null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:52:39 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: ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.ins Phases from ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.phi Native data from ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.hkl Listing output to ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.lst Phases output to ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.phs Poly-Ala trace output to ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 33222 Reflections read from file ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.phi 33222 Reflections read from file ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.hkl 33222 Unique data, highest resolution = 1.833 Angstroms Anisotropic scaling: intensities multiplied by -0.000320h^2 +0.000046k^2 +0.000002l^2 +0.000000kl -0.000314hl +0.000000hk 1040 Reflections with d > 2.033 and 0 in range 2.033 > d > 1.833 added Density sharpening factor set to 1.00 Fourier grid = 64 x 256 x 45 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.651 ** -f missing ?? ** = 0.300, Contrast = 0.296, Connect. = 0.697 for dens.mod. cycle 1 = 0.300, Contrast = 0.366, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.461, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.493, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.513, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.526, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.766 for dens.mod. cycle 7 = 0.300, Contrast = 0.544, Connect. = 0.768 for dens.mod. cycle 8 = 0.300, Contrast = 0.550, Connect. = 0.770 for dens.mod. cycle 9 = 0.300, Contrast = 0.555, Connect. = 0.771 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2118 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 483 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 12.565 1.663 0.760 0.859 0.778 0.556 O 1.354 B: 8 12.250 2.109 0.269 0.846 0.857 0.571 CB 1.500 8 residues pruned to eliminate duplicates C: 11 19.249 1.900 0.653 0.837 1.000 0.600 CB 1.449 10 residues pruned to eliminate duplicates D: 6 13.405 2.227 0.475 0.800 0.800 0.600 CB 1.755 7 residues pruned to eliminate duplicates E: 19 25.722 2.027 0.875 0.868 0.944 0.722 CB 1.235 F: 28 24.327 1.893 0.960 0.632 0.889 0.778 CB 1.254 G: 70 39.914 1.967 0.927 0.578 0.942 0.594 CB 1.248 10 residues pruned to eliminate duplicates H: 9 16.893 1.891 0.783 0.886 0.875 0.750 CB 1.461 9 residues pruned to eliminate duplicates I: 36 29.888 2.137 0.758 0.516 0.971 0.600 CB 1.363 6 residues pruned to eliminate duplicates J: 19 25.158 2.086 0.605 0.899 1.000 0.833 CB 1.266 19 residues pruned to eliminate duplicates K: 15 10.140 1.819 0.871 0.478 0.786 0.643 CB 1.036 L: 18 19.030 1.914 0.538 0.864 0.882 0.706 CB 1.303 M: 6 9.981 1.535 0.733 0.839 1.000 0.800 CA 1.254 6 residues pruned to eliminate duplicates N: 36 19.304 1.842 0.766 0.502 0.857 0.486 CB 1.168 O: 13 21.533 1.991 0.911 0.834 0.917 0.667 CB 