.121 0.931 0.944 0.528 CB 1.489 37 residues pruned to eliminate duplicates Z: 63 52.113 2.022 0.792 0.828 0.935 0.677 CB 1.470 94 residues pruned to eliminate duplicates Z: 38 44.795 2.026 0.786 0.929 1.000 0.865 CA 1.424 38 residues pruned to eliminate duplicates Z: 31 38.728 2.038 0.568 0.935 1.000 0.867 CA 1.542 31 residues pruned to eliminate duplicates Z: 26 40.537 2.040 0.812 0.950 1.000 0.920 CA 1.513 26 residues pruned to eliminate duplicates Z: 25 31.715 2.078 0.368 0.957 1.000 1.000 CA 1.563 25 residues pruned to eliminate duplicates Z: 38 55.519 1.991 1.173 0.938 1.000 0.784 CA 1.467 38 residues pruned to eliminate duplicates Z: 37 51.799 2.069 0.972 0.931 1.000 0.806 CA 1.479 37 residues pruned to eliminate duplicates Z: 58 47.059 1.985 0.820 0.752 0.947 0.667 CB 1.454 41 residues pruned to eliminate duplicates Z: 17 23.114 1.930 0.378 0.938 1.000 1.000 CA 1.511 Z: 37 52.172 2.024 1.194 0.924 1.000 0.611 CB 1.376 37 residues pruned to eliminate duplicates Z: 30 40.560 2.109 0.941 0.962 1.000 0.759 CB 1.259 30 residues pruned to eliminate duplicates Z: 18 30.816 1.879 0.849 0.937 1.000 0.529 CA 1.497 17 residues pruned to eliminate duplicates Z: 30 44.314 2.116 0.876 0.956 1.000 0.966 CA 1.424 31 residues pruned to eliminate duplicates Z: 40 43.673 1.990 0.792 0.917 0.974 0.795 CA 1.421 40 residues pruned to eliminate duplicates Z: 34 36.003 2.047 0.448 0.936 1.000 0.879 CB 1.472 34 residues pruned to eliminate duplicates Z: 21 23.106 1.935 0.643 0.816 0.950 0.850 CA 1.300 21 residues pruned to eliminate duplicates Z: 29 49.273 2.076 1.170 0.942 0.964 0.571 CB 1.486 29 residues pruned to eliminate duplicates Z: 35 34.831 1.881 0.698 0.940 1.000 0.706 CB 1.298 Z: 31 47.424 2.054 1.005 0.931 1.000 0.733 CB 1.469 31 residues pruned to eliminate duplicates Z: 27 32.582 1.969 0.609 0.859 1.000 0.769 CA 1.484 27 residues pruned to eliminate duplicates Z: 22 24.795 1.880 0.840 0.885 0.857 0.619 CB 1.317 22 residues pruned to eliminate duplicates Z: 28 33.215 1.971 0.700 0.870 0.926 0.778 CB 1.505 28 residues pruned to eliminate duplicates Z: 30 52.652 2.127 1.160 0.957 1.000 0.759 CB 1.461 30 residues pruned to eliminate duplicates Z: 60 55.246 2.073 0.865 0.864 0.915 0.797 CA 1.489 57 residues pruned to eliminate duplicates Z: 24 34.968 2.093 0.497 0.954 1.000 1.000 CB 1.600 24 residues pruned to eliminate duplicates Z: 30 37.096 2.074 0.498 0.924 1.000 0.862 CA 1.557 30 residues pruned to eliminate duplicates Z: 30 55.646 2.117 1.287 0.960 1.000 0.793 CA 1.462 30 residues pruned to eliminate duplicates Z: 27 33.775 1.852 0.886 0.928 1.000 0.692 CB 1.328 18 residues pruned to eliminate duplicates Z: 30 44.752 2.114 1.041 0.933 0.966 0.828 CA 1.392 30 residues pruned to eliminate duplicates Z: 30 48.510 2.149 0.800 0.947 1.000 0.966 CB 1.610 30 residues pruned to eliminate duplicates Z: 13 14.719 1.830 0.574 0.912 1.000 0.833 CB 1.044 13 residues pruned to eliminate duplicates Z: 35 33.032 2.004 0.362 0.963 1.000 0.971 CB 1.418 35 residues pruned to eliminate duplicates Z: 30 36.172 2.026 0.544 0.914 0.966 0.862 CA 1.572 30 residues pruned to eliminate duplicates Z: 28 26.065 1.754 0.686 0.914 0.963 0.741 CB 1.246 28 residues pruned to eliminate duplicates Z: 55 50.659 2.012 0.828 0.793 0.963 0.759 CB 1.505 56 residues pruned to eliminate duplicates Z: 23 30.395 1.833 0.923 0.907 1.000 0.864 CA 1.307 20 residues pruned to eliminate duplicates Z: 35 47.517 2.097 1.017 0.936 0.971 0.647 CB 1.382 35 residues pruned to eliminate duplicates Z: 28 35.639 1.817 0.983 0.903 1.000 0.704 CB 1.356 28 residues pruned to eliminate duplicates Z: 30 38.267 2.075 0.703 0.907 0.931 0.828 CB 1.535 30 residues pruned to eliminate duplicates Z: 20 32.297 1.845 1.001 0.901 1.000 0.842 CA 1.433 20 residues pruned to eliminate duplicates Z: 27 24.081 1.834 0.318 0.921 1.000 0.923 CA 1.375 27 residues pruned to eliminate duplicates Z: 34 40.144 2.068 0.743 0.961 1.000 0.788 CB 1.327 34 residues pruned to eliminate duplicates Z: 27 28.599 1.928 0.651 0.869 0.923 0.654 CA 1.394 27 residues pruned to eliminate duplicates Z: 26 25.530 1.734 0.800 0.863 0.920 0.680 CB 1.305 26 residues pruned to eliminate duplicates Z: 43 37.595 1.945 0.617 0.863 0.976 0.762 CB 1.386 43 residues pruned to eliminate duplicates Z: 29 57.594 2.105 1.382 0.957 1.000 0.571 CB 1.490 30 residues pruned to eliminate duplicates Z: 30 52.796 2.071 1.242 0.935 1.000 0.690 CB 1.472 30 residues pruned to eliminate duplicates Z: 31 46.549 2.071 0.853 0.930 0.967 0.833 CB 1.602 31 residues pruned to eliminate duplicates Z: 29 38.085 1.941 0.786 0.886 1.000 0.821 CA 1.498 29 residues pruned to eliminate duplicates Z: 31 29.273 1.835 0.650 0.900 0.933 0.767 CB 1.351 31 residues pruned to eliminate duplicates Z: 39 52.016 1.981 1.098 0.920 0.974 0.789 CB 1.468 39 residues pruned to eliminate duplicates Z: 28 30.552 1.784 0.695 0.926 1.000 0.852 CB 1.363 27 residues pruned to eliminate duplicates Z: 36 27.396 1.790 0.699 0.877 0.886 0.714 CB 1.248 36 residues pruned to eliminate duplicates Z: 35 27.766 1.984 0.156 0.942 1.000 0.882 CA 1.440 35 residues pruned to eliminate duplicates Z: 32 40.760 2.025 0.775 0.937 0.968 0.871 CB 1.465 32 residues pruned to eliminate duplicates Z: 38 48.361 2.009 0.949 0.922 1.000 0.730 CA 1.428 38 residues pruned to eliminate duplicates Z: 34 41.422 2.073 0.774 0.949 1.000 0.788 CB 1.353 34 residues pruned to eliminate duplicates Z: 33 31.821 2.025 0.516 0.941 0.969 0.781 CB 1.313 33 residues pruned to eliminate duplicates Z: 38 49.711 2.026 0.997 0.930 1.000 0.811 CA 1.412 38 residues pruned to eliminate duplicates Z: 36 44.181 2.088 0.856 0.829 0.971 0.800 CB 1.493 36 residues pruned to eliminate duplicates Z: 28 49.834 2.093 1.255 0.957 0.963 0.630 CB 1.448 28 residues pruned to eliminate duplicates Z: 33 33.334 2.016 0.758 0.933 0.906 0.625 CB 1.281 33 residues pruned to eliminate duplicates Z: 37 34.394 1.765 0.955 0.936 0.944 0.667 CB 1.225 37 residues pruned to eliminate duplicates Z: 30 56.069 2.129 1.282 0.964 1.000 0.690 CA 1.464 29 residues pruned to eliminate duplicates Z: 19 34.905 1.935 1.156 0.929 1.000 0.778 CB 1.380 19 residues pruned to eliminate duplicates Z: 31 40.482 2.089 0.570 0.927 1.000 0.900 CB 1.580 31 residues pruned to eliminate duplicates Z: 36 25.748 1.755 0.525 0.904 0.943 0.829 CB 1.229 36 residues pruned to eliminate duplicates Z: 36 48.793 2.082 0.921 0.938 0.943 0.543 CB 1.522 36 residues pruned to eliminate duplicates Z: 24 25.640 1.808 0.615 0.944 1.000 0.913 CA 1.269 Z: 38 48.722 1.998 0.999 0.931 0.973 0.622 CA 1.440 38 residues pruned to eliminate duplicates Z: 6 3.644 1.722 0.117 0.604 1.000 0.200 CB 0.768 Z: 18 17.257 1.864 0.517 0.875 0.882 0.824 CA 1.220 18 residues pruned to eliminate duplicates Z: 14 16.886 1.822 0.656 0.911 0.923 0.846 CB 1.192 14 residues pruned to eliminate duplicates Z: 28 30.906 1.827 0.911 0.927 1.000 0.852 CB 1.193 28 residues pruned to eliminate duplicates Z: 30 38.615 2.121 0.771 0.951 1.000 1.000 CA 1.316 30 residues pruned to eliminate duplicates Z: 25 27.907 1.837 0.641 0.903 0.958 0.792 CB 1.406 25 residues pruned to eliminate duplicates Z: 31 45.209 2.110 0.936 0.927 1.000 0.833 CA 1.416 31 residues pruned to eliminate duplicates Z: 22 36.813 2.084 0.845 0.934 0.952 0.714 CB 1.530 22 residues pruned to eliminate duplicates Z: 28 29.812 1.798 0.650 0.935 1.000 0.852 CB 1.348 28 residues pruned to eliminate duplicates Z: 20 30.530 1.885 1.006 0.915 0.947 0.632 CA 1.381 20 residues pruned to eliminate duplicates Z: 30 48.055 2.057 1.044 0.931 1.000 0.759 CB 1.483 30 residues pruned to eliminate duplicates Z: 30 43.108 2.031 0.802 0.916 1.000 0.759 CB 1.544 30 residues pruned to eliminate duplicates Z: 27 31.881 2.008 0.662 0.910 0.923 0.769 CA 1.439 27 residues pruned to eliminate duplicates Z: 27 30.575 1.858 0.521 0.942 1.000 0.923 CB 1.471 27 residues pruned to eliminate duplicates Z: 30 40.098 2.124 0.724 0.940 1.000 0.897 CA 1.412 31 residues pruned to eliminate duplicates Z: 28 31.004 1.831 0.739 0.928 0.963 0.778 CB 1.362 28 residues pruned to eliminate duplicates Z: 19 24.352 1.827 0.653 0.938 1.000 0.944 CA 1.322 19 residues pruned to eliminate duplicates Z: 23 26.907 1.781 0.633 0.917 1.000 0.818 CA 1.391 23 residues pruned to eliminate duplicates Z: 30 45.699 2.126 0.696 0.943 1.000 0.966 CB 1.631 30 residues pruned to eliminate duplicates Z: 25 29.234 1.836 0.701 0.906 1.000 0.792 CB 1.359 23 residues pruned to eliminate duplicates Z: 38 37.113 1.999 0.640 0.909 1.000 0.892 CA 1.322 38 residues pruned to eliminate duplicates Z: 30 37.719 1.986 0.556 0.928 1.000 0.931 CB 1.587 29 residues pruned to eliminate duplicates Z: 22 29.653 1.808 0.747 0.932 1.000 0.762 CA 1.431 22 residues pruned to eliminate duplicates Z: 22 25.116 1.791 1.099 0.943 0.857 0.524 CB 1.179 22 residues pruned to eliminate duplicates Z: 23 27.580 1.820 0.865 0.843 0.955 0.818 CB 1.352 23 residues pruned to eliminate duplicates Z: 36 34.573 2.037 0.448 0.938 0.971 0.857 CA 1.418 36 residues pruned to eliminate duplicates Z: 30 23.986 1.607 0.530 0.904 1.000 0.793 CB 1.291 Z: 27 33.753 1.999 0.654 0.885 0.962 0.808 CA 1.503 27 residues pruned to eliminate duplicates Z: 25 27.127 1.819 0.719 0.923 0.958 0.833 CA 1.298 24 residues pruned to eliminate duplicates Z: 26 24.875 1.741 0.711 0.913 0.920 0.800 CA 1.285 26 residues pruned to eliminate duplicates Z: 35 35.275 1.891 0.742 0.944 1.000 0.765 CB 1.272 35 residues pruned to eliminate duplicates Z: 37 26.973 1.821 0.339 0.939 0.972 0.944 CB 1.318 37 residues pruned to eliminate duplicates Z: 31 21.893 1.546 0.522 0.907 1.000 0.800 CB 1.207 31 residues pruned to eliminate duplicates Z: 38 32.324 1.977 0.456 0.905 1.000 0.838 CA 1.315 38 residues pruned to eliminate duplicates Z: 37 36.425 1.981 0.732 0.937 0.917 0.694 CA 1.343 37 residues pruned to eliminate duplicates Z: 27 17.630 1.484 0.434 0.945 1.000 0.885 CB 1.124 Z: 33 37.676 2.053 0.702 0.948 1.000 0.688 CB 1.316 33 residues pruned to eliminate duplicates Z: 38 41.073 2.014 0.732 0.923 1.000 0.892 CA 1.360 38 residues pruned to eliminate duplicates Z: 36 42.767 2.060 0.618 0.949 1.000 0.914 CA 1.497 36 residues pruned to eliminate duplicates Z: 8 14.786 1.912 0.749 0.893 1.000 0.714 CA 1.199 7 residues pruned to eliminate duplicates Z: 38 34.965 1.950 0.612 0.924 1.000 0.946 CA 1.284 38 residues pruned to eliminate duplicates Z: 23 26.727 2.149 0.214 0.941 1.000 0.955 CB 1.516 23 residues pruned to eliminate duplicates Z: 24 27.838 1.800 0.822 0.862 0.957 0.652 CB 1.359 24 residues pruned to eliminate duplicates Z: 31 39.536 2.081 0.542 0.924 1.000 0.967 CA 1.579 31 residues pruned to eliminate duplicates Z: 25 27.750 1.855 0.663 0.919 0.958 0.875 CA 1.351 25 residues pruned to eliminate duplicates Z: 18 18.255 1.833 0.513 0.860 0.882 0.765 CA 1.331 18 residues pruned to eliminate duplicates Z: 29 38.694 2.143 0.714 0.961 1.000 0.964 CA 1.363 29 residues pruned to eliminate duplicates Z: 29 31.248 1.890 0.733 0.894 1.000 0.714 CB 1.293 29 residues pruned to eliminate duplicates Z: 18 21.905 1.885 0.435 0.951 1.000 1.000 CA 1.353 18 residues pruned to eliminate duplicates Z: 27 30.138 1.996 0.484 0.901 1.000 0.885 CA 1.424 27 residues pruned to eliminate duplicates Z: 18 23.831 1.785 0.866 0.924 0.941 0.706 CB 1.295 18 residues pruned to eliminate duplicates Z: 18 22.802 1.880 0.539 0.911 1.000 0.706 CB 1.355 18 residues pruned to eliminate duplicates Z: 31 44.180 2.088 0.997 0.939 1.000 0.867 CA 1.345 31 residues pruned to eliminate duplicates Z: 27 30.378 1.816 0.759 0.897 0.962 0.846 CB 1.389 25 residues pruned to eliminate duplicates Z: 34 36.269 2.041 0.516 0.931 1.000 0.758 CB 1.426 34 residues pruned to eliminate duplicates Z: 37 33.611 1.803 0.811 0.927 0.944 0.722 CB 1.273 37 residues pruned to eliminate duplicates Z: 28 32.366 1.824 0.817 0.939 1.000 0.889 CB 1.306 28 residues pruned to eliminate duplicates Z: 38 32.565 1.803 0.826 0.889 0.919 0.568 CB 1.274 38 residues pruned to eliminate duplicates Z: 13 7.138 1.438 0.495 0.787 0.750 0.500 CB 0.993 13 residues pruned to eliminate duplicates Z: 37 28.612 1.760 0.739 0.920 0.972 0.778 CB 1.129 37 residues pruned to eliminate duplicates Z: 27 31.958 1.824 0.733 0.943 1.000 0.885 CB 1.374 27 residues pruned to eliminate duplicates Z: 28 21.646 1.601 0.465 0.904 1.000 0.926 CB 1.265 28 residues pruned to eliminate duplicates Z: 29 50.667 2.104 1.000 0.951 1.000 0.714 CB 1.568 29 residues pruned to eliminate duplicates Z: 38 25.464 1.727 0.619 0.906 0.946 0.811 CB 1.126 38 residues pruned to eliminate duplicates Z: 24 31.845 1.830 0.958 0.948 1.000 0.696 CB 1.280 24 residues pruned to eliminate duplicates Z: 36 25.566 1.745 0.357 0.898 1.000 0.686 CB 1.305 36 residues pruned to eliminate duplicates Z: 21 23.115 1.920 0.662 0.831 0.900 0.850 CA 1.352 21 residues pruned to eliminate duplicates Z: 29 26.799 1.801 0.619 0.876 1.000 0.714 CB 1.262 29 residues pruned to eliminate duplicates Z: 38 50.738 2.020 0.967 0.933 1.000 0.784 CA 1.465 38 residues pruned to eliminate duplicates Z: 30 49.154 2.128 1.062 0.947 1.000 0.931 CA 1.437 30 residues pruned to eliminate duplicates Z: 13 11.256 1.751 0.392 0.853 0.917 0.750 CB 1.075 13 residues pruned to eliminate duplicates Z: 23 33.051 1.967 0.872 0.920 0.909 0.773 CA 1.483 23 residues pruned to eliminate duplicates Z: 29 31.189 1.769 0.800 0.901 1.000 0.714 CB 1.321 29 residues pruned to eliminate duplicates Z: 38 49.334 2.001 0.986 0.919 0.973 0.730 CA 1.479 38 residues pruned to eliminate duplicates Z: 6 4.457 1.562 0.317 0.569 0.800 0.600 CB 1.134 Z: 32 44.461 2.035 0.833 0.924 0.968 0.903 CB 1.554 32 residues pruned to eliminate duplicates Z: 23 22.074 1.793 0.570 0.948 1.000 0.864 CA 1.155 23 residues pruned to eliminate duplicates Z: 23 30.945 2.102 0.457 0.944 1.000 0.864 CB 1.492 23 residues pruned to eliminate duplicates Z: 34 36.446 1.995 0.755 0.957 1.000 0.606 CB 1.244 34 residues pruned to eliminate duplicates Z: 26 25.047 1.796 0.703 0.888 0.960 0.880 CB 1.228 26 residues pruned to eliminate duplicates Z: 36 32.915 2.029 0.550 0.929 0.943 0.886 CA 1.313 36 residues pruned to eliminate duplicates Z: 31 44.179 2.073 0.796 0.925 1.000 0.800 CB 1.520 31 residues pruned to eliminate duplicates Z: 29 29.434 1.735 0.748 0.928 1.000 0.750 CB 1.285 29 residues pruned to eliminate duplicates Z: 26 33.991 1.986 0.833 0.923 0.920 0.440 CB 1.427 26 residues pruned to eliminate duplicates Z: 22 34.239 2.065 0.689 0.913 0.952 0.905 CA 1.592 22 residues pruned to eliminate duplicates Z: 27 41.144 2.012 0.802 0.940 1.000 0.692 CA 1.545 27 residues pruned to eliminate duplicates Z: 16 23.525 1.998 0.346 0.933 1.000 0.867 CB 1.576 16 residues pruned to eliminate duplicates Z: 19 25.402 1.840 0.838 0.864 0.944 0.833 CA 1.375 19 residues pruned to eliminate duplicates Z: 37 52.118 2.015 1.004 0.934 1.000 0.694 CB 1.500 37 residues pruned to eliminate duplicates Z: 29 23.283 1.781 0.593 0.883 0.893 0.714 CB 1.256 29 residues pruned to eliminate duplicates Z: 38 50.184 1.948 1.150 0.907 0.946 0.568 CA 1.480 38 residues pruned to eliminate duplicates Z: 37 33.650 1.806 0.770 0.886 0.944 0.528 CB 1.341 37 residues pruned to eliminate duplicates Z: 24 24.836 1.819 0.684 0.926 0.957 0.913 CA 1.239 24 residues pruned to eliminate duplicates 6 1.605 1.556 0.163 0.268 0.600 0.600 CB 0.861 ? Z: 20 21.295 1.790 0.769 0.845 0.947 0.632 CB 1.210 20 residues pruned to eliminate duplicates Z: 31 43.490 2.067 0.755 0.927 1.000 0.833 CB 1.534 31 residues pruned to eliminate duplicates Z: 19 24.942 1.875 0.580 0.906 1.000 0.778 CA 1.412 19 residues pruned to eliminate duplicates Z: 27 36.220 2.093 0.717 0.917 0.962 0.769 CB 1.451 27 residues pruned to eliminate duplicates Z: 37 35.330 1.841 0.854 0.934 0.944 0.639 CB 1.274 37 residues pruned to eliminate duplicates Z: 35 47.767 2.083 0.820 0.954 1.000 0.706 CA 1.486 35 residues pruned to eliminate duplicates Z: 28 32.371 1.797 0.748 0.897 1.000 0.815 CA 1.419 28 residues pruned to eliminate duplicates Z: 25 43.082 2.005 1.262 0.917 0.958 0.833 CB 1.428 25 residues pruned to eliminate duplicates Z: 19 21.807 1.897 0.495 0.930 0.944 0.667 CB 1.342 19 residues pruned to eliminate duplicates Z: 21 24.067 1.783 0.544 0.920 1.000 0.950 CA 1.376 21 residues pruned to eliminate duplicates Z: 38 44.675 1.961 0.902 0.903 1.000 0.676 CA 1.403 39 residues pruned to eliminate duplicates Z: 24 19.040 1.643 0.505 0.864 1.000 0.870 CB 1.177 24 residues pruned to eliminate duplicates Z: 21 20.245 1.816 0.605 0.921 0.900 0.750 CB 1.215 21 residues pruned to eliminate duplicates Z: 20 24.137 1.815 1.063 0.945 0.947 0.684 CB 1.080 20 residues pruned to eliminate duplicates Z: 32 39.603 2.019 0.671 0.921 1.000 0.903 CA 1.483 32 residues pruned to eliminate duplicates Z: 23 18.680 1.748 0.351 0.946 1.000 0.955 CA 1.166 23 residues pruned to eliminate duplicates Z: 19 22.914 1.852 0.604 0.914 0.944 0.889 CB 1.361 19 residues pruned to eliminate duplicates Z: 29 23.416 1.821 0.495 0.889 0.964 0.786 CB 1.214 29 residues pruned to eliminate duplicates Z: 14 17.438 1.774 0.665 0.933 0.923 0.692 CB 1.238 14 residues pruned to eliminate duplicates Z: 37 27.644 1.745 0.587 0.881 0.972 0.833 CB 1.238 37 residues pruned to eliminate duplicates Z: 28 30.770 1.818 0.664 0.945 1.000 0.741 CB 1.355 28 residues pruned to eliminate duplicates Z: 23 24.256 1.769 0.890 0.896 0.909 0.591 CB 1.219 23 residues pruned to eliminate duplicates Z: 28 40.615 2.045 1.069 0.935 0.926 0.630 CB 1.390 28 residues pruned to eliminate duplicates Z: 29 32.601 1.914 0.761 0.921 0.929 0.679 CB 1.385 29 residues pruned to eliminate duplicates Z: 7 4.395 1.912 0.054 0.553 0.833 0.667 CB 1.015 7 residues pruned to eliminate duplicates Z: 35 29.505 1.847 0.548 0.928 1.000 0.853 CB 1.239 35 residues pruned to eliminate duplicates Z: 9 3.581 1.711 0.378 0.433 0.750 0.625 CA 0.768 9 residues pruned to eliminate duplicates Z: 16 11.051 1.364 0.417 0.875 0.933 0.600 CB 1.151 16 residues pruned to eliminate duplicates Z: 24 20.076 1.512 0.610 0.895 1.000 0.870 CB 1.233 Z: 27 21.179 1.707 0.489 0.847 0.923 0.654 CB 1.315 27 residues pruned to eliminate duplicates Z: 37 48.908 2.008 1.099 0.911 0.944 0.639 CB 1.451 37 residues pruned to eliminate duplicates Z: 17 17.040 1.925 0.458 0.783 0.938 0.812 CA 1.262 17 residues pruned to eliminate duplicates Z: 35 33.998 2.013 0.507 0.905 1.000 0.971 CA 1.367 35 residues pruned to eliminate duplicates Z: 23 29.103 1.950 0.832 0.895 0.955 0.500 CA 1.305 23 residues pruned to eliminate duplicates Z: 37 34.848 1.996 0.577 0.907 0.972 0.889 CA 1.349 37 residues pruned to eliminate duplicates Z: 25 26.127 1.797 0.913 0.901 0.917 0.375 CB 1.208 25 residues pruned to eliminate duplicates Z: 36 48.138 2.072 0.944 0.946 0.943 0.743 CB 1.482 36 residues pruned to eliminate duplicates Z: 9 11.610 1.477 0.622 0.912 1.000 0.875 CA 1.213 Z: 22 26.129 1.936 0.773 0.853 0.857 0.619 CB 1.433 22 residues pruned to eliminate duplicates Z: 29 32.929 1.910 0.731 0.891 0.964 0.714 CA 1.403 29 residues pruned to eliminate duplicates Z: 32 44.246 2.009 0.896 0.925 1.000 0.968 CB 1.464 32 residues pruned to eliminate duplicates Z: 15 26.154 1.917 0.934 0.897 1.000 0.643 CA 1.350 15 residues pruned to eliminate duplicates Z: 29 28.840 1.776 0.808 0.920 1.000 0.607 CB 1.195 29 residues pruned to eliminate duplicates Z: 13 14.254 1.646 0.788 0.913 1.000 0.833 CB 0.989 13 residues pruned to eliminate duplicates Z: 13 13.654 1.543 0.525 0.865 1.000 0.667 CB 1.227 13 residues pruned to eliminate duplicates Z: 22 21.967 1.850 0.692 0.888 0.905 0.667 CB 1.219 22 residues pruned to eliminate duplicates Z: 30 21.809 1.582 0.768 0.874 0.966 0.621 CB 1.091 30 residues pruned to eliminate duplicates Z: 20 21.411 1.843 0.407 0.926 1.000 0.895 CB 1.328 20 residues pruned to eliminate duplicates Z: 10 14.334 1.880 1.066 0.767 0.889 0.444 CB 1.093 10 residues pruned to eliminate duplicates Z: 9 5.266 1.728 0.530 0.561 0.625 0.375 CB 1.063 9 residues pruned to eliminate duplicates Z: 34 46.779 1.946 0.956 0.947 1.000 0.727 CA 1.479 33 residues pruned to eliminate duplicates Z: 32 21.048 1.572 0.351 0.898 1.000 0.871 CA 1.273 32 residues pruned to eliminate duplicates Z: 14 26.365 1.824 1.174 0.854 1.000 0.462 CB 1.363 14 residues pruned to eliminate duplicates Z: 20 19.080 1.761 0.605 0.916 1.000 0.895 CB 1.094 20 residues pruned to eliminate duplicates Z: 35 33.394 1.998 0.517 0.945 1.000 0.794 CB 1.308 35 residues pruned to eliminate duplicates Z: 27 21.826 1.907 0.504 0.722 0.923 0.731 CB 1.323 28 residues pruned to eliminate duplicates Z: 36 45.482 2.035 0.881 0.944 0.971 0.629 CA 1.431 36 residues pruned to eliminate duplicates Z: 38 34.969 1.990 0.550 0.909 1.000 0.892 CA 1.322 38 residues pruned to eliminate duplicates Z: 18 17.002 1.813 0.513 0.874 0.882 0.765 CB 1.240 18 residues pruned to eliminate duplicates Z: 35 43.281 2.021 1.007 0.956 1.000 0.706 CB 1.256 34 residues pruned to eliminate duplicates Z: 37 31.478 1.798 0.760 0.915 0.972 0.667 CB 1.205 36 residues pruned to eliminate duplicates Z: 7 3.131 1.421 0.870 0.305 0.667 0.500 CB 0.896 Z: 37 28.498 1.792 0.556 0.916 0.972 0.833 CB 1.237 37 residues pruned to eliminate duplicates Z: 8 10.741 1.536 0.539 0.864 1.000 0.857 CB 1.260 9 residues pruned to eliminate duplicates Z: 57 45.041 1.974 0.829 0.774 0.893 0.786 CB 1.466 57 residues pruned to eliminate duplicates Z: 32 44.828 1.977 1.034 0.950 0.968 0.806 CA 1.427 32 residues pruned to eliminate duplicates Z: 22 14.598 1.431 0.545 0.876 0.952 0.762 CB 1.099 9 residues pruned to eliminate duplicates Z: 25 21.920 1.913 0.473 0.719 0.958 0.750 CB 1.360 25 residues pruned to eliminate duplicates Z: 19 24.204 1.915 0.646 0.905 0.889 0.833 CA 1.449 19 residues pruned to eliminate duplicates Z: 15 28.675 1.990 1.037 0.921 0.929 0.857 CB 1.433 15 residues pruned to eliminate duplicates Z: 27 32.907 1.833 0.754 0.931 1.000 0.923 CA 1.402 27 residues pruned to eliminate duplicates Z: 20 25.570 1.876 0.750 0.853 1.000 0.684 CB 1.321 20 residues pruned to eliminate duplicates Z: 39 45.276 1.962 0.860 0.920 1.000 0.868 CA 1.418 39 residues pruned to eliminate duplicates Z: 22 23.908 1.991 0.722 0.675 0.905 0.714 CB 1.431 22 residues pruned to eliminate duplicates Z: 27 32.180 1.833 0.905 0.948 1.000 0.500 CB 1.248 27 residues pruned to eliminate duplicates Z: 38 35.702 1.992 0.598 0.923 0.973 0.919 CA 1.331 38 residues pruned to eliminate duplicates Z: 26 21.858 1.777 0.722 0.897 0.920 0.680 CB 1.112 26 residues pruned to eliminate duplicates Z: 35 32.252 1.858 0.675 0.933 0.971 0.676 CB 1.278 35 residues pruned to eliminate duplicates Z: 26 28.242 1.777 0.714 0.896 1.000 0.840 CB 1.329 26 residues pruned to eliminate duplicates Z: 29 38.016 1.882 0.994 0.896 0.964 0.679 CA 1.422 29 residues pruned to eliminate duplicates Z: 18 24.188 2.026 0.510 0.920 0.882 0.824 CB 1.531 18 residues pruned to eliminate duplicates Z: 30 24.840 1.848 0.527 0.895 0.966 0.828 CB 1.214 30 residues pruned to eliminate duplicates Z: 27 33.450 1.953 0.699 0.906 1.000 0.808 CA 1.406 27 residues pruned to eliminate duplicates Z: 15 14.332 1.940 0.545 0.650 0.857 0.500 CB 1.296 15 residues pruned to eliminate duplicates Z: 30 36.485 1.869 0.763 0.895 1.000 0.655 CB 1.475 30 residues pruned to eliminate duplicates Z: 37 29.654 1.791 0.422 0.922 1.000 0.833 CB 1.365 36 residues pruned to eliminate duplicates Z: 30 31.035 2.100 0.546 0.934 1.000 0.966 CA 1.238 30 residues pruned to eliminate duplicates Z: 30 48.206 1.997 1.164 0.930 1.000 0.759 CB 1.448 30 residues pruned to eliminate duplicates Z: 35 33.441 1.820 1.074 0.941 1.000 0.412 CB 1.055 35 residues pruned to eliminate duplicates Z: 39 41.881 1.968 0.763 0.919 1.000 0.921 CA 1.380 39 residues pruned to eliminate duplicates Z: 26 42.464 2.022 1.046 0.916 0.960 0.680 CB 1.511 27 residues pruned to eliminate duplicates Z: 12 11.594 1.761 0.648 0.513 0.818 0.636 CA 1.454 12 residues pruned to eliminate duplicates Z: 8 2.250 1.534 0.155 0.378 0.714 0.286 CB 0.766 Z: 23 28.378 1.837 0.861 0.917 0.955 0.773 CB 1.309 23 residues pruned to eliminate duplicates Z: 17 6.794 1.470 0.333 0.536 0.812 0.688 CB 1.029 9 residues pruned to eliminate duplicates Z: 20 29.799 2.058 0.614 0.950 1.000 0.947 CA 1.420 20 residues pruned to eliminate duplicates Z: 49 47.594 2.038 0.891 0.835 0.896 0.771 CA 1.491 49 residues pruned to eliminate duplicates Z: 11 18.880 2.121 0.441 0.847 0.900 0.800 CB 1.612 11 residues pruned to eliminate duplicates Z: 48 43.471 2.004 0.867 0.849 1.000 0.660 CB 1.256 48 residues pruned to eliminate duplicates Z: 36 44.441 1.986 0.956 0.947 1.000 0.600 CB 1.336 36 residues pruned to eliminate duplicates Z: 12 9.527 1.529 0.421 0.854 1.000 0.727 CB 0.977 12 residues pruned to eliminate duplicates Z: 27 29.598 1.935 0.582 0.895 1.000 0.885 CB 1.359 27 residues pruned to eliminate duplicates Z: 26 26.207 1.742 0.634 0.921 1.000 0.880 CA 1.296 26 residues pruned to eliminate duplicates Z: 39 44.365 1.975 0.799 0.912 1.000 0.711 CA 1.435 39 residues pruned to eliminate duplicates Z: 19 24.591 1.700 1.036 0.932 0.944 0.778 CB 1.238 19 residues pruned to eliminate duplicates Z: 27 34.599 1.803 1.055 0.916 1.000 0.577 CB 1.293 27 residues pruned to eliminate duplicates Z: 21 37.453 1.959 1.300 0.936 0.950 0.550 CB 1.362 21 residues pruned to eliminate duplicates Z: 7 4.034 1.630 0.243 0.740 0.833 0.667 CB 0.787 Z: 21 24.521 1.985 0.554 0.840 0.900 0.750 CA 1.474 21 residues pruned to eliminate duplicates Z: 22 26.174 1.746 0.784 0.910 1.000 0.905 CB 1.300 22 residues pruned to eliminate duplicates Z: 11 5.472 1.446 0.290 0.740 0.900 0.700 CB 0.832 11 residues pruned to eliminate duplicates Z: 26 22.163 2.018 0.376 0.769 0.920 0.800 CA 1.367 26 residues pruned to eliminate duplicates Z: 27 22.726 1.706 0.515 0.889 0.962 0.769 CB 1.291 27 residues pruned to eliminate duplicates Z: 32 18.053 1.607 0.356 0.845 0.935 0.742 CB 1.183 32 residues pruned to eliminate duplicates Z: 10 7.826 1.537 0.239 0.790 0.889 0.667 CB 1.195 10 residues pruned to eliminate duplicates Z: 24 19.130 1.522 0.720 0.873 0.913 0.565 CB 1.216 24 residues pruned to eliminate duplicates Z: 29 52.486 2.154 1.207 0.965 1.000 0.857 CA 1.424 29 residues pruned to eliminate duplicates Z: 17 19.670 1.685 1.099 0.886 0.938 0.438 CB 1.071 17 residues pruned to eliminate duplicates Z: 21 26.914 1.796 0.841 0.772 1.000 0.550 CA 1.431 21 residues pruned to eliminate duplicates Z: 22 20.004 1.748 0.414 0.891 0.952 0.810 CA 1.332 22 residues pruned to eliminate duplicates Z: 28 28.136 1.786 0.662 0.916 0.963 0.889 CA 1.338 28 residues pruned to eliminate duplicates Z: 37 21.265 1.726 0.365 0.862 0.944 0.639 CB 1.169 37 residues pruned to eliminate duplicates Z: 21 33.255 1.982 0.875 0.824 0.900 0.750 CB 1.679 21 residues pruned to eliminate duplicates Z: 47 46.212 1.973 1.040 0.762 0.913 0.543 CB 1.469 50 residues pruned to eliminate duplicates Z: 32 27.709 1.734 0.789 0.808 0.935 0.677 CB 1.311 32 residues pruned to eliminate duplicates Z: 25 16.550 1.517 0.594 0.830 0.875 0.583 CB 1.200 25 residues pruned to eliminate duplicates Z: 23 25.370 1.827 0.735 0.870 1.000 0.636 CB 1.246 23 residues pruned to eliminate duplicates Z: 25 20.782 2.032 0.781 0.764 0.833 0.667 CB 1.112 25 residues pruned to eliminate duplicates Z: 30 15.702 1.539 0.229 0.870 0.966 0.828 CB 1.165 30 residues pruned to eliminate duplicates Z: 20 13.159 1.797 0.389 0.648 0.842 0.632 CB 1.250 20 residues pruned to eliminate duplicates Z: 10 12.111 1.516 0.687 0.863 1.000 0.778 CA 1.158 10 residues pruned to eliminate duplicates Z: 16 15.699 1.919 0.791 0.439 0.867 0.467 CB 1.449 16 residues pruned to eliminate duplicates Z: 24 17.284 1.527 0.661 0.855 0.870 0.783 CB 1.207 24 residues pruned to eliminate duplicates Z: 26 15.221 1.512 0.414 0.863 1.000 0.800 CB 1.044 26 residues pruned to eliminate duplicates Z: 30 23.102 1.594 0.617 0.906 1.000 0.690 CB 1.184 30 residues pruned to eliminate duplicates Z: 9 6.450 1.413 0.677 0.721 0.875 0.500 CB 0.901 9 residues pruned to eliminate duplicates Z: 13 14.552 1.663 0.670 0.862 0.917 0.750 CB 1.212 13 residues pruned to eliminate duplicates Z: 31 21.075 1.545 0.561 0.878 1.000 0.667 CB 1.157 31 residues pruned to eliminate duplicates Z: 37 29.404 1.796 0.647 0.923 0.944 0.694 CB 1.233 37 residues pruned to eliminate duplicates Z: 22 14.320 1.403 0.576 0.917 0.952 0.857 CB 1.048 22 residues pruned to eliminate duplicates Z: 6 2.717 1.785 0.380 0.756 1.000 0.800 CB 0.393 Z: 31 41.621 2.086 0.721 0.921 0.967 0.800 CB 1.541 31 residues pruned to eliminate duplicates Z: 6 2.040 1.718 0.253 0.279 0.600 0.400 CB 0.907 Z: 15 14.523 1.593 0.642 0.915 0.929 0.643 CB 1.130 15 residues pruned to eliminate duplicates Z: 29 29.500 1.756 0.943 0.872 0.929 0.321 CB 1.282 29 residues pruned to eliminate duplicates Z: 28 32.732 1.797 0.955 0.909 1.000 0.370 CB 1.272 27 residues pruned to eliminate duplicates Z: 11 9.860 1.414 0.497 0.859 0.900 0.800 CA 1.204 11 residues pruned to eliminate duplicates Z: 26 30.437 1.741 1.042 0.912 0.960 0.800 CB 1.263 26 residues pruned to eliminate duplicates Z: 26 25.161 1.919 0.739 0.720 0.880 0.640 CB 1.405 26 residues pruned to eliminate duplicates Z: 26 36.196 2.008 0.808 0.913 0.960 0.680 CB 1.470 26 residues pruned to eliminate duplicates Z: 17 18.424 1.866 0.842 0.755 0.875 0.812 CB 1.220 17 residues pruned to eliminate duplicates Z: 8 4.549 1.332 0.988 0.400 0.857 0.429 CA 0.842 Z: 30 19.411 1.593 0.401 0.902 0.966 0.828 CB 1.193 30 residues pruned to eliminate duplicates Z: 51 38.011 2.024 0.500 0.817 0.980 0.820 CA 1.373 51 residues pruned to eliminate duplicates Z: 7 5.433 1.685 0.321 0.486 0.833 0.333 CB 1.213 16 residues pruned to eliminate duplicates Z: 26 19.876 1.701 0.407 0.922 1.000 0.800 CA 1.168 26 residues pruned to eliminate duplicates Z: 8 11.036 1.666 0.400 0.883 1.000 0.857 CB 1.293 8 residues pruned to eliminate duplicates Z: 37 33.864 2.001 0.500 0.911 0.972 0.861 CA 1.371 37 residues pruned to eliminate duplicates Z: 31 18.556 1.518 0.340 0.887 1.000 0.833 CB 1.202 31 residues pruned to eliminate duplicates Z: 28 30.935 1.769 0.987 0.919 0.963 0.630 CB 1.239 28 residues pruned to eliminate duplicates Z: 14 12.266 1.909 0.185 0.779 1.000 0.923 CB 1.176 14 residues pruned to eliminate duplicates Z: 16 15.820 1.877 0.495 0.778 0.933 0.800 CA 1.220 16 residues pruned to eliminate duplicates Z: 32 28.964 1.905 0.654 0.753 0.903 0.742 CB 1.459 32 residues pruned to eliminate duplicates Z: 26 17.657 1.733 0.795 0.683 0.840 0.680 CB 1.143 26 residues pruned to eliminate duplicates Z: 9 9.589 1.419 0.769 0.856 1.000 0.625 CB 0.996 9 residues pruned to eliminate duplicates Z: 9 14.271 1.976 0.742 0.857 1.000 1.000 CB 1.080 9 residues pruned to eliminate duplicates Z: 23 23.244 1.827 0.671 0.724 0.909 0.636 CB 1.460 17 residues pruned to eliminate duplicates Z: 21 5.228 1.388 0.529 0.298 0.850 0.500 CB 0.812 21 residues pruned to eliminate duplicates Z: 28 19.016 1.665 0.302 0.905 1.000 0.889 CA 1.202 26 residues pruned to eliminate duplicates Z: 8 5.023 1.625 0.101 0.539 0.857 0.714 CB 1.192 10 residues pruned to eliminate duplicates Z: 39 38.962 1.963 0.660 0.923 1.000 0.921 CA 1.363 39 residues pruned to eliminate duplicates Z: 19 17.138 1.714 0.430 0.811 0.944 0.722 CB 1.331 19 residues pruned to eliminate duplicates Z: 17 18.779 1.769 0.924 0.690 0.875 0.750 CB 1.324 17 residues pruned to eliminate duplicates Z: 26 21.042 1.703 1.091 0.594 0.880 0.360 CB 1.228 25 residues pruned to eliminate duplicates