1.336 13 residues pruned to eliminate duplicates P: 92 49.955 2.066 0.899 0.588 0.945 0.637 CB 1.298 58 residues pruned to eliminate duplicates Q: 8 6.838 1.834 1.051 0.322 0.714 0.286 CB 1.170 R: 17 24.990 1.950 0.695 0.924 0.938 0.750 CB 1.416 18 residues pruned to eliminate duplicates S: 7 9.234 1.777 0.356 0.791 1.000 0.667 CA 1.212 T: 14 7.095 2.016 0.362 0.318 0.769 0.462 CB 1.139 U: 44 28.265 2.006 0.802 0.498 0.907 0.628 CB 1.317 44 residues pruned to eliminate duplicates V: 56 32.870 2.005 0.750 0.539 0.945 0.509 CB 1.286 56 residues pruned to eliminate duplicates W: 12 25.686 1.970 0.876 0.927 1.000 0.909 CA 1.469 13 residues pruned to eliminate duplicates X: 8 15.021 1.995 0.546 0.766 1.000 0.714 CA 1.453 8 residues pruned to eliminate duplicates Y: 9 17.363 1.858 0.677 0.840 1.000 0.875 CA 1.470 Z: 64 33.874 1.886 0.678 0.700 0.889 0.603 CB 1.264 10 residues pruned to eliminate duplicates Z: 20 16.259 1.973 0.700 0.618 0.947 0.421 CB 1.050 19 residues pruned to eliminate duplicates Z: 13 17.380 1.887 0.724 0.847 0.917 0.750 CB 1.249 13 residues pruned to eliminate duplicates Z: 15 11.761 1.754 0.270 0.847 0.929 0.929 CB 1.128 15 residues pruned to eliminate duplicates Z: 17 15.582 2.000 0.800 0.609 0.875 0.500 CB 1.116 17 residues pruned to eliminate duplicates Z: 13 25.850 2.004 1.196 0.906 1.000 0.917 CA 1.205 13 residues pruned to eliminate duplicates Z: 18 10.684 1.567 0.552 0.835 0.941 0.588 CB 0.848 18 residues pruned to eliminate duplicates Z: 16 16.255 1.862 0.543 0.924 0.933 0.600 CB 1.099 16 residues pruned to eliminate duplicates Z: 13 25.859 1.966 1.275 0.857 1.000 0.667 CA 1.230 13 residues pruned to eliminate duplicates Z: 58 36.586 2.060 0.802 0.560 0.930 0.772 CB 1.325 58 residues pruned to eliminate duplicates Z: 15 17.065 1.963 0.535 0.879 0.929 0.857 CA 1.182 Z: 29 23.847 2.045 0.560 0.565 1.000 0.500 CB 1.326 29 residues pruned to eliminate duplicates Z: 17 27.943 1.955 0.868 0.935 0.938 0.750 CB 1.421 17 residues pruned to eliminate duplicates Z: 21 20.536 1.796 0.749 0.849 0.950 0.500 CB 1.141 6 residues pruned to eliminate duplicates Z: 12 23.901 2.046 0.907 0.918 1.000 0.909 CB 1.302 12 residues pruned to eliminate duplicates Z: 12 14.269 1.832 0.641 0.868 1.000 0.727 CB 1.046 11 residues pruned to eliminate duplicates Z: 14 9.874 1.738 0.225 0.878 1.000 0.769 CA 0.933 14 residues pruned to eliminate duplicates Z: 13 17.660 2.022 0.580 0.909 0.917 0.417 CB 1.235 13 residues pruned to eliminate duplicates Z: 14 27.803 1.976 0.773 0.910 1.000 0.923 CA 1.561 14 residues pruned to eliminate duplicates Z: 19 19.572 1.860 0.418 0.902 1.000 0.833 CB 1.248 19 residues pruned to eliminate duplicates Z: 15 18.341 1.823 0.753 0.894 0.929 0.786 CB 1.185 15 residues pruned to eliminate duplicates Z: 17 16.607 1.817 0.386 0.866 0.938 0.875 CB 1.287 Z: 18 21.866 1.845 0.584 0.899 0.941 0.941 CA 1.379 18 residues pruned to eliminate duplicates Z: 12 19.030 2.096 0.371 0.904 1.000 1.000 CB 1.422 12 residues pruned to eliminate duplicates Z: 19 23.035 1.843 0.686 0.851 0.944 0.833 CA 1.369 19 residues pruned to eliminate duplicates Z: 28 26.903 1.979 0.621 0.708 1.000 0.778 CA 1.336 20 residues pruned to eliminate duplicates Z: 13 27.069 1.947 1.340 0.871 1.000 0.833 CA 1.250 13 residues pruned to eliminate duplicates Z: 15 13.132 1.802 0.215 0.914 1.000 0.714 CB 1.134 15 residues pruned to eliminate duplicates Z: 12 10.533 1.816 0.428 0.899 0.818 0.636 CB 1.070 12 residues pruned to eliminate duplicates Z: 8 14.604 2.021 0.521 0.851 1.000 0.857 CB 1.329 8 residues pruned to eliminate duplicates Z: 20 20.465 1.910 0.577 0.913 0.947 0.842 CB 1.164 20 residues pruned to eliminate duplicates Z: 58 33.883 1.937 0.763 0.542 0.965 0.667 CB 1.308 58 residues pruned to eliminate duplicates Z: 20 23.705 1.997 0.671 0.885 0.947 0.842 CA 1.242 20 residues pruned to eliminate duplicates Z: 123 54.733 1.931 0.814 0.668 0.918 0.639 CB 1.320 120 residues pruned to eliminate duplicates Z: 13 22.855 1.954 0.800 0.909 1.000 0.583 CA 1.332 13 residues pruned to eliminate duplicates Z: 37 28.632 1.983 0.808 0.535 0.972 0.611 CB 1.323 37 residues pruned to eliminate duplicates Z: 9 18.624 1.943 0.719 0.918 1.000 1.000 CB 1.390 9 residues pruned to eliminate duplicates Z: 8 5.237 1.893 0.741 0.602 0.714 0.714 CB 0.763 8 residues pruned to eliminate duplicates Z: 17 32.514 1.965 1.091 0.937 0.938 0.812 CB 1.468 18 residues pruned to eliminate duplicates Z: 28 26.591 1.964 0.826 0.721 0.963 0.630 CB 1.213 28 residues pruned to eliminate duplicates Z: 11 10.356 1.900 0.256 0.874 0.800 0.500 CB 1.248 11 residues pruned to eliminate duplicates Z: 16 8.845 1.781 0.624 0.453 0.867 0.533 CB 0.955 14 residues pruned to eliminate duplicates Z: 14 23.658 2.009 0.739 0.908 1.000 0.846 CB 1.334 14 residues pruned to eliminate duplicates Z: 17 26.115 1.893 0.721 0.931 0.938 0.875 CB 1.494 17 residues pruned to eliminate duplicates Z: 14 15.737 1.823 0.616 0.914 0.923 0.769 CB 1.135 14 residues pruned to eliminate duplicates Z: 19 17.422 1.837 0.437 0.924 0.944 0.722 CB 1.157 19 residues pruned to eliminate duplicates Z: 12 21.788 2.156 0.710 0.892 0.909 0.818 CB 1.408 12 residues pruned to eliminate duplicates Z: 12 24.588 1.902 1.024 0.917 1.000 0.909 CA 1.359 12 residues pruned to eliminate duplicates Z: 15 23.973 2.038 0.794 0.869 1.000 0.786 CA 1.280 15 residues pruned to eliminate duplicates Z: 13 13.916 1.757 0.875 0.850 1.000 0.667 CB 0.903 13 residues pruned to eliminate duplicates Z: 15 34.117 2.002 1.325 0.930 1.000 0.786 CB 1.370 15 residues pruned to eliminate duplicates Z: 12 17.561 1.904 0.686 0.897 0.909 0.818 CB 1.298 12 residues pruned to eliminate duplicates Z: 17 22.016 1.895 0.750 0.903 0.938 0.688 CA 1.262 17 residues pruned to eliminate duplicates Z: 12 20.017 1.978 0.622 0.916 1.000 1.000 CA 1.329 12 residues pruned to eliminate duplicates Z: 17 32.662 1.938 1.015 0.923 1.000 0.938 CB 1.470 17 residues pruned to eliminate duplicates Z: 15 