Z: 10 14.251 2.043 0.230 0.811 1.000 1.000 CB 1.441 10 residues pruned to eliminate duplicates Z: 6 5.451 1.596 0.598 0.485 1.000 0.800 CA 0.970 6 residues pruned to eliminate duplicates Z: 12 13.132 1.785 0.693 0.887 1.000 0.909 CA 0.944 12 residues pruned to eliminate duplicates Z: 17 15.898 1.889 0.374 0.734 1.000 0.500 CB 1.240 17 residues pruned to eliminate duplicates Z: 9 5.332 1.420 0.604 0.660 0.750 0.750 CB 0.952 9 residues pruned to eliminate duplicates Z: 36 33.043 1.821 0.689 0.929 0.971 0.657 CB 1.308 36 residues pruned to eliminate duplicates Z: 7 5.524 1.768 0.458 0.322 0.833 0.333 CA 1.278 7 residues pruned to eliminate duplicates Z: 7 4.724 1.583 0.397 0.606 0.833 0.500 CB 0.946 Using tripeptides from previous cycle as seeds Z: 38 44.590 2.018 0.804 0.919 1.000 0.838 CA 1.420 38 residues pruned to eliminate duplicates Z: 44 42.932 1.995 0.717 0.847 1.000 0.814 CA 1.419 44 residues pruned to eliminate duplicates Z: 58 47.183 2.058 0.599 0.892 1.000 0.860 CA 1.364 58 residues pruned to eliminate duplicates Z: 70 49.821 2.043 0.593 0.853 0.986 0.855 CA 1.382 70 residues pruned to eliminate duplicates Z: 71 61.757 2.092 0.702 0.908 1.000 0.829 CA 1.472 71 residues pruned to eliminate duplicates Z: 57 52.304 2.064 0.787 0.840 0.964 0.732 CA 1.467 57 residues pruned to eliminate duplicates Z: 57 50.976 2.058 0.706 0.849 0.964 0.732 CA 1.492 57 residues pruned to eliminate duplicates Z: 58 57.528 2.090 0.806 0.889 1.000 0.807 CA 1.454 58 residues pruned to eliminate duplicates Z: 61 50.827 2.023 0.743 0.846 0.967 0.833 CA 1.430 61 residues pruned to eliminate duplicates Z: 58 51.190 2.020 0.801 0.835 0.965 0.772 CA 1.446 58 residues pruned to eliminate duplicates Z: 63 48.125 1.997 0.773 0.801 0.935 0.710 CA 1.418 63 residues pruned to eliminate duplicates Z: 69 51.889 2.017 0.761 0.833 0.926 0.794 CA 1.435 69 residues pruned to eliminate duplicates Z: 56 48.814 1.980 0.802 0.811 0.964 0.727 CA 1.460 56 residues pruned to eliminate duplicates Z: 44 43.148 1.985 0.889 0.799 0.930 0.698 CA 1.451 44 residues pruned to eliminate duplicates Z: 62 47.046 2.000 0.726 0.826 0.951 0.738 CA 1.383 62 residues pruned to eliminate duplicates Z: 57 51.444 2.025 0.867 0.840 0.964 0.786 CA 1.407 57 residues pruned to eliminate duplicates Z: 61 53.639 2.033 0.842 0.838 0.983 0.783 CA 1.405 61 residues pruned to eliminate duplicates Z: 61 53.758 2.042 0.834 0.838 0.950 0.683 CA 1.458 61 residues pruned to eliminate duplicates Z: 57 52.083 2.021 0.884 0.818 0.946 0.768 CB 1.466 57 residues pruned to eliminate duplicates Z: 56 51.772 2.048 0.858 0.831 0.945 0.855 CA 1.458 57 residues pruned to eliminate duplicates Z: 40 44.806 1.989 0.876 0.897 0.974 0.846 CA 1.412 39 residues pruned to eliminate duplicates Z: 38 49.505 2.029 0.966 0.921 0.973 0.757 CA 1.476 38 residues pruned to eliminate duplicates Z: 39 49.188 2.040 1.066 0.829 0.947 0.684 CA 1.504 39 residues pruned to eliminate duplicates Z: 58 61.001 2.071 0.918 0.886 0.982 0.789 CA 1.495 59 residues pruned to eliminate duplicates Z: 39 48.293 1.993 0.988 0.937 1.000 0.816 CA 1.376 39 residues pruned to eliminate duplicates Z: 61 54.490 1.988 0.860 0.855 0.933 0.717 CA 1.505 61 residues pruned to eliminate duplicates Z: 57 55.464 2.059 0.900 0.857 0.929 0.732 CA 1.503 57 residues pruned to eliminate duplicates Z: 40 43.152 2.057 0.950 0.791 0.923 0.846 CB 1.445 40 residues pruned to eliminate duplicates Z: 72 64.985 2.071 0.797 0.907 0.986 0.746 CA 1.494 71 residues pruned to eliminate duplicates Z: 38 52.004 2.034 1.053 0.943 1.000 0.784 CA 1.420 38 residues pruned to eliminate duplicates Z: 25 37.081 2.070 0.974 0.801 0.917 0.792 CA 1.553 25 residues pruned to eliminate duplicates Z: 51 53.501 2.073 0.925 0.806 0.980 0.780 CA 1.481 51 residues pruned to eliminate duplicates Z: 59 51.362 2.000 0.879 0.803 0.966 0.759 CA 1.427 59 residues pruned to eliminate duplicates Z: 57 59.163 2.050 0.931 0.853 0.964 0.750 CB 1.530 57 residues pruned to eliminate duplicates Z: 57 61.850 2.071 0.891 0.895 0.982 0.821 CA 1.540 57 residues pruned to eliminate duplicates Z: 63 57.625 2.072 0.824 0.874 0.935 0.839 CA 1.507 63 residues pruned to eliminate duplicates Z: 57 58.478 2.046 0.911 0.877 0.964 0.768 CA 1.506 57 residues pruned to eliminate duplicates Z: 60 57.632 2.006 1.007 0.824 0.932 0.780 CA 1.510 60 residues pruned to eliminate duplicates Z: 61 62.228 2.094 0.822 0.907 1.000 0.850 CA 1.496 61 residues pruned to eliminate duplicates Z: 69 54.882 2.025 0.798 0.796 0.956 0.794 CA 1.475 69 residues pruned to eliminate duplicates Z: 58 51.565 2.008 0.804 0.828 1.000 0.737 CA 1.420 58 residues pruned to eliminate duplicates Z: 61 58.678 2.097 0.814 0.893 0.983 0.783 CA 1.455 61 residues pruned to eliminate duplicates Z: 58 62.860 2.074 0.987 0.832 1.000 0.807 CA 1.517 58 residues pruned to eliminate duplicates Z: 78 61.186 2.026 0.869 0.821 0.935 0.779 CA 1.491 78 residues pruned to eliminate duplicates Z: 72 65.313 2.078 0.875 0.858 0.972 0.775 CA 1.508 72 residues pruned to eliminate duplicates Z: 27 39.170 2.036 0.871 0.927 0.962 0.692 CB 1.469 27 residues pruned to eliminate duplicates Z: 54 61.243 2.078 0.957 0.845 1.000 0.604 CA 1.538 54 residues pruned to eliminate duplicates Z: 64 61.535 2.073 0.893 0.859 0.984 0.841 CA 1.477 64 residues pruned to eliminate duplicates Z: 72 68.742 2.068 0.906 0.885 1.000 0.704 CA 1.494 72 residues pruned to eliminate duplicates Z: 11 15.805 2.054 1.013 0.772 0.900 0.400 CB 1.056 11 residues pruned to eliminate duplicates Z: 60 70.311 2.090 1.015 0.896 1.000 0.729 CB 1.556 60 residues pruned to eliminate duplicates Z: 72 71.346 2.085 0.963 0.892 0.972 0.732 CA 1.530 72 residues pruned to eliminate duplicates Z: 71 64.440 2.057 0.885 0.895 0.943 0.714 CB 1.511 71 residues pruned to eliminate duplicates Z: 63 69.281 2.076 0.980 0.884 1.000 0.758 CB 1.546 63 residues pruned to eliminate duplicates Z: 72 64.987 2.048 0.987 0.839 0.958 0.577 CB 1.477 62 residues pruned to eliminate duplicates Z: 26 35.407 2.093 0.784 0.931 0.920 0.720 CB 1.441 11 residues pruned to eliminate duplicates Z: 37 42.010 1.996 0.869 0.931 0.944 0.500 CB 1.389 26 residues pruned to eliminate duplicates Z: 36 34.919 2.051 0.792 0.927 0.829 0.543 CB 1.358 36 residues pruned to eliminate duplicates Z: 18 26.384 2.099 0.730 0.873 0.941 0.647 CB 1.364 18 residues pruned to eliminate duplicates Z: 27 32.591 2.064 1.077 0.868 0.885 0.538 CB 1.232 27 residues pruned to eliminate duplicates Z: 72 74.797 2.072 1.007 0.895 1.000 0.732 CB 1.531 72 residues pruned to eliminate duplicates Z: 18 35.165 2.092 0.962 0.921 1.000 0.588 CB 1.463 18 residues pruned to eliminate duplicates Z: 20 34.831 2.106 1.047 0.919 0.947 0.526 CB 1.378 20 residues pruned to eliminate duplicates Z: 19 39.164 2.026 1.123 0.942 1.000 0.833 CB 1.488 17 residues pruned to eliminate duplicates Z: 19 35.451 2.005 1.104 0.938 1.000 0.556 CB 1.377 19 residues pruned to eliminate duplicates Z: 17 37.929 2.172 1.030 0.944 1.000 0.688 CB 1.489 19 residues pruned to eliminate duplicates Z: 36 51.321 2.009 1.220 0.914 0.971 0.314 CB 1.416 35 residues pruned to eliminate duplicates Z: 27 40.310 2.054 1.091 0.923 0.962 0.615 CB 1.345 27 residues pruned to eliminate duplicates Z: 16 19.533 1.936 0.978 0.618 0.867 0.600 CB 1.359 16 residues pruned to eliminate duplicates Z: 6 3.349 1.459 0.199 0.488 0.800 0.200 O 1.083 Z: 6 3.209 1.369 0.026 0.698 1.000 0.600 CB 0.853 6 residues pruned to eliminate duplicates Z: 21 14.515 1.399 0.522 0.874 0.950 0.700 CB 1.168 21 residues pruned to eliminate duplicates Z: 20 14.860 1.404 0.627 0.902 0.947 0.842 CB 1.124 20 residues pruned to eliminate duplicates Z: 9 7.505 1.469 0.629 0.783 0.875 0.500 CB 0.987 8 residues pruned to eliminate duplicates Z: 10 11.745 1.384 0.848 0.864 1.000 0.889 CB 1.122 10 residues pruned to eliminate duplicates Z: 7 5.366 1.616 0.700 0.408 0.833 0.667 CB 1.054 7 residues pruned to eliminate duplicates Z: 7 2.455 1.420 0.266 0.414 0.667 0.500 CB 0.915 7 residues pruned to eliminate duplicates Z: 11 12.089 1.412 0.615 0.874 1.000 0.800 CB 1.220 11 residues pruned to eliminate duplicates Z: 14 10.444 1.494 0.548 0.610 0.923 0.692 CB 1.222 14 residues pruned to eliminate duplicates Z: 22 11.352 1.436 0.518 0.695 0.905 0.476 CB 1.051 45 residues pruned to eliminate duplicates Z: 12 6.126 1.312 0.226 0.708 0.909 0.545 CB 1.046 Z: 12 9.941 1.360 0.626 0.900 1.000 0.455 CB 0.968 5 residues pruned to eliminate duplicates Z: 14 12.713 1.402 0.614 0.908 1.000 0.615 CB 1.107 14 residues pruned to eliminate duplicates Z: 15 10.584 1.370 0.607 0.879 0.929 0.500 CB 1.003 15 residues pruned to eliminate duplicates Z: 6 4.998 1.409 0.146 0.843 1.000 0.800 CA 1.031 6 residues pruned to eliminate duplicates Z: 8 3.942 1.429 0.319 0.833 0.857 0.714 CB 0.692 Z: 9 6.229 1.453 0.208 0.830 0.875 0.875 CB 1.079 6 residues pruned to eliminate duplicates Z: 10 6.177 1.356 0.302 0.848 1.000 0.778 CB 0.865 9 residues pruned to eliminate duplicates Z: 6 4.290 1.347 0.257 0.868 1.000 0.800 O 0.829 5 residues pruned to eliminate duplicates Z: 6 4.872 1.358 0.384 0.837 1.000 1.000 O 0.867 6 residues pruned to eliminate duplicates Z: 37 30.455 1.779 0.525 0.918 1.000 0.889 CB 1.320 37 residues pruned to eliminate duplicates Z: 26 24.904 1.733 0.528 0.823 1.000 0.880 CA 1.421 26 residues pruned to eliminate duplicates Z: 32 26.257 1.807 0.637 0.828 0.968 0.806 CB 1.241 32 residues pruned to eliminate duplicates Z: 9 8.120 1.494 0.622 0.680 0.875 0.750 N 1.148 9 residues pruned to eliminate duplicates Z: 9 7.531 1.495 0.767 0.684 0.750 0.625 CB 1.135 9 residues pruned to eliminate duplicates Z: 56 42.579 1.970 0.608 0.876 0.982 0.782 CB 1.342 56 residues pruned to eliminate duplicates Z: 22 13.718 1.569 0.451 0.762 0.905 0.714 CB 1.151 22 residues pruned to eliminate duplicates Z: 31 27.701 1.795 0.693 0.869 0.967 0.733 CB 1.258 31 residues pruned to eliminate duplicates Z: 19 15.775 1.650 0.589 0.812 0.889 0.500 CB 1.216 19 residues pruned to eliminate duplicates Z: 55 40.092 1.983 0.600 0.805 0.963 0.796 CB 1.369 55 residues pruned to eliminate duplicates Z: 14 11.065 1.549 0.608 0.625 0.846 0.769 CA 1.295 14 residues pruned to eliminate duplicates Z: 31 30.509 1.818 0.827 0.842 0.967 0.700 CB 1.293 32 residues pruned to eliminate duplicates Z: 37 32.548 1.796 0.636 0.916 1.000 0.778 CB 1.304 36 residues pruned to eliminate duplicates Z: 37 32.932 1.789 0.837 0.882 1.000 0.778 CB 1.208 37 residues pruned to eliminate duplicates Z: 23 18.698 1.845 0.588 0.673 0.909 0.818 CB 1.276 23 residues pruned to eliminate duplicates Z: 21 21.701 1.846 0.822 0.756 0.950 0.700 CB 1.209 21 residues pruned to eliminate duplicates Z: 49 41.703 2.020 0.630 0.845 0.979 0.854 CB 1.388 49 residues pruned to eliminate duplicates Z: 24 19.548 1.842 0.675 0.746 0.870 0.652 CB 1.220 24 residues pruned to eliminate duplicates Z: 26 22.175 1.804 0.705 0.758 0.920 0.640 CB 1.246 26 residues pruned to eliminate duplicates Z: 50 38.045 2.008 0.483 0.866 0.980 0.878 CB 1.365 50 residues pruned to eliminate duplicates Z: 15 22.970 1.937 0.737 0.791 1.000 0.714 CB 1.412 15 residues pruned to eliminate duplicates Z: 50 36.887 1.975 0.678 0.792 0.918 0.653 CB 1.339 50 residues pruned to eliminate duplicates Z: 50 36.698 1.993 0.443 0.879 0.980 0.837 CB 1.350 50 residues pruned to eliminate duplicates Z: 51 40.830 1.979 0.647 0.829 0.980 0.720 CB 1.360 51 residues pruned to eliminate duplicates Z: 52 42.142 2.002 0.707 0.858 0.980 0.784 CB 1.296 52 residues pruned to eliminate duplicates Z: 22 20.083 1.816 0.612 0.793 1.000 0.619 CB 1.158 22 residues pruned to eliminate duplicates Z: 23 18.898 1.836 0.546 0.740 0.909 0.727 CB 1.260 23 residues pruned to eliminate duplicates Z: 47 41.469 2.054 0.591 0.880 0.978 0.674 CB 1.386 47 residues pruned to eliminate duplicates Z: 49 40.044 2.045 0.533 0.866 0.979 0.771 CB 1.378 49 residues pruned to eliminate duplicates Z: 61 44.853 1.968 0.615 0.859 1.000 0.750 CB 1.341 61 residues pruned to eliminate duplicates Z: 33 30.143 2.044 0.583 0.806 0.969 0.781 CB 1.302 33 residues pruned to eliminate duplicates Z: 46 42.291 2.031 0.711 0.869 0.978 0.733 CB 1.356 46 residues pruned to eliminate duplicates Z: 53 40.577 1.995 0.555 0.860 0.981 0.731 CB 1.360 53 residues pruned to eliminate duplicates Z: 50 41.416 2.016 0.675 0.843 0.959 0.755 CB 1.360 50 residues pruned to eliminate duplicates Z: 57 39.162 1.956 0.581 0.822 0.964 0.714 CB 1.328 57 residues pruned to eliminate duplicates Z: 60 39.971 1.929 0.640 0.850 0.932 0.763 CB 1.307 60 residues pruned to eliminate duplicates Z: 52 42.239 2.019 0.657 0.847 0.961 0.765 CB 1.367 52 residues pruned to eliminate duplicates Z: 33 27.859 2.082 0.564 0.770 0.938 0.750 CB 1.270 33 residues pruned to eliminate duplicates Z: 53 39.576 1.980 0.623 0.859 0.981 0.827 CB 1.282 53 residues pruned to eliminate duplicates Z: 51 39.770 2.001 0.651 0.825 0.980 0.780 CB 1.311 51 residues pruned to eliminate duplicates Z: 49 40.343 2.044 0.513 0.857 0.979 0.833 CB 1.416 49 residues pruned to eliminate duplicates Z: 100 60.506 1.995 0.752 0.792 0.960 0.737 CB 1.404 115 residues pruned to eliminate duplicates Z: 23 27.101 2.148 0.279 0.943 1.000 0.864 CA 1.458 23 residues pruned to eliminate duplicates Z: 53 41.000 2.001 0.587 0.862 1.000 0.750 CB 1.314 53 residues pruned to eliminate duplicates Z: 52 41.784 1.991 0.668 0.826 0.961 0.706 CB 1.383 52 residues pruned to eliminate duplicates Z: 60 44.854 1.960 0.689 0.873 0.966 0.763 CB 1.329 60 residues pruned to eliminate duplicates Z: 50 40.393 2.004 0.717 0.847 0.980 0.714 CB 1.271 50 residues pruned to eliminate duplicates Z: 60 40.460 1.964 0.608 0.810 0.949 0.763 CB 1.341 60 residues pruned to eliminate duplicates Z: 56 42.013 1.963 0.714 0.800 0.945 0.691 CB 1.370 56 residues pruned to eliminate duplicates Z: 50 48.564 2.039 0.838 0.875 0.980 0.714 CB 1.374 50 residues pruned to eliminate duplicates Z: 50 44.038 2.033 0.716 0.855 1.000 0.776 CB 1.331 50 residues pruned to eliminate duplicates Z: 58 36.624 1.950 0.608 0.786 0.930 0.649 CB 1.294 58 residues pruned to eliminate duplicates Z: 53 42.046 2.003 0.736 0.820 0.962 0.712 CB 1.321 53 residues pruned to eliminate duplicates Z: 55 42.413 1.991 0.735 0.841 0.981 0.685 CB 1.269 55 residues pruned to eliminate duplicates Z: 51 41.158 2.026 0.734 0.848 0.960 0.640 CB 1.281 51 residues pruned to eliminate duplicates Z: 56 43.839 2.004 0.738 0.880 1.000 0.764 CB 1.229 56 residues pruned to eliminate duplicates Z: 55 41.954 2.012 0.789 0.853 0.963 0.704 CB 1.218 55 residues pruned to eliminate duplicates Z: 54 31.515 1.927 0.673 0.739 0.887 0.566 CB 1.223 54 residues pruned to eliminate duplicates Z: 56 44.567 2.012 0.780 0.876 0.964 0.764 CB 1.266 56 residues pruned to eliminate duplicates Z: 60 47.744 1.969 0.866 0.887 0.966 0.610 CB 1.263 60 residues pruned to eliminate duplicates Z: 69 45.172 1.916 0.766 0.857 0.956 0.632 CB 1.248 69 residues pruned to eliminate duplicates Z: 62 47.862 1.950 0.926 0.850 0.967 0.672 CB 1.250 62 residues pruned to eliminate duplicates Z: 63 47.779 1.972 0.850 0.870 0.968 0.581 CB 1.255 63 residues pruned to eliminate duplicates Z: 58 40.477 1.947 0.865 0.817 0.912 0.439 CB 1.229 58 residues pruned to eliminate duplicates Z: 52 43.480 1.971 0.908 0.815 0.980 0.490 CB 1.256 52 residues pruned to eliminate duplicates Z: 60 50.729 1.998 0.852 0.866 0.983 0.695 CB 1.329 60 residues pruned to eliminate duplicates Z: 11 16.759 1.740 0.827 0.845 0.900 0.700 CB 1.377 Z: 36 44.378 1.960 1.118 0.939 1.000 0.429 CB 1.256 47 residues pruned to eliminate duplicates Z: 62 47.591 1.956 0.880 0.851 0.984 0.508 CB 1.247 62 residues pruned to eliminate duplicates Z: 11 9.873 1.583 0.379 0.695 1.000 0.600 CA 1.197 11 residues pruned to eliminate duplicates Z: 16 7.417 1.431 0.620 0.607 0.733 0.600 CB 1.018 16 residues pruned to eliminate duplicates Z: 14 8.997 1.485 0.409 0.601 0.923 0.462 CA 1.173 14 residues pruned to eliminate duplicates Z: 12 8.179 1.469 0.317 0.632 0.909 0.545 CB 1.239 12 residues pruned to eliminate duplicates Z: 15 8.878 1.388 0.500 0.721 0.929 0.429 CB 1.006 11 residues pruned to eliminate duplicates Z: 20 19.130 1.568 0.628 0.917 1.000 0.895 CB 1.214 20 residues pruned to eliminate duplicates Z: 15 8.349 1.530 0.607 0.567 0.786 0.643 CB 1.083 15 residues pruned to eliminate duplicates Z: 24 15.839 1.498 0.700 0.784 0.913 0.696 CB 1.106 24 residues pruned to eliminate duplicates Z: 28 18.114 1.553 0.590 0.817 0.963 0.741 CB 1.113 29 residues pruned to eliminate duplicates Z: 27 19.384 1.549 0.555 0.889 0.923 0.731 CA 1.231 26 residues pruned to eliminate duplicates Z: 26 22.358 1.544 0.679 0.945 1.000 0.840 CA 1.194 27 residues pruned to eliminate duplicates Z: 25 16.387 1.533 0.482 0.895 1.000 0.667 CB 1.055 25 residues pruned to eliminate duplicates Z: 24 15.200 1.519 0.557 0.749 0.957 0.696 CB 1.122 24 residues pruned to eliminate duplicates Z: 25 14.256 1.500 0.571 0.764 0.833 0.667 CB 1.172 24 residues pruned to eliminate duplicates Z: 16 13.894 1.559 0.384 0.924 1.000 0.800 CB 1.168 17 residues pruned to eliminate duplicates Z: 19 15.508 1.589 0.550 0.859 1.000 0.667 CB 1.092 19 residues pruned to eliminate duplicates Z: 13 11.249 1.565 0.350 0.868 1.000 0.750 CB 1.124 12 residues pruned to eliminate duplicates Z: 10 8.865 1.551 0.453 0.854 1.000 0.667 CB 0.969 10 residues pruned to eliminate duplicates Z: 13 9.626 1.562 0.348 0.756 0.917 0.750 CB 1.146 13 residues pruned to eliminate duplicates Z: 13 10.949 1.540 0.423 0.860 1.000 0.750 CB 1.061 13 residues pruned to eliminate duplicates Z: 14 9.060 1.457 0.436 0.742 0.923 0.692 CB 1.047 13 residues pruned to eliminate duplicates Z: 14 10.894 1.479 0.497 0.810 0.923 0.692 CB 1.129 14 residues pruned to eliminate duplicates Z: 13 10.678 1.523 0.556 0.757 0.917 0.833 CB 1.128 13 residues pruned to eliminate duplicates Z: 14 12.122 1.538 0.607 0.724 0.923 0.692 CB 1.204 15 residues pruned to eliminate duplicates Z: 29 37.623 2.137 0.690 0.930 1.000 0.964 CA 1.377 29 residues pruned to eliminate duplicates Z: 62 58.665 2.068 0.854 0.858 0.984 0.852 CA 1.468 62 residues pruned to eliminate duplicates Z: 80 54.438 2.029 0.790 0.766 0.937 0.684 CB 1.422 81 residues pruned to eliminate duplicates Z: 31 42.981 2.072 0.952 0.932 1.000 0.933 CA 1.355 31 residues pruned to eliminate duplicates Z: 52 46.867 2.062 0.749 0.782 0.941 0.804 CA 1.508 52 residues pruned to eliminate duplicates Z: 30 51.089 2.155 1.060 0.950 1.000 0.828 CA 1.474 30 residues pruned to eliminate duplicates Z: 51 47.890 2.084 0.755 0.801 0.960 0.760 CA 1.482 51 residues pruned to eliminate duplicates Z: 30 54.542 2.136 1.204 0.958 1.000 0.897 CA 1.475 30 residues pruned to eliminate duplicates Z: 18 27.918 2.046 0.947 0.778 0.882 0.706 CA 1.508 18 residues pruned to eliminate duplicates Z: 31 53.820 2.138 1.247 0.917 0.967 0.833 CA 1.493 31 residues pruned to eliminate duplicates Z: 54 55.802 2.053 0.973 0.827 0.981 0.717 CB 1.453 54 residues pruned to eliminate duplicates Z: 54 55.362 2.098 0.866 0.818 1.000 0.736 CA 1.473 54 residues pruned to eliminate duplicates Z: 58 54.479 2.058 0.868 0.828 0.930 0.807 CB 1.520 58 residues pruned to eliminate duplicates Z: 61 55.192 2.054 0.863 0.850 0.950 0.667 CB 1.453 61 residues pruned to eliminate duplicates Z: 32 47.010 2.086 1.157 0.890 0.935 0.645 CA 1.443 32 residues pruned to eliminate duplicates Z: 54 57.131 2.065 1.025 0.824 0.943 0.642 CB 1.502 54 residues pruned to eliminate duplicates Z: 31 55.450 2.133 1.258 0.919 1.000 0.700 CB 1.482 31 residues pruned to eliminate duplicates Z: 34 45.446 2.094 1.050 0.835 0.970 0.667 CB 1.423 34 residues pruned to eliminate duplicates Z: 52 53.757 2.052 0.956 0.779 0.961 0.647 CB 1.527 52 residues pruned to eliminate duplicates Z: 30 54.414 2.129 1.208 0.930 1.000 0.759 CB 1.504 30 residues pruned to eliminate duplicates Z: 54 58.926 2.071 1.028 0.835 1.000 0.792 CB 1.443 54 residues pruned to eliminate duplicates Z: 31 52.663 2.099 1.260 0.919 0.967 0.633 CB 1.478 31 residues pruned to eliminate duplicates Z: 36 44.807 2.080 1.028 0.823 0.971 0.800 CB 1.398 36 residues pruned to eliminate duplicates Z: 41 39.638 2.096 0.754 0.781 0.925 0.825 CA 1.439 41 residues pruned to eliminate duplicates Z: 51 48.365 2.064 0.820 0.807 0.920 0.800 CA 1.514 51 residues pruned to eliminate duplicates Z: 30 49.439 2.154 1.019 0.946 1.000 0.897 CA 1.459 30 residues pruned to eliminate duplicates Z: 55 51.396 2.070 0.833 0.816 0.963 0.741 CA 1.455 55 residues pruned to eliminate duplicates Z: 29 49.203 2.175 1.063 0.955 1.000 0.929 CA 1.424 29 residues pruned to eliminate duplicates Z: 55 52.234 2.081 0.861 0.825 0.944 0.833 CA 1.467 55 residues pruned to eliminate duplicates Z: 41 43.887 2.115 0.897 0.794 0.925 0.775 CA 1.444 41 residues pruned to eliminate duplicates Z: 21 25.320 2.010 0.537 0.735 1.000 0.800 CA 1.484 21 residues pruned to eliminate duplicates Z: 61 57.244 2.074 0.838 0.864 0.967 0.800 CB 1.470 61 residues pruned to eliminate duplicates Z: 24 28.698 2.004 0.702 0.768 0.957 0.826 CA 1.447 24 residues pruned to eliminate duplicates Z: 62 56.407 2.062 0.805 0.852 0.967 0.787 CA 1.485 62 residues pruned to eliminate duplicates Z: 54 54.202 2.087 0.774 0.844 0.981 0.755 CA 1.525 54 residues pruned to eliminate duplicates Z: 44 49.061 2.065 0.867 0.830 0.977 0.767 CB 1.493 44 residues pruned to eliminate duplicates Z: 24 27.980 1.983 0.635 0.801 1.000 0.870 CB 1.384 24 residues pruned to eliminate duplicates Z: 55 52.759 2.072 0.938 0.834 0.963 0.741 CA 1.391 55 residues pruned to eliminate duplicates Z: 25 29.670 1.986 0.710 0.844 0.958 0.833 CB 1.385 25 residues pruned to eliminate duplicates Z: 59 51.208 2.060 0.798 0.830 0.914 0.690 CA 1.495 59 residues pruned to eliminate duplicates Z: 61 59.998 2.086 0.838 0.856 0.983 0.750 CA 1.514 62 residues pruned to eliminate duplicates Z: 29 35.407 1.920 0.657 0.908 1.000 0.821 CA 1.494 29 residues pruned to eliminate duplicates Z: 27 28.972 1.959 0.775 0.766 0.923 0.577 CB 1.399 27 residues pruned to eliminate duplicates Z: 24 25.523 1.919 0.797 0.709 0.957 0.522 CB 1.335 24 residues pruned to eliminate duplicates Z: 27 27.445 1.944 0.873 0.680 0.885 0.462 CB 1.416 27 residues pruned to eliminate duplicates Z: 62 57.113 2.038 0.817 0.838 0.984 0.656 CA 1.501 62 residues pruned to eliminate duplicates Z: 54 52.424 2.103 0.808 0.847 0.981 0.792 CA 1.432 54 residues pruned to eliminate duplicates Z: 33 29.544 1.927 0.616 0.782 0.969 0.656 CB 1.350 33 residues pruned to eliminate duplicates Z: 32 28.804 1.941 0.620 0.815 0.903 0.742 CB 1.385 32 residues pruned to eliminate duplicates Z: 32 31.835 1.953 0.774 0.809 0.903 0.677 CB 1.396 32 residues pruned to eliminate duplicates Z: 12 20.705 1.964 0.844 0.932 1.000 0.545 CB 1.204 13 residues pruned to eliminate duplicates Z: 21 24.579 1.882 0.790 0.926 0.950 0.550 CB 1.204 19 residues pruned to eliminate duplicates Z: 12 17.310 1.855 0.669 0.921 1.000 0.909 CB 1.187 12 residues pruned to eliminate duplicates Z: 28 27.275 1.902 0.757 0.890 0.963 0.593 CB 1.173 28 residues pruned to eliminate duplicates Z: 62 55.328 1.977 0.971 0.846 0.951 0.721 CB 1.421 62 residues pruned to eliminate duplicates Z: 30 35.347 2.042 0.741 0.866 0.966 0.552 CB 1.399 30 residues pruned to eliminate duplicates Z: 19 20.513 1.945 0.641 0.845 0.889 0.611 CB 1.267 19 residues pruned to eliminate duplicates Z: 32 30.405 1.970 0.645 0.879 0.935 0.613 CB 1.306 32 residues pruned to eliminate duplicates Z: 29 20.923 1.895 0.757 0.690 0.929 0.679 CB 1.075 29 residues pruned to eliminate duplicates Z: 34 29.054 1.910 0.634 0.798 0.939 0.515 CB 1.329 34 residues pruned to eliminate duplicates Z: 55 45.416 2.015 0.633 0.797 0.944 0.741 CB 1.533 55 residues pruned to eliminate duplicates Z: 32 41.208 2.129 0.704 0.850 0.968 0.839 CB 1.561 32 residues pruned to eliminate duplicates Z: 42 37.105 2.049 0.618 0.715 0.951 0.707 CB 1.514 42 residues pruned to eliminate duplicates Z: 36 40.753 2.090 0.653 0.803 0.971 0.829 CB 1.575 36 residues pruned to eliminate duplicates Z: 53 40.870 1.995 0.760 0.802 0.865 0.712 CB 1.432 53 residues pruned to eliminate duplicates Z: 35 38.782 2.024 0.709 0.819 0.971 0.735 CB 1.501 35 residues pruned to eliminate duplicates Z: 33 42.298 2.114 0.927 0.851 0.938 0.781 CB 1.449 33 residues pruned to eliminate duplicates Z: 35 37.899 2.064 0.799 0.786 0.882 0.706 CB 1.543 35 residues pruned to eliminate duplicates Z: 33 41.100 2.103 0.703 0.833 0.969 0.875 CB 1.571 33 residues pruned to eliminate duplicates Z: 34 40.912 2.067 0.815 0.804 0.939 0.758 CB 1.549 34 residues pruned to eliminate duplicates Z: 35 39.535 2.052 0.800 0.772 0.971 0.706 CB 1.487 35 residues pruned to eliminate duplicates Z: 55 51.058 2.018 0.811 0.788 0.963 0.667 CB 1.534 55 residues pruned to eliminate duplicates Z: 59 44.087 1.947 0.803 0.736 0.914 0.655 CB 1.460 59 residues pruned to eliminate duplicates Z: 52 50.645 2.054 0.821 0.839 0.961 0.706 CB 1.474 52 residues pruned to eliminate duplicates Z: 55 44.336 2.018 0.683 0.782 0.926 0.759 CB 1.496 55 residues pruned to eliminate duplicates Z: 58 43.913 1.956 0.816 0.761 0.912 0.737 CB 1.423 58 residues pruned to eliminate duplicates Z: 34 37.065 2.077 0.585 0.828 0.970 0.727 CB 1.522 34 residues pruned to eliminate duplicates Z: 45 33.230 1.930 0.652 0.696 0.932 0.682 CB 1.410 45 residues pruned to eliminate duplicates Z: 33 37.496 2.110 0.640 0.821 0.969 0.750 CB 1.496 33 residues pruned to eliminate duplicates Z: 51 27.756 1.823 0.678 0.630 0.880 0.640 CB 1.290 51 residues pruned to eliminate duplicates Z: 46 34.344 1.933 0.701 0.651 0.956 0.711 CB 1.416 46 residues pruned to eliminate duplicates Z: 45 36.382 1.996 0.628 0.714 0.955 0.682 CB 1.456 45 residues pruned to eliminate duplicates Z: 35 41.275 2.109 0.729 0.816 0.971 0.765 CB 1.519 35 residues pruned to eliminate duplicates Z: 53 48.832 2.034 0.796 0.812 0.942 0.750 CB 1.500 53 residues pruned to eliminate duplicates Z: 36 41.472 2.102 0.733 0.798 0.943 0.829 CB 1.574 36 residues pruned to eliminate duplicates Z: 56 46.063 1.996 0.780 0.760 0.964 0.800 CB 1.440 56 residues pruned to eliminate duplicates Z: 41 39.252 2.054 0.695 0.745 0.950 0.725 CB 1.507 41 residues pruned to eliminate duplicates Z: 55 50.415 2.033 0.836 0.791 0.944 0.778 CB 1.508 55 residues pruned to eliminate duplicates Z: 44 40.530 1.999 0.845 0.691 0.930 0.721 CB 1.513 44 residues pruned to eliminate duplicates Z: 56 46.256 2.012 0.837 0.745 0.909 0.709 CB 1.491 56 residues pruned to eliminate duplicates Z: 45 32.832 1.941 0.728 0.655 0.886 0.614 CB 1.442 45 residues pruned to eliminate duplicates Z: 24 24.756 1.902 0.902 0.677 0.826 0.739 CB 1.468 24 residues pruned to eliminate duplicates Z: 8 3.535 1.960 0.359 0.280 0.571 0.286 CB 1.125 8 residues pruned to eliminate duplicates Z: 38 31.174 2.025 0.677 0.745 0.865 0.730 CB 1.402 38 residues pruned to eliminate duplicates Z: 39 39.933 2.060 0.719 0.773 0.947 0.842 CB 1.517 39 residues pruned to eliminate duplicates Z: 21 21.091 1.839 0.932 0.674 0.850 0.650 CA 1.330 21 residues pruned to eliminate duplicates Z: 24 27.869 1.933 0.812 0.752 0.957 0.826 CB 1.386 24 residues pruned to eliminate duplicates Z: 24 24.708 1.873 0.814 0.761 0.913 0.739 CA 1.318 24 residues pruned to eliminate duplicates Z: 54 50.976 2.038 0.754 0.809 0.962 0.792 CB 1.555 54 residues pruned to eliminate duplicates Z: 23 26.652 1.909 0.838 0.759 0.909 0.864 CB 1.415 23 residues pruned to eliminate duplicates Z: 53 43.882 1.963 0.788 0.738 0.942 0.750 CB 1.487 53 residues pruned to eliminate duplicates Z: 42 29.900 1.940 0.645 0.640 0.927 0.659 CB 1.385 42 residues pruned to eliminate duplicates Z: 111 62.702 1.978 0.834 0.779 0.927 0.636 CB 1.390 108 residues pruned to eliminate duplicates Z: 21 29.703 1.788 0.940 0.864 1.000 0.650 CA 1.404 21 residues pruned to eliminate duplicates Z: 15 19.136 1.657 1.042 0.879 0.857 0.500 CB 1.278 15 residues pruned to eliminate duplicates Z: 57 48.104 1.996 0.831 0.753 0.964 0.661 CB 1.456 57 residues pruned to eliminate duplicates Z: 53 48.773 2.036 0.835 0.814 0.942 0.673 CB 1.462 53 residues pruned to eliminate duplicates Z: 56 47.844 2.004 0.855 0.780 0.945 0.673 CB 1.434 56 residues pruned to eliminate duplicates Z: 54 53.644 2.025 0.893 0.811 0.962 0.736 CB 1.524 54 residues pruned to eliminate duplicates Z: 55 49.130 2.010 0.867 0.792 0.926 0.759 CB 1.489 55 residues pruned to eliminate duplicates Z: 49 40.738 1.962 0.913 0.812 1.000 0.708 CB 1.195 49 residues pruned to eliminate duplicates Z: 59 47.714 1.980 0.830 0.795 0.966 0.724 CB 1.383 56 residues pruned to eliminate duplicates Z: 11 9.576 1.652 0.544 0.902 1.000 0.800 CB 0.847 9 residues pruned to eliminate duplicates Z: 27 28.930 1.796 0.933 0.913 0.923 0.692 CB 1.254 25 residues pruned to eliminate duplicates Z: 13 10.095 1.662 0.543 0.896 0.917 0.833 CB 0.888 13 residues pruned to eliminate duplicates Z: 8 8.342 1.603 0.634 0.884 1.000 1.000 CB 0.870 8 residues pruned to eliminate duplicates Z: 59 43.538 1.925 0.722 0.768 0.931 0.707 CB 1.461 59 residues pruned to eliminate duplicates Z: 7 7.446 1.474 0.850 0.725 0.833 0.833 N 1.092 7 residues pruned to eliminate duplicates Z: 6 4.409 1.292 0.143 0.852 1.000 0.600 N 0.988 6 residues pruned to eliminate duplicates Z: 10 6.515 1.332 0.413 0.800 0.889 0.778 CB 0.998 10 residues pruned to eliminate duplicates Z: 8 6.850 1.455 0.370 0.739 1.000 0.571 CB 1.048 8 residues pruned to eliminate duplicates Z: 10 6.303 1.371 0.303 0.722 1.000 0.667 N 0.963 10 residues pruned to eliminate duplicates Z: 7 4.655 1.383 0.264 0.817 0.833 0.500 N 0.990 7 residues pruned to eliminate duplicates Z: 9 4.891 1.373 0.127 0.746 0.875 0.625 N 1.025 9 residues pruned to eliminate duplicates Z: 10 6.637 1.397 0.217 0.801 1.000 0.556 CB 1.000 10 residues pruned to eliminate duplicates Z: 15 10.778 1.408 0.339 0.802 1.000 0.786 CB 1.173 15 residues pruned to eliminate duplicates Z: 15 11.549 1.489 0.335 0.843 1.000 0.786 CB 1.156 15 residues pruned to eliminate duplicates Z: 46 25.381 1.708 0.392 0.816 0.956 0.733 CB 1.265 46 residues pruned to eliminate duplicates Z: 8 6.788 1.365 0.668 0.755 0.857 0.429 CB 1.048 8 residues pruned to eliminate duplicates Z: 53 27.896 1.765 0.450 0.775 0.942 0.788 CB 1.258 53 residues pruned to eliminate duplicates Z: 17 12.959 1.507 0.432 0.811 0.938 0.812 CA 1.222 17 residues pruned to eliminate duplicates Z: 26 19.469 1.718 0.440 0.715 0.920 0.760 CB 1.407 26 residues pruned to eliminate duplicates Z: 40 27.459 1.783 0.566 0.775 0.949 0.795 CB 1.302 40 residues pruned to eliminate duplicates Z: 52 37.180 1.847 0.558 0.869 1.000 0.843 CB 1.321 52 residues pruned to eliminate duplicates Z: 39 21.880 1.792 0.147 0.821 1.000 0.816 CB 1.308 39 residues pruned to eliminate duplicates Z: 45 31.059 1.809 0.521 0.813 0.977 0.818 CB 1.327 45 residues pruned to eliminate duplicates Z: 37 27.119 1.811 0.402 0.853 0.972 0.833 CB 1.354 37 residues pruned to eliminate duplicates Z: 26 21.879 1.731 0.606 0.785 0.920 0.840 CB 1.331 26 residues pruned to eliminate duplicates Z: 38 28.068 1.815 0.473 0.843 1.000 0.811 CB 1.285 38 residues pruned to eliminate duplicates Z: 42 28.021 1.819 0.492 0.818 0.927 0.780 CB 1.320 42 residues pruned to eliminate duplicates Z: 35 22.271 1.804 0.620 0.679 0.882 0.676 CB 1.257 35 residues pruned to eliminate duplicates Z: 25 20.266 1.746 0.492 0.740 0.958 0.750 CB 1.336 25 residues pruned to eliminate duplicates Z: 28 20.736 1.783 0.632 0.723 0.889 0.704 CB 1.261 28 residues