8.810 1.553 0.618 0.460 0.857 0.571 CB 1.139 15 residues pruned to eliminate duplicates Z: 20 20.181 1.853 0.627 0.874 1.000 0.368 CB 1.117 20 residues pruned to eliminate duplicates Z: 20 28.747 1.990 1.340 0.888 0.947 0.632 CB 1.077 19 residues pruned to eliminate duplicates Z: 17 21.721 1.903 0.722 0.911 1.000 0.875 CA 1.174 17 residues pruned to eliminate duplicates Z: 6 8.363 1.678 0.633 0.753 0.800 0.600 CB 1.361 6 residues pruned to eliminate duplicates Z: 15 26.026 2.026 0.993 0.900 0.929 0.857 CA 1.326 14 residues pruned to eliminate duplicates Z: 62 39.944 1.949 0.830 0.711 0.918 0.656 CB 1.290 62 residues pruned to eliminate duplicates Z: 13 22.467 2.028 0.844 0.844 0.917 0.750 CB 1.407 13 residues pruned to eliminate duplicates Z: 8 13.307 1.944 0.602 0.761 1.000 0.714 CB 1.280 8 residues pruned to eliminate duplicates Z: 17 29.743 1.949 0.948 0.929 0.938 0.750 CB 1.462 17 residues pruned to eliminate duplicates Z: 11 13.576 1.974 0.311 0.923 1.000 1.000 CB 1.165 11 residues pruned to eliminate duplicates Z: 17 31.838 1.973 1.182 0.928 0.938 0.688 CB 1.381 17 residues pruned to eliminate duplicates Z: 34 29.216 1.933 0.630 0.754 0.909 0.667 CA 1.416 34 residues pruned to eliminate duplicates Z: 12 31.359 1.998 1.214 0.918 1.000 0.727 CA 1.507 12 residues pruned to eliminate duplicates Z: 17 18.265 1.934 0.299 0.924 1.000 0.812 CB 1.276 18 residues pruned to eliminate duplicates Z: 20 13.224 1.929 0.695 0.483 0.842 0.421 CB 1.121 21 residues pruned to eliminate duplicates Z: 20 21.340 1.781 0.728 0.865 0.947 0.737 CB 1.230 20 residues pruned to eliminate duplicates Z: 49 25.303 1.873 0.684 0.472 0.917 0.542 CB 1.299 49 residues pruned to eliminate duplicates Z: 16 17.671 1.882 0.516 0.938 0.933 0.600 CB 1.192 16 residues pruned to eliminate duplicates Z: 18 17.562 1.807 0.732 0.898 0.941 0.824 CA 1.035 18 residues pruned to eliminate duplicates Z: 38 24.091 1.925 0.614 0.701 0.892 0.757 CB 1.190 31 residues pruned to eliminate duplicates Z: 17 28.211 1.950 0.849 0.906 0.938 0.750 CB 1.483 17 residues pruned to eliminate duplicates Z: 11 11.110 1.902 0.353 0.928 1.000 0.900 CB 0.956 11 residues pruned to eliminate duplicates Z: 21 25.538 1.956 0.906 0.893 0.950 0.650 CB 1.157 21 residues pruned to eliminate duplicates Z: 12 25.796 2.119 0.977 0.935 1.000 0.455 CB 1.294 12 residues pruned to eliminate duplicates Z: 16 15.747 1.883 0.199 0.901 1.000 0.867 CB 1.285 15 residues pruned to eliminate duplicates Z: 18 22.588 1.846 1.063 0.931 0.882 0.471 CB 1.139 18 residues pruned to eliminate duplicates Z: 19 24.209 1.893 0.762 0.931 1.000 0.667 CB 1.195 21 residues pruned to eliminate duplicates Z: 16 34.466 1.987 1.160 0.918 1.000 0.400 CB 1.462 17 residues pruned to eliminate duplicates Z: 11 10.928 1.976 0.669 0.478 0.900 0.700 CB 1.191 11 residues pruned to eliminate duplicates Z: 13 19.697 1.965 0.615 0.914 1.000 0.833 CA 1.268 13 residues pruned to eliminate duplicates Z: 16 13.582 1.726 0.394 0.873 0.933 0.667 CB 1.137 16 residues pruned to eliminate duplicates Z: 11 10.829 1.885 0.339 0.904 1.000 0.900 CB 0.966 11 residues pruned to eliminate duplicates Z: 12 21.545 1.934 0.872 0.929 1.000 1.000 CB 1.255 12 residues pruned to eliminate duplicates Z: 9 9.663 2.026 0.266 0.784 0.750 0.250 CB 1.384 9 residues pruned to eliminate duplicates Z: 6 9.814 2.129 0.220 0.875 1.000 1.000 CB 1.229 6 residues pruned to eliminate duplicates Z: 47 30.192 1.937 0.610 0.730 0.935 0.630 CB 1.241 47 residues pruned to eliminate duplicates Z: 12 19.386 1.814 0.744 0.915 1.000 0.909 CB 1.305 12 residues pruned to eliminate duplicates Z: 12 22.650 2.052 0.560 0.914 1.000 0.909 CB 1.508 12 residues pruned to eliminate duplicates Z: 13 26.252 1.966 1.035 0.892 1.000 0.917 CA 1.360 13 residues pruned to eliminate duplicates Z: 9 12.362 1.778 0.771 0.815 1.000 0.750 CA 1.056 9 residues pruned to eliminate duplicates Z: 13 20.345 1.955 0.731 0.862 0.833 0.667 CA 1.529 18 residues pruned to eliminate duplicates Z: 15 24.100 1.880 0.907 0.860 1.000 0.643 CB 1.321 15 residues pruned to eliminate duplicates Z: 6 5.377 1.712 0.764 0.665 0.800 0.600 CB 0.855 6 residues pruned to eliminate duplicates Z: 12 11.994 1.888 0.528 0.904 1.000 0.818 CB 0.893 12 residues pruned to eliminate duplicates Z: 13 25.502 1.984 0.866 0.933 1.000 1.000 CA 1.387 13 residues pruned to eliminate duplicates Z: 8 2.578 1.533 0.170 0.289 0.571 0.429 C 1.205 8 residues pruned to eliminate duplicates Z: 16 20.710 1.928 0.685 0.886 1.000 0.800 CA 1.188 16 residues pruned to eliminate duplicates Z: 16 25.343 1.943 0.856 0.920 0.933 0.733 CB 1.370 16 residues pruned to eliminate duplicates Z: 23 9.008 1.608 0.547 0.340 0.773 0.455 CB 1.191 22 residues pruned to eliminate duplicates Z: 14 19.764 1.900 0.642 0.805 1.000 0.692 CB 1.346 14 residues pruned to eliminate duplicates Z: 13 16.286 1.862 0.637 0.847 1.000 0.750 CB 1.145 13 residues pruned to eliminate duplicates Z: 21 19.266 1.771 0.510 0.902 1.000 0.850 CB 1.149 21 residues pruned to eliminate duplicates Z: 15 15.137 1.794 0.655 0.895 0.857 0.714 CB 1.140 15 residues pruned to eliminate duplicates Z: 13 13.554 1.806 0.674 0.790 0.833 0.667 CA 1.204 13 residues pruned to eliminate duplicates Z: 47 26.345 1.844 0.581 0.669 0.891 0.609 CB 1.278 47 residues pruned to eliminate duplicates Z: 12 15.925 1.836 0.714 0.871 1.000 0.636 CB 1.113 12 residues pruned to eliminate duplicates Z: 9 7.635 1.504 0.861 0.372 0.875 0.375 C 1.264 9 residues pruned to eliminate duplicates Z: 8 11.103 1.795 0.924 0.799 1.000 0.714 CA 0.936 8 residues pruned to eliminate duplicates Z: 20 23.515 1.906 0.733 0.885 1.000 0.632 CB 1.179 19 residues pruned to eliminate duplicates Z: 20 30.134 2.008 0.839 0.886 1.000 0.789 CA 1.351 20 residues pruned to eliminate duplicates Z: 28 20.517 1.960 0.595 0.572 0.889 0.556 CB 1.326 28 residues pruned to eliminate duplicates Z: 13 2.817 1.595 0.120 0.284 0.667 0.333 CB 0.871 13 residues pruned to eliminate duplicates Z: 16 