pruned to eliminate duplicates Z: 40 28.371 1.793 0.647 0.740 0.974 0.641 CB 1.273 40 residues pruned to eliminate duplicates Z: 34 19.633 1.785 0.519 0.633 0.848 0.667 CB 1.312 34 residues pruned to eliminate duplicates Z: 50 28.148 1.762 0.447 0.823 0.939 0.776 CB 1.270 50 residues pruned to eliminate duplicates Z: 44 25.571 1.775 0.467 0.800 0.953 0.744 CB 1.208 44 residues pruned to eliminate duplicates Z: 50 29.900 1.767 0.531 0.838 0.939 0.837 CB 1.257 50 residues pruned to eliminate duplicates Z: 55 34.513 1.799 0.575 0.812 0.981 0.741 CB 1.287 55 residues pruned to eliminate duplicates Z: 44 32.537 1.784 0.619 0.827 1.000 0.884 CB 1.294 44 residues pruned to eliminate duplicates Z: 28 24.054 1.891 0.603 0.782 0.963 0.815 CB 1.237 28 residues pruned to eliminate duplicates Z: 43 22.918 1.729 0.655 0.689 0.905 0.643 CB 1.150 43 residues pruned to eliminate duplicates Z: 35 23.282 1.757 0.704 0.678 0.941 0.588 CB 1.203 35 residues pruned to eliminate duplicates Z: 44 30.949 1.806 0.637 0.785 0.930 0.605 CB 1.336 44 residues pruned to eliminate duplicates Z: 42 27.242 1.805 0.397 0.822 0.976 0.805 CA 1.308 42 residues pruned to eliminate duplicates Z: 38 32.931 1.821 0.706 0.827 1.000 0.757 CB 1.314 38 residues pruned to eliminate duplicates Z: 28 25.110 1.896 0.750 0.740 0.926 0.704 CB 1.268 28 residues pruned to eliminate duplicates Z: 37 23.119 1.776 0.509 0.721 0.944 0.639 CB 1.247 37 residues pruned to eliminate duplicates Z: 41 29.692 1.813 0.620 0.813 0.950 0.700 CB 1.281 41 residues pruned to eliminate duplicates Z: 48 36.029 1.846 0.741 0.810 0.957 0.787 CB 1.304 48 residues pruned to eliminate duplicates Z: 45 33.324 1.816 0.719 0.819 0.977 0.727 CB 1.248 45 residues pruned to eliminate duplicates Z: 58 38.344 1.816 0.608 0.857 0.982 0.789 CB 1.304 58 residues pruned to eliminate duplicates Z: 46 30.830 1.818 0.671 0.794 0.911 0.711 CB 1.283 46 residues pruned to eliminate duplicates Z: 54 33.870 1.779 0.638 0.831 0.943 0.623 CB 1.272 54 residues pruned to eliminate duplicates Z: 16 19.251 1.852 0.715 0.794 0.933 0.533 CB 1.297 16 residues pruned to eliminate duplicates Z: 60 32.355 1.733 0.651 0.773 0.932 0.661 CB 1.241 60 residues pruned to eliminate duplicates Z: 55 34.427 1.802 0.632 0.781 0.944 0.704 CB 1.316 55 residues pruned to eliminate duplicates Z: 19 22.081 1.810 0.533 0.872 0.944 0.722 CB 1.448 19 residues pruned to eliminate duplicates Z: 21 19.969 1.790 0.529 0.782 0.950 0.700 CB 1.340 21 residues pruned to eliminate duplicates Z: 18 22.978 1.843 0.548 0.913 1.000 0.824 CB 1.383 18 residues pruned to eliminate duplicates Z: 57 40.003 1.821 0.658 0.891 1.000 0.679 CB 1.273 57 residues pruned to eliminate duplicates Z: 21 21.650 1.776 0.655 0.784 0.900 0.750 CB 1.425 21 residues pruned to eliminate duplicates Z: 20 24.050 1.834 0.709 0.833 0.895 0.526 CB 1.476 20 residues pruned to eliminate duplicates Z: 49 28.430 1.783 0.791 0.625 0.812 0.417 CB 1.407 49 residues pruned to eliminate duplicates Z: 65 35.315 1.762 0.679 0.846 0.953 0.703 CB 1.163 65 residues pruned to eliminate duplicates Z: 20 24.248 1.789 0.896 0.823 0.947 0.579 CB 1.309 20 residues pruned to eliminate duplicates Z: 40 25.837 1.807 0.716 0.668 0.872 0.590 CB 1.311 40 residues pruned to eliminate duplicates Z: 19 23.347 1.802 0.813 0.879 0.889 0.722 CB 1.374 19 residues pruned to eliminate duplicates Z: 20 25.923 1.811 0.917 0.812 0.947 0.474 CB 1.377 20 residues pruned to eliminate duplicates Z: 20 26.754 1.809 0.930 0.845 0.947 0.526 CB 1.379 20 residues pruned to eliminate duplicates Z: 22 22.307 1.778 0.837 0.883 0.952 0.619 CB 1.131 22 residues pruned to eliminate duplicates Z: 19 24.595 1.815 0.865 0.872 0.944 0.556 CB 1.322 19 residues pruned to eliminate duplicates Z: 23 32.896 2.090 0.584 0.936 1.000 0.864 CA 1.474 23 residues pruned to eliminate duplicates Z: 38 31.292 1.987 0.553 0.756 0.919 0.757 CA 1.445 38 residues pruned to eliminate duplicates Z: 25 31.459 1.971 0.678 0.833 0.917 0.833 CA 1.590 25 residues pruned to eliminate duplicates Z: 28 36.801 2.017 0.822 0.921 0.963 0.778 CA 1.408 28 residues pruned to eliminate duplicates Z: 28 37.494 2.009 0.840 0.899 0.926 0.889 CA 1.507 28 residues pruned to eliminate duplicates Z: 35 28.923 1.903 0.794 0.711 0.882 0.735 CA 1.359 35 residues pruned to eliminate duplicates Z: 49 52.256 2.071 0.670 0.876 1.000 0.812 CB 1.584 25 residues pruned to eliminate duplicates Z: 22 38.689 2.089 0.728 0.943 1.000 0.857 CB 1.621 22 residues pruned to eliminate duplicates Z: 29 34.378 1.959 0.847 0.858 0.964 0.714 CA 1.371 29 residues pruned to eliminate duplicates Z: 28 38.695 2.011 0.852 0.868 0.963 0.667 CA 1.518 28 residues pruned to eliminate duplicates Z: 43 33.939 1.896 0.692 0.713 0.929 0.690 CB 1.449 43 residues pruned to eliminate duplicates Z: 52 47.782 2.037 0.588 0.859 1.000 0.863 CA 1.522 52 residues pruned to eliminate duplicates Z: 41 39.607 2.011 0.634 0.802 0.975 0.875 CA 1.501 41 residues pruned to eliminate duplicates Z: 25 37.900 2.004 0.865 0.889 0.917 0.708 CA 1.625 25 residues pruned to eliminate duplicates Z: 49 47.951 2.002 0.755 0.830 1.000 0.771 CA 1.481 49 residues pruned to eliminate duplicates Z: 37 36.307 1.912 0.979 0.718 0.889 0.694 CB 1.478 37 residues pruned to eliminate duplicates Z: 27 42.039 2.033 0.962 0.934 0.962 0.962 CA 1.499 27 residues pruned to eliminate duplicates Z: 27 42.956 2.038 0.942 0.913 1.000 0.846 CA 1.507 27 residues pruned to eliminate duplicates Z: 52 49.749 2.030 0.687 0.842 0.961 0.706 CA 1.577 52 residues pruned to eliminate duplicates Z: 27 43.027 2.032 0.954 0.920 0.962 0.769 CA 1.557 27 residues pruned to eliminate duplicates Z: 50 36.952 1.920 0.775 0.707 0.878 0.592 CB 1.463 50 residues pruned to eliminate duplicates Z: 42 47.612 2.010 0.843 0.812 0.976 0.829 CB 1.568 42 residues pruned to eliminate duplicates Z: 26 45.562 2.047 1.028 0.935 1.000 0.840 CA 1.529 26 residues pruned to eliminate duplicates Z: 59 46.779 1.958 0.757 0.746 0.948 0.672 CA 1.510 59 residues pruned to eliminate duplicates Z: 43 42.341 1.989 0.770 0.802 0.929 0.762 CA 1.535 43 residues pruned to eliminate duplicates Z: 29 23.171 1.876 0.576 0.686 0.929 0.643 CA 1.344 29 residues pruned to eliminate duplicates Z: 22 29.049 2.100 0.516 0.859 1.000 0.762 CB 1.466 22 residues pruned to eliminate duplicates Z: 21 24.902 2.075 0.451 0.781 0.950 0.700 CB 1.519 21 residues pruned to eliminate duplicates Z: 31 38.151 2.067 0.626 0.861 0.967 0.900 CB 1.576 31 residues pruned to eliminate duplicates Z: 25 30.509 2.068 0.694 0.806 0.917 0.833 CB 1.484 25 residues pruned to eliminate duplicates Z: 26 33.705 2.030 0.828 0.788 0.960 0.760 CB 1.468 26 residues pruned to eliminate duplicates Z: 32 41.359 2.046 0.786 0.860 0.935 0.774 CB 1.597 32 residues pruned to eliminate duplicates Z: 27 30.025 1.982 0.796 0.752 0.923 0.692 CB 1.432 27 residues pruned to eliminate duplicates Z: 26 35.816 2.054 0.840 0.786 0.960 0.680 CB 1.535 26 residues pruned to eliminate duplicates Z: 33 26.713 1.923 0.722 0.677 0.875 0.656 CB 1.385 33 residues pruned to eliminate duplicates Z: 34 34.182 1.930 0.863 0.690 0.939 0.636 CB 1.480 34 residues pruned to eliminate duplicates Z: 33 39.115 1.980 0.850 0.839 0.969 0.688 CB 1.454 33 residues pruned to eliminate duplicates Z: 31 43.437 2.059 0.943 0.856 0.967 0.800 CB 1.512 31 residues pruned to eliminate duplicates Z: 29 30.693 1.963 0.727 0.728 0.893 0.571 CB 1.561 29 residues pruned to eliminate duplicates Z: 24 31.521 1.943 0.955 0.774 0.913 0.739 CB 1.488 24 residues pruned to eliminate duplicates Z: 32 46.304 2.009 1.138 0.838 1.000 0.774 CB 1.447 32 residues pruned to eliminate duplicates Z: 61 67.208 2.065 1.104 0.853 1.000 0.700 CB 1.476 61 residues pruned to eliminate duplicates Z: 30 35.954 1.953 1.085 0.705 0.931 0.552 CB 1.462 30 residues pruned to eliminate duplicates Z: 30 52.299 2.080 1.292 0.899 0.966 0.655 CB 1.508 30 residues pruned to eliminate duplicates Z: 31 42.740 2.047 1.124 0.860 0.967 0.500 CB 1.366 31 residues pruned to eliminate duplicates Z: 32 46.679 2.022 1.361 0.862 0.903 0.484 CB 1.428 32 residues pruned to eliminate duplicates Z: 19 33.355 1.857 1.379 0.804 1.000 0.667 CB 1.365 19 residues pruned to eliminate duplicates Z: 32 45.277 2.033 1.181 0.850 0.968 0.548 CB 1.404 32 residues pruned to eliminate duplicates Z: 62 64.709 2.053 1.107 0.839 0.984 0.738 CB 1.454 62 residues pruned to eliminate duplicates Z: 22 35.631 2.006 1.177 0.844 0.952 0.667 CB 1.391 22 residues pruned to eliminate duplicates Z: 27 45.076 2.075 1.335 0.947 1.000 0.538 CB 1.261 27 residues pruned to eliminate duplicates Z: 58 67.528 2.022 1.173 0.898 0.982 0.509 CB 1.483 36 residues pruned to eliminate duplicates Z: 20 15.565 1.700 0.554 0.740 1.000 0.737 CA 1.090 16 residues pruned to eliminate duplicates Z: 27 27.799 1.827 0.580 0.931 1.000 0.923 CA 1.319 27 residues pruned to eliminate duplicates Z: 27 24.871 1.824 0.478 0.814 1.000 0.885 CA 1.377 27 residues pruned to eliminate duplicates Z: 21 22.983 1.858 0.532 0.798 1.000 0.850 CA 1.391 21 residues pruned to eliminate duplicates Z: 25 20.213 1.781 0.568 0.714 0.958 0.708 CA 1.269 25 residues pruned to eliminate duplicates Z: 25 22.960 1.876 0.378 0.831 0.958 0.917 CA 1.422 25 residues pruned to eliminate duplicates Z: 23 22.915 1.798 0.542 0.755 1.000 0.864 CB 1.404 23 residues pruned to eliminate duplicates Z: 26 19.437 1.720 0.605 0.660 0.920 0.680 CB 1.319 26 residues pruned to eliminate duplicates Z: 28 32.272 1.852 0.855 0.847 1.000 0.815 CB 1.342 28 residues pruned to eliminate duplicates Z: 32 29.274 1.771 0.791 0.784 0.968 0.742 CB 1.334 32 residues pruned to eliminate duplicates Z: 30 30.256 1.811 0.784 0.817 1.000 0.828 CB 1.320 32 residues pruned to eliminate duplicates Z: 27 33.638 1.822 0.794 0.913 1.000 0.923 CB 1.429 27 residues pruned to eliminate duplicates Z: 24 23.322 1.821 0.540 0.723 1.000 0.826 CB 1.417 24 residues pruned to eliminate duplicates Z: 22 20.776 1.803 0.739 0.741 0.905 0.762 CA 1.287 22 residues pruned to eliminate duplicates Z: 20 25.423 1.813 0.725 0.853 1.000 0.947 CA 1.378 20 residues pruned to eliminate duplicates Z: 27 20.015 1.763 0.591 0.663 0.923 0.731 CB 1.304 27 residues pruned to eliminate duplicates Z: 22 23.097 1.810 0.827 0.721 0.905 0.524 CB 1.379 22 residues pruned to eliminate duplicates Z: 31 29.108 1.761 0.897 0.813 0.933 0.800 CB 1.298 31 residues pruned to eliminate duplicates Z: 28 29.131 1.827 0.887 0.813 0.926 0.778 CB 1.337 28 residues pruned to eliminate duplicates Z: 34 30.912 1.785 0.852 0.815 1.000 0.697 CB 1.238 31 residues pruned to eliminate duplicates Z: 29 33.579 1.798 0.952 0.928 1.000 0.786 CB 1.266 29 residues pruned to eliminate duplicates Z: 31 29.270 1.818 0.859 0.799 0.933 0.667 CB 1.304 31 residues pruned to eliminate duplicates Z: 27 36.279 1.874 0.855 0.901 1.000 0.846 CB 1.460 27 residues pruned to eliminate duplicates Z: 29 29.857 1.860 0.880 0.853 0.929 0.786 CB 1.285 29 residues pruned to eliminate duplicates Z: 32 26.337 1.769 0.882 0.764 0.871 0.613 CB 1.290 32 residues pruned to eliminate duplicates Z: 36 28.039 1.749 0.913 0.790 1.000 0.743 CB 1.098 34 residues pruned to eliminate duplicates Z: 28 36.754 1.831 0.999 0.935 1.000 0.741 CB 1.347 36 residues pruned to eliminate duplicates Z: 27 35.002 1.830 0.975 0.944 1.000 0.808 CB 1.315 27 residues pruned to eliminate duplicates Z: 25 22.376 1.809 0.668 0.876 0.917 0.833 CA 1.200 25 residues pruned to eliminate duplicates Z: 23 17.406 1.759 0.412 0.899 0.955 0.909 CA 1.118 23 residues pruned to eliminate duplicates Z: 23 24.688 1.826 0.630 0.928 1.000 0.818 CA 1.238 23 residues pruned to eliminate duplicates Z: 22 24.897 1.845 0.693 0.937 0.952 0.857 CA 1.271 22 residues pruned to eliminate duplicates Z: 28 24.526 1.791 0.701 0.713 0.926 0.667 CA 1.380 28 residues pruned to eliminate duplicates Z: 23 22.686 1.839 0.651 0.817 0.955 0.682 CA 1.267 23 residues pruned to eliminate duplicates Z: 19 20.315 1.885 0.553 0.871 0.944 0.833 CA 1.263 19 residues pruned to eliminate duplicates Z: 19 25.255 1.895 0.640 0.921 1.000 0.722 CA 1.347 19 residues pruned to eliminate duplicates Z: 21 25.178 1.830 0.765 0.933 0.950 0.700 CA 1.281 21 residues pruned to eliminate duplicates Z: 21 25.228 1.826 0.767 0.933 0.950 0.800 CB 1.284 21 residues pruned to eliminate duplicates Z: 23 24.370 1.773 0.662 0.842 0.955 0.682 CB 1.376 23 residues pruned to eliminate duplicates Z: 19 25.584 1.883 0.722 0.898 1.000 0.722 CA 1.330 19 residues pruned to eliminate duplicates Z: 19 25.077 1.886 0.824 0.895 0.944 0.833 CA 1.304 19 residues pruned to eliminate duplicates Z: 19 27.821 1.879 0.845 0.919 1.000 0.722 CA 1.333 19 residues pruned to eliminate duplicates Z: 43 32.302 1.804 0.698 0.797 0.976 0.738 CA 1.286 43 residues pruned to eliminate duplicates Z: 19 25.272 1.818 0.789 0.868 0.944 0.833 CA 1.417 19 residues pruned to eliminate duplicates Z: 44 29.511 1.817 0.703 0.740 0.884 0.698 CA 1.327 44 residues pruned to eliminate duplicates Z: 22 22.312 1.810 0.840 0.796 0.905 0.810 CA 1.248 22 residues pruned to eliminate duplicates Z: 16 19.721 1.866 0.900 0.826 0.933 0.467 CA 1.160 16 residues pruned to eliminate duplicates Z: 24 23.103 1.840 0.757 0.743 0.913 0.826 CB 1.313 24 residues pruned to eliminate duplicates Z: 18 13.815 1.736 0.962 0.545 0.824 0.588 CB 1.143 18 residues pruned to eliminate duplicates Z: 20 28.681 1.824 1.147 0.891 0.947 0.842 CB 1.275 20 residues pruned to eliminate duplicates Z: 30 26.768 1.801 1.014 0.714 0.897 0.483 CB 1.260 30 residues pruned to eliminate duplicates Z: 46 37.017 1.846 0.783 0.874 0.956 0.711 CB 1.276 46 residues pruned to eliminate duplicates Z: 44 34.974 1.812 0.791 0.822 0.930 0.651 CA 1.336 44 residues pruned to eliminate duplicates Z: 22 21.817 1.812 0.612 0.705 0.905 0.762 CB 1.495 22 residues pruned to eliminate duplicates Z: 20 23.849 1.839 0.677 0.768 1.000 0.789 CA 1.399 20 residues pruned to eliminate duplicates Z: 22 23.554 1.816 0.671 0.739 0.952 0.619 CA 1.436 22 residues pruned to eliminate duplicates Z: 47 36.035 1.817 0.912 0.842 0.913 0.717 CB 1.248 47 residues pruned to eliminate duplicates Z: 41 30.605 1.730 0.769 0.727 0.950 0.550 CB 1.356 41 residues pruned to eliminate duplicates Z: 31 27.515 1.873 0.875 0.794 0.933 0.667 CB 1.185 31 residues pruned to eliminate duplicates Z: 20 26.412 1.844 0.791 0.852 0.947 0.579 CB 1.432 20 residues pruned to eliminate duplicates Z: 19 24.543 1.853 0.731 0.843 0.944 0.722 CB 1.422 19 residues pruned to eliminate duplicates Z: 22 22.241 1.809 0.821 0.752 0.857 0.667 CB 1.372 22 residues pruned to eliminate duplicates Z: 23 31.042 1.870 0.853 0.865 1.000 0.591 CB 1.400 23 residues pruned to eliminate duplicates Z: 12 15.441 1.766 0.901 0.652 0.818 0.545 CA 1.471 12 residues pruned to eliminate duplicates Z: 25 24.109 1.806 0.831 0.780 0.917 0.750 CB 1.268 25 residues pruned to eliminate duplicates Z: 21 21.677 1.797 0.821 0.779 0.900 0.600 CB 1.287 21 residues pruned to eliminate duplicates Z: 20 19.077 1.801 0.790 0.790 0.895 0.421 CB 1.177 20 residues pruned to eliminate duplicates Z: 18 22.803 1.802 0.761 0.934 1.000 0.765 CB 1.215 19 residues pruned to eliminate duplicates Z: 20 27.140 1.794 1.072 0.919 0.947 0.684 CB 1.246 19 residues pruned to eliminate duplicates Z: 16 14.539 1.705 0.674 0.858 0.867 0.467 CB 1.118 16 residues pruned to eliminate duplicates Z: 25 28.649 1.782 0.898 0.885 0.958 0.500 CB 1.303 25 residues pruned to eliminate duplicates Z: 25 27.807 1.782 0.868 0.889 0.958 0.667 CB 1.281 25 residues pruned to eliminate duplicates Z: 31 18.286 1.629 0.815 0.699 0.833 0.467 CB 1.130 31 residues pruned to eliminate duplicates Z: 49 32.745 1.843 0.766 0.717 0.917 0.500 CB 1.301 49 residues pruned to eliminate duplicates Z: 25 29.834 1.806 0.909 0.938 1.000 0.542 CB 1.228 25 residues pruned to eliminate duplicates Z: 48 37.796 1.795 0.862 0.836 0.915 0.553 CB 1.350 48 residues pruned to eliminate duplicates Z: 53 40.854 1.802 0.952 0.870 0.981 0.596 CB 1.199 53 residues pruned to eliminate duplicates Z: 26 28.343 1.781 1.008 0.893 0.960 0.400 CB 1.186 26 residues pruned to eliminate duplicates Z: 10 6.461 1.717 0.466 0.462 0.667 0.222 CB 1.334 10 residues pruned to eliminate duplicates Z: 11 7.092 1.654 0.635 0.437 0.700 0.400 CB 1.264 11 residues pruned to eliminate duplicates Z: 7 3.221 1.540 0.084 0.545 0.833 0.167 CB 0.905 4 residues pruned to eliminate duplicates Z: 24 13.898 1.469 0.339 0.865 0.870 0.783 CB 1.242 24 residues pruned to eliminate duplicates Z: 19 10.811 1.586 0.328 0.703 0.778 0.667 CB 1.294 19 residues pruned to eliminate duplicates Z: 14 10.468 1.652 0.467 0.666 0.846 0.615 CB 1.214 14 residues pruned to eliminate duplicates Z: 28 20.821 1.584 0.522 0.791 0.963 0.667 CB 1.337 30 residues pruned to eliminate duplicates Z: 23 17.896 1.535 0.734 0.852 0.818 0.591 CB 1.296 23 residues pruned to eliminate duplicates Z: 21 17.106 1.523 0.722 0.773 0.900 0.500 CB 1.273 21 residues pruned to eliminate duplicates Z: 24 15.409 1.518 0.749 0.739 0.870 0.435 CB 1.123 24 residues pruned to eliminate duplicates Z: 15 14.079 1.594 0.681 0.838 0.857 0.571 CB 1.224 15 residues pruned to eliminate duplicates Z: 20 11.364 1.546 0.665 0.654 0.789 0.579 CB 1.112 20 residues pruned to eliminate duplicates Z: 12 11.454 1.560 0.646 0.732 1.000 0.636 CB 1.092 12 residues pruned to eliminate duplicates Z: 15 11.532 1.597 0.437 0.714 0.857 0.571 CB 1.291 15 residues pruned to eliminate duplicates Z: 13 10.649 1.563 0.603 0.667 0.917 0.667 CA 1.147 13 residues pruned to eliminate duplicates Z: 33 20.110 1.641 0.636 0.714 0.906 0.469 CB 1.204 31 residues pruned to eliminate duplicates Z: 23 17.212 1.553 0.678 0.871 0.818 0.727 CB 1.255 23 residues pruned to eliminate duplicates Z: 20 9.029 1.516 0.542 0.577 0.737 0.526 CB 1.117 20 residues pruned to eliminate duplicates Z: 15 14.165 1.605 0.701 0.840 0.857 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 19 9.920 1.537 0.571 0.574 0.778 0.556 CB 1.159 19 residues pruned to eliminate duplicates Z: 7 6.494 1.595 0.804 0.692 1.000 0.833 CB 0.773 7 residues pruned to eliminate duplicates Z: 8 6.886 1.592 0.515 0.714 0.857 0.714 CB 1.037 8 residues pruned to eliminate duplicates Z: 6 2.304 1.457 -0.025 0.684 1.000 0.800 CB 0.613 6 residues pruned to eliminate duplicates Z: 7 2.530 1.456 0.524 0.704 0.833 0.833 CB 0.464 549 residues left after pruning, divided into chains as follows: A: 65 B: 6 C: 19 D: 30 E: 133 F: 71 G: 56 H: 53 I: 56 J: 30 K: 30 CC for partial structure against native data = 48.75 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.453, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.530, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.639, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.650, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.660, Connect. = 0.793 for dens.mod. cycle 5 = 0.300, Contrast = 0.663, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.666, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.668, Connect. = 0.796 for dens.mod. cycle 9 = 0.300, Contrast = 0.668, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2653 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 596 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 33.302 2.012 0.740 0.913 0.880 0.760 CB 1.530 B: 36 49.599 2.052 0.937 0.927 1.000 0.914 CA 1.478 C: 32 26.698 1.990 0.296 0.941 1.000 0.903 CB 1.291 D: 23 30.011 2.173 0.668 0.952 1.000 0.818 CB 1.216 23 residues pruned to eliminate duplicates E: 28 33.320 1.949 0.697 0.873 0.963 0.704 CB 1.466 F: 36 47.818 2.044 0.979 0.944 0.971 0.629 CB 1.424 G: 50 50.633 2.055 0.748 0.867 0.918 0.714 CB 1.604 26 residues pruned to eliminate duplicates H: 27 22.566 2.098 0.168 0.933 1.000 0.885 CB 1.260 27 residues pruned to eliminate duplicates I: 38 45.513 2.007 0.858 0.926 1.000 0.730 CA 1.407 37 residues pruned to eliminate duplicates J: 37 48.231 2.039 0.930 0.930 1.000 0.778 CA 1.428 36 residues pruned to eliminate duplicates K: 24 37.530 2.053 0.752 0.933 0.957 0.870 CB 1.587 24 residues pruned to eliminate duplicates L: 19 30.947 1.898 0.996 0.931 1.000 0.500 CB 1.346 18 residues pruned to eliminate duplicates M: 39 44.859 1.943 0.868 0.918 1.000 0.737 CA 1.414 39 residues pruned to eliminate duplicates N: 31 38.301 2.016 0.682 0.938 1.000 0.800 CB 1.434 O: 27 27.907 2.058 0.444 0.951 1.000 0.846 CB 1.269 27 residues pruned to eliminate duplicates P: 25 32.803 2.094 0.687 0.929 0.958 0.708 CB 1.384 25 residues pruned to eliminate duplicates Q: 27 30.562 2.114 0.696 0.919 0.962 0.731 CB 1.225 32 residues pruned to eliminate duplicates R: 30 46.185 2.136 0.884 0.939 1.000 0.862 CA 1.481 S: 37 41.561 2.009 0.781 0.913 0.972 0.750 CA 1.409 37 residues pruned to eliminate duplicates T: 23 34.726 2.124 0.781 0.913 1.000 0.727 CB 1.385 22 residues pruned to eliminate duplicates U: 31 39.402 1.994 0.790 0.910 1.000 0.833 CB 1.429 31 residues pruned to eliminate duplicates V: 23 37.671 2.106 0.661 0.927 1.000 0.864 CB 1.610 23 residues pruned to eliminate duplicates W: 24 34.042 2.099 0.556 0.900 0.957 0.739 CA 1.623 24 residues pruned to eliminate duplicates X: 23 19.239 2.145 -0.009 0.953 1.000 1.000 CB 1.328 23 residues pruned to eliminate duplicates Y: 24 30.990 2.026 0.458 0.931 1.000 0.913 CA 1.529 24 residues pruned to eliminate duplicates Z: 26 37.121 2.024 0.830 0.931 0.920 0.800 CB 1.523 26 residues pruned to eliminate duplicates Z: 31 39.026 2.046 0.763 0.961 1.000 0.933 CA 1.352 31 residues pruned to eliminate duplicates Z: 24 29.783 2.111 0.471 0.922 1.000 0.870 CB 1.406 24 residues pruned to eliminate duplicates Z: 37 48.802 1.992 1.092 0.919 0.972 0.833 CB 1.414 37 residues pruned to eliminate duplicates Z: 25 34.736 2.029 0.701 0.944 0.958 0.708 CB 1.484 25 residues pruned to eliminate duplicates Z: 32 40.099 1.967 0.733 0.932 0.968 0.645 CB 1.525 31 residues pruned to eliminate duplicates Z: 21 32.013 2.033 0.791 0.862 0.950 0.800 CA 1.519 21 residues pruned to eliminate duplicates Z: 31 51.749 2.110 1.043 0.963 1.000 0.967 CA 1.498 30 residues pruned to eliminate duplicates Z: 24 25.728 2.137 0.413 0.935 0.957 0.826 CB 1.295 24 residues pruned to eliminate duplicates Z: 26 17.860 1.910 0.602 0.594 0.800 0.560 CB 1.335 17 residues pruned to eliminate duplicates Z: 29 30.820 1.956 0.445 0.891 1.000 0.750 CB 1.482 29 residues pruned to eliminate duplicates Z: 28 24.970 2.081 0.308 0.944 0.963 0.852 CB 1.270 28 residues pruned to eliminate duplicates Z: 23 40.228 2.059 0.945 0.940 1.000 0.682 CB 1.487 24 residues pruned to eliminate duplicates Z: 18 19.432 1.883 0.698 0.808 0.882 0.765 CA 1.278 18 residues pruned to eliminate duplicates Z: 36 48.869 2.010 0.905 0.929 1.000 0.686 CA 1.509 36 residues pruned to eliminate duplicates Z: 29 33.698 1.911 0.682 0.934 0.964 0.750 CA 1.432 29 residues pruned to eliminate duplicates Z: 31 45.379 2.092 0.911 0.955 1.000 0.833 CA 1.424 31 residues pruned to eliminate duplicates Z: 31 41.117 2.015 0.735 0.942 1.000 0.833 CB 1.489 32 residues pruned to eliminate duplicates Z: 26 36.903 2.021 0.809 0.927 0.920 0.760 CA 1.538 27 residues pruned to eliminate duplicates Z: 28 37.576 1.795 1.040 0.936 1.000 0.889 CB 1.376 Z: 22 34.276 2.207 0.713 0.950 1.000 0.762 CB 1.365 27 residues pruned to eliminate duplicates Z: 16 24.988 2.028 0.895 0.939 0.867 0.667 CB 1.346 16 residues pruned to eliminate duplicates Z: 26 33.442 1.981 0.669 0.900 0.960 0.720 CB 1.506 26 residues pruned to eliminate duplicates Z: 23 33.681 2.079 0.615 0.919 0.955 0.773 CB 1.579 23 residues pruned to eliminate duplicates Z: 24 35.876 2.045 0.624 0.935 1.000 0.870 CB 1.571 24 residues pruned to eliminate duplicates Z: 50 45.724 2.038 0.661 0.798 0.959 0.755 CB 1.550 30 residues pruned to eliminate duplicates Z: 31 40.050 2.033 0.649 0.922 1.000 0.933 CB 1.534 31 residues pruned to eliminate duplicates Z: 27 36.035 2.082 0.781 0.947 0.962 0.577 CB 1.370 27 residues pruned to eliminate duplicates Z: 37 36.692 1.979 0.856 0.904 0.889 0.639 CB 1.334 37 residues pruned to eliminate duplicates Z: 22 31.432 1.986 0.830 0.913 0.952 0.667 CA 1.403 21 residues pruned to eliminate duplicates Z: 26 34.109 2.043 0.561 0.907 0.960 0.840 CB 1.584 26 residues pruned to eliminate duplicates Z: 26 34.124 2.036 0.532 0.926 0.960 0.760 CB 1.598 26 residues pruned to eliminate duplicates Z: 25 29.374 2.016 0.390 0.935 1.000 1.000 CA 1.490 25 residues pruned to eliminate duplicates Z: 15 32.153 2.182 0.687 0.944 1.000 1.000 CB 1.617 15 residues pruned to eliminate duplicates Z: 31 37.672 2.021 0.569 0.942 1.000 0.700 CB 1.504 31 residues pruned to eliminate duplicates Z: 29 47.354 2.123 0.932 0.957 1.000 0.786 CA 1.498 29 residues pruned to eliminate duplicates Z: 18 31.591 2.026 0.993 0.952 1.000 0.765 CB 1.306 18 residues pruned to eliminate duplicates Z: 29 48.600 2.131 1.017 0.965 1.000 0.964 CA 1.459 29 residues pruned to eliminate duplicates Z: 37 33.054 1.782 0.652 0.913 0.972 0.750 CB 1.362 Z: 18 29.119 2.036 0.835 0.950 1.000 0.647 CB 1.304 18 residues pruned to eliminate duplicates Z: 17 22.698 2.139 0.319 0.887 1.000 0.750 CB 1.450 17 residues pruned to eliminate duplicates Z: 37 44.603 1.990 1.002 0.949 0.972 0.611 CB 1.325 38 residues pruned to eliminate duplicates Z: 30 41.501 2.013 0.806 0.936 1.000 0.793 CB 1.476 30 residues pruned to eliminate duplicates Z: 36 30.418 1.766 0.741 0.889 0.943 0.543 CB 1.277 36 residues pruned to eliminate duplicates Z: 21 22.884 1.909 0.558 0.724 0.950 0.600 CB 1.479 21 residues pruned to eliminate duplicates Z: 29 29.843 1.916 0.665 0.849 1.000 0.750 CA 1.311 29 residues pruned to eliminate duplicates Z: 44 37.516 2.022 0.610 0.727 0.977 0.767 CB 1.466 17 residues pruned to eliminate duplicates Z: 26 34.286 1.790 0.962 0.939 1.000 0.840 CB 1.357 25 residues pruned to eliminate duplicates Z: 13 16.820 1.836 0.777 0.917 1.000 0.917 CB 1.051 13 residues pruned to eliminate duplicates Z: 31 38.667 2.095 0.697 0.938 1.000 0.967 CA 1.380 31 residues pruned to eliminate duplicates Z: 31 35.202 1.972 0.715 0.856 0.933 0.733 CB 1.502 31 residues pruned to eliminate duplicates Z: 30 36.345 2.055 0.727 0.946 1.000 0.828 CB 1.315 30 residues pruned to eliminate duplicates Z: 23 42.093 2.130 0.804 0.952 1.000 0.909 CA 1.609 23 residues pruned to eliminate duplicates Z: 29 21.396 1.875 0.735 0.632 0.857 0.571 CB 1.281 29 residues pruned to eliminate duplicates Z: 37 33.198 1.943 0.462 0.924 1.000 0.806 CA 1.367 37 residues pruned to eliminate duplicates Z: 31 34.031 1.977 0.525 0.914 1.000 0.900 CB 1.457 31 residues pruned to eliminate duplicates Z: 27 38.208 1.931 1.218 0.925 0.923 0.538 CB 1.330 22 residues pruned to eliminate duplicates Z: 25 30.363 2.074 0.517 0.911 0.917 0.792 CA 1.524 25 residues pruned to eliminate duplicates Z: 20 23.602 1.763 0.631 0.915 1.000 0.895 CB 1.331 Z: 31 34.843 2.078 0.549 0.949 1.000 0.933 CA 1.364 31 residues pruned to eliminate duplicates Z: 30 43.246 2.126 0.806 0.962 1.000 0.897 CA 1.430 30 residues pruned to eliminate duplicates Z: 28 34.780 2.034 0.902 0.886 0.926 0.667 CB 1.348 28 residues pruned to eliminate duplicates Z: 10 10.381 1.820 0.077 0.910 1.000 0.889 CB 1.252 10 residues pruned to eliminate duplicates Z: 27 30.937 1.983 0.501 0.879 0.962 0.769 CB 1.538 27 residues pruned to eliminate duplicates Z: 40 40.431 1.975 0.759 0.879 0.949 0.821 CA 1.424 41 residues pruned to eliminate duplicates Z: 37 39.003 1.974 0.654 0.925 1.000 0.778 CB 1.397 37 residues pruned to eliminate duplicates Z: 26 35.956 2.036 0.606 0.927 1.000 0.760 CA 1.542 26 residues pruned to eliminate duplicates Z: 26 28.537 1.824 0.627 0.905 1.000 0.880 CA 1.368 26 residues pruned to eliminate duplicates Z: 16 21.046 1.915 0.941 0.938 1.000 0.800 CB 1.017 Z: 25 35.314 2.039 0.829 0.903 0.917 0.708 CB 1.503 25 residues pruned to eliminate duplicates Z: 30 32.648 1.855 0.847 0.901 0.966 0.690 CB 1.309 38 residues pruned to eliminate duplicates Z: 29 39.525 2.093 0.875 0.924 0.964 0.643 CA 1.386 29 residues pruned to eliminate duplicates Z: 22 30.923 2.113 0.363 0.934 1.000 0.905 CA 1.633 22 residues pruned to eliminate duplicates Z: 26 36.715 2.013 0.760 0.908 0.920 0.720 CB 1.600 26 residues pruned to eliminate duplicates Z: 55 40.215 1.940 0.663 0.825 0.944 0.741 CB 1.355 53 residues pruned to eliminate duplicates Z: 31 36.349 2.001 0.615 0.924 1.000 0.900 CB 1.443 31 residues pruned to eliminate duplicates Z: 29 38.835 2.099 0.868 0.924 1.000 0.893 CA 1.314 29 residues pruned to eliminate duplicates Z: 37 52.936 2.021 1.096 0.933 1.000 0.556 CA 1.453 37 residues pruned to eliminate duplicates Z: 31 41.031 1.975 0.873 0.924 0.967 0.733 CB 1.471 31 residues pruned to eliminate duplicates Z: 8 9.049 1.858 0.429 0.687 0.857 0.714 N 1.267 8 residues pruned to eliminate duplicates Z: 37 48.291 1.962 1.092 0.924 0.944 0.778 CA 1.458 37 residues pruned to eliminate duplicates Z: 7 19.724 1.820 1.154 0.807 1.000 0.667 N 1.571 8 residues pruned to eliminate duplicates Z: 14 16.048 1.759 0.985 0.929 1.000 0.769 CB 0.892 13 residues pruned to eliminate duplicates Z: 29 25.849 1.880 0.504 0.877 1.000 0.893 CA 1.254 29 residues pruned to eliminate duplicates Z: 31 43.140 2.098 0.798 0.947 1.000 0.900 CA 1.443 31 residues pruned to eliminate duplicates Z: 27 38.787 2.048 1.107 0.927 0.962 0.500 CB 1.285 28 residues pruned to eliminate duplicates Z: 38 45.541 1.954 0.850 0.916 1.000 0.676 CB 1.462 38 residues pruned to eliminate duplicates Z: 37 32.394 1.927 0.519 0.920 1.000 0.833 CA 1.300 37 residues pruned to eliminate duplicates Z: 30 56.915 2.104 1.313 0.959 1.000 0.793 CB 1.489 31 residues pruned to eliminate duplicates Z: 23 25.154 2.178 0.262 0.944 1.000 0.864 CB 1.351 23 residues pruned to eliminate duplicates Z: 37 49.304 2.010 0.975 0.930 1.000 0.611 CA 1.447 37 residues pruned to eliminate duplicates Z: 36 36.386 2.025 0.560 0.912 0.971 0.886 CA 1.419 36 residues pruned to eliminate duplicates Z: 23 35.460 2.122 0.552 0.943 1.000 0.864 CB 1.591 23 residues pruned to eliminate duplicates Z: 28 21.162 1.635 0.467 0.896 0.963 0.852 CB 1.263 Z: 30 45.489 2.128 0.942 0.966 0.966 0.931 CA 1.444 30 residues pruned to eliminate duplicates Z: 60 51.053 1.970 0.819 0.806 0.949 0.729 CA 1.495 61 residues pruned to eliminate duplicates Z: 30 40.004 2.009 0.727 0.923 1.000 0.793 CB 1.504 30 residues pruned to eliminate duplicates Z: 56 50.229 2.054 0.830 0.822 0.945 0.745 CA 1.441 52 residues pruned to eliminate duplicates Z: 31 38.735 2.038 0.618 0.932 1.000 0.800 CB 1.498 31 residues pruned to eliminate duplicates Z: 30 28.314 1.793 0.756 0.873 0.966 0.759 CB 1.259 30 residues pruned to eliminate duplicates Z: 23 36.440 2.068 0.712 0.919 1.000 0.773 CB 1.546 23 residues pruned to eliminate duplicates Z: 37 41.415 1.970 0.845 0.932 0.944 0.667 CA 1.405 37 residues pruned to eliminate duplicates Z: 22 27.814 1.906 0.875 0.884 0.905 0.714 CB 1.357 22 residues pruned to eliminate duplicates Z: 27 26.588 1.745 0.642 0.851 0.962 0.654 CA 1.401 20 residues pruned to eliminate duplicates Z: 18 32.596 2.017 1.069 0.954 1.000 0.706 CB 1.303 18 residues pruned to eliminate duplicates Z: 27 25.210 1.881 0.620 0.895 0.885 0.654 CB 1.315 27 residues pruned to eliminate duplicates Z: 26 21.952 1.712 0.431 0.766 0.960 0.680 CA 1.475 22 residues pruned to eliminate duplicates Z: 37 26.798 1.760 0.486 0.926 0.972 0.639 CB 1.231 37 residues pruned to eliminate duplicates Z: 36 31.390 1.754 0.706 0.920 0.971 0.657 CB 1.285 36 residues pruned to eliminate duplicates Z: 27 34.279 1.794 0.939 0.910 1.000 0.615 