27.217 1.922 1.173 0.891 0.933 0.800 CA 1.296 15 residues pruned to eliminate duplicates Z: 33 20.082 1.857 0.530 0.647 0.875 0.438 CB 1.244 33 residues pruned to eliminate duplicates Z: 18 14.352 1.625 0.575 0.879 1.000 0.765 CB 0.986 16 residues pruned to eliminate duplicates Z: 13 13.838 2.074 0.856 0.621 0.833 0.500 CB 1.111 13 residues pruned to eliminate duplicates Z: 11 18.018 2.004 0.504 0.925 1.000 0.800 CA 1.326 11 residues pruned to eliminate duplicates Z: 11 11.279 2.094 0.203 0.829 0.900 0.800 CB 1.183 11 residues pruned to eliminate duplicates Z: 12 9.747 1.791 0.079 0.905 1.000 1.000 CA 1.082 12 residues pruned to eliminate duplicates Z: 18 17.519 1.866 0.438 0.863 0.941 0.529 CB 1.234 18 residues pruned to eliminate duplicates Z: 6 8.814 1.861 0.164 0.845 1.000 1.000 CA 1.353 6 residues pruned to eliminate duplicates Z: 12 13.467 1.836 0.418 0.867 0.909 0.818 CB 1.255 12 residues pruned to eliminate duplicates Z: 18 22.928 1.896 0.748 0.872 0.941 0.824 CB 1.299 18 residues pruned to eliminate duplicates Z: 20 19.108 1.879 0.727 0.897 0.895 0.474 CB 1.081 20 residues pruned to eliminate duplicates Z: 20 24.842 1.815 1.149 0.833 0.895 0.684 CB 1.226 18 residues pruned to eliminate duplicates Z: 17 12.900 1.757 0.258 0.838 0.875 0.500 CB 1.246 17 residues pruned to eliminate duplicates Z: 16 16.237 1.865 0.936 0.942 0.933 0.467 CB 0.863 16 residues pruned to eliminate duplicates Z: 11 10.072 1.859 0.037 0.879 1.000 0.700 CB 1.199 11 residues pruned to eliminate duplicates Z: 13 15.741 1.859 0.525 0.884 0.917 0.750 CA 1.263 13 residues pruned to eliminate duplicates Z: 6 8.849 1.642 1.136 0.445 1.000 0.800 CB 1.194 Z: 6 5.787 1.568 0.554 0.562 0.800 0.600 CB 1.251 6 residues pruned to eliminate duplicates Z: 13 19.619 1.896 0.726 0.856 0.917 0.750 CB 1.392 13 residues pruned to eliminate duplicates Z: 70 39.738 2.002 0.898 0.616 0.899 0.551 CB 1.255 70 residues pruned to eliminate duplicates Z: 13 15.205 1.872 0.320 0.847 1.000 0.833 CA 1.319 13 residues pruned to eliminate duplicates Z: 15 17.727 1.832 0.583 0.892 1.000 0.714 CB 1.173 17 residues pruned to eliminate duplicates Z: 57 34.114 1.963 0.651 0.572 0.982 0.679 CB 1.335 57 residues pruned to eliminate duplicates Z: 17 31.675 1.904 1.328 0.902 0.938 0.438 CB 1.360 19 residues pruned to eliminate duplicates Z: 13 14.366 1.864 0.540 0.888 1.000 0.917 CB 1.041 13 residues pruned to eliminate duplicates Z: 18 19.332 1.872 0.451 0.910 0.941 0.706 CB 1.301 18 residues pruned to eliminate duplicates Z: 13 31.679 2.052 1.330 0.906 0.917 0.750 CB 1.483 13 residues pruned to eliminate duplicates Z: 18 31.446 1.909 1.328 0.878 0.941 0.412 CB 1.323 17 residues pruned to eliminate duplicates Z: 18 23.453 1.873 0.748 0.865 0.941 0.706 CB 1.352 18 residues pruned to eliminate duplicates Z: 21 16.470 1.850 0.142 0.883 1.000 0.800 CB 1.261 20 residues pruned to eliminate duplicates Z: 15 21.321 1.899 0.922 0.927 0.929 0.643 CB 1.178 15 residues pruned to eliminate duplicates