CB 1.371 27 residues pruned to eliminate duplicates Z: 20 33.833 2.169 0.541 0.937 1.000 0.895 CA 1.617 20 residues pruned to eliminate duplicates Z: 24 30.274 1.824 0.743 0.935 1.000 0.783 CB 1.383 24 residues pruned to eliminate duplicates Z: 20 23.271 2.047 0.481 0.886 1.000 0.842 CA 1.271 20 residues pruned to eliminate duplicates Z: 6 4.951 1.687 0.303 0.865 0.800 0.800 CA 0.922 6 residues pruned to eliminate duplicates Z: 38 41.727 1.924 0.828 0.925 1.000 0.784 CA 1.368 38 residues pruned to eliminate duplicates Z: 19 23.305 1.833 0.934 0.834 0.833 0.667 CA 1.394 19 residues pruned to eliminate duplicates Z: 16 17.869 1.766 0.665 0.892 1.000 0.600 CB 1.127 Z: 26 21.293 2.062 0.177 0.940 0.960 0.920 CB 1.269 26 residues pruned to eliminate duplicates Z: 8 10.214 1.796 0.481 0.887 1.000 0.714 CA 1.047 8 residues pruned to eliminate duplicates Z: 26 27.609 1.831 0.671 0.886 1.000 0.840 CB 1.302 26 residues pruned to eliminate duplicates Z: 49 47.588 2.043 0.638 0.882 0.958 0.729 CB 1.550 49 residues pruned to eliminate duplicates Z: 16 17.624 1.798 0.747 0.896 0.933 0.467 CB 1.111 16 residues pruned to eliminate duplicates Z: 29 31.996 1.902 0.529 0.930 1.000 0.964 CA 1.454 29 residues pruned to eliminate duplicates Z: 24 22.402 1.732 0.594 0.920 0.913 0.696 CB 1.305 23 residues pruned to eliminate duplicates Z: 31 41.212 2.016 0.683 0.927 1.000 0.733 CB 1.555 31 residues pruned to eliminate duplicates Z: 27 26.771 1.734 0.940 0.878 1.000 0.538 CB 1.133 27 residues pruned to eliminate duplicates Z: 31 43.456 2.069 0.846 0.922 1.000 0.767 CA 1.462 31 residues pruned to eliminate duplicates Z: 16 19.458 1.747 0.573 0.923 1.000 0.867 CB 1.284 16 residues pruned to eliminate duplicates Z: 25 23.257 1.763 0.651 0.923 0.917 0.625 CB 1.250 Z: 32 35.365 1.955 0.546 0.935 1.000 0.935 CB 1.464 32 residues pruned to eliminate duplicates Z: 24 23.583 1.809 0.739 0.891 1.000 0.739 CB 1.123 24 residues pruned to eliminate duplicates Z: 30 56.688 2.117 1.289 0.956 1.000 0.828 CB 1.492 30 residues pruned to eliminate duplicates Z: 17 15.319 1.678 0.618 0.829 0.938 0.562 CB 1.132 16 residues pruned to eliminate duplicates Z: 19 15.376 1.531 0.564 0.880 1.000 0.722 CB 1.096 Z: 17 17.746 1.864 0.414 0.939 1.000 0.812 CB 1.169 16 residues pruned to eliminate duplicates Z: 24 20.017 1.739 0.416 0.933 0.957 0.870 CA 1.237 23 residues pruned to eliminate duplicates Z: 27 26.511 1.838 0.438 0.932 1.000 0.769 CA 1.374 27 residues pruned to eliminate duplicates Z: 32 28.070 1.981 0.711 0.940 0.968 0.548 CB 1.068 32 residues pruned to eliminate duplicates Z: 34 43.870 2.084 0.687 0.949 1.000 0.848 CB 1.499 34 residues pruned to eliminate duplicates Z: 37 45.497 2.013 0.855 0.936 1.000 0.917 CA 1.414 37 residues pruned to eliminate duplicates Z: 25 30.162 1.889 0.496 0.914 1.000 0.833 CA 1.540 25 residues pruned to eliminate duplicates Z: 30 35.158 2.050 0.442 0.939 1.000 0.897 CB 1.535 30 residues pruned to eliminate duplicates Z: 26 27.875 1.828 0.714 0.889 0.960 0.840 CB 1.334 26 residues pruned to eliminate duplicates Z: 56 45.724 2.025 0.712 0.780 0.945 0.727 CB 1.470 36 residues pruned to eliminate duplicates Z: 17 18.724 1.896 0.598 0.911 0.938 0.812 CB 1.168 17 residues pruned to eliminate duplicates Z: 30 44.363 2.111 0.803 0.933 1.000 0.862 CA 1.510 31 residues pruned to eliminate duplicates Z: 26 24.095 1.788 0.652 0.879 0.960 0.600 CB 1.232 26 residues pruned to eliminate duplicates Z: 28 17.927 1.597 0.512 0.886 0.926 0.667 CB 1.114 28 residues pruned to eliminate duplicates Z: 16 30.219 1.904 1.030 0.934 1.000 0.467 CB 1.408 16 residues pruned to eliminate duplicates Z: 26 35.968 2.121 0.836 0.932 1.000 0.680 CB 1.290 26 residues pruned to eliminate duplicates Z: 9 4.207 1.549 0.452 0.311 0.750 0.000 N 1.087 Z: 35 39.471 2.014 0.932 0.928 0.912 0.559 CB 1.336 35 residues pruned to eliminate duplicates Z: 28 28.621 1.774 0.595 0.923 1.000 0.667 CB 1.368 28 residues pruned to eliminate duplicates Z: 21 28.896 2.053 0.618 0.846 1.000 0.850 CA 1.446 21 residues pruned to eliminate duplicates Z: 30 42.099 2.056 0.891 0.939 0.966 0.828 CB 1.447 30 residues pruned to eliminate duplicates Z: 17 15.909 1.792 0.499 0.893 0.875 0.688 CB 1.214 17 residues pruned to eliminate duplicates Z: 37 37.470 2.007 0.644 0.931 1.000 0.944 CA 1.322 37 residues pruned to eliminate duplicates Z: 38 23.596 1.758 0.574 0.917 0.946 0.730 CB 1.046 35 residues pruned to eliminate duplicates Z: 30 29.462 1.823 0.640 0.943 1.000 0.862 CA 1.268 30 residues pruned to eliminate duplicates Z: 36 30.216 1.833 0.736 0.951 0.971 0.657 CB 1.139 36 residues pruned to eliminate duplicates Z: 22 28.769 1.955 0.590 0.892 1.000 0.762 CA 1.451 22 residues pruned to eliminate duplicates Z: 31 40.123 1.904 0.904 0.895 1.000 0.700 CB 1.449 29 residues pruned to eliminate duplicates Z: 26 38.399 2.024 0.763 0.935 0.960 0.720 CA 1.563 26 residues pruned to eliminate duplicates Z: 37 31.922 1.782 0.661 0.908 0.944 0.778 CB 1.352 37 residues pruned to eliminate duplicates Z: 17 21.234 1.812 0.634 0.865 1.000 0.812 CB 1.313 17 residues pruned to eliminate duplicates Z: 25 34.936 2.042 0.985 0.923 0.917 0.667 CB 1.349 25 residues pruned to eliminate duplicates Z: 25 29.695 1.786 0.784 0.928 1.000 0.750 CB 1.332 25 residues pruned to eliminate duplicates Z: 30 34.927 2.058 0.893 0.959 1.000 0.655 CB 1.141 25 residues pruned to eliminate duplicates Z: 24 20.821 1.794 0.453 0.904 0.957 0.783 CA 1.240 25 residues pruned to eliminate duplicates Z: 30 34.293 2.072 0.591 0.931 1.000 0.931 CA 1.349 30 residues pruned to eliminate duplicates Z: 32 19.894 1.513 0.526 0.850 0.968 0.774 CB 1.184 32 residues pruned to eliminate duplicates Z: 6 2.926 1.498 0.691 0.748 0.800 0.600 CB 0.517 Z: 32 36.077 2.043 0.691 0.793 0.968 0.806 CB 1.500 32 residues pruned to eliminate duplicates Z: 29 41.626 2.107 0.790 0.950 1.000 0.929 CA 1.439 29 residues pruned to eliminate duplicates Z: 23 31.506 1.969 0.756 0.909 1.000 0.773 CB 1.379 23 residues pruned to eliminate duplicates Z: 28 22.436 1.804 0.328 0.866 0.963 0.815 CB 1.370 28 residues pruned to eliminate duplicates Z: 15 23.469 1.830 0.776 0.925 1.000 0.857 CA 1.355 15 residues pruned to eliminate duplicates Z: 36 30.087 1.765 0.507 0.910 1.000 0.886 CB 1.356 36 residues pruned to eliminate duplicates Z: 30 52.203 2.076 1.234 0.958 0.966 0.552 CB 1.485 30 residues pruned to eliminate duplicates Z: 23 22.608 1.863 0.473 0.944 1.000 0.864 CB 1.216 23 residues pruned to eliminate duplicates Z: 23 16.625 1.524 0.650 0.856 0.909 0.727 CB 1.143 23 residues pruned to eliminate duplicates Z: 26 31.551 1.819 0.843 0.887 0.960 0.880 CA 1.414 26 residues pruned to eliminate duplicates Z: 30 43.955 1.931 1.102 0.941 0.966 0.655 CB 1.445 30 residues pruned to eliminate duplicates Z: 27 34.951 1.835 0.833 0.947 1.000 0.654 CB 1.407 27 residues pruned to eliminate duplicates Z: 55 47.670 2.034 0.811 0.771 0.926 0.778 CB 1.497 55 residues pruned to eliminate duplicates Z: 24 21.927 2.106 0.051 0.940 1.000 0.913 CA 1.434 24 residues pruned to eliminate duplicates Z: 29 46.763 2.075 1.080 0.928 1.000 0.821 CA 1.434 29 residues pruned to eliminate duplicates Z: 20 17.962 2.106 0.086 0.882 1.000 0.895 CB 1.303 20 residues pruned to eliminate duplicates Z: 23 22.933 1.773 0.609 0.930 0.955 0.864 CA 1.256 23 residues pruned to eliminate duplicates Z: 32 32.043 1.868 0.853 0.841 0.968 0.774 CB 1.281 32 residues pruned to eliminate duplicates Z: 29 25.298 1.784 0.682 0.941 1.000 0.893 CB 1.105 29 residues pruned to eliminate duplicates Z: 30 49.693 2.115 1.043 0.967 1.000 0.966 CA 1.455 29 residues pruned to eliminate duplicates Z: 30 33.147 1.873 0.685 0.918 1.000 0.793 CA 1.376 30 residues pruned to eliminate duplicates Z: 25 25.675 1.773 0.776 0.926 0.958 0.792 CB 1.218 25 residues pruned to eliminate duplicates Z: 23 30.973 1.873 0.780 0.949 1.000 0.909 CA 1.366 23 residues pruned to eliminate duplicates Z: 26 29.488 1.825 0.659 0.916 0.960 0.920 CB 1.434 26 residues pruned to eliminate duplicates Z: 19 27.812 1.846 0.718 0.936 1.000 0.833 CB 1.439 19 residues pruned to eliminate duplicates Z: 15 18.673 1.816 0.631 0.895 0.929 0.643 CB 1.301 16 residues pruned to eliminate duplicates Z: 36 41.984 2.025 0.642 0.910 1.000 0.857 CA 1.514 36 residues pruned to eliminate duplicates Z: 6 3.848 1.439 0.125 0.779 0.800 0.800 CB 1.038 Z: 9 15.012 1.800 0.701 0.845 0.875 0.500 CA 1.473 9 residues pruned to eliminate duplicates Z: 37 28.055 1.766 0.402 0.889 1.000 0.694 CB 1.360 37 residues pruned to eliminate duplicates Z: 24 29.365 1.813 0.714 0.931 1.000 0.826 CA 1.377 24 residues pruned to eliminate duplicates Z: 28 29.162 1.816 0.703 0.900 0.963 0.778 CB 1.346 28 residues pruned to eliminate duplicates Z: 30 20.808 1.588 0.347 0.893 1.000 0.897 CA 1.297 28 residues pruned to eliminate duplicates Z: 23 28.346 1.882 0.751 0.878 0.955 0.864 CB 1.394 23 residues pruned to eliminate duplicates Z: 14 10.645 1.664 0.114 0.655 0.923 0.538 N 1.494 Z: 19 21.866 1.755 0.755 0.890 0.889 0.667 CA 1.354 19 residues pruned to eliminate duplicates Z: 38 39.918 1.934 0.878 0.865 0.946 0.459 CA 1.399 38 residues pruned to eliminate duplicates Z: 24 30.558 2.024 0.439 0.939 1.000 0.957 CB 1.521 24 residues pruned to eliminate duplicates Z: 17 16.395 1.561 0.762 0.894 0.875 0.500 CB 1.221 4 residues pruned to eliminate duplicates Z: 37 43.300 2.004 0.832 0.914 1.000 0.750 CA 1.390 37 residues pruned to eliminate duplicates Z: 27 32.049 1.841 0.793 0.928 0.962 0.654 CB 1.387 27 residues pruned to eliminate duplicates Z: 33 21.236 2.011 0.202 0.725 0.938 0.781 CB 1.352 33 residues pruned to eliminate duplicates Z: 11 10.281 1.558 0.644 0.760 0.800 0.300 CB 1.259 5 residues pruned to eliminate duplicates Z: 12 7.828 1.592 0.199 0.456 0.909 0.545 O 1.422 11 residues pruned to eliminate duplicates Z: 41 22.947 1.709 0.451 0.775 0.925 0.750 CB 1.241 46 residues pruned to eliminate duplicates Z: 29 27.509 1.916 0.510 0.906 1.000 0.929 CA 1.278 29 residues pruned to eliminate duplicates Z: 6 8.606 1.661 0.506 0.813 1.000 0.600 CB 1.171 6 residues pruned to eliminate duplicates Z: 34 28.938 1.869 0.610 0.932 1.000 0.758 CB 1.170 34 residues pruned to eliminate duplicates Z: 8 12.766 1.704 0.524 0.894 1.000 0.857 CB 1.332 8 residues pruned to eliminate duplicates Z: 27 31.338 2.051 0.694 0.946 1.000 0.692 CB 1.223 27 residues pruned to eliminate duplicates Z: 37 31.128 1.969 0.400 0.948 0.972 0.944 CA 1.337 37 residues pruned to eliminate duplicates Z: 65 48.269 1.872 0.724 0.904 0.984 0.797 CB 1.353 129 residues pruned to eliminate duplicates Z: 12 7.103 1.687 0.214 0.903 1.000 0.818 CB 0.745 12 residues pruned to eliminate duplicates Z: 18 28.537 1.946 0.863 0.867 1.000 0.824 CA 1.397 18 residues pruned to eliminate duplicates Z: 18 30.084 1.995 0.904 0.923 1.000 0.765 CB 1.350 18 residues pruned to eliminate duplicates Z: 27 34.379 2.068 0.883 0.923 1.000 0.615 CB 1.216 27 residues pruned to eliminate duplicates Z: 27 25.504 1.833 0.429 0.909 1.000 0.615 CA 1.355 27 residues pruned to eliminate duplicates Z: 36 28.638 1.814 0.821 0.922 0.943 0.486 CB 1.093 Z: 18 19.051 1.826 0.710 0.703 0.941 0.588 N 1.307 18 residues pruned to eliminate duplicates Z: 22 20.975 1.916 0.576 0.829 0.857 0.619 CA 1.331 22 residues pruned to eliminate duplicates Z: 32 31.807 1.866 0.858 0.763 0.935 0.613 CA 1.395 32 residues pruned to eliminate duplicates Z: 16 13.835 1.718 0.440 0.851 0.933 0.800 CB 1.145 14 residues pruned to eliminate duplicates Z: 23 20.297 1.793 0.984 0.882 0.909 0.545 CB 0.968 23 residues pruned to eliminate duplicates Z: 23 23.738 1.765 0.619 0.894 1.000 0.864 CB 1.271 23 residues pruned to eliminate duplicates Z: 38 29.059 1.790 0.788 0.896 0.946 0.730 CB 1.130 38 residues pruned to eliminate duplicates Z: 30 33.207 2.041 0.706 0.957 1.000 0.759 CB 1.215 30 residues pruned to eliminate duplicates Z: 14 10.303 1.549 0.331 0.592 0.923 0.462 CB 1.374 14 residues pruned to eliminate duplicates Z: 27 19.023 1.561 0.495 0.884 1.000 0.846 CB 1.155 Z: 17 20.835 1.925 0.585 0.856 0.875 0.688 CA 1.438 17 residues pruned to eliminate duplicates Z: 24 28.935 1.856 0.693 0.921 1.000 1.000 CA 1.352 24 residues pruned to eliminate duplicates Z: 28 16.994 1.538 0.430 0.849 0.963 0.852 CB 1.145 27 residues pruned to eliminate duplicates Z: 37 44.479 2.005 0.862 0.905 1.000 0.806 CA 1.413 37 residues pruned to eliminate duplicates Z: 23 29.681 1.841 1.003 0.916 0.955 0.682 CB 1.270 23 residues pruned to eliminate duplicates Z: 22 34.618 2.198 0.709 0.945 1.000 0.714 CB 1.392 22 residues pruned to eliminate duplicates Z: 35 28.698 1.847 0.716 0.953 0.941 0.588 CB 1.135 35 residues pruned to eliminate duplicates Z: 25 22.820 1.814 0.409 0.896 0.958 0.708 CA 1.362 25 residues pruned to eliminate duplicates Z: 31 40.287 1.908 1.069 0.927 0.967 0.667 CB 1.351 31 residues pruned to eliminate duplicates Z: 28 29.161 1.927 0.550 0.920 0.963 0.926 CA 1.374 28 residues pruned to eliminate duplicates Z: 35 28.211 1.772 0.582 0.875 0.971 0.706 CB 1.293 35 residues pruned to eliminate duplicates Z: 37 25.218 1.743 0.532 0.914 0.944 0.722 CB 1.179 37 residues pruned to eliminate duplicates Z: 21 29.786 1.968 0.717 0.878 1.000 0.750 CA 1.431 21 residues pruned to eliminate duplicates Z: 29 41.391 2.046 0.724 0.949 0.964 0.679 CB 1.588 29 residues pruned to eliminate duplicates Z: 36 30.551 1.767 0.616 0.908 0.943 0.743 CB 1.363 36 residues pruned to eliminate duplicates Z: 25 35.068 2.165 0.780 0.958 1.000 0.708 CB 1.273 25 residues pruned to eliminate duplicates Z: 30 25.544 1.793 0.490 0.902 0.966 0.897 CB 1.311 30 residues pruned to eliminate duplicates Z: 37 44.986 2.039 0.825 0.926 1.000 0.861 CA 1.412 37 residues pruned to eliminate duplicates Z: 13 14.217 1.737 0.637 0.889 0.917 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 38 37.049 1.938 0.649 0.915 1.000 0.865 CA 1.347 38 residues pruned to eliminate duplicates Z: 32 20.533 1.690 0.469 0.902 0.968 0.806 CB 1.095 32 residues pruned to eliminate duplicates Z: 22 26.373 1.810 0.711 0.937 1.000 0.810 CB 1.293 22 residues pruned to eliminate duplicates Z: 25 27.336 1.871 0.544 0.888 1.000 0.875 CB 1.391 25 residues pruned to eliminate duplicates Z: 24 19.924 1.738 0.437 0.924 1.000 0.870 CB 1.168 24 residues pruned to eliminate duplicates Z: 30 17.869 1.555 0.455 0.844 0.966 0.793 CB 1.131 30 residues pruned to eliminate duplicates Z: 21 22.201 1.830 0.921 0.943 1.000 0.650 CB 0.979 21 residues pruned to eliminate duplicates Z: 15 9.168 1.597 0.187 0.593 0.929 0.571 CB 1.272 15 residues pruned to eliminate duplicates Z: 12 7.475 1.374 0.443 0.759 0.909 0.636 CB 0.993 12 residues pruned to eliminate duplicates Z: 22 27.407 2.057 0.331 0.936 1.000 1.000 CB 1.521 22 residues pruned to eliminate duplicates 6 1.493 1.461 0.298 0.400 1.000 0.400 CB 0.391 ? Z: 37 29.241 1.778 0.402 0.905 0.972 0.917 CB 1.432 37 residues pruned to eliminate duplicates Z: 7 2.124 1.417 0.347 0.243 0.667 0.167 N 0.918 6 1.418 1.487 0.569 0.297 0.400 0.400 CB 0.853 ? Z: 14 6.916 1.613 1.173 0.460 0.769 0.615 CB 0.741 8 residues pruned to eliminate duplicates Z: 18 16.263 1.629 0.500 0.876 0.882 0.529 CB 1.329 18 residues pruned to eliminate duplicates Z: 28 27.249 1.731 0.614 0.924 1.000 0.926 CB 1.319 28 residues pruned to eliminate duplicates Z: 24 21.584 1.743 0.383 0.905 0.957 0.957 CB 1.389 24 residues pruned to eliminate duplicates Z: 11 15.395 1.852 0.264 0.875 1.000 0.800 CB 1.512 11 residues pruned to eliminate duplicates Z: 6 5.704 1.649 0.356 0.691 0.800 0.800 CB 1.198 6 residues pruned to eliminate duplicates Z: 22 19.013 1.555 0.558 0.859 0.905 0.810 O 1.393 22 residues pruned to eliminate duplicates Z: 31 40.438 2.016 0.706 0.945 1.000 0.833 CB 1.486 31 residues pruned to eliminate duplicates Z: 12 7.390 1.443 0.293 0.867 1.000 0.727 CB 0.873 12 residues pruned to eliminate duplicates Z: 15 17.566 2.017 0.618 0.787 0.929 0.714 CB 1.204 15 residues pruned to eliminate duplicates Z: 31 33.908 1.995 0.555 0.924 1.000 0.800 CB 1.401 31 residues pruned to eliminate duplicates Z: 38 19.938 1.740 0.320 0.906 0.946 0.811 CB 1.073 38 residues pruned to eliminate duplicates Z: 17 12.271 1.685 0.513 0.717 0.812 0.438 CB 1.217 17 residues pruned to eliminate duplicates Z: 21 19.825 1.801 0.507 0.904 0.950 0.750 CA 1.225 21 residues pruned to eliminate duplicates Z: 13 12.310 1.453 0.625 0.919 1.000 1.000 CA 1.061 Z: 36 27.764 1.726 0.408 0.929 1.000 0.943 CB 1.350 36 residues pruned to eliminate duplicates Z: 27 21.653 1.790 0.822 0.777 0.923 0.577 CB 1.105 27 residues pruned to eliminate duplicates Z: 37 44.420 2.010 0.771 0.930 1.000 0.861 CA 1.454 37 residues pruned to eliminate duplicates Z: 28 30.605 1.928 0.758 0.882 0.889 0.815 CA 1.415 28 residues pruned to eliminate duplicates Z: 22 24.525 1.690 0.656 0.913 1.000 0.762 CB 1.354 23 residues pruned to eliminate duplicates Z: 37 43.528 1.986 0.780 0.928 1.000 0.861 CA 1.437 37 residues pruned to eliminate duplicates Z: 37 47.444 2.026 0.877 0.937 1.000 0.778 CA 1.447 37 residues pruned to eliminate duplicates Z: 11 10.491 1.484 0.497 0.898 1.000 0.800 CB 1.068 11 residues pruned to eliminate duplicates Z: 21 23.058 1.923 0.520 0.897 1.000 0.700 CB 1.263 21 residues pruned to eliminate duplicates Z: 15 17.605 1.923 0.588 0.866 0.929 0.857 CA 1.215 15 residues pruned to eliminate duplicates Z: 6 6.135 1.874 0.249 0.546 0.800 0.400 CB 1.401 6 residues pruned to eliminate duplicates Z: 19 19.459 1.715 0.744 0.880 0.944 0.722 CB 1.177 19 residues pruned to eliminate duplicates Z: 7 4.622 1.409 0.443 0.847 0.833 0.500 CB 0.827 6 residues pruned to eliminate duplicates Z: 32 37.836 1.909 0.846 0.890 0.968 0.710 CB 1.434 32 residues pruned to eliminate duplicates Z: 15 22.032 1.848 0.758 0.878 1.000 0.786 CA 1.316 15 residues pruned to eliminate duplicates Z: 23 17.611 1.522 0.618 0.857 0.909 0.682 CB 1.236 23 residues pruned to eliminate duplicates Z: 27 26.240 1.800 0.520 0.928 1.000 0.923 CA 1.318 27 residues pruned to eliminate duplicates Z: 37 38.748 2.020 0.652 0.926 1.000 0.944 CA 1.358 37 residues pruned to eliminate duplicates Z: 39 35.600 1.927 0.789 0.778 0.947 0.711 CA 1.384 39 residues pruned to eliminate duplicates Z: 21 23.264 1.805 0.590 0.930 1.000 0.650 CA 1.267 21 residues pruned to eliminate duplicates Z: 12 4.261 1.436 0.252 0.374 0.727 0.455 CB 1.124 Z: 42 26.842 1.896 0.397 0.646 0.951 0.659 CA 1.452 42 residues pruned to eliminate duplicates Z: 28 29.814 1.819 0.893 0.912 0.926 0.593 CB 1.274 28 residues pruned to eliminate duplicates Z: 29 44.649 1.972 1.098 0.963 1.000 0.643 CB 1.394 29 residues pruned to eliminate duplicates Z: 8 3.218 1.622 0.426 0.536 0.571 0.429 CB 0.889 Z: 10 11.282 1.567 0.453 0.864 1.000 0.778 CA 1.211 10 residues pruned to eliminate duplicates Z: 19 18.943 1.831 0.459 0.888 1.000 0.889 CA 1.205 19 residues pruned to eliminate duplicates Z: 35 23.657 1.842 0.365 0.936 1.000 0.941 CB 1.124 35 residues pruned to eliminate duplicates Z: 10 12.677 1.502 0.673 0.835 1.000 0.667 CA 1.260 10 residues pruned to eliminate duplicates Z: 15 12.634 1.467 0.827 0.872 1.000 0.571 CB 0.918 13 residues pruned to eliminate duplicates Z: 22 29.039 1.937 0.856 0.757 0.905 0.571 CA 1.549 22 residues pruned to eliminate duplicates Z: 14 19.697 1.837 0.822 0.921 1.000 0.846 CB 1.148 22 residues pruned to eliminate duplicates Z: 20 21.596 1.835 0.861 0.932 1.000 0.789 CB 1.013 20 residues pruned to eliminate duplicates Z: 30 25.351 1.884 0.813 0.712 0.897 0.655 CB 1.269 30 residues pruned to eliminate duplicates Z: 25 19.275 1.732 0.372 0.932 0.958 0.875 CA 1.207 24 residues pruned to eliminate duplicates Z: 20 18.160 1.694 0.647 0.768 0.842 0.632 CB 1.399 20 residues pruned to eliminate duplicates Z: 19 18.357 1.826 0.808 0.838 0.833 0.389 CB 1.175 19 residues pruned to eliminate duplicates Z: 20 15.881 1.671 0.535 0.736 0.842 0.632 CB 1.366 20 residues pruned to eliminate duplicates Z: 20 21.953 1.752 0.760 0.849 0.947 0.579 CB 1.278 20 residues pruned to eliminate duplicates Z: 30 19.334 1.553 0.307 0.897 1.000 0.862 CB 1.266 30 residues pruned to eliminate duplicates Z: 8 10.857 1.762 0.440 0.706 1.000 0.714 CA 1.341 8 residues pruned to eliminate duplicates Z: 29 44.104 1.953 1.063 0.945 1.000 0.679 CB 1.432 29 residues pruned to eliminate duplicates Z: 19 19.995 1.751 0.572 0.856 0.944 0.833 CA 1.337 19 residues pruned to eliminate duplicates Z: 6 3.861 1.658 0.000 0.695 1.000 0.800 CB 0.871 4 residues pruned to eliminate duplicates Z: 7 12.284 1.728 0.963 0.861 1.000 0.500 CB 1.087 13 residues pruned to eliminate duplicates Z: 15 13.862 1.428 0.734 0.896 0.929 0.786 CA 1.154 13 residues pruned to eliminate duplicates Z: 11 8.920 1.710 0.665 0.902 0.900 0.800 CB 0.785 11 residues pruned to eliminate duplicates Z: 37 24.900 1.747 0.465 0.897 0.944 0.722 CB 1.228 37 residues pruned to eliminate duplicates Z: 9 9.045 1.772 0.822 0.517 0.750 0.625 CA 1.298 9 residues pruned to eliminate duplicates Z: 12 5.702 1.377 0.815 0.399 0.727 0.455 C 1.052 Z: 17 5.981 1.529 0.276 0.395 0.812 0.625 CB 1.054 17 residues pruned to eliminate duplicates Z: 23 22.432 1.938 0.753 0.680 0.864 0.773 CA 1.382 23 residues pruned to eliminate duplicates Z: 23 16.006 1.870 0.376 0.712 1.000 0.636 CB 1.094 26 residues pruned to eliminate duplicates Z: 12 14.122 1.745 0.467 0.835 0.909 0.545 N 1.371 12 residues pruned to eliminate duplicates Z: 24 19.799 1.565 0.632 0.890 0.870 0.696 N 1.337 22 residues pruned to eliminate duplicates Z: 11 12.152 1.522 0.684 0.836 0.900 0.500 N 1.247 11 residues pruned to eliminate duplicates Z: 27 23.680 1.735 0.580 0.921 0.962 0.923 CB 1.240 27 residues pruned to eliminate duplicates Z: 10 10.842 1.572 0.695 0.834 0.889 0.778 CB 1.143 10 residues pruned to eliminate duplicates Z: 36 28.143 1.705 0.468 0.887 0.971 0.829 CA 1.410 36 residues pruned to eliminate duplicates Z: 21 13.002 1.751 0.159 0.725 0.900 0.800 CB 1.299 21 residues pruned to eliminate duplicates Z: 31 35.594 1.931 0.873 0.925 0.967 0.567 CB 1.304 31 residues pruned to eliminate duplicates Z: 24 17.527 1.616 0.531 0.820 1.000 0.652 CB 1.119 24 residues pruned to eliminate duplicates Z: 27 27.961 1.841 0.881 0.799 0.923 0.577 CB 1.321 27 residues pruned to eliminate duplicates Z: 6 2.024 1.312 0.547 0.317 0.600 0.400 N 0.910 Z: 14 11.083 1.703 0.592 0.470 0.923 0.462 CA 1.266 9 residues pruned to eliminate duplicates Z: 24 20.917 1.559 0.696 0.884 1.000 0.826 CB 1.192 24 residues pruned to eliminate duplicates Z: 24 20.566 1.557 0.486 0.893 0.957 0.739 O 1.391 24 residues pruned to eliminate duplicates Z: 6 2.748 1.395 0.277 0.551 0.800 0.400 CB 0.821 6 1.372 1.053 0.435 0.288 0.800 0.600 CB 0.644 ? Z: 12 11.580 1.827 0.307 0.863 1.000 1.000 CA 1.073 12 residues pruned to eliminate duplicates Z: 10 6.978 1.596 0.831 0.467 0.667 0.556 N 1.235 10 residues pruned to eliminate duplicates Z: 21 29.054 1.971 0.789 0.781 0.950 0.800 CB 1.514 21 residues pruned to eliminate duplicates Z: 6 4.733 1.670 0.689 0.866 1.000 1.000 CB 0.549 Z: 10 7.929 1.446 0.253 0.816 1.000 0.556 CB 1.108 10 residues pruned to eliminate duplicates Z: 18 24.177 1.941 0.614 0.911 0.941 0.824 CA 1.409 18 residues pruned to eliminate duplicates Z: 26 25.634 1.978 0.540 0.651 0.960 0.600 CB 1.522 26 residues pruned to eliminate duplicates Z: 23 20.149 1.816 0.388 0.928 0.955 0.955 CA 1.250 23 residues pruned to eliminate duplicates Z: 17 15.427 1.792 0.420 0.903 0.875 0.750 CB 1.234 17 residues pruned to eliminate duplicates Z: 33 38.501 2.015 0.924 0.856 0.906 0.656 CB 1.429 33 residues pruned to eliminate duplicates Z: 36 42.372 1.998 0.822 0.938 0.971 0.743 CA 1.408 36 residues pruned to eliminate duplicates Z: 37 27.163 1.725 0.531 0.905 0.972 0.833 CB 1.255 37 residues pruned to eliminate duplicates Z: 29 22.266 1.591 0.410 0.910 1.000 0.857 CB 1.331 29 residues pruned to eliminate duplicates Z: 29 32.989 1.766 0.768 0.951 1.000 0.964 CB 1.376 29 residues pruned to eliminate duplicates Z: 44 35.819 2.043 0.520 0.823 0.977 0.791 CA 1.361 44 residues pruned to eliminate duplicates Z: 20 21.693 1.842 0.551 0.905 1.000 0.895 CA 1.240 20 residues pruned to eliminate duplicates Z: 29 24.286 1.978 0.663 0.825 0.893 0.750 CA 1.179 29 residues pruned to eliminate duplicates Z: 13 5.644 1.455 0.518 0.411 0.667 0.250 CB 1.215 13 residues pruned to eliminate duplicates Z: 7 3.685 1.536 0.066 0.494 1.000 0.500 CB 0.925 Z: 13 18.679 1.848 0.949 0.909 1.000 0.917 CB 1.063 13 residues pruned to eliminate duplicates Z: 9 12.049 1.640 0.692 0.887 1.000 0.750 CB 1.107 Z: 6 4.077 1.682 0.798 0.746 0.800 0.800 CB 0.605 Z: 15 21.562 1.871 0.564 0.924 1.000 1.000 CA 1.382 15 residues pruned to eliminate duplicates Z: 6 5.516 1.175 1.319 0.752 0.800 0.400 CA 0.904 Z: 7 4.730 1.148 0.563 0.732 1.000 0.500 C 0.874 Z: 31 40.960 1.921 1.149 0.886 0.933 0.600 CB 1.400 31 residues pruned to eliminate duplicates Z: 16 14.906 1.484 0.473 0.851 1.000 0.733 N 1.303 16 residues pruned to eliminate duplicates Z: 12 6.841 1.649 0.362 0.658 0.727 0.727 CB 1.091 12 residues pruned to eliminate duplicates Z: 13 9.346 1.543 0.412 0.824 0.833 0.500 CB 1.122 13 residues pruned to eliminate duplicates Z: 8 5.016 1.593 0.623 0.458 0.857 0.571 CB 0.893 Z: 38 16.999 1.860 0.286 0.589 0.838 0.622 CB 1.280 38 residues pruned to eliminate duplicates Z: 27 36.206 1.995 0.717 0.941 0.923 0.808 CB 1.558 32 residues pruned to eliminate duplicates Z: 21 21.286 1.808 0.642 0.919 0.950 0.700 CB 1.190 21 residues pruned to eliminate duplicates Z: 14 23.066 1.863 0.725 0.926 1.000 0.923 CA 1.396 14 residues pruned to eliminate duplicates Z: 57 41.528 2.017 0.652 0.760 0.946 0.839 CA 1.396 57 residues pruned to eliminate duplicates Z: 13 12.678 1.671 0.790 0.874 0.917 0.583 CB 0.972 22 residues pruned to eliminate duplicates Z: 18 17.029 1.843 0.465 0.569 0.882 0.647 CB 1.622 18 residues pruned to eliminate duplicates Z: 6 4.560 1.447 0.789 0.371 0.800 0.800 N 1.130 Z: 30 19.345 1.738 0.928 0.661 0.828 0.552 CB 1.116 29 residues pruned to eliminate duplicates Z: 9 3.302 1.476 0.737 0.656 0.875 0.750 CB 0.450 Z: 13 14.070 1.550 0.633 0.851 1.000 0.750 CB 1.188 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 5.546 1.341 0.479 0.854 0.857 0.429 N 0.910 6 residues pruned to eliminate duplicates Z: 7 4.822 1.267 0.217 0.796 1.000 0.500 O 0.985 7 residues pruned to eliminate duplicates Z: 7 3.353 1.295 0.248 0.526 0.833 0.667 CB 0.991 7 residues pruned to eliminate duplicates Z: 9 8.684 1.446 0.568 0.702 1.000 0.500 N 1.126 9 residues pruned to eliminate duplicates Z: 11 6.980 1.338 0.322 0.714 1.000 0.500 CB 1.027 10 residues pruned to eliminate duplicates Z: 28 20.595 1.611 0.444 0.896 1.000 0.704 CB 1.221 28 residues pruned to eliminate duplicates Z: 17 12.985 1.447 0.526 0.796 0.938 0.688 CB 1.211 17 residues pruned to eliminate duplicates Z: 52 24.912 1.694 0.419 0.738 0.922 0.706 CB 1.273 52 residues pruned to eliminate duplicates Z: 15 13.230 1.484 0.370 0.927 1.000 0.929 CA 1.219 17 residues pruned to eliminate duplicates Z: 19 14.705 1.528 0.514 0.837 1.000 0.667 CB 1.121 19 residues pruned to eliminate duplicates Z: 12 8.104 1.499 0.516 0.568 0.818 0.727 CA 1.230 12 residues pruned to eliminate duplicates Z: 11 12.741 1.552 0.618 0.848 0.900 0.600 CB 1.322 11 residues pruned to eliminate duplicates Z: 45 26.277 1.728 0.570 0.791 0.932 0.705 CB 1.213 45 residues pruned to eliminate duplicates Z: 52 23.493 1.694 0.584 0.694 0.922 0.784 CB 1.114 52 residues pruned to eliminate duplicates Z: 44 31.310 1.786 0.642 0.848 1.000 0.698 CB 1.208 44 residues pruned to eliminate duplicates Z: 40 23.124 1.764 0.505 0.817 0.949 0.769 CB 1.116 40 residues pruned to eliminate duplicates Z: 26 19.922 1.720 0.415 0.738 1.000 0.680 CB 1.322 26 residues pruned to eliminate duplicates Z: 42 25.489 1.737 0.547 0.803 0.878 0.634 CB 1.294 42 residues pruned to eliminate duplicates Z: 37 27.857 1.818 0.611 0.860 1.000 0.778 CB 1.166 37 residues pruned to eliminate duplicates Z: 34 21.006 1.717 0.429 0.798 0.970 0.667 CB 1.185 34 residues pruned to eliminate duplicates Z: 27 22.690 1.753 0.587 0.793 1.000 0.808 CB 1.237 27 residues pruned to eliminate duplicates Z: 41 25.826 1.728 0.591 0.767 0.975 0.800 CB 1.203 41 residues pruned to eliminate duplicates Z: 39 23.233 1.758 0.444 0.781 0.947 0.632 CB 1.223 39 residues pruned to eliminate duplicates Z: 39 23.278 1.727 0.637 0.659 0.947 0.658 CB 1.217 39 residues pruned to eliminate duplicates Z: 23 23.027 1.757 0.495 0.827 1.000 0.909 CB 1.409 23 residues pruned to eliminate duplicates Z: 39 26.992 1.794 0.502 0.821 0.947 0.737 CB 1.299 39 residues pruned to eliminate duplicates Z: 33 23.869 1.853 0.494 0.749 0.969 0.781 CB 1.259 33 residues pruned to eliminate duplicates Z: 36 22.745 1.746 0.600 0.755 0.971 0.800 CB 1.129 36 residues pruned to eliminate duplicates Z: 33 23.096 1.789 0.522 0.743 0.969 0.750 CB 1.245 33 residues pruned to eliminate duplicates Z: 41 25.359 1.796 0.522 0.800 0.950 0.700 CB 1.188 41 residues pruned to eliminate duplicates Z: 45 28.079 1.727 0.554 0.790 0.977 0.705 CB 1.251 45 residues pruned to eliminate duplicates Z: 21 14.428 1.889 0.241 0.689 0.900 0.600 CB 1.286 21 residues pruned to eliminate duplicates Z: 30 21.081 1.837 0.568 0.673 0.897 0.621 CB 1.292 30 residues pruned to eliminate duplicates Z: 37 19.984 1.775 0.550 0.642 0.861 0.667 CB 1.232 37 residues pruned to eliminate duplicates Z: 20 19.724 1.850 0.651 0.889 0.947 0.895 CB 1.126 20 residues pruned to eliminate duplicates Z: 36 28.562 1.848 0.514 0.835 1.000 0.800 CB 1.293 36 residues pruned to eliminate duplicates Z: 40 29.825 1.803 0.691 0.844 0.949 0.769 CB 1.229 40 residues pruned to eliminate duplicates Z: 40 29.766 1.782 0.726 0.832 1.000 0.744 CB 1.164 40 residues pruned to eliminate duplicates Z: 34 25.086 1.789 0.713 0.784 0.939 0.576 CB 1.181 34 residues pruned to eliminate duplicates Z: 46 27.881 1.739 0.737 0.770 0.911 0.711 CB 1.189 46 residues pruned to eliminate duplicates Z: 36 19.577 1.684 0.794 0.580 0.914 0.486 CB 1.110 55 residues pruned to eliminate duplicates Z: 30 28.789 1.826 0.762 0.913 0.966 0.621 CB 1.218 30 residues pruned to eliminate duplicates Z: 43 25.279 1.753 0.723 0.830 0.905 0.548 CB 1.073 43 residues pruned to eliminate duplicates Z: 49 26.822 1.718 0.689 0.803 0.958 0.479 CB 1.069 49 residues pruned to eliminate duplicates Z: 34 24.837 1.856 0.630 0.749 1.000 0.576 CB 1.145 34 residues pruned to eliminate duplicates Z: 47 29.150 1.775 0.561 0.794 0.978 0.696 CB 1.225 47 residues pruned to eliminate duplicates Z: 57 33.679 1.803 0.630 0.852 0.946 0.643 CB 1.196 57 residues pruned to eliminate duplicates Z: 10 13.006 1.808 0.606 0.602 0.889 0.667 CA 1.524 Z: 35 28.615 1.835 0.767 0.941 0.971 0.618 CB 1.082 45 residues pruned to eliminate duplicates Z: 16 19.134 1.808 0.649 0.872 1.000 0.800 CB 1.207 16 residues pruned to eliminate duplicates Z: 15 17.644 1.752 0.602 0.709 0.929 0.643 CA 1.496 Z: 38 30.319 1.773 0.770 0.937 1.000 0.622 CB 1.105 53 residues pruned to eliminate duplicates Z: 40 29.204 1.880 0.720 0.853 0.949 0.615 CB 1.127 40 residues pruned to eliminate duplicates Z: 16 19.864 1.844 0.580 0.881 1.000 0.867 CB 1.275 Z: 35 27.119 1.826 0.849 0.935 0.941 0.647 CB 1.020 51 residues pruned to eliminate duplicates Z: 17 19.071 1.835 0.466 0.884 0.938 0.562 CB 1.366 Z: 17 19.756 1.818 0.523 0.872 0.938 0.688 CB 1.387 17 residues pruned to eliminate duplicates Z: 17 16.935 1.779 0.375 0.887 1.000 0.750 CB 1.247 16 residues pruned to eliminate duplicates Z: 16 18.737 1.775 0.685 0.887 1.000 0.533 CB 1.166 16 residues pruned to eliminate duplicates Z: 13 14.786 1.833 0.455 0.830 0.833 0.667 CB 1.444 13 residues pruned to eliminate duplicates Z: 53 34.055 1.807 0.735 0.816 0.962 0.654 CB 1.190 71 residues pruned to eliminate duplicates Z: 9 12.852 1.810 0.295 0.870 1.000 0.625 CB 1.415 Z: 15 19.124 1.850 0.773 0.897 0.857 0.714 CB 1.301 9 residues pruned to eliminate duplicates Z: 15 12.683 1.410 0.619 0.919 1.000 0.857 CA 1.047 15 residues pruned to eliminate duplicates Z: 13 12.713 1.425 0.644 0.923 1.000 0.750 CA 1.101 13 residues pruned to eliminate duplicates Z: 6 7.397 1.478 0.787 0.836 0.800 0.400 CA 1.172 6 residues pruned to eliminate duplicates Z: 9 11.057 1.555 0.469 0.774 1.000 0.750 CA 1.343 9 residues pruned to eliminate duplicates Z: 12 8.340 1.361 0.598 0.657 0.818 0.636 C 1.221 12 residues pruned to eliminate duplicates Z: 10 12.076 1.528 0.403 0.896 1.000 0.667 CA 1.345 10 residues pruned to eliminate duplicates Z: 10 12.396 1.499 0.577 0.902 1.000 0.778 CB 1.247 10 residues pruned to eliminate duplicates Z: 9 4.595 1.446 0.627 0.531 0.875 0.500 CB 0.766 9 residues pruned to eliminate duplicates Z: 8 4.397 1.455 0.466 0.488 0.714 0.429 CB 1.104 8 residues pruned to eliminate duplicates Z: 7 4.699 1.379 0.122 0.844 1.000 0.667 CA 0.922 7 residues pruned to eliminate duplicates Z: 12 11.841 1.582 0.500 0.710 1.000 0.455 CA 1.244 10 residues pruned to eliminate duplicates Z: 13 12.058 1.517 0.665 0.773 0.917 0.667 CB 1.181 13 residues pruned to eliminate duplicates Z: 10 9.133 1.529 0.505 0.703 0.889 0.556 CB 1.237 10 residues pruned to eliminate duplicates Z: 10 6.424 1.412 0.396 0.456 1.000 0.556 CB 1.137 10 residues pruned to eliminate duplicates Z: 12 8.927 1.582 0.476 0.654 0.818 0.455 CB 1.220 12 residues pruned to eliminate duplicates Z: 13 10.176 1.542 0.718 0.608 0.833 0.417 CB 1.201 13 residues pruned to eliminate duplicates Z: 12 10.933 1.506 0.761 0.584 0.909 0.364 CA 1.261 12 residues pruned to eliminate duplicates Z: 12 11.681 1.607 0.870 0.576 0.818 0.545 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 9.930 1.446 0.784 0.604 0.833 0.417 CB 1.207 13 residues pruned to eliminate duplicates Z: 12 9.048 1.489 0.766 0.717 0.818 0.545 CB 1.042 12 residues pruned to eliminate duplicates Z: 15 17.399 1.528 1.025 0.855 0.929 0.786 CB 1.194 15 residues pruned to eliminate duplicates Z: 14 16.473 1.540 0.822 0.906 0.923 0.692 CA 1.254 14 residues pruned to eliminate duplicates Z: 10 10.941 1.510 0.803 0.714 0.889 0.667 CB 1.241 10 residues pruned to eliminate duplicates Z: 10 9.735 1.520 0.993 0.797 0.778 0.333 CB 1.061 10 residues pruned to eliminate duplicates Z: 17 11.649 1.453 0.401 0.854 0.938 0.812 CB 1.127 17 residues pruned to eliminate duplicates Z: 13 9.654 1.434 0.579 0.751 0.917 0.750 CB 1.074 13 residues pruned to eliminate duplicates Z: 11 7.607 1.468 0.249 0.904 1.000 0.800 CA 0.934 11 residues pruned to eliminate duplicates Z: 9 5.151 1.496 0.272 0.526 0.875 0.625 CA 1.066 9 residues pruned to eliminate duplicates Z: 7 6.925 1.475 0.466 0.696 1.000 0.667 CA 1.094 7 residues pruned to eliminate duplicates Z: 14 9.128 1.517 0.472 0.834 0.846 0.615 CB 1.004 14 residues pruned to eliminate duplicates Z: 12 8.698 1.471 0.491 0.846 1.000 0.545 CB 0.888 12 residues pruned to eliminate duplicates Z: 11 10.244 1.528 0.350 0.788 1.000 0.700 CB 1.219 11 residues pruned to eliminate duplicates Z: 14 9.281 1.530 0.347 0.672 0.846 0.692 CB 1.260 14 residues pruned to eliminate duplicates Z: 12 9.755 1.523 0.354 0.800 0.909 0.727 N 1.207 12 residues pruned to eliminate duplicates Z: 10 10.331 1.616 0.414 0.882 0.889 0.889 CB 1.227 10 residues pruned to eliminate duplicates Z: 12 11.557 1.545 0.376 0.753 1.000 0.727 CB 1.309 12 residues pruned to eliminate duplicates Z: 12 9.410 1.491 0.682 0.810 0.909 0.909 CB 0.950 12 residues pruned to eliminate duplicates Z: 19 24.248 1.836 0.889 0.828 0.889 0.778 CA 1.396 19 residues pruned to eliminate duplicates Z: 59 53.055 2.020 0.690 0.867 1.000 0.724 CA 1.492 59 residues pruned to eliminate duplicates Z: 33 31.257 1.941 0.701 0.819 0.938 0.750 CA 1.353 33 residues pruned to eliminate duplicates Z: 61 53.024 2.044 0.744 0.816 0.983 0.717 CA 1.483 61 residues pruned to eliminate duplicates Z: 16 23.338 1.840 0.901 0.801 0.933 0.600 CB 1.419 16 residues pruned to eliminate duplicates Z: 16 27.662 1.856 1.006 0.847 1.000 0.667 CB 1.424 16 residues pruned to eliminate duplicates Z: 54 54.169 2.056 0.755 0.883 0.962 0.811 CA 1.549 54 residues pruned to eliminate duplicates Z: 58 51.289 2.049 0.749 0.839 0.965 0.719 CA 1.468 58 residues pruned to eliminate duplicates Z: 17 24.058 1.896 0.966 0.885 0.938 0.562 CB 1.243 17 residues pruned to eliminate duplicates Z: 15 26.489 1.817 1.210 0.895 0.929 0.500 CB 1.361 15 residues pruned to eliminate duplicates Z: 18 27.104 1.829 0.916 0.862 1.000 0.824 CB 1.377 18 residues pruned to eliminate duplicates Z: 19 25.291 1.791 0.990 0.845 0.944 0.500 CB 1.317 19 residues pruned to eliminate duplicates Z: 65 56.725 2.039 0.737 0.879 0.984 0.812 CA 1.476 65 residues pruned to eliminate duplicates Z: 58 52.407 2.029 0.742 0.869 0.982 0.842 CA 1.460 58 residues pruned to eliminate duplicates Z: 56 57.228 2.056 0.849 0.868 0.982 0.745 CA 1.511 56 residues pruned to eliminate duplicates Z: 57 54.480 2.038 0.852 0.869 0.982 0.768 CA 1.434 57 residues pruned to eliminate duplicates Z: 59 56.450 2.010 0.869 0.862 1.000 0.724 CA 1.448 59 residues pruned to eliminate duplicates Z: 53 50.593 2.033 0.908 0.817 0.981 0.750 CA 1.400 53 residues pruned to eliminate duplicates Z: 64 52.937 1.994 0.832 0.817 0.968 0.651 CB 1.431 64 residues pruned to eliminate duplicates Z: 55 54.484 2.046 0.903 0.849 0.963 0.741 CA 1.466 55 residues pruned to eliminate duplicates Z: 65 52.218 2.013 0.660 0.861 1.000 0.734 CA 1.435 30 residues pruned to eliminate duplicates Z: 37 47.812 2.035 0.938 0.929 0.972 0.722 CA 1.455 37 residues pruned to eliminate duplicates Z: 21 32.854 2.016 0.841 0.875 0.950 0.750 CA 1.515 21 residues pruned to eliminate duplicates Z: 52 45.552 2.037 0.836 0.724 0.980 0.745 CA 1.421 52 residues pruned to eliminate duplicates Z: 56 51.222 2.017 0.815 0.832 0.945 0.745 CA 1.498 56 residues pruned to eliminate duplicates Z: 60 54.240 2.011 0.835 0.853 0.983 0.678 CA 1.439 60 residues pruned to eliminate duplicates Z: 58 50.271 2.012 0.801 0.864 0.947 0.754 CA 1.422 58 residues pruned to eliminate duplicates Z: 62 51.260 1.996 0.808 0.831 0.984 0.738 CA 1.389 62 residues pruned to eliminate duplicates Z: 41 32.102 1.970 0.639 0.648 0.950 0.650 CA 1.441 41 residues pruned to eliminate duplicates Z: 70 58.529 2.063 0.771 0.852 0.942 0.739 CB 1.515 70 residues pruned to eliminate duplicates Z: 37 50.576 1.954 1.053 0.924 1.000 0.722 CA 1.475 37 residues pruned to eliminate duplicates Z: 37 42.578 1.992 0.922 0.912 1.000 0.750 CA 1.313 37 residues pruned to eliminate duplicates Z: 53 48.647 2.026 0.888 0.763 0.942 0.615 CA 1.481 53 residues pruned to eliminate duplicates Z: 54 40.700 1.996 0.729 0.724 0.962 0.717 CA 1.375 54 residues pruned to eliminate duplicates Z: 58 56.533 2.019 1.006 0.799 0.947 0.596 CB 1.502 58 residues pruned to eliminate duplicates Z: 61 44.317 2.007 0.721 0.762 0.950 0.683 CA 1.381 61 residues pruned to eliminate duplicates Z: 54 59.841 2.051 0.947 0.860 1.000 0.811 CA 1.514 54 residues pruned to eliminate duplicates Z: 52 51.619 2.096 0.763 0.848 0.980 0.784 CB 1.480 52 residues pruned to eliminate duplicates Z: 74 49.040 2.023 0.715 0.739 0.918 0.726 CB 1.455 74 residues pruned to eliminate duplicates Z: 57 57.503 2.032 0.865 0.876 1.000 0.768 CA 1.474 57 residues pruned to eliminate duplicates Z: 48 41.275 2.008 0.767 0.733 0.936 0.702 CA 1.470 48 residues pruned to eliminate duplicates Z: 55 58.010 2.062 0.886 0.871 0.981 0.704 CB 1.508 55 residues pruned to eliminate duplicates Z: 59 55.922 2.045 0.810 0.855 1.000 0.741 CA 1.465 59 residues pruned to eliminate duplicates Z: 40 45.844 2.105 0.747 0.828 0.974 0.744 CA 1.543 40 residues pruned to eliminate duplicates Z: 43 46.313 2.051 0.853 0.814 0.976 0.810 CA 1.466 43 residues pruned to eliminate duplicates Z: 41 48.344 2.085 0.983 0.824 0.950 0.675 CB 1.470 41 residues pruned to eliminate duplicates Z: 52 42.186 2.020 0.751 0.782 0.941 0.686 CB 1.384 52 residues pruned to eliminate duplicates Z: 65 61.817 2.046 0.906 0.843 0.984 0.812 CA 1.498 65 residues pruned to eliminate duplicates Z: 62 58.352 2.072 0.914 0.874 0.984 0.705 CB 1.394 62 residues pruned to eliminate duplicates Z: 60 50.596 2.049 0.865 0.815 0.932 0.644 CB 1.406 60 residues pruned to eliminate duplicates Z: 19 18.046 2.049 0.662 0.819 0.889 0.667 CB 1.066 19 residues pruned to eliminate duplicates Z: 60 66.660 2.090 0.997 0.884 0.983 0.763 CB 1.528 60 residues pruned to eliminate duplicates Z: 56 49.620 2.050 0.837 0.739 1.000 0.636 CA 1.434 56 residues pruned to eliminate duplicates Z: 60 57.904 2.088 0.904 0.869 0.949 0.729 CB 1.459 60 residues pruned to eliminate duplicates Z: 47 50.744 2.125 0.913 0.857 0.957 0.652 CB 1.418 47 residues pruned to eliminate duplicates Z: 74 61.062 2.020 0.848 0.864 0.986 0.726 CB 1.423 74 residues pruned to eliminate duplicates Z: 29 26.950 1.981 0.979 0.732 0.964 0.357 CB 1.094 29 residues pruned to eliminate duplicates Z: 65 59.059 2.041 0.892 0.861 0.984 0.656 CB 1.427 65 residues pruned to eliminate duplicates Z: 11 9.322 1.944 0.804 0.695 0.800 0.500 CB 0.879 11 residues pruned to eliminate duplicates Z: 18 15.266 2.013 0.792 0.540 0.824 0.412 CB 1.199 18 residues pruned to eliminate duplicates Z: 15 25.025 2.081 1.059 0.640 0.929 0.357 CB 1.474 15 residues pruned to eliminate duplicates Z: 66 52.842 2.010 0.830 0.767 0.954 0.692 CB 1.475 66 residues pruned to eliminate duplicates Z: 9 14.685 2.005 1.067 0.639 0.750 0.625 CB 1.466 9 residues pruned to eliminate duplicates Z: 16 15.255 1.996 0.790 0.596 0.867 0.267 CB 1.160 16 residues pruned to eliminate duplicates Z: 69 61.581 2.027 1.070 0.834 0.941 0.647 CB 1.418 69 residues pruned to eliminate duplicates Z: 54 40.980 2.048 0.879 0.740 0.868 0.491 CB 1.359 54 residues pruned to eliminate duplicates Z: 9 5.443 1.785 0.709 0.483 0.500 0.125 CB 1.283 9 residues pruned to eliminate duplicates Z: 19 9.304 1.761 0.746 0.458 0.778 0.389 CB 0.957 19 residues pruned to eliminate duplicates Z: 99 71.918 2.054 0.912 0.825 0.949 0.622 CB 1.471 99 residues pruned to eliminate duplicates Z: 53 47.492 2.045 0.778 0.795 0.981 0.827 CA 1.426 53 residues pruned to eliminate duplicates Z: 56 49.046 2.054 0.867 0.807 0.945 0.655 CB 1.396 58 residues pruned to eliminate duplicates Z: 30 44.528 2.113 0.951 0.944 1.000 0.828 CA 1.389 30 residues pruned to eliminate duplicates Z: 50 44.261 2.046 0.863 0.778 0.918 0.735 CB 1.413 50 residues pruned to eliminate duplicates Z: 55 44.232 2.029 0.736 0.787 0.944 0.778 CA 1.406 55 residues pruned to eliminate duplicates Z: 31 24.037 1.952 0.678 0.684 0.833 0.567 CB 1.358 31 residues pruned to eliminate duplicates Z: 56 48.489 2.059 0.771 0.801 0.964 0.855 CA 1.430 56 residues pruned to eliminate duplicates Z: 32 43.779 2.077 0.838 0.903 1.000 0.871 CA 1.468 32 residues pruned to eliminate duplicates Z: 20 22.324 2.028 0.573 0.851 0.947 0.842 CA 1.254 20 residues pruned to eliminate duplicates Z: 45 41.191 2.064 0.655 0.796 0.955 0.818 CB 1.469 45 residues pruned to eliminate duplicates Z: 32 40.847 2.090 0.672 0.922 1.000 0.968 CA 1.476 32 residues pruned to eliminate duplicates Z: 85 58.588 2.047 0.785 0.783 0.976 0.655 CB 1.397 85 residues pruned to eliminate duplicates Z: 64 48.665 2.038 0.693 0.796 0.937 0.730 CA 1.464 64 residues pruned to eliminate duplicates Z: 43 35.290 2.075 0.614 0.742 0.952 0.738 CA 1.374 43 residues pruned to eliminate duplicates Z: 52 47.399 2.074 0.696 0.817 0.980 0.882 CA 1.462 52 residues pruned to eliminate duplicates Z: 55 48.668 2.063 0.737 0.842 0.981 0.796 CA 1.403 55 residues pruned to eliminate duplicates Z: 53 53.459 2.102 0.767 0.859 0.981 0.865 CA 1.497 53 residues pruned to eliminate duplicates Z: 52 47.521 2.062 0.717 0.812 0.961 0.784 CA 1.491 52 residues pruned to eliminate duplicates Z: 33 48.245 2.094 0.978 0.896 1.000 0.781 CA 1.475 33 residues pruned to eliminate duplicates Z: 32 45.913 2.093 0.943 0.930 0.968 0.871 CA 1.465 32 residues pruned to eliminate duplicates Z: 46 39.420 2.031 0.728 0.733 0.933 0.778 CB 1.455 46 residues pruned to eliminate duplicates Z: 41 42.470 2.082 0.719 0.821 0.950 0.825 CB 1.494 41 residues pruned to eliminate duplicates Z: 48 41.990 2.064 0.827 0.793 0.894 0.809 CA 1.406 48 residues pruned to eliminate duplicates Z: 53 52.550 2.106 0.835 0.844 0.981 0.885 CA 1.431 53 residues pruned to eliminate duplicates Z: 30 47.852 2.135 0.919 0.954 1.000 0.828 CA 1.492 30 residues pruned to eliminate duplicates Z: 46 39.544 2.034 0.819 0.728 0.933 0.644 CA 1.390 46 residues pruned to eliminate duplicates Z: 55 50.153 2.036 0.783 0.818 0.963 0.778 CB 1.482 55 residues pruned to eliminate duplicates Z: 43 42.130 2.065 0.815 0.768 0.929 0.833 CA 1.473 43 residues pruned to eliminate duplicates Z: 51 50.450 2.070 0.884 0.826 0.960 0.840 CB 1.437 51 residues pruned to eliminate duplicates Z: 91 58.359 1.998 0.863 0.759 0.933 0.689 CB 1.406 91 residues pruned to eliminate duplicates Z: 53 49.936 2.067 0.831 0.834 0.962 0.788 CA 1.426 53 residues pruned to eliminate duplicates Z: 64 52.204 2.022 0.726 0.825 0.968 0.762 CB 1.469 64 residues pruned to eliminate duplicates Z: 24 20.708 1.942 0.466 0.599 0.957 0.739 CA 1.442 24 residues pruned to eliminate duplicates Z: 54 53.333 2.051 0.948 0.817 0.943 0.717 CA 1.476 54 residues pruned to eliminate duplicates Z: 24 31.908 2.015 0.801 0.791 1.000 0.783 CB 1.420 24 residues pruned to eliminate duplicates Z: 24 32.470 2.029 0.881 0.750 0.957 0.826 CA 1.484 24 residues pruned to eliminate duplicates Z: 50 49.960 2.114 0.818 0.820 0.980 0.837 CA 1.436 50 residues pruned to eliminate duplicates Z: 26 25.623 1.946 0.712 0.745 0.920 0.680 CA 1.343 26 residues pruned to eliminate duplicates Z: 62 55.472 2.064 0.750 0.868 1.000 0.836 CA 1.437 62 residues pruned to eliminate duplicates Z: 58 56.579 2.089 0.802 0.875 0.965 0.789 CA 1.501 58 residues pruned to eliminate duplicates Z: 64 54.918 2.050 0.908 0.754 0.937 0.683 CA 1.506 64 residues pruned to eliminate duplicates Z: 25 22.728 1.999 0.663 0.722 0.833 0.625 CA 1.370 25 residues pruned to eliminate duplicates Z: 50 42.565 1.986 0.939 0.754 0.857 0.551 CB 1.469 50 residues pruned to eliminate duplicates Z: 55 53.290 2.081 0.880 0.827 0.963 0.741 CA 1.451 55 residues pruned to eliminate duplicates Z: 27 24.712 1.945 0.653 0.650 0.923 0.538 CA 1.419 27 residues pruned to eliminate duplicates Z: 27 32.386 2.046 0.623 0.818 0.962 0.731 CA 1.510 27 residues pruned to eliminate duplicates Z: 26 30.699 2.014 0.789 0.778 0.960 0.640 CB 1.389 26 residues pruned to eliminate duplicates Z: 55 48.932 2.090 0.818 0.827 0.926 0.815 CA 1.426 55 residues pruned to eliminate duplicates Z: 54 56.780 2.085 0.991 0.824 0.981 0.717 CA 1.446 54 residues pruned to eliminate duplicates Z: 20 30.196 1.996 0.905 0.860 1.000 0.632 CA 1.340 20 residues pruned to eliminate duplicates Z: 129 79.383 2.042 0.878 0.804 0.945 0.688 CB 1.485 129 residues pruned to eliminate duplicates Z: 35 30.892 1.914 0.645 0.790 0.971 0.647 CB 1.343 35 residues pruned to eliminate duplicates Z: 27 28.045 2.007 0.632 0.802 0.923 0.692 CB 1.398 27 residues pruned to eliminate duplicates Z: 24 16.688 1.713 0.522 0.696 0.870 0.609 CA 1.284 24 residues pruned to eliminate duplicates Z: 31 28.744 1.991 0.598 0.845 0.900 0.633 CB 1.363 31 residues pruned to eliminate duplicates Z: 63 55.765 2.031 0.788 0.858 0.968 0.758 CA 1.483 63 residues pruned to eliminate duplicates Z: 30 20.765 1.917 0.433 0.704 0.897 0.586 CB 1.300 30 residues pruned to eliminate duplicates Z: 68 47.511 1.953 0.871 0.777 0.896 0.552 CB 1.389 68 residues pruned to eliminate duplicates Z: 74 52.924 1.976 0.711 0.806 0.986 0.795 CA 1.423 74 residues pruned to eliminate duplicates Z: 28 19.211 1.781 0.614 0.675 0.852 0.667 CB 1.285 28 residues pruned to eliminate duplicates Z: 16 14.998 1.721 0.691 0.841 0.933 0.667 CB 1.063 16 residues pruned to eliminate duplicates Z: 61 52.393 2.040 0.776 0.849 0.950 0.750 CB 1.457 61 residues pruned to eliminate duplicates Z: 12 11.277 1.481 0.709 0.734 1.000 0.636 CA 1.089 11 residues pruned to eliminate duplicates Z: 37 29.725 1.736 0.435 0.914 1.000 0.806 CA 1.407 38 residues pruned to eliminate duplicates Z: 36 28.618 1.740 0.535 0.902 1.000 0.829 CB 1.291 36 residues pruned to eliminate duplicates Z: 28 24.557 1.705 0.474 0.930 0.963 0.815 CB 1.366 28 residues pruned to eliminate duplicates Z: 59 41.667 1.941 0.565 0.868 0.983 0.810 CB 1.341 59 residues pruned to eliminate duplicates Z: 11 8.671 1.579 0.516 0.789 0.900 0.400 N 0.987 11 residues pruned to eliminate duplicates Z: 60 45.119 1.943 0.651 0.895 1.000 0.780 CB 1.313 60 residues pruned to eliminate duplicates Z: 12 12.649 1.590 0.782 0.827 0.909 0.182 N 1.116 12 residues pruned to eliminate duplicates Z: 59 43.700 1.955 0.573 0.896 0.983 0.776 CB 1.359 59 residues pruned to eliminate duplicates Z: 62 43.448 1.934 0.617 0.855 0.984 0.738 CB 1.336 62 residues pruned to eliminate duplicates Z: 20 22.426 1.664 0.662 0.839 0.947 0.579 CB 1.466 20 residues pruned to eliminate duplicates Z: 52 44.106 1.954 0.734 0.845 0.980 0.843 CB 1.382 52 residues pruned to eliminate duplicates Z: 53 35.516 1.931 0.475 0.838 0.962 0.731 CB 1.344 53 residues pruned to eliminate duplicates Z: 18 18.306 1.806 0.621 0.755 0.882 0.647 CB 1.370 18 residues pruned to eliminate duplicates Z: 36 28.159 1.769 0.601 0.840 0.943 0.543 CB 1.330 36 residues pruned to eliminate duplicates Z: 24 17.832 1.723 0.562 0.663 0.913 0.739 CB 1.301 24 residues pruned to eliminate duplicates Z: 49 38.399 2.004 0.541 0.855 0.979 0.729 CB 1.352 49 residues pruned to eliminate duplicates Z: 54 37.171 1.964 0.513 0.842 0.962 0.774 CB 1.330 54 residues pruned to eliminate duplicates Z: 54 39.446 1.967 0.570 0.828 0.962 0.792 CB 1.373 54 residues pruned to eliminate duplicates Z: 52 38.540 1.961 0.563 0.844 0.980 0.804 CB 1.336 52 residues pruned to eliminate duplicates Z: 44 31.070 1.945 0.392 0.815 0.953 0.791 CB 1.395 44 residues pruned to eliminate duplicates Z: 30 17.571 1.699 0.613 0.634 0.793 0.483 CB 1.324 30 residues pruned to eliminate duplicates Z: 49 40.360 2.027 0.507 0.880 0.979 0.771 CB 1.411 49 residues pruned to eliminate duplicates Z: 53 37.903 1.981 0.556 0.828 0.942 0.673 CB 1.363 53 residues pruned to eliminate duplicates Z: 46 26.890 1.877 0.483 0.719 0.844 0.622 CB 1.399 46 residues pruned to eliminate duplicates Z: 58 40.595 1.919 0.556 0.843 0.982 0.667 CB 1.365 58 residues pruned to eliminate duplicates Z: 25 22.407 1.778 0.715 0.809 0.917 0.750 CB 1.250 25 residues pruned to eliminate duplicates Z: 48 37.054 1.997 0.559 0.800 0.979 0.787 CB 1.364 48 residues pruned to eliminate duplicates Z: 59 37.104 1.898 0.594 0.809 0.948 0.793 CB 1.297 59 residues pruned to eliminate duplicates Z: 49 38.822 1.996 0.554 0.846 0.979 0.708 CB 1.370 49 residues pruned to eliminate duplicates Z: 42 29.442 1.951 0.502 0.747 0.927 0.732 CB 1.357 42 residues pruned to eliminate duplicates Z: 51 38.363 2.005 0.518 0.857 0.960 0.780 CB 1.369 51 residues pruned to eliminate duplicates Z: 47 38.841 2.026 0.490 0.870 1.000 0.739 CB 1.385 47 residues pruned to eliminate duplicates Z: 49 29.601 1.949 0.326 0.767 0.938 0.688 CB 1.391 49 residues pruned to eliminate duplicates Z: 51 39.752 2.009 0.521 0.869 0.980 0.820 CB 1.371 51 residues pruned to eliminate duplicates Z: 53 38.631 1.983 0.472 0.861 0.981 0.808 CB 1.375 53 residues pruned to eliminate duplicates Z: 58 31.700 1.895 0.532 0.762 0.912 0.684 CB 1.256 58 residues pruned to eliminate duplicates Z: 53 36.866 2.005 0.429 0.869 0.962 0.827 CB 1.356 53 residues pruned to eliminate duplicates Z: 48 29.850 1.946 0.466 0.775 0.915 0.574 CB 1.308 48 residues pruned to eliminate duplicates Z: 49 32.952 1.965 0.431 0.779 0.979 0.562 CB 1.351 49 residues pruned to eliminate duplicates Z: 46 35.119 1.951 0.650 0.819 0.933 0.533 CB 1.321 46 residues pruned to eliminate duplicates Z: 50 39.600 1.996 0.614 0.834 1.000 0.714 CB 1.316 50 residues pruned to eliminate duplicates Z: 52 38.741 1.993 0.528 0.854 0.980 0.804 CB 1.341 52 residues pruned to eliminate duplicates Z: 25 31.242 2.161 0.646 0.805 0.958 0.958 CB 1.434 25 residues pruned to eliminate duplicates Z: 51 40.748 2.023 0.582 0.862 0.980 0.740 CB 1.349 51 residues pruned to eliminate duplicates Z: 47 40.984 2.034 0.667 0.860 1.000 0.761 CB 1.311 47 residues pruned to eliminate duplicates Z: 47 35.869 1.973 0.612 0.776 0.978 0.587 CB 1.333 47 residues pruned to eliminate duplicates Z: 56 35.419 1.951 0.610 0.788 0.927 0.618 CB 1.273 56 residues pruned to eliminate duplicates Z: 51 37.705 2.008 0.585 0.845 0.960 0.700 CB 1.297 51 residues pruned to eliminate duplicates Z: 51 33.274 1.957 0.518 0.744 0.960 0.540 CB 1.325 51 residues pruned to eliminate duplicates Z: 46 38.830 2.010 0.661 0.853 1.000 0.600 CB 1.281 46 residues pruned to eliminate duplicates Z: 45 37.709 2.029 0.671 0.826 0.977 0.727 CB 1.293 45 residues pruned to eliminate duplicates Z: 52 34.737 1.969 0.590 0.752 0.941 0.706 CB 1.319 52 residues pruned to eliminate duplicates Z: 53 38.574 1.994 0.639 0.876 0.962 0.750 CB 1.237 53 residues pruned to eliminate duplicates Z: 52 41.531 2.019 0.685 0.866 0.980 0.725 CB 1.276 52 residues pruned to eliminate duplicates Z: 57 35.822 1.915 0.806 0.815 0.929 0.482 CB 1.134 57 residues pruned to eliminate duplicates Z: 60 40.390 1.927 0.721 0.852 0.966 0.729 CB 1.214 60 residues pruned to eliminate duplicates Z: 63 37.132 1.907 0.810 0.803 0.919 0.516 CB 1.140 63 residues pruned to eliminate duplicates Z: 60 45.033 1.907 0.819 0.892 1.000 0.644 CB 1.214 57 residues pruned to eliminate duplicates Z: 24 34.906 2.118 1.097 0.943 0.957 0.565 CB 1.187 24 residues pruned to eliminate duplicates Z: 35 30.091 2.019 0.796 0.831 0.971 0.441 CB 1.101 35 residues pruned to eliminate duplicates Z: 35 34.391 2.052 0.823 0.829 0.971 0.647 CB 1.222 35 residues pruned to eliminate duplicates Z: 13 6.428 1.691 0.228 0.521 0.667 0.500 CB 1.312 10 residues pruned to eliminate duplicates Z: 6 2.141 1.440 0.560 0.413 0.600 0.200 CB 0.778 5 residues pruned to eliminate duplicates Z: 32 33.056 2.003 0.592 0.835 0.968 0.710 CB 1.442 32 residues pruned to eliminate duplicates Z: 35 34.171 2.042 0.550 0.804 0.971 0.706 CB 1.463 39 residues pruned to eliminate duplicates Z: 31 41.187 1.998 0.705 0.917 1.000 0.933 CB 1.558 31 residues pruned to eliminate duplicates Z: 25 43.326 2.124 0.790 0.933 1.000 0.958 CB 1.623 25 residues pruned to eliminate duplicates Z: 56 44.039 1.976 0.731 0.726 0.945 0.691 CB 1.497 56 residues pruned to eliminate duplicates Z: 53 40.351 1.998 0.697 0.739 0.885 0.750 CB 1.506 53 residues pruned to eliminate duplicates Z: 59 41.810 1.957 0.619 0.745 0.914 0.707 CA 1.523 59 residues pruned to eliminate duplicates Z: 57 42.435 1.981 0.676 0.756 0.929 0.750 CB 1.465 57 residues pruned to eliminate duplicates Z: 55 45.327 2.005 0.699 0.772 0.944 0.704 CB 1.507 55 residues pruned to eliminate duplicates Z: 56 38.202 1.979 0.622 0.773 0.891 0.673 CB 1.415 56 residues pruned to eliminate duplicates Z: 50 47.634 2.054 0.678 0.810 0.980 0.796 CB 1.539 50 residues pruned to eliminate duplicates Z: 22 29.137 2.133 0.453 0.764 1.000 0.857 CB 1.622 22 residues pruned to eliminate duplicates Z: 34 39.806 2.092 0.747 0.813 0.970 0.788 CB 1.490 34 residues pruned to eliminate duplicates Z: 44 34.899 1.956 0.736 0.728 0.884 0.698 CB 1.444 44 residues pruned to eliminate duplicates Z: 59 44.214 1.980 0.754 0.742 0.914 0.690 CB 1.473 59 residues pruned to eliminate duplicates Z: 44 35.469 2.012 0.616 0.711 0.907 0.651 CB 1.515 44 residues pruned to eliminate duplicates Z: 50 48.266 2.015 0.865 0.789 0.918 0.735 CB 1.550 50 residues pruned to eliminate duplicates Z: 34 36.881 2.075 0.696 0.827 0.939 0.788 CB 1.464 34 residues pruned to eliminate duplicates Z: 31 38.092 2.072 0.663 0.868 0.967 0.733 CB 1.526 31 residues pruned to eliminate duplicates Z: 52 44.296 1.998 0.727 0.769 0.961 0.784 CA 1.474 52 residues pruned to eliminate duplicates Z: 34 37.532 2.083 0.704 0.810 0.970 0.879 CB 1.449 34 residues pruned to eliminate duplicates Z: 46 44.555 2.035 0.708 0.795 0.956 0.733 CB 1.545 46 residues pruned to eliminate duplicates Z: 54 47.508 2.024 0.697 0.806 0.962 0.792 CB 1.511 54 residues pruned to eliminate duplicates Z: 44 33.851 2.004 0.621 0.709 0.907 0.721 CB 1.450 44 residues pruned to eliminate duplicates Z: 43 40.788 1.994 0.774 0.724 0.952 0.738 CB 1.526 43 residues pruned to eliminate duplicates Z: 54 45.659 2.024 0.754 0.748 0.943 0.755 CB 1.501 54 residues pruned to eliminate duplicates Z: 55 44.177 2.001 0.655 0.770 1.000 0.722 CB 1.429 55 residues pruned to eliminate duplicates Z: 43 35.599 2.004 0.668 0.696 0.952 0.690 CB 1.443 43 residues pruned to eliminate duplicates Z: 42 33.960 1.989 0.707 0.667 0.951 0.634 CB 1.407 42 residues pruned to eliminate duplicates Z: 42 36.392 1.980 0.755 0.662 0.976 0.683 CB 1.442 42 residues pruned to eliminate duplicates Z: 26 28.526 1.855 0.735 0.866 0.960 0.720 CB 1.352 26 residues pruned to eliminate duplicates Z: 24 29.689 1.909 0.889 0.762 0.913 0.870 CA 1.490 24 residues pruned to eliminate duplicates Z: 41 29.950 1.973 0.658 0.678 0.875 0.700 CB 1.404 40 residues pruned to eliminate duplicates Z: 26 28.761 1.865 0.644 0.885 0.960 0.800 CB 1.412 26 residues pruned to eliminate duplicates Z: 57 44.086 1.978 0.813 0.759 0.964 0.625 CB 1.353 57 residues pruned to eliminate duplicates Z: 57 36.485 1.928 0.693 0.671 0.893 0.607 CB 1.429 57 residues pruned to eliminate duplicates Z: 46 25.286 1.874 0.656 0.564 0.889 0.644 CB 1.284 46 residues pruned to eliminate duplicates Z: 57 44.290 1.970 0.771 0.749 0.911 0.679 CB 1.492 57 residues pruned to eliminate duplicates Z: 25 27.247 1.896 0.679 0.729 0.958 0.625 CB 1.483 25 residues pruned to eliminate duplicates Z: 44 40.644 1.990 0.786 0.741 0.953 0.744 CB 1.475 44 residues pruned to eliminate duplicates Z: 52 39.582 1.931 0.707 0.751 0.922 0.686 CB 1.459 52 residues pruned to eliminate duplicates Z: 44 33.700 1.978 0.630 0.721 0.884 0.674 CB 1.477 44 residues pruned to eliminate duplicates Z: 54 47.971 2.012 0.776 0.803 0.962 0.792 CB 1.471 54 residues pruned to eliminate duplicates Z: 15 17.615 1.805 0.878 0.684 0.929 0.500 CB 1.264 15 residues pruned to eliminate duplicates Z: 44 35.727 2.005 0.601 0.699 0.953 0.674 CB 1.485 44 residues pruned to eliminate duplicates Z: 54 47.623 2.002 0.826 0.812 0.943 0.717 CB 1.446 54 residues pruned to eliminate duplicates Z: 12 16.816 1.853 0.820 0.826 0.909 0.545 CB 1.247 12 residues pruned to eliminate duplicates Z: 58 46.314 2.001 0.826 0.783 0.930 0.702 CB 1.407 58 residues pruned to eliminate duplicates Z: 12 7.126 1.709 0.793 0.727 0.909 0.545 CB 0.629 12 residues pruned to eliminate duplicates Z: 10 6.827 1.724 0.594 0.743 1.000 0.667 CB 0.666 10 residues pruned to eliminate duplicates Z: 8 8.739 1.767 0.565 0.898 1.000 0.857 CB 0.854 Z: 14 13.893 1.678 0.776 0.891 0.923 0.615 CB 1.007 22 residues pruned to eliminate duplicates Z: 9 6.659 1.621 0.652 0.783 0.875 0.875 CB 0.783 Z: 21 27.482 1.792 0.863 0.930 1.000 0.650 CB 1.287 30 residues pruned to eliminate duplicates Z: 12 10.185 1.712 0.749 0.907 0.909 0.818 CB 0.802 12 residues pruned to eliminate duplicates Z: 19 15.448 1.881 0.424 0.645 0.833 0.611 CA 1.425 19 residues pruned to eliminate duplicates Z: 14 16.067 1.995 0.632 0.639 0.846 0.692 CB 1.420 14 residues pruned to eliminate duplicates Z: 15 16.055 2.017 0.541 0.608 0.857 0.714 CB 1.453 15 residues pruned to eliminate duplicates Z: 50 45.666 2.048 0.761 0.745 0.939 0.673 CB 1.547 50 residues pruned to eliminate duplicates Z: 23 21.038 1.994 0.520 0.647 0.909 0.636 CB 1.419 23 residues pruned to eliminate duplicates Z: 15 23.283 1.979 0.868 0.788 0.929 0.643 CB 1.407 15 residues pruned to eliminate duplicates Z: 24 32.971 2.102 0.675 0.801 0.957 0.783 CB 1.568 24 residues pruned to eliminate duplicates Z: 36 24.838 1.903 0.688 0.664 0.857 0.629 CB 1.310 36 residues pruned to eliminate duplicates Z: 33 27.655 1.927 0.807 0.648 0.906 0.625 CB 1.349 33 residues pruned to eliminate duplicates Z: 26 29.441 2.034 0.644 0.776 0.960 0.720 CB 1.437 26 residues pruned to eliminate duplicates Z: 24 35.446 2.098 0.856 0.837 0.913 0.739 CB 1.556 24 residues pruned to eliminate duplicates Z: 26 36.175 2.062 0.872 0.768 0.960 0.640 CB 1.539 26 residues pruned to eliminate duplicates Z: 32 25.209 1.971 0.811 0.654 0.839 0.613 CB 1.310 32 residues pruned to eliminate duplicates Z: 26 32.589 2.034 0.901 0.807 0.960 0.720 CB 1.343 26 residues pruned to eliminate duplicates Z: 30 28.595 1.960 0.892 0.704 0.897 0.690 CB 1.327 30 residues pruned to eliminate duplicates Z: 26 33.035 2.023 0.967 0.754 0.960 0.520 CB 1.379 26 residues pruned to eliminate duplicates Z: 31 27.987 1.984 0.853 0.700 0.900 0.667 CB 1.287 31 residues pruned to eliminate duplicates Z: 25 35.621 2.113 0.961 0.788 0.917 0.583 CB 1.487 25 residues pruned to eliminate duplicates Z: 31 29.201 1.951 0.890 0.676 0.933 0.533 CB 1.318 31 residues pruned to eliminate duplicates Z: 27 32.574 2.048 0.902 0.742 0.962 0.538 CB 1.373 27 residues pruned to eliminate duplicates Z: 28 29.782 1.972 0.923 0.757 0.963 0.667 CB 1.248 28 residues pruned to eliminate duplicates Z: 50 48.680 2.010 0.879 0.786 0.939 0.755 CB 1.526 35 residues pruned to eliminate duplicates Z: 23 39.692 2.077 1.119 0.831 1.000 0.545 CB 1.445 23 residues pruned to eliminate duplicates Z: 50 45.517 2.033 0.844 0.789 0.898 0.612 CB 1.499 50 residues pruned to eliminate duplicates Z: 22 22.882 1.936 0.595 0.809 0.857 0.714 CB 1.441 22 residues pruned to eliminate duplicates Z: 41 30.659 1.991 0.523 0.700 0.875 0.675 CB 1.523 30 residues pruned to eliminate duplicates Z: 26 29.794 2.035 0.535 0.889 0.960 0.880 CA 1.431 26 residues pruned to eliminate duplicates Z: 24 28.327 2.066 0.543 0.856 0.957 0.826 CA 1.428 24 residues pruned to eliminate duplicates Z: 26 32.649 2.027 0.749 0.830 0.960 0.720 CA 1.443 26 residues pruned to eliminate duplicates Z: 46 40.618 2.039 0.703 0.775 0.933 0.822 CA 1.466 46 residues pruned to eliminate duplicates Z: 29 35.021 2.038 0.785 0.740 0.929 0.679 CA 1.580 29 residues pruned to eliminate duplicates Z: 24 36.676 2.080 0.726 0.947 0.957 0.870 CA 1.539 24 residues pruned to eliminate duplicates Z: 25 44.478 2.057 0.907 0.893 1.000 0.792 CA 1.662 25 residues pruned to eliminate duplicates Z: 19 38.778 2.186 0.800 0.892 1.000 0.722 CA 1.669 19 residues pruned to eliminate duplicates Z: 49 46.622 2.059 0.732 0.815 0.938 0.729 CB 1.531 49 residues pruned to eliminate duplicates Z: 47 48.678 2.076 0.762 0.819 0.935 0.870 CB 1.591 47 residues pruned to eliminate duplicates Z: 48 45.585 2.071 0.708 0.817 0.915 0.809 CA 1.559 37 residues pruned to eliminate duplicates Z: 25 33.130 2.024 0.841 0.907 0.875 0.583 CB 1.474 25 residues pruned to eliminate duplicates Z: 37 37.914 2.040 0.718 0.812 0.917 0.806 CA 1.499 37 residues pruned to eliminate duplicates Z: 29 31.337 1.974 0.782 0.733 0.929 0.643 CB 1.470 29 residues pruned to eliminate duplicates Z: 40 37.167 2.014 0.797 0.752 0.846 0.718 CA 1.552 40 residues pruned to eliminate duplicates Z: 