Z: 13 10.047 2.002 0.189 0.416 1.000 0.833 CB 1.330 13 residues pruned to eliminate duplicates Z: 15 8.787 1.905 0.479 0.416 0.929 0.571 CB 0.980 15 residues pruned to eliminate duplicates Z: 65 39.507 1.883 0.720 0.718 0.922 0.641 CB 1.357 64 residues pruned to eliminate duplicates Z: 13 23.687 1.977 0.890 0.925 1.000 0.833 CA 1.285 13 residues pruned to eliminate duplicates Z: 58 35.836 1.899 0.725 0.770 0.947 0.561 CB 1.205 54 residues pruned to eliminate duplicates Z: 20 25.181 1.971 1.160 0.893 0.947 0.368 CB 1.028 20 residues pruned to eliminate duplicates Z: 16 23.019 1.915 1.160 0.926 0.933 0.400 CB 1.079 16 residues pruned to eliminate duplicates Z: 18 18.355 1.822 0.374 0.887 1.000 0.765 CB 1.282 18 residues pruned to eliminate duplicates Z: 17 19.266 1.906 0.586 0.937 0.938 0.750 CB 1.183 17 residues pruned to eliminate duplicates Z: 40 31.409 2.061 0.810 0.480 0.974 0.538 CB 1.411 40 residues pruned to eliminate duplicates Z: 16 19.593 1.874 0.561 0.808 0.933 0.667 CB 1.417 16 residues pruned to eliminate duplicates Z: 77 42.553 2.024 0.867 0.572 0.961 0.671 CB 1.255 77 residues pruned to eliminate duplicates Z: 17 17.065 1.786 0.535 0.855 0.875 0.688 CB 1.313 17 residues pruned to eliminate duplicates Z: 7 9.449 1.840 0.334 0.890 1.000 0.833 CB 1.130 7 residues pruned to eliminate duplicates Z: 7 8.579 1.649 0.668 0.842 0.833 0.667 CA 1.139 7 residues pruned to eliminate duplicates Z: 18 21.265 1.809 0.669 0.926 1.000 0.824 CA 1.199 18 residues pruned to eliminate duplicates Z: 14 19.694 1.854 0.691 0.853 1.000 0.846 CB 1.288 14 residues pruned to eliminate duplicates Z: 17 15.695 1.887 0.248 0.887 0.938 0.750 CB 1.282 17 residues pruned to eliminate duplicates Z: 19 13.014 1.851 0.204 0.889 0.889 0.833 CB 1.115 19 residues pruned to eliminate duplicates Z: 6 9.472 1.934 0.850 0.537 0.800 0.800 CB 1.427 6 residues pruned to eliminate duplicates Z: 9 7.081 1.801 0.722 0.609 0.875 0.625 CB 0.832 8 residues pruned to eliminate duplicates Z: 32 28.257 2.112 0.715 0.552 1.000 0.677 CB 1.331 32 residues pruned to eliminate duplicates Z: 19 18.351 1.900 0.560 0.895 0.889 0.667 CB 1.177 19 residues pruned to eliminate duplicates Z: 17 21.452 1.851 0.747 0.919 0.938 0.500 CB 1.246 17 residues pruned to eliminate duplicates Z: 17 15.386 1.639 0.570 0.855 1.000 0.750 CB 1.103 17 residues pruned to eliminate duplicates Z: 13 21.830 1.869 0.737 0.891 1.000 0.750 CB 1.395 13 residues pruned to eliminate duplicates Z: 12 16.190 1.786 0.558 0.862 1.000 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 48 31.780 1.925 0.800 0.735 0.915 0.660 CB 1.184 48 residues pruned to eliminate duplicates Z: 11 13.887 1.946 0.723 0.926 1.000 0.700 CB 0.919 11 residues pruned to eliminate duplicates Z: 15 13.665 1.843 0.289 0.789 1.000 0.500 CA 1.193 15 residues pruned to eliminate duplicates Z: 12 17.178 1.747 0.752 0.859 0.909 0.818 CA 1.370 13 residues pruned to eliminate duplicates Z: 12 22.417 1.932 0.979 0.898 1.000 1.000 CA 1.264 