33 25.395 1.919 0.643 0.696 0.844 0.594 CB 1.411 33 residues pruned to eliminate duplicates Z: 28 32.869 1.984 0.824 0.785 0.889 0.667 CA 1.530 28 residues pruned to eliminate duplicates Z: 31 30.093 1.976 0.842 0.712 0.900 0.567 CB 1.384 31 residues pruned to eliminate duplicates Z: 29 31.227 1.995 0.793 0.741 0.929 0.571 CB 1.432 29 residues pruned to eliminate duplicates Z: 24 41.969 2.101 0.900 0.903 0.957 0.739 CA 1.634 24 residues pruned to eliminate duplicates Z: 36 37.689 2.059 0.652 0.807 0.943 0.829 CA 1.519 36 residues pruned to eliminate duplicates Z: 39 40.659 1.998 0.889 0.809 0.921 0.684 CB 1.449 39 residues pruned to eliminate duplicates Z: 27 44.311 2.074 0.893 0.891 1.000 0.769 CB 1.591 27 residues pruned to eliminate duplicates Z: 25 18.179 1.744 0.313 0.901 0.958 0.958 CA 1.207 25 residues pruned to eliminate duplicates Z: 35 22.392 1.739 0.536 0.775 0.941 0.824 CB 1.198 35 residues pruned to eliminate duplicates Z: 37 22.348 1.708 0.501 0.753 0.917 0.722 CA 1.265 37 residues pruned to eliminate duplicates Z: 23 18.621 1.806 0.378 0.915 0.909 0.864 CA 1.240 23 residues pruned to eliminate duplicates Z: 32 24.334 1.812 0.506 0.796 1.000 0.774 CB 1.236 32 residues pruned to eliminate duplicates Z: 34 27.438 1.817 0.671 0.808 1.000 0.788 CA 1.203 34 residues pruned to eliminate duplicates Z: 31 25.038 1.813 0.655 0.790 0.933 0.667 CB 1.266 31 residues pruned to eliminate duplicates Z: 24 25.327 1.827 0.705 0.880 0.957 0.870 CA 1.285 24 residues pruned to eliminate duplicates Z: 25 20.961 1.789 0.639 0.814 0.875 0.750 CA 1.270 25 residues pruned to eliminate duplicates Z: 16 16.707 1.682 0.924 0.916 0.933 0.800 CB 1.009 16 residues pruned to eliminate duplicates Z: 36 26.156 1.755 0.879 0.708 0.829 0.629 CB 1.339 39 residues pruned to eliminate duplicates Z: 18 18.559 1.726 0.814 0.902 0.941 0.647 CB 1.090 18 residues pruned to eliminate duplicates Z: 23 24.244 1.726 0.810 0.885 0.955 0.773 CB 1.251 23 residues pruned to eliminate duplicates Z: 39 29.548 1.802 0.706 0.775 0.974 0.711 CB 1.256 39 residues pruned to eliminate duplicates Z: 31 28.605 1.763 0.846 0.822 0.933 0.467 CB 1.300 31 residues pruned to eliminate duplicates Z: 32 23.181 1.769 0.741 0.748 0.903 0.581 CB 1.199 32 residues pruned to eliminate duplicates Z: 33 27.917 1.801 0.772 0.816 0.969 0.656 CB 1.213 33 residues pruned to eliminate duplicates Z: 25 22.665 1.739 0.533 0.940 1.000 0.792 CB 1.205 25 residues pruned to eliminate duplicates Z: 36 26.221 1.760 0.823 0.749 0.914 0.514 CB 1.210 36 residues pruned to eliminate duplicates Z: 26 22.504 1.699 0.741 0.914 1.000 0.600 CB 1.076 26 residues pruned to eliminate duplicates Z: 37 29.229 1.777 0.912 0.776 0.944 0.667 CB 1.190 37 residues pruned to eliminate duplicates Z: 35 26.641 1.797 0.916 0.763 0.882 0.588 CB 1.190 35 residues pruned to eliminate duplicates Z: 35 28.369 1.811 0.982 0.784 0.853 0.529 CB 1.237 35 residues pruned to eliminate duplicates Z: 41 28.486 1.775 0.797 0.746 0.875 0.625 CB 1.295 41 residues pruned to eliminate duplicates Z: 34 30.073 1.824 0.831 0.802 0.909 0.697 CA 1.325 34 residues pruned to eliminate duplicates Z: 36 31.153 1.822 0.834 0.798 0.971 0.771 CA 1.249 36 residues pruned to eliminate duplicates Z: 36 27.862 1.789 0.847 0.765 0.943 0.657 CB 1.195 36 residues pruned to eliminate duplicates Z: 39 31.182 1.794 0.847 0.796 0.947 0.684 CA 1.244 39 residues pruned to eliminate duplicates Z: 28 22.111 1.764 0.749 0.701 0.889 0.593 CB 1.292 28 residues pruned to eliminate duplicates Z: 45 30.639 1.725 0.650 0.822 0.886 0.705 CB 1.385 42 residues pruned to eliminate duplicates Z: 19 23.186 1.827 0.537 0.897 1.000 0.667 CA 1.393 19 residues pruned to eliminate duplicates Z: 17 24.387 1.783 0.923 0.743 1.000 0.500 CA 1.431 17 residues pruned to eliminate duplicates Z: 13 12.633 1.772 0.919 0.635 0.833 0.583 CB 1.134 13 residues pruned to eliminate duplicates Z: 18 30.196 1.901 0.835 0.855 1.000 0.706 CA 1.550 18 residues pruned to eliminate duplicates Z: 27 27.114 1.810 0.897 0.717 1.000 0.577 CA 1.272 27 residues pruned to eliminate duplicates Z: 26 22.333 1.774 0.927 0.652 0.920 0.440 CA 1.233 26 residues pruned to eliminate duplicates Z: 17 17.193 1.739 0.796 0.737 0.875 0.438 N 1.271 17 residues pruned to eliminate duplicates Z: 42 32.547 1.795 0.832 0.838 0.927 0.732 CB 1.247 42 residues pruned to eliminate duplicates Z: 19 21.054 1.761 0.641 0.833 0.944 0.556 CB 1.364 19 residues pruned to eliminate duplicates Z: 18 15.059 1.631 0.708 0.692 0.824 0.412 CB 1.336 18 residues pruned to eliminate duplicates Z: 15 14.186 1.713 0.790 0.660 0.857 0.500 CB 1.244 15 residues pruned to eliminate duplicates Z: 31 31.389 1.774 0.768 0.832 1.000 0.700 CB 1.372 31 residues pruned to eliminate duplicates Z: 29 29.274 1.747 0.765 0.914 1.000 0.607 CB 1.269 29 residues pruned to eliminate duplicates Z: 53 37.430 1.786 0.842 0.840 0.962 0.692 CB 1.225 53 residues pruned to eliminate duplicates Z: 25 26.599 1.771 0.769 0.869 1.000 0.500 CB 1.266 25 residues pruned to eliminate duplicates Z: 14 16.721 1.737 0.780 0.749 0.923 0.692 CB 1.301 14 residues pruned to eliminate duplicates Z: 14 12.518 1.735 0.481 0.778 0.923 0.615 CB 1.145 14 residues pruned to eliminate duplicates Z: 18 13.167 1.583 0.534 0.715 0.882 0.471 CB 1.226 18 residues pruned to eliminate duplicates Z: 12 15.329 1.813 0.495 0.855 1.000 0.636 CB 1.259 12 residues pruned to eliminate duplicates Z: 16 14.595 1.696 0.625 0.768 0.933 0.533 CB 1.155 16 residues pruned to eliminate duplicates Z: 15 13.743 1.734 0.616 0.778 1.000 0.786 CB 1.026 15 residues pruned to eliminate duplicates Z: 24 27.857 1.754 0.840 0.900 1.000 0.565 CB 1.285 24 residues pruned to eliminate duplicates Z: 10 9.142 1.667 0.507 0.671 0.889 0.667 CB 1.166 10 residues pruned to eliminate duplicates Z: 31 17.255 1.658 0.716 0.654 0.833 0.467 CB 1.151 31 residues pruned to eliminate duplicates Z: 20 13.363 1.626 0.271 0.684 0.895 0.789 CB 1.401 20 residues pruned to eliminate duplicates Z: 23 17.880 1.600 0.330 0.823 0.955 0.636 CA 1.419 23 residues pruned to eliminate duplicates Z: 10 8.564 1.795 0.188 0.471 0.889 0.556 CB 1.552 10 residues pruned to eliminate duplicates Z: 14 11.281 1.663 0.242 0.615 1.000 0.538 CA 1.359 15 residues pruned to eliminate duplicates Z: 22 16.870 1.554 0.379 0.861 0.952 0.667 CB 1.325 22 residues pruned to eliminate duplicates Z: 17 13.144 1.649 0.192 0.740 0.938 0.562 CB 1.439 17 residues pruned to eliminate duplicates Z: 19 13.286 1.625 0.274 0.691 0.944 0.778 N 1.344 19 residues pruned to eliminate duplicates Z: 21 15.974 1.589 0.499 0.638 1.000 0.650 CB 1.317 21 residues pruned to eliminate duplicates Z: 12 9.848 1.555 0.510 0.753 0.909 0.818 CB 1.110 12 residues pruned to eliminate duplicates Z: 24 15.597 1.582 0.430 0.766 0.913 0.696 CB 1.244 24 residues pruned to eliminate duplicates Z: 10 11.266 1.535 0.622 0.825 1.000 0.889 CB 1.138 10 residues pruned to eliminate duplicates Z: 13 8.474 1.490 0.361 0.682 0.917 0.750 CB 1.114 13 residues pruned to eliminate duplicates Z: 12 12.761 1.507 0.569 0.887 1.000 0.909 CB 1.172 12 residues pruned to eliminate duplicates Z: 8 6.004 1.468 0.686 0.575 0.857 0.714 CB 0.995 8 residues pruned to eliminate duplicates Z: 15 15.003 1.630 0.613 0.829 0.929 0.643 CB 1.236 15 residues pruned to eliminate duplicates Z: 19 12.723 1.640 0.477 0.721 0.778 0.611 CB 1.304 19 residues pruned to eliminate duplicates Z: 21 11.558 1.577 0.592 0.657 0.800 0.450 CB 1.113 21 residues pruned to eliminate duplicates Z: 16 12.393 1.568 0.594 0.779 0.867 0.600 CB 1.156 16 residues pruned to eliminate duplicates Z: 17 9.420 1.644 0.476 0.439 0.812 0.312 CB 1.272 17 residues pruned to eliminate duplicates Z: 13 8.744 1.607 0.365 0.518 0.917 0.333 CB 1.233 13 residues pruned to eliminate duplicates Z: 14 7.747 1.623 0.308 0.479 0.846 0.308 CB 1.221 14 residues pruned to eliminate duplicates Z: 15 5.368 1.493 0.433 0.469 0.643 0.286 CB 1.076 15 residues pruned to eliminate duplicates Z: 10 12.086 1.656 0.520 0.748 0.889 0.556 C 1.443 10 residues pruned to eliminate duplicates Z: 12 8.369 1.588 0.384 0.536 0.818 0.364 CB 1.355 12 residues pruned to eliminate duplicates Z: 13 6.270 1.463 0.342 0.619 0.667 0.333 N 1.235 13 residues pruned to eliminate duplicates Z: 22 19.914 1.827 0.490 0.781 0.952 0.714 CA 1.309 22 residues pruned to eliminate duplicates Z: 23 21.676 1.822 0.613 0.760 0.864 0.682 CA 1.445 23 residues pruned to eliminate duplicates Z: 22 21.446 1.831 0.507 0.726 1.000 0.714 CB 1.383 22 residues pruned to eliminate duplicates Z: 28 25.384 1.777 0.644 0.789 0.963 0.852 CA 1.347 28 residues pruned to eliminate duplicates Z: 26 23.755 1.738 0.735 0.750 0.880 0.720 CB 1.433 26 residues pruned to eliminate duplicates Z: 23 23.560 1.774 0.638 0.809 1.000 0.773 CA 1.320 23 residues pruned to eliminate duplicates Z: 23 23.159 1.839 0.625 0.729 0.955 0.818 CA 1.409 23 residues pruned to eliminate duplicates Z: 23 20.572 1.837 0.495 0.709 0.955 0.682 CA 1.384 23 residues pruned to eliminate duplicates Z: 23 22.006 1.846 0.544 0.712 0.955 0.773 CA 1.423 23 residues pruned to eliminate duplicates Z: 22 23.951 1.862 0.698 0.758 1.000 0.810 CA 1.314 22 residues pruned to eliminate duplicates Z: 22 24.040 1.855 0.611 0.736 1.000 0.857 CA 1.420 22 residues pruned to eliminate duplicates Z: 17 23.042 1.867 0.635 0.862 1.000 0.875 CA 1.385 17 residues pruned to eliminate duplicates Z: 26 22.676 1.776 0.688 0.701 0.920 0.800 CA 1.370 26 residues pruned to eliminate duplicates Z: 23 22.430 1.811 0.649 0.744 0.909 0.773 CA 1.416 23 residues pruned to eliminate duplicates Z: 24 22.070 1.798 0.633 0.722 0.957 0.478 CB 1.341 24 residues pruned to eliminate duplicates Z: 22 23.200 1.814 0.728 0.737 0.952 0.667 CB 1.371 22 residues pruned to eliminate duplicates Z: 24 24.819 1.818 0.753 0.699 0.957 0.565 CB 1.415 24 residues pruned to eliminate duplicates Z: 27 32.424 1.871 0.760 0.850 1.000 0.808 CB 1.431 27 residues pruned to eliminate duplicates Z: 28 31.856 1.833 0.849 0.813 0.963 0.778 CB 1.430 28 residues pruned to eliminate duplicates Z: 27 33.333 1.819 0.812 0.848 1.000 0.692 CB 1.471 27 residues pruned to eliminate duplicates Z: 26 33.325 1.860 0.932 0.816 1.000 0.840 CA 1.410 26 residues pruned to eliminate duplicates Z: 26 34.288 1.852 0.973 0.839 1.000 0.760 CB 1.403 26 residues pruned to eliminate duplicates Z: 30 35.660 1.812 0.934 0.864 1.000 0.862 CB 1.385 30 residues pruned to eliminate duplicates Z: 29 37.272 1.824 0.921 0.891 1.000 0.750 CA 1.444 29 residues pruned to eliminate duplicates Z: 30 36.776 1.806 1.015 0.892 1.000 0.724 CB 1.348 30 residues pruned to eliminate duplicates Z: 29 34.854 1.765 0.986 0.938 1.000 0.714 CB 1.306 29 residues pruned to eliminate duplicates Z: 30 33.276 1.788 1.082 0.910 0.966 0.793 CB 1.219 30 residues pruned to eliminate duplicates Z: 31 32.292 1.795 1.002 0.841 0.933 0.700 CB 1.310 31 residues pruned to eliminate duplicates 524 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 15 D: 29 E: 6 F: 128 G: 70 H: 12 I: 43 J: 48 K: 55 L: 29 M: 74 CC for partial structure against native data = 46.60 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.461, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.537, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.644, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.656, Connect. = 0.790 for dens.mod. cycle 4 = 0.300, Contrast = 0.665, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.668, Connect. = 0.792 for dens.mod. cycle 6 = 0.300, Contrast = 0.671, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.672, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.672, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.672, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2685 peaks > 0.5 sigma used to seed fragment search Space for about 843 unique residues taking solvent into account 577 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 37 46.334 2.008 0.859 0.928 1.000 0.806 CA 1.449 B: 37 46.800 2.000 0.949 0.890 0.972 0.694 CB 1.480 37 residues pruned to eliminate duplicates C: 33 25.965 1.927 0.385 0.928 1.000 0.844 CB 1.204 D: 31 52.679 2.128 1.044 0.948 1.000 0.867 CA 1.527 E: 24 34.088 2.021 0.770 0.914 0.957 0.522 CB 1.470 F: 26 22.375 2.033 0.264 0.922 0.960 0.840 CB 1.275 26 residues pruned to eliminate duplicates G: 29 54.810 2.151 1.241 0.955 0.964 0.821 CB 1.531 30 residues pruned to eliminate duplicates H: 17 29.969 1.958 0.991 0.853 0.938 0.812 CA 1.515 I: 18 33.094 1.966 1.199 0.922 1.000 0.588 CB 1.306 J: 23 34.709 2.090 0.607 0.941 1.000 0.864 CB 1.528 23 residues pruned to eliminate duplicates K: 17 32.027 2.085 0.886 0.921 0.938 0.688 CB 1.528 L: 25 20.712 1.885 0.396 0.950 1.000 0.917 CB 1.108 25 residues pruned to eliminate duplicates M: 15 27.871 2.019 0.886 0.868 1.000 0.786 CB 1.430 15 residues pruned to eliminate duplicates N: 24 31.110 2.031 0.646 0.878 0.957 0.696 CB 1.473 24 residues pruned to eliminate duplicates O: 31 40.613 2.016 0.722 0.946 1.000 0.933 CB 1.478 P: 37 42.989 1.994 0.815 0.915 0.972 0.722 CB 1.438 37 residues pruned to eliminate duplicates Q: 8 5.657 1.903 0.046 0.682 0.857 0.571 CB 1.061 R: 24 30.661 2.130 0.606 0.953 1.000 0.913 CB 1.286 24 residues pruned to eliminate duplicates S: 25 33.962 2.001 0.704 0.924 0.917 0.667 CB 1.557 T: 31 48.358 2.066 1.103 0.934 1.000 0.700 CB 1.417 31 residues pruned to eliminate duplicates U: 28 33.369 1.925 0.705 0.878 0.963 0.778 CB 1.474 25 residues pruned to eliminate duplicates V: 24 35.249 2.024 0.685 0.933 0.957 0.826 CB 1.572 28 residues pruned to eliminate duplicates W: 30 39.214 2.053 0.865 0.936 0.966 0.862 CB 1.373 30 residues pruned to eliminate duplicates X: 33 27.555 1.990 0.316 0.937 1.000 0.938 CB 1.294 33 residues pruned to eliminate duplicates Y: 30 29.929 1.889 0.727 0.879 0.897 0.621 CA 1.377 28 residues pruned to eliminate duplicates Z: 31 35.851 1.974 0.676 0.898 0.967 0.900 CB 1.464 31 residues pruned to eliminate duplicates Z: 19 22.831 1.866 0.593 0.887 0.944 0.778 CB 1.382 18 residues pruned to eliminate duplicates Z: 25 35.013 1.995 0.703 0.925 1.000 0.708 CB 1.475 24 residues pruned to eliminate duplicates Z: 30 36.145 2.058 0.670 0.939 0.931 0.759 CB 1.457 30 residues pruned to eliminate duplicates Z: 36 31.337 1.937 0.664 0.879 0.886 0.714 CB 1.345 36 residues pruned to eliminate duplicates Z: 43 36.829 1.997 0.656 0.731 0.905 0.690 CB 1.544 19 residues pruned to eliminate duplicates Z: 17 26.247 2.095 0.837 0.930 0.938 0.750 CB 1.272 16 residues pruned to eliminate duplicates Z: 30 49.681 2.131 1.059 0.940 1.000 0.862 CA 1.460 30 residues pruned to eliminate duplicates Z: 38 41.445 1.957 0.746 0.909 1.000 0.649 CA 1.415 38 residues pruned to eliminate duplicates Z: 25 30.027 2.109 0.616 0.939 0.958 0.667 CB 1.305 24 residues pruned to eliminate duplicates Z: 18 35.099 1.974 1.216 0.954 1.000 0.824 CB 1.339 18 residues pruned to eliminate duplicates Z: 37 42.309 2.003 0.719 0.923 1.000 0.861 CA 1.440 37 residues pruned to eliminate duplicates Z: 23 25.671 2.143 0.338 0.925 1.000 0.864 CB 1.340 23 residues pruned to eliminate duplicates Z: 37 45.188 1.961 1.062 0.945 0.972 0.500 CB 1.326 37 residues pruned to eliminate duplicates Z: 28 28.289 1.915 0.652 0.937 1.000 0.704 CB 1.198 28 residues pruned to eliminate duplicates Z: 30 41.322 2.130 0.667 0.965 1.000 0.966 CA 1.475 30 residues pruned to eliminate duplicates Z: 18 26.723 2.090 0.617 0.917 0.941 0.706 CB 1.438 18 residues pruned to eliminate duplicates Z: 31 41.234 1.995 0.776 0.909 1.000 0.733 CB 1.509 31 residues pruned to eliminate duplicates Z: 34 27.619 1.946 0.428 0.939 1.000 0.939 CB 1.202 33 residues pruned to eliminate duplicates Z: 25 27.505 1.808 0.737 0.851 1.000 0.667 CB 1.324 Z: 26 32.216 1.752 0.918 0.942 1.000 0.840 CB 1.330 Z: 31 49.302 2.109 1.027 0.941 1.000 0.867 CA 1.461 31 residues pruned to eliminate duplicates Z: 23 29.201 2.114 0.337 0.945 0.955 0.818 CA 1.597 23 residues pruned to eliminate duplicates Z: 36 42.358 1.990 0.853 0.904 0.943 0.743 CB 1.467 36 residues pruned to eliminate duplicates Z: 25 32.059 2.040 0.494 0.924 1.000 0.833 CB 1.507 26 residues pruned to eliminate duplicates Z: 26 32.126 2.022 0.777 0.935 1.000 0.760 CB 1.246 26 residues pruned to eliminate duplicates Z: 24 30.778 2.019 0.698 0.928 1.000 0.696 CB 1.311 24 residues pruned to eliminate duplicates Z: 18 22.509 1.932 0.528 0.937 1.000 0.765 CA 1.288 18 residues pruned to eliminate duplicates Z: 30 43.867 2.116 0.906 0.933 0.966 0.759 CA 1.459 30 residues pruned to eliminate duplicates Z: 18 26.797 1.947 0.963 0.933 1.000 0.529 CB 1.187 18 residues pruned to eliminate duplicates Z: 31 33.196 1.995 0.415 0.912 1.000 0.900 CB 1.520 31 residues pruned to eliminate duplicates Z: 18 28.816 1.972 0.835 0.923 1.000 0.706 CB 1.357 18 residues pruned to eliminate duplicates Z: 25 35.225 1.999 0.701 0.949 0.958 0.667 CA 1.523 24 residues pruned to eliminate duplicates Z: 9 11.306 2.045 0.640 0.882 0.875 0.500 CB 0.985 9 residues pruned to eliminate duplicates Z: 34 23.271 1.773 0.467 0.867 0.909 0.667 CB 1.253 25 residues pruned to eliminate duplicates Z: 12 20.428 2.011 0.574 0.928 0.909 0.727 CA 1.499 12 residues pruned to eliminate duplicates Z: 32 38.569 1.984 0.701 0.949 1.000 0.903 CB 1.417 32 residues pruned to eliminate duplicates Z: 31 51.238 2.096 1.124 0.955 1.000 0.700 CB 1.444 31 residues pruned to eliminate duplicates Z: 29 29.470 1.882 0.678 0.929 1.000 0.929 CA 1.234 17 residues pruned to eliminate duplicates Z: 29 40.055 1.932 0.912 0.939 1.000 0.643 CB 1.425 24 residues pruned to eliminate duplicates Z: 22 26.478 2.093 0.489 0.926 0.905 0.857 CA 1.438 22 residues pruned to eliminate duplicates Z: 22 34.673 2.120 0.818 0.920 0.905 0.762 CB 1.528 22 residues pruned to eliminate duplicates Z: 26 28.504 2.051 0.725 0.942 1.000 0.640 CB 1.117 27 residues pruned to eliminate duplicates Z: 14 20.208 1.853 0.886 0.892 1.000 0.692 CB 1.152 14 residues pruned to eliminate duplicates Z: 14 18.215 1.843 0.914 0.872 0.846 0.462 CB 1.234 14 residues pruned to eliminate duplicates Z: 31 41.959 2.077 0.819 0.929 1.000 0.767 CA 1.419 31 residues pruned to eliminate duplicates Z: 26 29.209 2.068 0.395 0.928 1.000 0.800 CA 1.418 27 residues pruned to eliminate duplicates Z: 31 44.552 2.111 0.799 0.964 1.000 0.900 CA 1.463 31 residues pruned to eliminate duplicates Z: 15 19.973 1.760 0.953 0.915 1.000 0.714 CB 1.098 15 residues pruned to eliminate duplicates Z: 30 34.085 2.063 0.448 0.920 1.000 0.897 CB 1.492 30 residues pruned to eliminate duplicates Z: 26 25.496 2.035 0.341 0.937 1.000 0.920 CB 1.300 26 residues pruned to eliminate duplicates Z: 31 32.391 1.989 0.710 0.904 0.900 0.667 CB 1.377 31 residues pruned to eliminate duplicates Z: 18 26.767 1.994 0.704 0.870 0.941 0.529 CB 1.481 18 residues pruned to eliminate duplicates Z: 11 16.557 1.835 0.613 0.885 1.000 0.900 CA 1.277 Z: 24 23.736 2.031 0.230 0.912 1.000 0.826 CA 1.402 24 residues pruned to eliminate duplicates Z: 36 42.835 2.003 0.756 0.901 0.971 0.743 CB 1.513 36 residues pruned to eliminate duplicates Z: 28 54.419 2.167 1.190 0.946 1.000 0.704 CA 1.527 28 residues pruned to eliminate duplicates Z: 31 37.068 1.993 0.569 0.931 1.000 0.867 CB 1.512 31 residues pruned to eliminate duplicates Z: 34 25.605 1.964 0.332 0.933 0.970 0.818 CB 1.226 33 residues pruned to eliminate duplicates Z: 15 16.054 2.101 0.120 0.917 1.000 0.929 CA 1.286 15 residues pruned to eliminate duplicates Z: 25 30.135 2.081 0.661 0.948 1.000 0.583 CB 1.229 25 residues pruned to eliminate duplicates Z: 28 25.750 1.895 0.452 0.904 1.000 0.889 CA 1.284 28 residues pruned to eliminate duplicates Z: 24 24.108 1.791 0.703 0.906 0.957 0.870 CA 1.225 20 residues pruned to eliminate duplicates Z: 39 41.999 1.954 0.883 0.912 0.947 0.789 CB 1.384 39 residues pruned to eliminate duplicates Z: 29 34.466 1.942 0.601 0.926 1.000 0.893 CA 1.469 30 residues pruned to eliminate duplicates Z: 12 14.688 1.736 0.423 0.893 1.000 0.727 CB 1.287 Z: 31 48.406 2.087 1.037 0.925 1.000 0.833 CA 1.459 31 residues pruned to eliminate duplicates Z: 24 36.757 2.053 0.771 0.915 0.957 0.739 CA 1.558 24 residues pruned to eliminate duplicates Z: 25 32.041 1.928 0.700 0.904 1.000 0.917 CB 1.421 24 residues pruned to eliminate duplicates Z: 23 26.576 1.982 0.606 0.892 0.909 0.864 CB 1.406 23 residues pruned to eliminate duplicates Z: 28 29.013 2.073 0.473 0.945 0.963 0.778 CB 1.314 28 residues pruned to eliminate duplicates Z: 16 13.983 1.633 0.290 0.906 1.000 0.733 CB 1.219 12 residues pruned to eliminate duplicates Z: 25 35.449 1.995 0.756 0.932 0.958 0.875 CB 1.506 25 residues pruned to eliminate duplicates Z: 36 47.580 1.996 0.901 0.939 1.000 0.771 CB 1.473 36 residues pruned to eliminate duplicates Z: 27 32.411 2.054 0.710 0.946 1.000 0.808 CB 1.251 27 residues pruned to eliminate duplicates Z: 31 35.176 2.038 0.638 0.897 0.967 0.833 CB 1.425 31 residues pruned to eliminate duplicates Z: 27 24.953 1.719 0.880 0.829 0.923 0.731 CB 1.234 11 residues pruned to eliminate duplicates Z: 32 37.435 2.035 0.745 0.949 0.968 0.935 CA 1.349 32 residues pruned to eliminate duplicates Z: 13 13.985 2.209 -0.115 0.953 1.000 1.000 CA 1.421 13 residues pruned to eliminate duplicates Z: 31 37.635 2.027 0.673 0.919 0.967 0.767 CB 1.478 31 residues pruned to eliminate duplicates Z: 29 34.091 2.028 0.697 0.906 1.000 0.750 CB 1.331 28 residues pruned to eliminate duplicates Z: 36 36.584 1.954 0.772 0.857 0.886 0.571 CA 1.486 36 residues pruned to eliminate duplicates Z: 25 28.094 1.915 0.864 0.682 0.958 0.792 CA 1.419 29 residues pruned to eliminate duplicates Z: 30 31.084 2.114 0.342 0.959 1.000 0.966 CA 1.395 30 residues pruned to eliminate duplicates Z: 31 44.581 2.098 0.857 0.944 1.000 0.933 CB 1.447 31 residues pruned to eliminate duplicates Z: 25 21.071 1.892 0.655 0.937 1.000 0.792 CB 0.956 25 residues pruned to eliminate duplicates Z: 23 27.942 1.911 0.736 0.936 1.000 0.864 CB 1.250 23 residues pruned to eliminate duplicates Z: 21 24.690 1.750 0.641 0.939 1.000 0.900 CA 1.336 21 residues pruned to eliminate duplicates Z: 28 22.114 2.041 0.103 0.924 1.000 0.926 CB 1.326 28 residues pruned to eliminate duplicates Z: 54 45.951 2.014 0.667 0.806 0.943 0.811 CB 1.526 54 residues pruned to eliminate duplicates Z: 22 23.852 1.986 0.550 0.757 0.952 0.619 CB 1.413 22 residues pruned to eliminate duplicates Z: 24 30.768 2.025 0.652 0.896 0.957 0.652 CB 1.437 24 residues pruned to eliminate duplicates Z: 25 21.889 1.717 0.823 0.869 0.917 0.708 CB 1.138 Z: 27 26.869 1.870 0.626 0.861 0.962 0.885 CA 1.324 27 residues pruned to eliminate duplicates Z: 31 51.319 2.053 1.101 0.950 1.000 0.733 CA 1.498 31 residues pruned to eliminate duplicates Z: 23 27.776 1.744 0.985 0.945 0.955 0.727 CB 1.241 23 residues pruned to eliminate duplicates Z: 30 39.704 2.059 0.665 0.950 1.000 0.862 CB 1.483 30 residues pruned to eliminate duplicates Z: 26 25.140 1.974 0.323 0.922 0.960 0.920 CA 1.410 26 residues pruned to eliminate duplicates Z: 26 23.208 1.715 0.739 0.909 0.960 0.720 CB 1.150 Z: 36 44.542 1.979 0.863 0.912 0.971 0.571 CA 1.489 36 residues pruned to eliminate duplicates Z: 26 27.894 1.751 0.777 0.898 1.000 0.600 CB 1.283 26 residues pruned to eliminate duplicates Z: 28 21.984 1.663 0.456 0.920 1.000 0.889 CA 1.231 27 residues pruned to eliminate duplicates Z: 31 44.283 2.012 0.900 0.940 1.000 0.733 CB 1.469 31 residues pruned to eliminate duplicates Z: 22 27.529 1.884 0.800 0.879 1.000 0.714 CB 1.285 22 residues pruned to eliminate duplicates Z: 20 31.886 2.106 0.671 0.934 0.947 0.789 CA 1.530 20 residues pruned to eliminate duplicates Z: 27 28.069 1.925 0.382 0.947 1.000 0.846 CA 1.431 27 residues pruned to eliminate duplicates Z: 31 33.423 2.080 0.500 0.963 1.000 1.000 CA 1.337 31 residues pruned to eliminate duplicates Z: 30 29.654 2.036 0.648 0.958 1.000 0.759 CB 1.126 30 residues pruned to eliminate duplicates Z: 33 38.465 1.995 0.962 0.957 1.000 0.500 CB 1.192 34 residues pruned to eliminate duplicates Z: 26 36.476 1.985 0.722 0.908 1.000 0.720 CA 1.515 26 residues pruned to eliminate duplicates Z: 27 26.533 1.970 0.813 0.676 0.885 0.654 CA 1.400 28 residues pruned to eliminate duplicates Z: 44 31.638 1.896 0.612 0.664 0.907 0.674 CB 1.495 44 residues pruned to eliminate duplicates Z: 31 45.690 2.075 0.963 0.947 0.967 0.767 CA 1.463 31 residues pruned to eliminate duplicates Z: 28 32.847 1.931 0.872 0.881 1.000 0.778 CA 1.267 28 residues pruned to eliminate duplicates Z: 25 27.732 1.776 0.773 0.925 1.000 0.750 CB 1.261 25 residues pruned to eliminate duplicates Z: 36 32.287 1.776 0.606 0.902 1.000 0.771 CB 1.365 34 residues pruned to eliminate duplicates Z: 23 23.146 1.824 0.725 0.847 0.864 0.636 CB 1.348 23 residues pruned to eliminate duplicates Z: 31 21.332 1.998 0.061 0.953 1.000 0.967 CB 1.265 31 residues pruned to eliminate duplicates Z: 25 25.463 1.742 0.846 0.868 1.000 0.833 CA 1.182 25 residues pruned to eliminate duplicates Z: 7 2.378 1.582 -0.092 0.269 1.000 0.667 N 0.879 7 residues pruned to eliminate duplicates Z: 14 29.811 2.042 0.800 0.854 1.000 0.692 CB 1.661 14 residues pruned to eliminate duplicates Z: 28 23.998 1.803 0.584 0.876 1.000 0.815 CB 1.175 28 residues pruned to eliminate duplicates Z: 19 22.852 1.749 0.810 0.910 1.000 0.778 CB 1.207 19 residues pruned to eliminate duplicates Z: 30 32.876 1.884 0.706 0.899 1.000 0.793 CA 1.358 30 residues pruned to eliminate duplicates Z: 27 29.633 1.726 0.956 0.940 1.000 0.654 CB 1.195 27 residues pruned to eliminate duplicates Z: 34 34.214 1.963 0.752 0.949 1.000 0.515 CB 1.195 34 residues pruned to eliminate duplicates Z: 6 10.971 1.746 0.890 0.869 0.800 0.800 O 1.357 6 residues pruned to eliminate duplicates Z: 37 36.343 2.010 0.508 0.926 1.000 0.944 CA 1.401 37 residues pruned to eliminate duplicates Z: 6 11.030 1.937 0.574 0.791 1.000 0.800 CA 1.254 6 residues pruned to eliminate duplicates Z: 30 48.466 2.079 1.133 0.926 1.000 0.724 CB 1.424 30 residues pruned to eliminate duplicates Z: 38 42.199 1.975 0.706 0.895 1.000 0.892 CA 1.476 38 residues pruned to eliminate duplicates Z: 24 19.547 1.624 0.515 0.870 0.957 0.870 CB 1.264 Z: 30 38.885 2.026 0.721 0.932 1.000 0.759 CB 1.447 30 residues pruned to eliminate duplicates Z: 31 35.426 2.000 0.610 0.908 0.967 0.900 CB 1.476 31 residues pruned to eliminate duplicates Z: 18 31.249 1.958 1.084 0.936 0.941 0.647 CB 1.374 18 residues pruned to eliminate duplicates Z: 12 13.012 1.827 0.252 0.879 0.909 0.818 CB 1.369 12 residues pruned to eliminate duplicates Z: 22 20.396 1.730 0.337 0.901 1.000 0.905 CB 1.373 24 residues pruned to eliminate duplicates Z: 23 23.839 1.782 0.541 0.927 1.000 0.955 CA 1.297 22 residues pruned to eliminate duplicates Z: 36 46.733 1.981 0.937 0.910 1.000 0.800 CB 1.460 36 residues pruned to eliminate duplicates Z: 22 19.991 1.947 0.507 0.929 1.000 0.762 CB 1.040 22 residues pruned to eliminate duplicates Z: 22 23.742 1.859 0.607 0.866 1.000 0.857 CA 1.270 22 residues pruned to eliminate duplicates Z: 11 13.322 1.900 0.511 0.878 0.800 0.700 N 1.331 11 residues pruned to eliminate duplicates Z: 18 22.241 1.742 0.929 0.860 1.000 0.882 CB 1.181 18 residues pruned to eliminate duplicates Z: 31 36.950 1.978 0.816 0.926 1.000 0.700 CB 1.317 31 residues pruned to eliminate duplicates Z: 37 38.132 1.999 0.681 0.902 1.000 0.861 CA 1.349 37 residues pruned to eliminate duplicates Z: 17 22.355 1.902 0.567 0.898 1.000 0.812 CB 1.340 17 residues pruned to eliminate duplicates Z: 13 17.337 1.760 0.814 0.891 1.000 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 27 26.328 1.772 0.619 0.916 0.962 0.731 CA 1.321 27 residues pruned to eliminate duplicates Z: 23 37.018 2.089 0.738 0.942 0.955 0.864 CA 1.580 23 residues pruned to eliminate duplicates Z: 28 24.137 1.707 0.507 0.916 0.889 0.630 CB 1.434 28 residues pruned to eliminate duplicates Z: 31 38.295 2.006 0.723 0.930 1.000 0.833 CB 1.415 31 residues pruned to eliminate duplicates Z: 23 27.113 2.041 0.632 0.792 0.955 0.773 CA 1.406 23 residues pruned to eliminate duplicates Z: 26 25.868 1.697 0.800 0.900 1.000 0.800 CB 1.210 27 residues pruned to eliminate duplicates Z: 21 23.093 1.824 0.862 0.937 1.000 0.700 CB 1.058 23 residues pruned to eliminate duplicates Z: 19 21.366 1.802 0.394 0.935 1.000 1.000 CA 1.398 19 residues pruned to eliminate duplicates Z: 17 14.470 1.790 0.413 0.902 1.000 0.875 CB 1.021 17 residues pruned to eliminate duplicates Z: 30 36.889 2.036 0.732 0.944 1.000 0.862 CB 1.345 30 residues pruned to eliminate duplicates Z: 31 35.120 1.982 0.524 0.944 1.000 0.833 CB 1.470 31 residues pruned to eliminate duplicates Z: 12 14.067 1.712 0.515 0.891 0.909 0.727 CB 1.293 12 residues pruned to eliminate duplicates Z: 21 20.885 2.107 0.165 0.939 1.000 0.950 CB 1.322 21 residues pruned to eliminate duplicates Z: 23 36.090 2.073 0.758 0.930 1.000 0.727 CB 1.476 23 residues pruned to eliminate duplicates Z: 37 40.254 1.996 0.689 0.904 1.000 0.861 CA 1.417 37 residues pruned to eliminate duplicates Z: 38 42.077 1.964 0.770 0.925 0.973 0.865 CB 1.435 38 residues pruned to eliminate duplicates Z: 19 24.225 1.841 0.655 0.872 1.000 0.611 CA 1.366 16 residues pruned to eliminate duplicates Z: 19 19.155 1.743 0.597 0.886 1.000 0.833 CB 1.171 19 residues pruned to eliminate duplicates Z: 59 37.738 1.883 0.617 0.858 0.966 0.741 CB 1.241 62 residues pruned to eliminate duplicates Z: 31 23.112 1.994 0.163 0.945 1.000 0.900 CB 1.260 31 residues pruned to eliminate duplicates Z: 22 17.500 1.759 0.502 0.886 0.905 0.810 CB 1.152 22 residues pruned to eliminate duplicates Z: 24 26.934 1.977 0.368 0.895 0.957 0.957 CA 1.557 24 residues pruned to eliminate duplicates Z: 15 17.629 1.631 0.531 0.921 0.929 0.929 CA 1.430 15 residues pruned to eliminate duplicates Z: 32 24.100 1.969 0.528 0.627 0.935 0.742 CB 1.364 32 residues pruned to eliminate duplicates Z: 28 27.655 1.813 0.655 0.906 0.963 0.741 CB 1.310 28 residues pruned to eliminate duplicates Z: 20 26.649 2.006 0.739 0.895 1.000 0.789 CA 1.257 20 residues pruned to eliminate duplicates Z: 6 6.004 1.468 0.133 0.795 1.000 1.000 CB 1.247 Z: 19 26.234 1.834 0.748 0.939 1.000 0.833 CB 1.341 19 residues pruned to eliminate duplicates Z: 29 44.233 2.152 0.830 0.950 1.000 0.929 CA 1.464 30 residues pruned to eliminate duplicates Z: 19 13.798 1.712 0.295 0.885 0.944 0.833 CB 1.122 18 residues pruned to eliminate duplicates Z: 12 13.652 1.718 0.393 0.865 0.909 0.818 N 1.386 12 residues pruned to eliminate duplicates Z: 17 17.352 1.860 0.495 0.914 1.000 0.875 CB 1.104 19 residues pruned to eliminate duplicates Z: 23 17.798 1.686 0.396 0.886 0.909 0.636 CB 1.280 23 residues pruned to eliminate duplicates Z: 18 24.688 1.931 0.634 0.921 1.000 0.706 CA 1.335 18 residues pruned to eliminate duplicates Z: 36 39.882 1.990 0.745 0.917 0.971 0.886 CA 1.409 36 residues pruned to eliminate duplicates Z: 38 35.462 1.907 0.563 0.861 0.973 0.757 CB 1.477 38 residues pruned to eliminate duplicates Z: 18 18.633 1.728 0.587 0.912 1.000 0.882 CA 1.167 18 residues pruned to eliminate duplicates Z: 28 36.691 1.952 0.855 0.915 1.000 0.889 CA 1.378 28 residues pruned to eliminate duplicates Z: 26 32.412 1.916 0.652 0.886 1.000 0.760 CB 1.478 26 residues pruned to eliminate duplicates Z: 25 22.691 1.764 0.616 0.893 0.917 0.792 CA 1.272 25 residues pruned to eliminate duplicates Z: 29 28.363 1.803 0.682 0.890 1.000 0.821 CB 1.272 29 residues pruned to eliminate duplicates Z: 23 21.599 1.845 0.569 0.854 0.955 0.864 CB 1.230 20 residues pruned to eliminate duplicates Z: 7 4.718 1.621 0.136 0.461 0.833 0.667 CB 1.306 Z: 31 24.744 1.991 0.297 0.941 1.000 0.967 CB 1.214 31 residues pruned to eliminate duplicates Z: 26 21.014 1.717 0.561 0.882 1.000 0.840 CA 1.135 25 residues pruned to eliminate duplicates Z: 37 48.453 1.976 0.956 0.938 0.972 0.833 CB 1.494 37 residues pruned to eliminate duplicates Z: 13 20.473 1.803 0.939 0.795 1.000 0.583 CA 1.306 13 residues pruned to eliminate duplicates Z: 31 48.646 2.078 0.936 0.940 1.000 0.767 CB 1.534 31 residues pruned to eliminate duplicates Z: 30 25.191 1.804 0.618 0.822 1.000 0.793 CB 1.213 30 residues pruned to eliminate duplicates Z: 16 10.107 1.521 0.226 0.845 0.933 0.733 CB 1.116 16 residues pruned to eliminate duplicates Z: 22 18.269 1.692 0.327 0.887 1.000 0.857 CB 1.280 22 residues pruned to eliminate duplicates Z: 31 39.616 1.989 0.865 0.936 0.967 0.900 CB 1.406 31 residues pruned to eliminate duplicates Z: 24 22.911 1.762 0.669 0.920 0.957 0.783 CA 1.196 24 residues pruned to eliminate duplicates Z: 9 2.702 1.475 0.055 0.292 0.750 0.250 CB 1.034 Z: 35 30.563 1.776 0.672 0.904 0.971 0.588 CB 1.296 34 residues pruned to eliminate duplicates Z: 30 34.977 2.098 0.606 0.919 1.000 0.931 CA 1.359 29 residues pruned to eliminate duplicates Z: 15 11.497 1.834 0.737 0.607 0.786 0.786 CA 1.109 15 residues pruned to eliminate duplicates Z: 10 5.789 1.576 0.256 0.474 0.889 0.444 CB 1.126 Z: 13 17.428 1.834 0.806 0.893 1.000 0.833 CB 1.090 13 residues pruned to eliminate duplicates Z: 12 14.620 1.732 0.471 0.872 1.000 0.727 CB 1.261 12 residues pruned to eliminate duplicates Z: 20 16.212 1.827 1.090 0.941 1.000 0.421 CB 0.676 20 residues pruned to eliminate duplicates Z: 29 34.632 1.898 0.911 0.902 1.000 0.679 CB 1.287 29 residues pruned to eliminate duplicates Z: 13 18.254 1.591 0.786 0.909 1.000 0.500 CB 1.316 Z: 13 25.341 2.059 0.763 0.820 1.000 0.750 CB 1.528 13 residues pruned to eliminate duplicates Z: 18 17.508 1.868 0.294 0.870 0.941 0.882 CA 1.362 18 residues pruned to eliminate duplicates Z: 20 16.038 1.720 0.337 0.821 1.000 0.737 CB 1.212 20 residues pruned to eliminate duplicates Z: 36 44.009 1.996 0.827 0.953 1.000 0.714 CB 1.404 36 residues pruned to eliminate duplicates Z: 22 24.348 1.835 0.680 0.904 1.000 0.905 CA 1.227 22 residues pruned to eliminate duplicates Z: 12 11.838 1.542 0.578 0.815 1.000 0.727 CB 1.116 Z: 30 37.752 2.032 0.802 0.924 1.000 0.586 CB 1.345 30 residues pruned to eliminate duplicates 7 1.750 1.354 0.217 0.457 0.500 0.500 N 0.906 ? Z: 23 19.697 1.760 0.500 0.921 1.000 0.955 CA 1.120 23 residues pruned to eliminate duplicates Z: 24 26.775 1.728 0.779 0.919 1.000 0.826 CB 1.280 24 residues pruned to eliminate duplicates Z: 26 14.729 1.686 0.393 0.899 0.960 0.840 CB 0.933 29 residues pruned to eliminate duplicates Z: 19 28.115 1.908 0.707 0.898 0.944 0.556 CB 1.542 19 residues pruned to eliminate duplicates Z: 37 44.972 2.003 0.880 0.924 0.972 0.722 CB 1.438 37 residues pruned to eliminate duplicates Z: 41 33.531 1.935 0.728 0.747 0.900 0.750 CB 1.413 41 residues pruned to eliminate duplicates Z: 24 17.379 1.629 0.353 0.881 0.957 0.870 CB 1.245 24 residues pruned to eliminate duplicates Z: 19 20.933 1.903 0.558 0.794 0.944 0.722 CB 1.361 19 residues pruned to eliminate duplicates Z: 16 29.019 1.960 0.792 0.898 1.000 0.800 CB 1.525 16 residues pruned to eliminate duplicates Z: 23 17.500 1.886 0.588 0.534 0.818 0.636 CA 1.472 30 residues pruned to eliminate duplicates Z: 30 43.834 2.130 0.813 0.958 1.000 0.862 CA 1.446 29 residues pruned to eliminate duplicates Z: 31 24.680 1.742 0.498 0.841 0.967 0.833 CB 1.332 31 residues pruned to eliminate duplicates Z: 24 29.866 2.049 0.694 0.730 0.957 0.652 CB 1.524 24 residues pruned to eliminate duplicates Z: 9 21.217 1.810 0.923 0.886 1.000 0.750 CB 1.555 9 residues pruned to eliminate duplicates Z: 36 29.261 1.776 0.392 0.905 1.000 0.857 CB 1.424 36 residues pruned to eliminate duplicates Z: 20 14.281 1.991 0.040 0.827 0.895 0.842 CB 1.332 20 residues pruned to eliminate duplicates Z: 17 16.599 1.542 0.588 0.882 0.938 0.750 CB 1.308 Z: 19 19.575 1.860 0.595 0.871 0.944 0.833 CB 1.201 19 residues pruned to eliminate duplicates Z: 10 3.966 1.663 0.758 0.115 0.778 0.222 CA 0.945 Z: 37 30.074 1.730 0.604 0.889 0.972 0.694 CB 1.338 37 residues pruned to eliminate duplicates Z: 36 28.070 1.755 0.358 0.891 1.000 0.800 CB 1.431 36 residues pruned to eliminate duplicates Z: 24 26.096 1.721 0.791 0.935 1.000 0.826 CB 1.230 23 residues pruned to eliminate duplicates Z: 11 11.883 1.589 0.395 0.821 1.000 0.800 CB 1.283 11 residues pruned to eliminate duplicates Z: 30 43.215 2.114 0.790 0.950 1.000 0.966 CA 1.463 30 residues pruned to eliminate duplicates Z: 22 27.084 1.778 0.871 0.938 0.952 0.762 CB 1.297 22 residues pruned to eliminate duplicates Z: 12 12.601 1.409 0.794 0.881 1.000 0.818 CB 1.089 12 residues pruned to eliminate duplicates Z: 30 33.758 2.100 0.583 0.943 1.000 0.862 CA 1.308 31 residues pruned to eliminate duplicates Z: 22 26.669 1.845 0.924 0.916 0.952 0.714 CB 1.216 22 residues pruned to eliminate duplicates Z: 24 24.780 1.785 0.713 0.846 0.957 0.652 CA 1.313 24 residues pruned to eliminate duplicates Z: 34 23.959 1.739 0.753 0.930 1.000 0.636 CB 0.957 34 residues pruned to eliminate duplicates Z: 23 15.894 1.655 0.374 0.823 0.909 0.773 CB 1.238 23 residues pruned to eliminate duplicates Z: 30 17.731 1.531 0.478 0.883 1.000 0.690 CB 1.052 22 residues pruned to eliminate duplicates Z: 29 27.889 1.737 0.505 0.940 1.000 0.821 CB 1.401 29 residues pruned to eliminate duplicates Z: 28 29.456 1.935 0.548 0.898 0.963 0.778 CA 1.406 28 residues pruned to eliminate duplicates Z: 28 39.144 1.973 0.995 0.920 1.000 0.704 CB 1.348 28 residues pruned to eliminate duplicates Z: 21 16.290 1.795 0.423 0.906 1.000 0.900 CB 1.014 21 residues pruned to eliminate duplicates Z: 20 23.767 1.851 0.824 0.873 0.895 0.579 CA 1.314 20 residues pruned to eliminate duplicates Z: 23 19.364 1.643 0.436 0.870 1.000 0.727 CB 1.277 23 residues pruned to eliminate duplicates Z: 26 18.089 1.825 0.605 0.583 0.840 0.560 CA 1.358 26 residues pruned to eliminate duplicates Z: 24 15.929 1.570 0.401 0.813 0.913 0.522 CB 1.260 24 residues pruned to eliminate duplicates Z: 23 20.639 1.682 0.501 0.902 1.000 0.909 CB 1.242 23 residues pruned to eliminate duplicates Z: 23 22.622 1.729 0.697 0.887 1.000 0.773 CB 1.186 23 residues pruned to eliminate duplicates Z: 35 31.178 1.978 0.488 0.908 0.971 0.824 CA 1.330 35 residues pruned to eliminate duplicates Z: 11 13.365 1.929 0.311 0.935 1.000 1.000 CB 1.165 11 residues pruned to eliminate duplicates Z: 17 15.576 1.543 0.648 0.882 0.938 0.750 CB 1.182 16 residues pruned to eliminate duplicates Z: 15 18.669 1.903 0.566 0.910 1.000 0.786 CA 1.187 15 residues pruned to eliminate duplicates Z: 21 22.991 1.701 0.687 0.888 0.950 0.800 CB 1.358 20 residues pruned to eliminate duplicates Z: 34 22.090 1.684 0.808 0.860 0.848 0.576 CB 1.094 30 residues pruned to eliminate duplicates Z: 18 26.221 1.956 0.949 0.910 0.941 0.588 CB 1.257 18 residues pruned to eliminate duplicates Z: 18 15.448 1.836 0.618 0.908 0.941 0.882 CB 0.952 18 residues pruned to eliminate duplicates Z: 9 6.880 1.768 0.269 0.556 0.875 0.500 CB 1.173 Z: 25 33.491 2.002 0.804 0.930 0.958 0.792 CB 1.381 25 residues pruned to eliminate duplicates Z: 27 28.064 1.837 0.623 0.920 0.962 0.885 CA 1.353 27 residues pruned to eliminate duplicates Z: 7 6.425 1.671 0.227 0.530 1.000 0.667 CB 1.242 7 residues pruned to eliminate duplicates Z: 25 23.348 1.749 0.744 0.909 0.875 0.708 CB 1.268 25 residues pruned to eliminate duplicates Z: 22 22.289 1.663 0.778 0.839 0.952 0.667 CB 1.290 22 residues pruned to eliminate duplicates Z: 9 13.132 1.701 0.668 0.818 1.000 0.375 CB 1.242 9 residues pruned to eliminate duplicates Z: 9 10.629 1.755 1.200 0.851 0.875 0.500 CB 0.823 9 residues pruned to eliminate duplicates Z: 26 32.034 1.751 0.930 0.890 1.000 0.680 CB 1.365 26 residues pruned to eliminate duplicates Z: 35 42.114 2.029 0.698 0.927 1.000 0.824 CA 1.469 35 residues pruned to eliminate duplicates Z: 25 20.411 1.763 0.531 0.908 0.958 0.708 CA 1.145 25 residues pruned to eliminate duplicates Z: 34 31.902 2.003 0.643 0.952 0.970 0.848 CB 1.199 34 residues pruned to eliminate duplicates Z: 36 25.517 1.755 0.353 0.897 0.943 0.886 CB 1.379 36 residues pruned to eliminate duplicates Z: 36 28.781 1.757 0.359 0.905 1.000 0.914 CA 1.450 37 residues pruned to eliminate duplicates Z: 38 44.705 1.949 0.925 0.930 0.973 0.676 CB 1.408 38 residues pruned to eliminate duplicates Z: 26 18.396 1.711 0.343 0.811 0.960 0.760 CB 1.273 23 residues pruned to eliminate duplicates Z: 9 15.182 1.983 0.859 0.740 1.000 0.500 CB 1.174 9 residues pruned to eliminate duplicates Z: 19 11.716 1.718 0.064 0.904 1.000 0.722 CB 1.076 19 residues pruned to eliminate duplicates Z: 20 23.370 2.028 0.578 0.742 0.947 0.842 CA 1.423 18 residues pruned to eliminate duplicates Z: 9 14.999 1.744 0.961 0.871 1.000 0.750 CB 1.131 9 residues pruned to eliminate duplicates Z: 8 11.096 1.845 0.620 0.895 0.857 0.714 CB 1.174 8 residues pruned to eliminate duplicates Z: 34 40.652 1.906 0.838 0.927 1.000 0.758 CB 1.415 34 residues pruned to eliminate duplicates Z: 28 34.873 1.932 0.854 0.893 0.963 0.778 CB 1.397 28 residues pruned to eliminate duplicates Z: 8 9.877 1.752 0.545 0.845 0.857 0.714 N 1.196 8 residues pruned to eliminate duplicates Z: 35 30.818 1.770 0.607 0.891 1.000 0.618 CB 1.335 35 residues pruned to eliminate duplicates Z: 6 3.281 1.290 0.683 0.390 0.800 0.400 N 0.949 Z: 8 9.792 1.739 0.600 0.793 0.857 0.714 CA 1.200 8 residues pruned to eliminate duplicates Z: 24 23.488 1.577 0.770 0.879 0.913 0.696 CB 1.394 18 residues pruned to eliminate duplicates Z: 6 2.003 1.236 0.493 0.323 0.600 0.400 CA 0.983 Z: 7 5.881 1.548 0.260 0.835 0.833 0.667 N 1.106 7 residues pruned to eliminate duplicates Z: 8 10.511 1.435 0.676 0.916 1.000 1.000 CA 1.166 Z: 25 18.076 1.581 0.341 0.864 0.958 0.708 O 1.331 25 residues pruned to eliminate duplicates Z: 15 17.180 1.629 0.898 0.890 0.857 0.643 CB 1.246 15 residues pruned to eliminate duplicates Z: 20 25.889 1.893 0.857 0.850 1.000 0.684 CA 1.251 20 residues pruned to eliminate duplicates Z: 19 13.483 1.451 0.456 0.844 0.889 0.778 O 1.259 19 residues pruned to eliminate duplicates Z: 13 11.352 1.815 0.140 0.874 1.000 0.917 CA 1.153 13 residues pruned to eliminate duplicates Z: 25 17.549 1.538 0.500 0.853 0.917 0.708 CB 1.252 23 residues pruned to eliminate duplicates Z: 26 20.539 1.716 0.601 0.880 0.960 0.720 CB 1.129 26 residues pruned to eliminate duplicates Z: 25 20.800 1.505 0.897 0.923 0.917 0.667 CB 1.140 24 residues pruned to eliminate duplicates Z: 11 11.124 1.699 0.232 0.885 1.000 0.900 CA 1.213 11 residues pruned to eliminate duplicates Z: 37 28.540 1.763 0.627 0.879 0.944 0.722 CB 1.273 37 residues pruned to eliminate duplicates Z: 22 27.556 1.858 0.791 0.897 0.952 0.476 CB 1.358 22 residues pruned to eliminate duplicates Z: 7 3.917 1.510 0.225 0.591 0.667 0.500 O 1.189 Z: 28 35.162 1.960 0.826 0.920 0.963 0.667 CB 1.382 28 residues pruned to eliminate duplicates Z: 23 16.734 1.720 0.639 0.917 0.909 0.682 CB 0.982 23 residues pruned to eliminate duplicates Z: 32 35.166 2.006 0.760 0.927 1.000 0.935 CA 1.254 32 residues pruned to eliminate duplicates Z: 8 3.731 1.545 0.584 0.210 0.714 0.429 CB 1.136 Z: 32 35.296 1.971 0.660 0.891 1.000 0.774 CB 1.393 32 residues pruned to eliminate duplicates Z: 30 31.059 2.047 0.441 0.903 0.966 0.793 CB 1.443 30 residues pruned to eliminate duplicates Z: 8 6.331 1.480 0.720 0.543 0.857 0.429 CB 1.051 Z: 12 12.348 1.808 0.523 0.880 0.909 0.818 CA 1.078 12 residues pruned to eliminate duplicates Z: 23 28.173 2.053 0.350 0.930 1.000 0.955 CA 1.515 23 residues pruned to eliminate duplicates Z: 30 39.399 1.960 0.931 0.914 0.966 0.897 CB 1.415 30 residues pruned to eliminate duplicates Z: 7 4.088 1.463 0.188 0.607 1.000 0.500 CB 0.868 Z: 37 31.750 1.762 0.457 0.899 1.000 0.889 CA 1.473 37 residues pruned to eliminate duplicates Z: 12 8.778 1.451 0.792 0.797 0.636 0.364 N 1.233 12 residues pruned to eliminate duplicates Z: 7 6.676 1.421 0.269 0.852 1.000 0.833 CA 1.117 7 residues pruned to eliminate duplicates Z: 53 38.447 1.940 0.727 0.822 0.942 0.635 CB 1.278 53 residues pruned to eliminate duplicates Z: 22 21.194 1.794 0.653 0.811 0.905 0.667 CB 1.315 22 residues pruned to eliminate duplicates Z: 7 2.549 1.357 0.609 0.307 1.000 0.500 N 0.590 Z: 10 6.595 1.743 0.380 0.368 0.889 0.444 CA 1.184 Z: 37 30.796 1.784 0.551 0.889 0.972 0.806 CB 1.374 37 residues pruned to eliminate duplicates 6 1.841 1.433 0.698 0.870 1.000 0.600 CB 0.247 ? Z: 31 19.593 1.647 0.898 0.873 0.833 0.400 CB 1.000 31 residues pruned to eliminate duplicates Z: 26 21.481 1.739 0.639 0.885 0.960 0.680 CB 1.134 26 residues pruned to eliminate duplicates Z: 27 34.118 1.955 0.769 0.928 0.923 0.769 CA 1.468 27 residues pruned to eliminate duplicates Z: 30 38.293 2.058 0.590 0.934 1.000 0.759 CB 1.516 30 residues pruned to eliminate duplicates Z: 14 14.715 1.831 0.341 0.922 0.923 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 22 16.085 1.525 0.448 0.883 0.952 0.762 O 1.207 22 residues pruned to eliminate duplicates Z: 9 3.675 1.471 0.305 0.558 0.875 0.375 CB 0.731 Z: 15 23.371 1.992 0.747 0.804 0.929 0.714 CB 1.482 15 residues pruned to eliminate duplicates 9 1.638 1.353 0.297 0.186 0.625 0.375 CB 0.770 ? Z: 14 10.975 1.426 0.583 0.705 0.923 0.462 CB 1.213 14 residues pruned to eliminate duplicates Z: 37 48.377 1.996 0.968 0.910 1.000 0.833 CA 1.456 37 residues pruned to eliminate duplicates Z: 6 3.733 1.420 0.249 0.635 1.000 0.800 C 0.830 Z: 27 17.335 1.605 0.527 0.887 0.923 0.846 CB 1.084 27 residues pruned to eliminate duplicates Z: 35 39.595 1.976 0.764 0.874 0.971 0.676 CB 1.460 35 residues pruned to eliminate duplicates Z: 32 38.657 1.892 0.929 0.925 1.000 0.645 CB 1.334 32 residues pruned to eliminate duplicates Z: 8 6.680 1.579 0.268 0.551 0.857 0.286 O 1.400 7 residues pruned to eliminate duplicates Z: 20 22.047 1.800 0.601 0.892 1.000 0.842 CA 1.261 20 residues pruned to eliminate duplicates Z: 11 6.430 1.658 0.445 0.503 0.900 0.600 CB 0.940 11 residues pruned to eliminate duplicates Z: 26 30.924 1.953 0.664 0.915 0.960 0.760 CA 1.400 26 residues pruned to eliminate duplicates Z: 27 23.485 1.711 0.523 0.907 1.000 0.885 CA 1.257 27 residues pruned to eliminate duplicates Z: 27 14.511 1.776 0.445 0.622 0.846 0.577 CA 1.168 26 residues pruned to eliminate duplicates Z: 12 12.926 1.565 0.468 0.838 1.000 0.636 CB 1.268 12 residues pruned to eliminate duplicates Z: 13 10.762 1.600 0.649 0.796 0.833 0.500 N 1.091 13 residues pruned to eliminate duplicates Z: 7 4.252 1.491 0.513 0.587 0.833 0.500 CB 0.850 Z: 34 29.479 1.913 0.496 0.898 0.939 0.879 CA 1.366 34 residues pruned to eliminate duplicates Z: 17 24.468 1.808 0.892 0.902 1.000 0.938 CB 1.275 17 residues pruned to eliminate duplicates Z: 31 40.029 2.110 0.614 0.950 1.000 0.900 CA 1.480 31 residues pruned to eliminate duplicates Z: 8 6.163 1.484 0.194 0.490 1.000 0.571 CB 1.327 8 residues pruned to eliminate duplicates Z: 22 20.450 1.701 0.358 0.901 1.000 0.857 CB 1.379 25 residues pruned to eliminate duplicates Z: 15 16.145 1.747 0.606 0.815 0.929 0.714 CB 1.259 15 residues pruned to eliminate duplicates Z: 13 14.139 1.403 0.765 0.884 1.000 0.917 CA 1.191 8 residues pruned to eliminate duplicates Z: 10 11.966 2.084 0.578 0.589 0.889 0.778 CB 1.253 10 residues pruned to eliminate duplicates Z: 11 12.081 1.421 0.733 0.877 1.000 0.900 CB 1.127 9 residues pruned to eliminate duplicates Z: 30 40.908 1.873 0.996 0.910 1.000 0.552 CB 1.441 30 residues pruned to eliminate duplicates Z: 7 2.432 1.399 0.752 0.395 0.500 0.333 CB 0.905 Z: 7 4.964 1.852 0.392 0.416 1.000 0.667 CB 0.858 7 residues pruned to eliminate duplicates Z: 9 8.086 1.943 0.246 0.804 0.875 0.500 CB 1.035 9 residues pruned to eliminate duplicates Z: 7 2.627 1.143 1.170 0.402 0.667 0.333 CB 0.719 Using tripeptides from previous cycle as seeds Z: 6 4.761 1.506 0.429 0.589 1.000 0.400 O 0.908 6 residues pruned to eliminate duplicates Z: 37 26.391 1.723 0.840 0.934 0.972 0.639 CB 0.995 37 residues pruned to eliminate duplicates Z: 11 11.219 1.807 0.355 0.800 0.800 0.800 N 1.393 11 residues pruned to eliminate duplicates Z: 12 14.386 1.755 0.466 0.899 1.000 0.636 CB 1.205 12 residues pruned to eliminate duplicates Z: 13 15.012 1.697 0.557 0.893 1.000 0.750 CB 1.177 13 residues pruned to eliminate duplicates Z: 13 12.386 1.768 0.526 0.803 0.750 0.667 CB 1.356 13 residues pruned to eliminate duplicates Z: 12 10.944 1.714 0.491 0.808 0.818 0.545 CB 1.206 12 residues pruned to eliminate duplicates Z: 11 16.844 1.839 0.485 0.893 1.000 0.700 CB 1.400 11 residues pruned to eliminate duplicates Z: 8 7.303 1.396 0.637 0.858 1.000 0.857 CA 0.889 8 residues pruned to eliminate duplicates Z: 14 6.996 1.337 0.812 0.483 0.769 0.615 CA 1.059 8 residues pruned to eliminate duplicates Z: 13 12.031 1.381 0.781 0.886 1.000 0.750 CA 1.019 13 residues pruned to eliminate duplicates Z: 12 10.087 1.373 0.535 0.924 1.000 0.818 CA 1.014 12 residues pruned to eliminate duplicates Z: 9 4.604 1.175 0.751 0.576 0.875 0.625 O 0.840 9 residues pruned to eliminate duplicates Z: 13 6.177 1.362 0.817 0.408 0.833 0.417 CB 0.951 13 residues pruned to eliminate duplicates Z: 45 24.362 1.730 0.540 0.773 0.955 0.818 CB 1.135 52 residues pruned to eliminate duplicates Z: 13 13.962 1.393 0.886 0.903 1.000 0.667 CA 1.094 13 residues pruned to eliminate duplicates Z: 46 25.718 1.729 0.560 0.804 0.956 0.800 CB 1.140 65 residues pruned to eliminate duplicates 6 1.097 1.352 0.129 0.279 0.400 0.000 CB 1.032 ? Z: 10 8.872 1.517 0.637 0.653 0.889 0.556 CA 1.162 10 residues pruned to eliminate duplicates Z: 11 10.439 1.582 0.822 0.701 0.900 0.600 CB 1.059 11 residues pruned to eliminate duplicates Z: 11 12.201 1.582 0.912 0.624 0.900 0.800 CB 1.261 11 residues pruned to eliminate duplicates Z: 9 7.116 1.489 0.598 0.408 0.875 0.375 CA 1.332 9 residues pruned to eliminate duplicates Z: 10 10.850 1.539 0.897 0.647 0.889 0.444 CB 1.216 10 residues pruned to eliminate duplicates Z: 11 8.409 1.531 0.877 0.589 0.800 0.500 CB 1.062 11 residues pruned to eliminate duplicates Z: 7 4.732 1.470 0.566 0.487 0.833 0.167 CB 1.021 7 residues pruned to eliminate duplicates Z: 15 13.200 1.515 0.833 0.622 0.857 0.214 CB 1.321 15 residues pruned to eliminate duplicates Z: 10 12.778 1.607 0.886 0.735 0.889 0.556 CB 1.280 10 residues pruned to eliminate duplicates Z: 20 13.272 1.502 0.586 0.690 0.895 0.526 CB 1.201 20 residues pruned to eliminate duplicates Z: 11 11.507 1.543 0.998 0.713 0.900 0.400 CB 1.081 11 residues pruned to eliminate duplicates Z: 26 16.117 1.530 0.757 0.738 0.960 0.600 CB 1.009 26 residues pruned to eliminate duplicates Z: 8 5.089 1.473 0.802 0.706 0.714 0.286 CB 0.841 8 residues pruned to eliminate duplicates Z: 11 9.720 1.561 0.280 0.865 0.900 0.700 CB 1.252 11 residues pruned to eliminate duplicates Z: 11 9.738 1.541 0.124 0.921 1.000 0.900 CA 1.251 11 residues pruned to eliminate duplicates Z: 10 11.716 1.600 0.333 0.897 1.000 1.000 CB 1.310 10 residues pruned to eliminate duplicates Z: 7 7.255 1.450 0.585 0.864 1.000 0.833 CB 0.945 7 residues pruned to eliminate duplicates Z: 11 10.748 1.526 0.425 0.829 1.000 0.600 CB 1.176 11 residues pruned to eliminate duplicates Z: 12 10.047 1.492 0.500 0.712 1.000 0.636 CB 1.117 12 residues pruned to eliminate duplicates Z: 11 11.975 1.577 0.578 0.776 0.900 0.600 CB 1.325 11 residues pruned to eliminate duplicates Z: 11 11.141 1.552 0.569 0.774 0.900 0.400 CB 1.261 11 residues pruned to eliminate duplicates Z: 11 14.089 1.556 0.797 0.900 1.000 0.700 CB 1.138 11 residues pruned to eliminate duplicates Z: 12 10.451 1.488 0.663 0.747 0.909 0.636 CB 1.123 12 residues pruned to eliminate duplicates Z: 11 12.736 1.542 0.664 0.788 1.000 0.600 CB 1.219 11 residues pruned to eliminate duplicates Z: 35 31.007 1.967 0.587 0.780 0.971 0.824 CA 1.371 35 residues pruned to eliminate duplicates Z: 34 31.157 1.908 0.688 0.803 0.939 0.879 CA 1.376 34 residues pruned to eliminate duplicates Z: 20 22.836 1.792 0.758 0.795 1.000 0.789 CB 1.284 20 residues pruned to eliminate duplicates Z: 15 23.739 1.911 0.831 0.839 0.929 0.714 CB 1.458 15 residues pruned to eliminate duplicates Z: 57 44.221 1.981 0.830 0.771 0.964 0.679 CB 1.330 57 residues pruned to eliminate duplicates Z: 12 14.677 1.867 0.821 0.702 0.909 0.455 CB 1.191 12 residues pruned to eliminate duplicates Z: 14 14.881 1.787 0.738 0.617 1.000 0.538 CB 1.190 14 residues pruned to eliminate duplicates Z: 52 40.628 2.007 0.723 0.724 0.961 0.667 CB 1.399 52 residues pruned to eliminate duplicates Z: 32 38.821 1.973 0.823 0.858 0.968 0.742 CA 1.475 32 residues pruned to eliminate duplicates Z: 39 39.751 1.897 0.843 0.894 0.974 0.632 CB 1.359 39 residues pruned to eliminate duplicates Z: 51 44.717 2.023 0.560 0.835 1.000 0.800 CA 1.501 51 residues pruned to eliminate duplicates Z: 26 30.780 2.020 0.769 0.790 0.960 0.840 CB 1.391 26 residues pruned to eliminate duplicates Z: 25 29.161 2.011 0.644 0.814 0.958 0.833 CA 1.430 25 residues pruned to eliminate duplicates Z: 51 42.288 2.010 0.654 0.779 0.920 0.660 CA 1.530 51 residues pruned to eliminate duplicates Z: 47 47.703 2.078 0.671 0.851 0.978 0.826 CA 1.533 47 residues pruned to eliminate duplicates Z: 25 30.846 1.975 0.699 0.821 1.000 0.917 CB 1.421 25 residues pruned to eliminate duplicates Z: 69 52.411 2.048 0.626 0.887 0.941 0.794 CA 1.462 69 residues pruned to eliminate duplicates Z: 26 17.897 1.889 0.486 0.632 0.840 0.760 CB 1.341 26 residues pruned to eliminate duplicates Z: 25 27.462 1.995 0.755 0.716 0.833 0.708 CB 1.579 25 residues pruned to eliminate duplicates Z: 47 45.429 2.057 0.634 0.811 0.957 0.717 CA 1.589 47 residues pruned to eliminate duplicates Z: 65 46.077 1.921 0.792 0.768 0.938 0.609 CB 1.407 53 residues pruned to eliminate duplicates Z: 39 39.213 1.933 0.656 0.925 1.000 0.895 CB 1.395 39 residues pruned to eliminate duplicates Z: 40 42.845 2.097 0.641 0.854 0.974 0.846 CB 1.511 40 residues pruned to eliminate duplicates Z: 15 21.372 2.035 0.738 0.727 0.929 0.786 CA 1.417 15 residues pruned to eliminate duplicates Z: 35 37.111 2.055 0.729 0.732 0.971 0.676 CB 1.497 35 residues pruned to eliminate duplicates Z: 17 21.893 1.914 0.769 0.696 0.938 0.688 CB 1.442 17 residues pruned to eliminate duplicates Z: 39 38.944 2.047 0.717 0.808 0.921 0.684 CA 1.491 39 residues pruned to eliminate duplicates Z: 42 40.342 2.063 0.641 0.823 0.951 0.756 CB 1.480 42 residues pruned to eliminate duplicates Z: 43 44.365 2.063 0.651 0.831 0.976 0.690 CB 1.547 43 residues pruned to eliminate duplicates Z: 46 42.029 2.075 0.665 0.782 0.933 0.733 CB 1.516 46 residues pruned to eliminate duplicates Z: 38 39.402 2.093 0.530 0.822 0.973 0.703 CA 1.573 38 residues pruned to eliminate duplicates Z: 48 40.876 1.995 0.821 0.718 0.957 0.766 CB 1.407 48 residues pruned to eliminate duplicates Z: 52 40.616 1.997 0.722 0.702 0.941 0.569 CB 1.462 52 residues pruned to eliminate duplicates Z: 43 41.620 2.055 0.668 0.817 0.976 0.714 CB 1.457 43 residues pruned to eliminate duplicates Z: 42 42.747 2.049 0.665 0.818 0.976 0.659 CB 1.522 42 residues pruned to eliminate duplicates Z: 35 30.655 1.932 0.772 0.649 0.912 0.647 CB 1.466 35 residues pruned to eliminate duplicates Z: 54 44.811 1.957 0.776 0.774 0.925 0.717 CA 1.503 54 residues pruned to eliminate duplicates Z: 47 46.500 2.035 0.801 0.764 0.957 0.696 CB 1.547 47 residues pruned to eliminate duplicates Z: 42 37.586 2.033 0.640 0.765 0.951 0.707 CB 1.463 42 residues pruned to eliminate duplicates Z: 45 36.975 2.058 0.636 0.718 0.932 0.750 CA 1.459 45 residues pruned to eliminate duplicates Z: 43 37.347 2.042 0.611 0.760 0.976 0.667 CB 1.425 43 residues pruned to eliminate duplicates Z: 59 33.747 1.896 0.519 0.639 0.931 0.707 CB 1.451 59 residues pruned to eliminate duplicates Z: 50 35.784 1.976 0.693 0.652 0.959 0.735 CB 1.384 50 residues pruned to eliminate duplicates Z: 39 42.867 2.105 0.644 0.818 0.974 0.816 CA 1.566 39 residues pruned to eliminate duplicates Z: 57 45.792 1.986 0.780 0.726 0.946 0.661 CA 1.491 57 residues pruned to eliminate duplicates Z: 45 32.667 1.970 0.583 0.707 0.932 0.682 CA 1.404 45 residues pruned to eliminate duplicates Z: 48 41.549 2.012 0.702 0.737 0.936 0.681 CB 1.529 48 residues pruned to eliminate duplicates Z: 51 41.194 2.032 0.781 0.760 0.940 0.700 CB 1.359 51 residues pruned to eliminate duplicates Z: 42 40.793 2.075 0.751 0.806 0.951 0.707 CB 1.411 42 residues pruned to eliminate duplicates Z: 55 48.517 2.052 0.825 0.811 0.963 0.611 CB 1.396 55 residues pruned to eliminate duplicates Z: 45 40.634 2.038 0.832 0.755 0.955 0.545 CB 1.370 45 residues pruned to eliminate duplicates Z: 44 39.963 2.026 0.841 0.808 0.977 0.581 CB 1.279 44 residues pruned to eliminate duplicates Z: 17 20.760 1.927 1.004 0.777 0.938 0.625 CB 1.123 17 residues pruned to eliminate duplicates Z: 55 49.448 2.044 0.835 0.852 0.944 0.574 CB 1.405 55 residues pruned to eliminate duplicates Z: 17 24.960 2.024 0.582 0.935 1.000 0.688 CB 1.357 17 residues pruned to eliminate duplicates Z: 20 29.747 1.950 1.103 0.884 0.947 0.737 CB 1.270 20 residues pruned to eliminate duplicates Z: 9 10.796 1.984 0.786 0.672 0.875 0.500 CB 1.051 9 residues pruned to eliminate duplicates Z: 16 17.776 1.961 1.010 0.613 0.867 0.467 CB 1.207 16 residues pruned to eliminate duplicates Z: 16 15.898 1.949 0.966 0.619 0.867 0.333 CB 1.105 16 residues pruned to eliminate duplicates Z: 16 17.943 1.945 1.020 0.612 0.867 0.267 CB 1.223 16 residues pruned to eliminate duplicates Z: 16 14.292 1.951 0.923 0.561 0.800 0.267 CB 1.159 16 residues pruned to eliminate duplicates Z: 17 25.212 2.000 1.188 0.660 0.938 0.438 CB 1.324 17 residues pruned to eliminate duplicates Z: 18 19.014 1.959 0.987 0.582 0.882 0.294 CB 1.241 18 residues pruned to eliminate duplicates Z: 16 15.350 1.937 0.896 0.661 0.800 0.400 CB 1.162 16 residues pruned to eliminate duplicates Z: 17 19.287 1.995 1.051 0.611 0.875 0.188 CB 1.212 17 residues pruned to eliminate duplicates Z: 9 7.700 1.768 0.740 0.470 0.625 0.125 O 1.459 9 residues pruned to eliminate duplicates Z: 65 44.316 2.020 0.614 0.718 0.953 0.703 CB 1.463 77 residues pruned to eliminate duplicates Z: 30 37.987 2.115 0.638 0.938 1.000 0.862 CA 1.416 30 residues pruned to eliminate duplicates Z: 44 36.072 2.053 0.586 0.722 0.930 0.744 CA 1.487 44 residues pruned to eliminate duplicates Z: 56 46.454 2.067 0.685 0.804 0.945 0.800 CA 1.459 56 residues pruned to eliminate duplicates Z: 46 29.242 1.968 0.397 0.697 0.933 0.622 CB 1.419 46 residues pruned to eliminate duplicates Z: 51 46.218 2.106 0.680 0.806 0.960 0.840 CB 1.473 51 residues pruned to eliminate duplicates Z: 39 41.283 2.127 0.627 0.830 0.974 0.895 CA 1.494 39 residues pruned to eliminate duplicates Z: 40 36.263 2.101 0.599 0.773 0.923 0.872 CB 1.470 40 residues pruned to eliminate duplicates Z: 35 30.412 1.932 0.755 0.686 0.882 0.647 CA 1.471 35 residues pruned to eliminate duplicates Z: 21 35.680 2.146 0.843 0.901 1.000 0.750 CA 1.440 21 residues pruned to eliminate duplicates Z: 30 40.696 2.134 0.686 0.939 1.000 0.931 CA 1.459 30 residues pruned to eliminate duplicates Z: 53 43.016 2.040 0.710 0.756 0.942 0.827 CA 1.444 53 residues pruned to eliminate duplicates Z: 32 32.958 2.083 0.586 0.890 0.935 0.903 CA 1.378 32 residues pruned to eliminate duplicates Z: 50 45.653 2.104 0.749 0.813 0.959 0.776 CA 1.407 50 residues pruned to eliminate duplicates Z: 40 39.305 2.099 0.574 0.809 1.000 0.821 CB 1.456 40 residues pruned to eliminate duplicates Z: 40 38.816 2.091 0.677 0.797 0.949 0.795 CB 1.440 40 residues pruned to eliminate duplicates Z: 31 44.314 2.115 0.924 0.919 0.967 0.900 CA 1.450 31 residues pruned to eliminate duplicates Z: 40 37.027 2.101 0.574 0.794 0.949 0.846 CA 1.460 40 residues pruned to eliminate duplicates Z: 41 38.484 2.074 0.728 0.784 0.925 0.800 CA 1.429 41 residues pruned to eliminate duplicates Z: 39 37.429 2.102 0.589 0.803 0.947 0.763 CB 1.473 39 residues pruned to eliminate duplicates Z: 52 38.285 2.073 0.652 0.729 0.922 0.804 CA 1.381 52 residues pruned to eliminate duplicates Z: 51 46.943 2.100 0.648 0.812 0.980 0.760 CA 1.492 51 residues pruned to eliminate duplicates Z: 42 38.504 2.097 0.683 0.764 0.951 0.805 CA 1.417 42 residues pruned to eliminate duplicates Z: 31 47.391 2.151 0.880 0.921 1.000 0.867 CB 1.506 31 residues pruned to eliminate duplicates Z: 40 41.512 2.092 0.803 0.803 0.923 0.821 CB 1.465 40 residues pruned to eliminate duplicates Z: 41 43.157 2.047 0.892 0.803 0.950 0.700 CB 1.423 41 residues pruned to eliminate duplicates Z: 31 48.132 2.109 1.001 0.930 0.967 0.733 CB 1.507 31 residues pruned to eliminate duplicates Z: 52 50.713 2.061 0.934 0.799 0.941 0.725 CB 1.458 52 residues pruned to eliminate duplicates Z: 54 52.963 2.089 0.941 0.827 0.943 0.774 CA 1.433 54 residues pruned to eliminate duplicates Z: 54 52.408 2.058 0.948 0.817 0.943 0.679 CA 1.445 54 residues pruned to eliminate duplicates Z: 53 42.687 2.032 0.737 0.785 0.923 0.654 CA 1.414 53 residues pruned to eliminate duplicates Z: 43 36.296 2.043 0.680 0.734 0.905 0.690 CA 1.461 43 residues pruned to eliminate duplicates Z: 55 55.500 2.067 0.987 0.816 0.944 0.759 CA 1.480 55 residues pruned to eliminate duplicates Z: 27 17.634 1.922 0.494 0.565 0.808 0.731 CA 1.401 27 residues pruned to eliminate duplicates Z: 27 23.731 1.929 0.696 0.675 0.846 0.731 CA 1.430 27 residues pruned to eliminate duplicates Z: 30 23.271 1.943 0.671 0.625 0.862 0.586 CB 1.371 30 residues pruned to eliminate duplicates Z: 28 25.456 1.945 0.625 0.663 0.926 0.630 CB 1.439 28 residues pruned to eliminate duplicates Z: 49 46.716 2.017 0.996 0.726 0.896 0.542 CB 1.525 49 residues pruned to eliminate duplicates Z: 25 22.927 2.025 0.578 0.697 0.917 0.792 CA 1.335 25 residues pruned to eliminate duplicates Z: 19 26.570 1.975 0.967 0.727 0.944 0.833 CA 1.391 19 residues pruned to eliminate duplicates Z: 50 49.477 2.078 0.865 0.790 0.959 0.837 CA 1.475 50 residues pruned to eliminate duplicates Z: 25 21.586 1.954 0.541 0.761 0.917 0.708 CA 1.265 25 residues pruned to eliminate duplicates Z: 22 26.918 2.014 0.770 0.777 1.000 0.667 CA 1.291 22 residues pruned to eliminate duplicates Z: 51 50.061 2.028 0.956 0.813 0.920 0.660 CB 1.478 51 residues pruned to eliminate duplicates Z: 19 25.954 2.038 0.969 0.793 0.944 0.778 CA 1.249 19 residues pruned to eliminate duplicates Z: 14 12.553 1.865 0.863 0.578 0.769 0.692 CB 1.208 14 residues pruned to eliminate duplicates Z: 20 18.782 1.892 0.725 0.705 0.895 0.526 CB 1.224 20 residues pruned to eliminate duplicates Z: 53 50.762 1.987 1.108 0.815 0.923 0.558 CB 1.385 53 residues pruned to eliminate duplicates Z: 13 19.095 1.973 0.990 0.649 0.917 0.667 CA 1.332 13 residues pruned to eliminate duplicates Z: 14 22.275 1.981 0.944 0.876 1.000 0.692 CB 1.166 14 residues pruned to eliminate duplicates Z: 20 25.126 1.905 0.846 0.844 0.947 0.737 CB 1.288 20 residues pruned to eliminate duplicates Z: 25 26.412 1.883 0.822 0.785 0.917 0.750 CB 1.335 25 residues pruned to eliminate duplicates Z: 21 23.449 1.824 0.943 0.888 0.900 0.450 CB 1.184 21 residues pruned to eliminate duplicates Z: 13 13.079 1.797 0.602 0.782 0.917 0.667 CB 1.116 13 residues pruned to eliminate duplicates Z: 15 13.058 1.709 0.608 0.801 0.857 0.714 CB 1.139 15 residues pruned to eliminate duplicates Z: 11 14.932 1.894 0.706 0.843 0.900 0.700 CB 1.209 11 residues pruned to eliminate duplicates Z: 26 23.999 1.869 0.819 0.739 0.920 0.680 CB 1.239 26 residues pruned to eliminate duplicates Z: 14 20.095 1.789 1.070 0.853 0.923 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 16 18.226 1.730 0.962 0.801 0.933 0.867 CA 1.142 16 residues pruned to eliminate duplicates Z: 22 13.170 1.778 0.627 0.620 0.762 0.476 CB 1.164 22 residues pruned to eliminate duplicates Z: 13 15.960 1.728 0.947 0.750 1.000 0.583 CB 1.095 13 residues pruned to eliminate duplicates Z: 11 9.331 1.521 0.462 0.639 1.000 0.500 N 1.164 10 residues pruned to eliminate duplicates Z: 36 29.554 1.754 0.461 0.884 1.000 0.743 CB 1.408 36 residues pruned to eliminate duplicates Z: 62 40.539 1.879 0.599 0.807 0.967 0.836 CB 1.366 62 residues pruned to eliminate duplicates Z: 36 30.587 1.774 0.474 0.903 1.000 0.743 CB 1.409 36 residues pruned to eliminate duplicates Z: 37 27.885 1.765 0.443 0.902 0.972 0.750 CB 1.338 37 residues pruned to eliminate duplicates Z: 36 29.912 1.751 0.500 0.896 0.971 0.800 CB 1.419 36 residues pruned to eliminate duplicates Z: 62 42.742 1.927 0.561 0.850 0.967 0.852 CB 1.393 63 residues pruned to eliminate duplicates Z: 20 18.289 1.595 0.405 0.915 0.947 0.632 N 1.397 20 residues pruned to eliminate duplicates Z: 28 28.431 1.749 0.611 0.879 0.963 0.704 CB 1.462 29 residues pruned to eliminate duplicates Z: 36 26.123 1.719 0.522 0.832 0.971 0.714 CB 1.305 36 residues pruned to eliminate duplicates Z: 27 28.873 1.777 0.692 0.909 0.962 0.808 CB 1.390 26 residues pruned to eliminate duplicates Z: 25 20.662 1.623 0.495 0.912 0.958 0.625 CB 1.285 25 residues pruned to eliminate duplicates Z: 15 19.238 1.700 0.557 0.907 0.929 0.643 CB 1.486 15 residues pruned to eliminate duplicates Z: 25 24.395 1.708 0.549 0.843 0.958 0.750 CB 1.463 25 residues pruned to eliminate duplicates Z: 21 22.639 1.807 0.584 0.829 1.000 0.850 CB 1.331 21 residues pruned to eliminate duplicates Z: 61 43.998 1.916 0.567 0.864 0.983 0.817 CB 1.411 61 residues pruned to eliminate duplicates Z: 27 27.497 1.747 0.808 0.913 0.923 0.731 CB 1.309 27 residues pruned to eliminate duplicates Z: 19 21.662 1.808 0.727 0.837 0.889 0.833 CB 1.376 19 residues pruned to eliminate duplicates Z: 54 29.584 1.878 0.436 0.720 0.943 0.642 CB 1.310 54 residues pruned to eliminate duplicates Z: 49 33.451 1.924 0.545 0.806 0.979 0.708 CB 1.271 49 residues pruned to eliminate duplicates Z: 27 21.013 1.779 0.552 0.764 0.846 0.615 CB 1.396 27 residues pruned to eliminate duplicates Z: 23 19.845 1.713 0.746 0.759 0.818 0.727 CB 1.373 23 residues pruned to eliminate duplicates Z: 30 32.557 1.794 0.726 0.881 1.000 0.862 CB 1.413 30 residues pruned to eliminate duplicates Z: 53 37.586 1.949 0.546 0.844 0.981 0.731 CB 1.312 53 residues pruned to eliminate duplicates Z: 47 36.173 1.972 0.411 0.857 0.978 0.848 CB 1.444 47 residues pruned to eliminate duplicates Z: 31 27.126 1.785 0.575 0.903 0.900 0.667 CB 1.395 31 residues pruned to eliminate duplicates Z: 43 33.406 1.946 0.583 0.728 0.929 0.667 CB 1.468 43 residues pruned to eliminate duplicates Z: 46 38.563 1.950 0.620 0.825 0.978 0.844 CB 1.405 46 residues pruned to eliminate duplicates Z: 54 37.324 1.944 0.568 0.848 0.943 0.660 CB 1.323 54 residues pruned to eliminate duplicates Z: 61 39.639 1.923 0.481 0.885 0.967 0.783 CB 1.341 61 residues pruned to eliminate duplicates Z: 36 21.326 1.862 0.378 0.684 0.857 0.629 CB 1.384 36 residues pruned to eliminate duplicates Z: 40 29.224 1.929 0.461 0.790 0.949 0.872 CB 1.357 40 residues pruned to eliminate duplicates Z: 51 35.788 1.935 0.550 0.821 0.940 0.640 CB 1.359 51 residues pruned to eliminate duplicates Z: 54 33.249 1.963 0.477 0.771 0.943 0.698 CB 1.314 54 residues pruned to eliminate duplicates Z: 26 20.453 1.885 0.402 0.813 1.000 0.640 CB 1.179 26 residues pruned to eliminate duplicates Z: 49 37.725 1.988 0.551 0.850 0.958 0.729 CB 1.365 49 residues pruned to eliminate duplicates Z: 57 41.851 1.963 0.542 0.866 0.982 0.821 CB 1.377 57 residues pruned to eliminate duplicates Z: 61 41.855 1.919 0.548 0.860 1.000 0.783 CB 1.337 59 residues pruned to eliminate duplicates Z: 23 27.210 2.155 0.382 0.948 1.000 0.909 CB 1.344 23 residues pruned to eliminate duplicates Z: 53 30.301 1.915 0.425 0.749 0.942 0.635 CB 1.308 53 residues pruned to eliminate duplicates Z: 53 33.859 1.918 0.484 0.786 0.962 0.731 CB 1.335 53 residues pruned to eliminate duplicates Z: 49 36.255 1.969 0.627 0.833 0.958 0.688 CB 1.279 49 residues pruned to eliminate duplicates Z: 48 37.667 1.994 0.608 0.856 0.979 0.596 CB 1.290 48 residues pruned to eliminate duplicates Z: 52 41.510 1.981 0.667 0.857 0.980 0.745 CB 1.323 52 residues pruned to eliminate duplicates Z: 57 48.418 1.957 0.734 0.894 0.982 0.643 CB 1.393 57 residues pruned to eliminate duplicates Z: 26 30.607 2.057 0.697 0.935 1.000 0.640 CB 1.222 26 residues pruned to eliminate duplicates Z: 40 28.394 1.951 0.519 0.702 0.974 0.667 CB 1.309 40 residues pruned to eliminate duplicates Z: 64 37.658 1.895 0.546 0.828 0.921 0.619 CB 1.324 64 residues pruned to eliminate duplicates Z: 56 38.895 1.951 0.607 0.841 1.000 0.691 CB 1.247 56 residues pruned to eliminate duplicates Z: 55 37.008 1.945 0.742 0.851 0.926 0.537 CB 1.188 55 residues pruned to eliminate duplicates Z: 63 43.446 1.919 0.722 0.874 0.952 0.613 CB 1.277 63 residues pruned to eliminate duplicates Z: 56 37.385 1.926 0.689 0.855 1.000 0.618 CB 1.143 56 residues pruned to eliminate duplicates Z: 57 38.408 1.932 0.796 0.796 0.929 0.589 CB 1.229 57 residues pruned to eliminate duplicates Z: 11 15.189 1.927 0.706 0.816 1.000 0.600 CB 1.110 11 residues pruned to eliminate duplicates Z: 62 49.109 1.926 0.854 0.890 0.984 0.590 CB 1.288 62 residues pruned to eliminate duplicates Z: 25 23.535 1.894 0.825 0.928 1.000 0.625 CB 0.974 25 residues pruned to eliminate duplicates Z: 61 38.285 1.903 0.755 0.791 0.983 0.567 CB 1.166 61 residues pruned to eliminate duplicates Z: 61 40.515 1.922 0.748 0.874 0.983 0.517 CB 1.152 61 residues pruned to eliminate duplicates Z: 59 37.503 1.892 0.784 0.801 0.948 0.379 CB 1.182 59 residues pruned to eliminate duplicates Z: 37 31.521 2.009 0.903 0.822 0.944 0.389 CB 1.100 37 residues pruned to eliminate duplicates Z: 60 42.971 1.916 0.834 0.820 0.949 0.525 CB 1.271 60 residues pruned to eliminate duplicates Z: 62 42.141 1.896 0.890 0.864 0.951 0.459 CB 1.162 62 residues pruned to eliminate duplicates Z: 17 22.832 1.925 0.846 0.948 1.000 0.688 CB 1.109 17 residues pruned to eliminate duplicates Z: 61 43.218 1.939 0.785 0.854 0.983 0.683 CB 1.211 61 residues pruned to eliminate duplicates Z: 57 37.711 1.891 0.659 0.833 0.982 0.679 CB 1.227 57 residues pruned to eliminate duplicates Z: 25 22.587 1.861 0.819 0.948 1.000 0.667 CB 0.941 25 residues pruned to eliminate duplicates Z: 71 48.736 1.903 0.787 0.898 0.986 0.714 CB 1.243 71 residues pruned to eliminate duplicates Z: 38 30.751 1.968 0.489 0.776 0.919 0.730 CB 1.471 38 residues pruned to eliminate duplicates Z: 16 11.155 1.801 0.466 0.532 0.867 0.733 CB 1.219 16 residues pruned to eliminate duplicates Z: 57 43.607 1.976 0.660 0.759 0.946 0.750 CA 1.491 57 residues pruned to eliminate duplicates Z: 13 13.888 1.842 0.549 0.701 0.833 0.750 CB 1.405 13 residues pruned to eliminate duplicates Z: 10 15.308 1.879 0.752 0.791 1.000 0.667 CB 1.201 10 residues pruned to eliminate duplicates Z: 57 43.362 1.963 0.626 0.768 0.946 0.679 CB 1.513 57 residues pruned to eliminate duplicates Z: 20 19.051 1.747 0.844 0.692 0.947 0.632 CB 1.201 20 residues pruned to eliminate duplicates Z: 58 42.329 1.945 0.665 0.761 0.930 0.737 CB 1.477 58 residues pruned to eliminate duplicates Z: 36 32.531 2.020 0.601 0.781 0.914 0.800 CB 1.452 36 residues pruned to eliminate duplicates Z: 55 44.779 2.004 0.659 0.792 0.926 0.741 CB 1.532 55 residues pruned to eliminate duplicates Z: 35 38.058 2.050 0.787 0.799 0.971 0.647 CB 1.413 35 residues pruned to eliminate duplicates Z: 42 34.604 1.961 0.708 0.679 0.951 0.756 CB 1.439 42 residues pruned to eliminate duplicates Z: 55 44.079 1.971 0.750 0.762 0.963 0.648 CB 1.431 55 residues pruned to eliminate duplicates Z: 20 25.897 2.115 0.671 0.692 0.895 0.789 CB 1.575 20 residues pruned to eliminate duplicates Z: 35 37.088 2.048 0.646 0.787 1.000 0.794 CB 1.466 35 residues pruned to eliminate duplicates Z: 56 47.675 1.989 0.806 0.756 0.964 0.727 CB 1.479 62 residues pruned to eliminate duplicates Z: 31 38.934 2.007 0.735 0.922 0.967 0.767 CB 1.485 31 residues pruned to eliminate duplicates Z: 45 31.744 1.967 0.579 0.695 0.886 0.705 CB 1.455 28 residues pruned to eliminate duplicates Z: 30 39.627 2.057 0.661 0.947 1.000 0.897 CB 1.489 30 residues pruned to eliminate duplicates Z: 23 24.408 2.086 0.664 0.620 0.909 0.727 CB 1.472 23 residues pruned to eliminate duplicates Z: 41 35.548 2.014 0.801 0.742 0.875 0.700 CB 1.425 41 residues pruned to eliminate duplicates Z: 37 34.889 2.004 0.808 0.750 0.889 0.778 CB 1.444 37 residues pruned to eliminate duplicates Z: 42 32.380 1.966 0.678 0.721 0.902 0.634 CB 1.391 42 residues pruned to eliminate duplicates Z: 26 26.350 1.925 0.628 0.722 0.920 0.640 CB 1.496 26 residues pruned to eliminate duplicates Z: 44 34.043 1.991 0.536 0.690 0.930 0.744 CA 1.534 44 residues pruned to eliminate duplicates Z: 26 21.347 1.967 0.601 0.605 0.880 0.640 CA 1.395 26 residues pruned to eliminate duplicates Z: 45 34.875 1.971 0.585 0.747 0.909 0.727 CB 1.484 45 residues pruned to eliminate duplicates Z: 39 33.919 2.017 0.646 0.716 0.921 0.684 CB 1.479 9 residues pruned to eliminate duplicates Z: 24 27.148 1.797 0.890 0.858 1.000 0.739 CA 1.227 23 residues pruned to eliminate duplicates Z: 23 24.030 1.860 0.529 0.874 1.000 0.773 CA 1.311 23 residues pruned to eliminate duplicates Z: 42 35.330 1.958 0.638 0.671 0.976 0.659 CB 1.506 42 residues pruned to eliminate duplicates Z: 23 24.430 1.872 0.668 0.732 1.000 0.818 CA 1.354 23 residues pruned to eliminate duplicates Z: 40 30.536 1.980 0.537 0.682 0.897 0.692 CB 1.515 40 residues pruned to eliminate duplicates Z: 24 25.000 1.926 0.669 0.724 0.957 0.870 CA 1.385 24 residues pruned to eliminate duplicates Z: 40 32.409 2.003 0.593 0.709 0.897 0.744 CA 1.499 40 residues pruned to eliminate duplicates Z: 40 35.323 2.047 0.559 0.781 0.949 0.821 CA 1.458 40 residues pruned to eliminate duplicates Z: 35 31.625 2.005 0.725 0.755 0.853 0.676 CB 1.465 35 residues pruned to eliminate duplicates Z: 55 39.127 1.962 0.693 0.765 0.944 0.704 CB 1.342 55 residues pruned to eliminate duplicates Z: 44 36.917 1.995 0.606 0.714 0.930 0.791 CA 1.556 44 residues pruned to eliminate duplicates Z: 57 44.016 1.966 0.841 0.763 0.929 0.589 CB 1.386 57 residues pruned to eliminate duplicates Z: 56 43.627 1.991 0.776 0.763 0.891 0.709 CB 1.479 56 residues pruned to eliminate duplicates Z: 16 16.418 1.801 0.561 0.643 0.933 0.800 CA 1.414 16 residues pruned to eliminate duplicates Z: 13 20.623 1.928 0.760 0.769 0.917 0.583 CA 1.508 13 residues pruned to eliminate duplicates Z: 19 18.105 1.793 0.606 0.591 0.944 0.444 CB 1.438 19 residues pruned to eliminate duplicates Z: 29 20.950 1.861 0.540 0.636 0.893 0.464 CB 1.362 29 residues pruned to eliminate duplicates Z: 21 21.663 1.889 0.781 0.675 0.950 0.650 CB 1.290 21 residues pruned to eliminate duplicates Z: 21 26.956 2.067 0.685 0.815 0.950 0.800 CB 1.386 21 residues pruned to eliminate duplicates Z: 44 39.125 2.014 0.661 0.742 0.930 0.721 CB 1.544 44 residues pruned to eliminate duplicates Z: 6 5.499 1.805 0.812 0.484 0.600 0.600 N 1.273 Z: 30 38.905 2.055 0.783 0.933 1.000 0.828 CB 1.376 36 residues pruned to eliminate duplicates Z: 39 35.334 2.023 0.701 0.772 0.947 0.737 CB 1.382 39 residues pruned to eliminate duplicates Z: 17 9.112 1.865 0.243 0.516 0.812 0.688 CA 1.191 26 residues pruned to eliminate duplicates Z: 15 12.003 1.897 0.341 0.610 0.786 0.643 CB 1.446 15 residues pruned to eliminate duplicates Z: 50 36.461 1.953 0.715 0.705 0.857 0.714 CB 1.506 50 residues pruned to eliminate duplicates Z: 49 39.881 1.999 0.616 0.752 0.938 0.771 CA 1.519 28 residues pruned to eliminate duplicates Z: 23 30.470 2.002 0.582 0.918 1.000 0.818 CB 1.447 20 residues pruned to eliminate duplicates Z: 24 25.732 1.904 0.634 0.836 0.913 0.652 CB 1.414 24 residues pruned to eliminate duplicates Z: 49 38.574 1.965 0.686 0.742 0.958 0.792 CA 1.412 49 residues pruned to eliminate duplicates Z: 47 40.829 2.034 0.567 0.760 0.957 0.739 CA 1.567 47 residues pruned to eliminate duplicates Z: 50 35.616 1.947 0.748 0.643 0.918 0.633 CA 1.424 50 residues pruned to eliminate duplicates Z: 49 31.191 1.957 0.496 0.699 0.896 0.750 CA 1.432 49 residues pruned to eliminate duplicates Z: 49 31.792 1.933 0.546 0.664 0.854 0.667 CA 1.545 49 residues pruned to eliminate duplicates Z: 33 31.877 1.961 0.883 0.695 0.938 0.656 CB 1.361 33 residues pruned to eliminate duplicates Z: 28 29.260 1.958 0.908 0.707 0.963 0.667 CB 1.297 28 residues pruned to eliminate duplicates Z: 28 32.724 2.012 0.930 0.749 0.926 0.630 CB 1.402 28 residues pruned to eliminate duplicates Z: 30 28.697 1.987 0.841 0.694 0.897 0.621 CB 1.361 30 residues pruned to eliminate duplicates Z: 26 36.486 2.044 0.940 0.795 1.000 0.640 CB 1.421 26 residues pruned to eliminate duplicates Z: 35 25.621 1.905 0.906 0.688 0.794 0.559 CB 1.283 35 residues pruned to eliminate duplicates Z: 36 23.334 1.897 0.744 0.618 0.800 0.543 CB 1.333 36 residues pruned to eliminate duplicates Z: 24 36.318 2.090 0.885 0.861 1.000 0.696 CB 1.412 24 residues pruned to eliminate duplicates Z: 50 40.409 1.987 0.745 0.727 0.898 0.673 CB 1.511 45 residues pruned to eliminate duplicates Z: 24 37.308 2.033 0.964 0.845 1.000 0.696 CB 1.448 29 residues pruned to eliminate duplicates Z: 25 35.071 1.974 1.122 0.837 0.958 0.583 CB 1.333 26 residues pruned to eliminate duplicates Z: 25 23.742 1.931 0.398 0.860 0.958 0.708 CA 1.378 25 residues pruned to eliminate duplicates Z: 44 26.685 1.901 0.490 0.625 0.860 0.674 CB 1.485 44 residues pruned to eliminate duplicates Z: 33 25.983 2.002 0.439 0.761 0.938 0.781 CA 1.349 33 residues pruned to eliminate duplicates Z: 38 29.849 1.922 0.632 0.692 0.865 0.676 CA 1.517 38 residues pruned to eliminate duplicates Z: 18 29.205 2.103 0.758 0.826 0.941 0.765 CA 1.535 18 residues pruned to eliminate duplicates Z: 27 26.172 1.990 0.501 0.792 0.923 0.654 CA 1.440 27 residues pruned to eliminate duplicates Z: 24 28.226 2.064 0.494 0.881 0.957 0.913 CA 1.445 24 residues pruned to eliminate duplicates Z: 27 26.017 2.030 0.499 0.804 0.885 0.808 CA 1.453 27 residues pruned to eliminate duplicates Z: 47 30.182 1.928 0.541 0.662 0.913 0.630 CA 1.413 47 residues pruned to eliminate duplicates Z: 32 24.366 1.929 0.501 0.744 0.871 0.645 CA 1.395 32 residues pruned to eliminate duplicates Z: 35 30.806 2.053 0.455 0.799 0.941 0.912 CA 1.447 35 residues pruned to eliminate duplicates Z: 34 23.337 2.013 0.346 0.694 0.879 0.788 CA 1.429 34 residues pruned to eliminate duplicates Z: 46 32.566 1.953 0.574 0.706 0.889 0.778 CA 1.473 46 residues pruned to eliminate duplicates Z: 46 41.934 2.059 0.573 0.831 0.978 0.889 CA 1.482 46 residues pruned to eliminate duplicates Z: 38 34.341 2.023 0.624 0.794 0.892 0.811 CB 1.489 38 residues pruned to eliminate duplicates Z: 35 32.577 1.997 0.700 0.736 0.882 0.765 CA 1.509 35 residues pruned to eliminate duplicates Z: 30 26.324 1.974 0.750 0.670 0.828 0.759 CA 1.462 30 residues pruned to eliminate duplicates Z: 51 45.032 2.017 0.919 0.818 0.900 0.640 CB 1.387 51 residues pruned to eliminate duplicates Z: 40 33.873 1.956 0.624 0.747 0.923 0.718 CA 1.484 40 residues pruned to eliminate duplicates Z: 30 30.524 1.966 0.749 0.720 0.966 0.724 CB 1.399 30 residues pruned to eliminate duplicates Z: 21 18.109 1.717 0.353 0.914 1.000 0.850 CA 1.233 21 residues pruned to eliminate duplicates Z: 36 28.661 1.821 0.647 0.811 0.971 0.800 CA 1.268 36 residues pruned to eliminate duplicates Z: 35 23.895 1.784 0.546 0.791 0.912 0.765 CB 1.263 35 residues pruned to eliminate duplicates Z: 67 37.221 1.850 0.713 0.665 0.939 0.652 CB 1.321 67 residues pruned to eliminate duplicates Z: 34 30.898 1.789 0.908 0.794 0.939 0.576 CB 1.296 34 residues pruned to eliminate duplicates Z: 44 24.002 1.704 0.616 0.731 0.884 0.674 CB 1.222 44 residues pruned to eliminate duplicates Z: 30 24.303 1.810 0.700 0.733 0.897 0.586 CB 1.327 30 residues pruned to eliminate duplicates Z: 35 28.025 1.783 0.716 0.778 0.941 0.588 CB 1.306 35 residues pruned to eliminate duplicates Z: 35 26.653 1.772 0.771 0.776 0.941 0.706 CB 1.212 35 residues pruned to eliminate duplicates Z: 27 17.139 1.715 0.897 0.503 0.808 0.462 CB 1.275 27 residues pruned to eliminate duplicates Z: 19 21.513 1.815 0.691 0.908 0.944 0.667 CA 1.243 19 residues pruned to eliminate duplicates Z: 35 22.728 1.775 0.626 0.756 0.882 0.559 CB 1.219 35 residues pruned to eliminate duplicates Z: 34 24.411 1.764 0.897 0.697 0.848 0.455 CB 1.250 40 residues pruned to eliminate duplicates Z: 26 25.216 1.737 0.740 0.907 1.000 0.680 CB 1.187 22 residues pruned to eliminate duplicates Z: 23 21.525 1.759 0.637 0.903 0.909 0.818 CB 1.250 23 residues pruned to eliminate duplicates Z: 35 26.273 1.797 0.670 0.720 0.971 0.735 CA 1.268 35 residues pruned to eliminate duplicates Z: 34 23.960 1.788 0.676 0.788 0.909 0.697 CB 1.189 34 residues pruned to eliminate duplicates Z: 39 21.351 1.734 0.646 0.738 0.921 0.658 CB 1.064 39 residues pruned to eliminate duplicates Z: 30 26.605 1.827 0.792 0.771 0.931 0.690 CB 1.274 30 residues pruned to eliminate duplicates Z: 28 19.692 1.678 0.764 0.825 0.926 0.481 CB 1.044 28 residues pruned to eliminate duplicates Z: 32 25.165 1.764 0.802 0.783 0.968 0.484 CB 1.146 32 residues pruned to eliminate duplicates Z: 17 13.849 1.837 1.072 0.629 0.750 0.438 CB 1.074 17 residues pruned to eliminate duplicates Z: 43 23.151 1.687 0.738 0.746 0.881 0.524 CB 1.110 43 residues pruned to eliminate duplicates Z: 32 23.634 1.788 0.862 0.732 0.871 0.548 CB 1.188 32 residues pruned to eliminate duplicates Z: 11 9.889 1.745 0.968 0.622 0.900 0.400 CB 0.902 11 residues pruned to eliminate duplicates Z: 34 26.022 1.812 0.758 0.748 0.939 0.515 CB 1.214 34 residues pruned to eliminate duplicates Z: 30 21.946 1.804 0.838 0.729 0.897 0.552 CB 1.115 30 residues pruned to eliminate duplicates Z: 13 14.745 1.828 0.932 0.634 0.917 0.417 CA 1.159 13 residues pruned to eliminate duplicates Z: 34 21.805 1.718 0.665 0.770 0.879 0.576 CB 1.189 34 residues pruned to eliminate duplicates Z: 18 23.987 1.855 0.611 0.905 1.000 0.824 CA 1.385 18 residues pruned to eliminate duplicates Z: 25 22.081 1.774 0.791 0.728 0.875 0.792 CB 1.319 25 residues pruned to eliminate duplicates Z: 27 21.919 1.719 0.904 0.678 0.962 0.500 CA 1.159 27 residues pruned to eliminate duplicates Z: 49 34.915 1.790 0.855 0.827 0.875 0.646 CB 1.307 48 residues pruned to eliminate duplicates Z: 21 23.958 1.761 0.889 0.887 0.900 0.500 CB 1.289 21 residues pruned to eliminate duplicates Z: 28 23.538 1.776 0.603 0.778 0.926 0.593 CB 1.345 28 residues pruned to eliminate duplicates Z: 13 15.193 1.674 0.508 0.822 0.917 0.583 CA 1.434 13 residues pruned to eliminate duplicates Z: 15 19.270 1.767 0.645 0.864 1.000 0.786 N 1.299 15 residues pruned to eliminate duplicates Z: 39 24.330 1.740 0.672 0.711 0.895 0.632 CB 1.252 39 residues pruned to eliminate duplicates Z: 12 11.961 1.739 0.619 0.846 0.727 0.636 CA 1.308 12 residues pruned to eliminate duplicates Z: 19 22.224 1.781 0.699 0.859 0.944 0.778 CA 1.349 19 residues pruned to eliminate duplicates Z: 9 10.595 1.801 0.604 0.649 0.875 0.625 CA 1.290 9 residues pruned to eliminate duplicates Z: 17 19.945 1.771 0.614 0.860 0.938 0.750 CA 1.369 17 residues pruned to eliminate duplicates Z: 17 22.503 1.790 0.726 0.880 1.000 1.000 CB 1.319 17 residues pruned to eliminate duplicates Z: 24 26.559 1.799 0.708 0.898 0.957 0.739 CB 1.348 25 residues pruned to eliminate duplicates Z: 22 25.473 1.740 1.011 0.914 0.952 0.714 CB 1.179 21 residues pruned to eliminate duplicates Z: 17 22.613 1.758 0.920 0.879 1.000 0.875 CB 1.215 17 residues pruned to eliminate duplicates Z: 15 20.720 1.778 0.853 0.900 1.000 0.857 CB 1.200 15 residues pruned to eliminate duplicates Z: 12 9.115 1.676 0.548 0.604 0.818 0.455 CB 1.172 12 residues pruned to eliminate duplicates Z: 9 11.472 1.763 0.412 0.827 1.000 0.750 CB 1.228 9 residues pruned to eliminate duplicates Z: 11 8.857 1.811 0.484 0.650 0.900 0.500 CB 1.007 11 residues pruned to eliminate duplicates Z: 19 11.849 1.648 0.788 0.703 0.722 0.611 CB 1.091 19 residues pruned to eliminate duplicates Z: 9 16.417 1.783 0.758 0.904 1.000 1.000 CA 1.320 9 residues pruned to eliminate duplicates Z: 11 12.089 1.685 0.682 0.854 0.900 0.800 CB 1.106 11 residues pruned to eliminate duplicates Z: 15 12.155 1.659 0.246 0.628 1.000 0.643 CB 1.394 9 residues pruned to eliminate duplicates Z: 26 21.731 1.605 0.497 0.823 0.960 0.680 O 1.424 26 residues pruned to eliminate duplicates Z: 15 12.767 1.692 0.249 0.722 0.929 0.643 CB 1.423 15 residues pruned to eliminate duplicates Z: 13 9.436 1.616 0.112 0.690 0.917 0.917 CB 1.389 13 residues pruned to eliminate duplicates Z: 20 13.549 1.644 0.208 0.697 0.947 0.632 CA 1.380 30 residues pruned to eliminate duplicates Z: 15 9.066 1.644 0.272 0.534 0.857 0.571 CB 1.307 15 residues pruned to eliminate duplicates Z: 14 12.183 1.674 0.308 0.624 1.000 0.615 CA 1.372 14 residues pruned to eliminate duplicates Z: 11 7.428 1.577 0.604 0.530 0.700 0.400 CB 1.288 11 residues pruned to eliminate duplicates Z: 16 9.336 1.640 0.333 0.635 0.800 0.533 CB 1.214 16 residues pruned to eliminate duplicates Z: 9 8.891 1.544 0.737 0.775 0.875 0.375 CB 1.051 9 residues pruned to eliminate duplicates Z: 11 9.403 1.535 0.653 0.795 0.800 0.500 N 1.131 11 residues pruned to eliminate duplicates Z: 10 10.975 1.497 0.917 0.793 0.889 0.556 N 1.109 10 residues pruned to eliminate duplicates Z: 28 15.216 1.606 0.634 0.570 0.852 0.444 CB 1.224 28 residues pruned to eliminate duplicates Z: 17 12.521 1.541 0.777 0.746 0.875 0.438 CB 1.048 17 residues pruned to eliminate duplicates Z: 18 17.233 1.616 0.579 0.760 0.941 0.647 CB 1.381 18 residues pruned to eliminate duplicates Z: 16 16.498 1.690 0.529 0.826 0.933 0.467 CB 1.332 16 residues pruned to eliminate duplicates Z: 15 11.606 1.504 0.990 0.760 0.857 0.500 CB 0.959 15 residues pruned to eliminate duplicates Z: 30 14.297 1.607 0.523 0.548 0.828 0.517 CB 1.250 30 residues pruned to eliminate duplicates Z: 12 8.887 1.635 0.362 0.652 0.818 0.545 O 1.277 12 residues pruned to eliminate duplicates Z: 15 16.837 1.640 0.705 0.840 0.929 0.571 CB 1.293 15 residues pruned to eliminate duplicates Z: 12 9.205 1.647 0.314 0.574 0.818 0.545 O 1.459 11 residues pruned to eliminate duplicates Z: 19 25.855 1.641 1.036 0.927 0.944 0.722 CB 1.354 21 residues pruned to eliminate duplicates Z: 24 26.139 1.601 0.826 0.873 1.000 0.739 CB 1.358 24 residues pruned to eliminate duplicates Z: 8 7.303 1.674 0.199 0.644 1.000 0.429 O 1.203 8 residues pruned to eliminate duplicates Z: 8 5.054 1.584 0.227 0.579 0.714 0.286 N 1.275 8 residues pruned to eliminate duplicates Z: 43 18.418 1.697 0.369 0.711 0.952 0.714 CB 1.061 43 residues pruned to eliminate duplicates Z: 6 2.031 1.322 0.250 0.483 0.800 0.600 CB 0.699 6 residues pruned to eliminate duplicates Z: 7 3.313 1.287 0.370 0.587 0.833 0.500 N 0.847 7 residues pruned to eliminate duplicates Z: 44 26.461 1.724 0.518 0.855 0.953 0.837 CB 1.194 44 residues pruned to eliminate duplicates Z: 11 8.507 1.457 0.281 0.865 1.000 0.900 CB 1.056 11 residues pruned to eliminate duplicates Z: 14 10.304 1.468 0.344 0.741 1.000 0.615 CB 1.167 15 residues pruned to eliminate duplicates Z: 23 14.985 1.661 0.234 0.887 0.955 0.818 CB 1.177 23 residues pruned to eliminate duplicates Z: 45 26.652 1.790 0.403 0.815 0.977 0.864 CB 1.245 45 residues pruned to eliminate duplicates Z: 40 26.536 1.760 0.499 0.830 0.949 0.718 CB 1.277 40 residues pruned to eliminate duplicates Z: 36 22.582 1.780 0.376 0.812 0.971 0.800 CB 1.224 36 residues pruned to eliminate duplicates Z: 39 21.838 1.750 0.378 0.797 0.974 0.763 CB 1.163 39 residues pruned to eliminate duplicates Z: 19 16.777 1.735 0.498 0.778 0.944 0.833 CB 1.260 19 residues pruned to eliminate duplicates Z: 24 21.811 1.752 0.545 0.805 1.000 0.783 CB 1.287 24 residues pruned to eliminate duplicates Z: 38 23.061 1.725 0.604 0.758 1.000 0.649 CB 1.089 38 residues pruned to eliminate duplicates Z: 36 22.059 1.775 0.483 0.783 0.971 0.686 CB 1.136 36 residues pruned to eliminate duplicates Z: 35 24.662 1.786 0.483 0.835 1.000 0.765 CB 1.196 35 residues pruned to eliminate duplicates Z: 35 24.817 1.774 0.554 0.839 0.971 0.794 CB 1.188 35 residues pruned to eliminate duplicates Z: 42 25.648 1.779 0.444 0.830 1.000 0.780 CB 1.172 42 residues pruned to eliminate duplicates Z: 44 28.561 1.766 0.642 0.833 0.977 0.698 CB 1.153 44 residues pruned to eliminate duplicates Z: 39 24.429 1.757 0.543 0.822 0.974 0.763 CB 1.135 39 residues pruned to eliminate duplicates Z: 37 21.313 1.762 0.377 0.806 0.944 0.778 CB 1.186 37 residues pruned to eliminate duplicates Z: 39 22.613 1.784 0.501 0.794 0.947 0.842 CB 1.118 39 residues pruned to eliminate duplicates Z: 30 22.513 1.825 0.305 0.819 1.000 0.862 CB 1.331 30 residues pruned to eliminate duplicates Z: 45 24.418 1.785 0.337 0.798 0.977 0.773 CB 1.216 45 residues pruned to eliminate duplicates Z: 35 23.464 1.802 0.599 0.816 0.941 0.735 CB 1.127 35 residues pruned to eliminate duplicates Z: 45 28.084 1.772 0.530 0.822 0.977 0.818 CB 1.209 45 residues pruned to eliminate duplicates Z: 45 22.409 1.771 0.413 0.786 0.932 0.750 CB 1.127 45 residues pruned to eliminate duplicates Z: 45 25.757 1.770 0.559 0.807 0.955 0.705 CB 1.128 45 residues pruned to eliminate duplicates Z: 44 26.525 1.797 0.415 0.828 0.977 0.767 CB 1.226 44 residues pruned to eliminate duplicates Z: 44 28.812 1.802 0.503 0.813 0.977 0.791 CB 1.266 44 residues pruned to eliminate duplicates Z: 40 25.019 1.774 0.604 0.826 0.949 0.795 CB 1.119 40 residues pruned to eliminate duplicates Z: 44 28.894 1.807 0.543 0.846 1.000 0.837 CB 1.174 44 residues pruned to eliminate duplicates Z: 43 28.389 1.817 0.560 0.830 0.976 0.857 CB 1.191 43 residues pruned to eliminate duplicates Z: 42 23.267 1.765 0.508 0.781 0.951 0.732 CB 1.120 42 residues pruned to eliminate duplicates Z: 44 28.400 1.788 0.585 0.823 0.953 0.744 CB 1.212 44 residues pruned to eliminate duplicates Z: 40 23.512 1.792 0.648 0.745 0.923 0.590 CB 1.109 40 residues pruned to eliminate duplicates Z: 44 29.005 1.783 0.642 0.801 0.977 0.698 CB 1.188 44 residues pruned to eliminate duplicates Z: 53 28.522 1.761 0.650 0.759 0.962 0.712 CB 1.125 76 residues pruned to eliminate duplicates Z: 24 21.585 1.666 0.957 0.897 0.913 0.522 CB 1.082 24 residues pruned to eliminate duplicates Z: 42 25.300 1.749 0.677 0.697 0.927 0.707 CB 1.215 42 residues pruned to eliminate duplicates Z: 45 29.778 1.765 0.727 0.832 0.977 0.682 CB 1.131 45 residues pruned to eliminate duplicates Z: 44 23.019 1.776 0.609 0.812 0.907 0.628 CB 1.032 44 residues pruned to eliminate duplicates Z: 17 16.090 1.748 0.871 0.830 1.000 0.625 CB 0.925 17 residues pruned to eliminate duplicates Z: 44 27.926 1.791 0.668 0.828 0.953 0.744 CB 1.126 44 residues pruned to eliminate duplicates Z: 44 26.485 1.802 0.655 0.792 0.930 0.651 CB 1.127 44 residues pruned to eliminate duplicates Z: 44 26.233 1.793 0.601 0.818 0.953 0.628 CB 1.109 44 residues pruned to eliminate duplicates Z: 44 24.090 1.730 0.687 0.733 0.930 0.628 CB 1.098 44 residues pruned to eliminate duplicates Z: 32 20.572 1.725 0.810 0.651 0.903 0.452 CB 1.138 32 residues pruned to eliminate duplicates Z: 62 28.495 1.781 0.587 0.699 0.951 0.639 CB 1.132 62 residues pruned to eliminate duplicates Z: 15 13.272 1.725 0.592 0.577 0.929 0.571 CB 1.291 15 residues pruned to eliminate duplicates Z: 12 17.194 1.852 0.639 0.746 0.909 0.636 CB 1.509 12 residues pruned to eliminate duplicates Z: 15 13.732 1.846 0.533 0.603 0.857 0.571 CB 1.372 15 residues pruned to eliminate duplicates Z: 16 15.272 1.812 0.592 0.566 0.933 0.667 CA 1.374 16 residues pruned to eliminate duplicates Z: 21 16.653 1.640 0.736 0.713 0.900 0.400 CB 1.198 21 residues pruned to eliminate duplicates Z: 12 15.296 1.769 0.667 0.727 0.909 0.727 N 1.402 12 residues pruned to eliminate duplicates Z: 16 23.642 1.741 1.033 0.836 0.867 0.733 N 1.490 16 residues pruned to eliminate duplicates Z: 26 17.511 1.672 0.591 0.691 0.920 0.760 CB 1.202 26 residues pruned to eliminate duplicates Z: 19 23.117 1.750 0.725 0.857 1.000 0.722 CA 1.330 19 residues pruned to eliminate duplicates Z: 21 18.846 1.723 0.833 0.764 0.850 0.650 CB 1.242 21 residues pruned to eliminate duplicates Z: 20 21.028 1.737 0.758 0.780 0.947 0.737 CB 1.302 20 residues pruned to eliminate duplicates Z: 31 24.055 1.667 0.856 0.780 0.967 0.633 CB 1.147 31 residues pruned to eliminate duplicates Z: 29 24.941 1.720 0.782 0.759 0.964 0.679 CB 1.267 29 residues pruned to eliminate duplicates Z: 34 21.400 1.630 0.718 0.769 0.939 0.697 CB 1.116 34 residues pruned to eliminate duplicates Z: 34 21.118 1.634 0.685 0.759 0.970 0.606 CB 1.094 34 residues pruned to eliminate duplicates Z: 26 22.111 1.692 0.803 0.889 0.960 0.760 CB 1.087 26 residues pruned to eliminate duplicates Z: 30 27.121 1.699 0.866 0.881 1.000 0.724 CB 1.151 30 residues pruned to eliminate duplicates Z: 34 27.119 1.697 0.769 0.815 1.000 0.727 CB 1.196 34 residues pruned to eliminate duplicates Z: 25 29.820 1.769 1.005 0.881 1.000 0.667 CB 1.243 25 residues pruned to eliminate duplicates Z: 26 33.953 1.778 0.909 0.942 1.000 0.840 CB 1.387 26 residues pruned to eliminate duplicates Z: 29 19.174 1.680 0.597 0.708 0.929 0.750 CB 1.204 28 residues pruned to eliminate duplicates Z: 26 32.510 1.773 0.942 0.946 1.000 0.800 CB 1.306 26 residues pruned to eliminate duplicates 487 residues left after pruning, divided into chains as follows: A: 28 B: 6 C: 135 D: 70 E: 12 F: 43 G: 45 H: 48 I: 31 J: 69 CC for partial structure against native data = 44.35 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.469, Connect. = 0.728 for dens.mod. cycle 1 = 0.300, Contrast = 0.545, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 0.670, Connect. = 0.793 for dens.mod. cycle 3 = 0.300, Contrast = 0.678, Connect. = 0.795 for dens.mod. cycle 4 = 0.300, Contrast = 0.687, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.688, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.691, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.691, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.691, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.690, Connect. = 0.800 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.02 - 3.97 - 3.46 - 3.14 - 2.91 - 2.74 - 2.60 - 2.49 - 2.39 - 2.31 0.696 0.755 0.714 0.650 0.662 0.642 0.659 0.662 0.613 0.590 0.853 0.893 0.853 0.783 0.804 0.786 0.799 0.809 0.752 0.723 N 3459 3480 3462 3469 3513 3391 3488 3346 3543 3310 Estimated mean FOM = 0.665 Pseudo-free CC = 68.53 % Best trace (cycle 1 with CC 50.64%) was saved as ./2iiu-2.3-parrot-mrncs/2iiu-2.3-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 2.4 - Setup, data input and phasing 15.1 - FFTs and peak-searches 33.6 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 734.6 - Tripeptide search 6560.4 - Chain tracing 0.0 - NCS analysis 37.9 - B-value refinement for trace 0.7 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 22:57:55 Total time: 7385.11 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 123.75 Used memory is bytes: 5671880