12 residues pruned to eliminate duplicates Z: 19 31.288 1.819 1.145 0.935 0.944 0.667 CB 1.395 19 residues pruned to eliminate duplicates Z: 8 2.163 1.467 0.395 0.243 0.714 0.429 CB 0.753 Z: 17 16.379 1.907 0.384 0.885 0.875 0.750 CB 1.280 17 residues pruned to eliminate duplicates Z: 6 7.335 1.580 0.806 0.739 1.000 1.000 CA 0.928 6 residues pruned to eliminate duplicates Z: 13 21.410 2.045 0.866 0.913 0.917 0.667 CB 1.251 13 residues pruned to eliminate duplicates Z: 16 8.428 1.865 0.550 0.349 0.800 0.467 CB 1.108 16 residues pruned to eliminate duplicates Z: 17 25.224 1.944 0.821 0.914 0.938 0.812 CB 1.344 17 residues pruned to eliminate duplicates Z: 36 27.315 1.964 0.740 0.526 0.914 0.629 CB 1.441 36 residues pruned to eliminate duplicates Z: 20 28.671 2.005 0.967 0.779 1.000 0.579 CB 1.304 20 residues pruned to eliminate duplicates Z: 16 16.333 1.911 0.244 0.924 1.000 1.000 CB 1.246 16 residues pruned to eliminate duplicates Z: 12 14.755 1.909 0.719 0.904 1.000 0.818 CB 0.965 12 residues pruned to eliminate duplicates Z: 8 8.706 1.917 0.972 0.600 0.714 0.429 CB 1.108 8 residues pruned to eliminate duplicates Z: 17 16.357 1.866 0.389 0.917 0.938 0.750 CB 1.188 17 residues pruned to eliminate duplicates Z: 14 13.499 1.969 0.667 0.395 1.000 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 39 30.390 2.065 0.882 0.505 0.921 0.711 CB 1.370 39 residues pruned to eliminate duplicates Z: 21 30.339 1.966 1.116 0.915 1.000 0.750 CB 1.153 21 residues pruned to eliminate duplicates Z: 47 22.553 1.927 0.601 0.502 0.891 0.565 CB 1.207 47 residues pruned to eliminate duplicates Z: 17 31.067 1.937 1.177 0.901 1.000 0.750 CA 1.315 17 residues pruned to eliminate duplicates Z: 13 14.596 1.886 0.599 0.845 0.917 0.833 CB 1.133 13 residues pruned to eliminate duplicates Z: 13 19.516 1.896 1.000 0.848 0.917 0.833 CB 1.202 13 residues pruned to eliminate duplicates Z: 17 26.590 1.940 0.820 0.887 0.938 0.750 CB 1.448 17 residues pruned to eliminate duplicates 6 1.392 1.519 0.301 0.488 1.000 0.600 CB 0.319 ? Z: 45 25.392 1.919 0.508 0.506 0.977 0.705 CB 1.346 45 residues pruned to eliminate duplicates Z: 12 8.189 1.617 0.711 0.898 1.000 0.455 CB 0.638 Z: 7 6.491 1.673 0.413 0.871 1.000 0.833 CB 0.818 7 residues pruned to eliminate duplicates Z: 20 20.232 1.887 0.466 0.914 1.000 0.842 CB 1.187 21 residues pruned to eliminate duplicates Z: 45 36.641 1.957 0.750 0.796 0.932 0.614 CB 1.335 45 residues pruned to eliminate duplicates Z: 15 6.778 1.601 0.675 0.640 0.786 0.571 CB 0.754 15 residues pruned to eliminate duplicates Z: 17 16.061 1.903 0.174 0.916 1.000 0.875 CB 1.270 17 residues pruned to eliminate duplicates Z: 20 22.823 1.913 0.579 0.917 1.000 0.737 CB 1.223 20 residues pruned to eliminate duplicates Z: 27 20.868 2.005 0.631 0.604 0.846 0.577 CB 1.340 27 residues pruned to eliminate duplicates Z: 66 39.261 1.876 0.897 0.739 0.908 0.600 CB 1.217 66 residues pruned to eliminate duplicates Z: 18 23.530 1.894 0.969 0.889 0.882 0.588 CB 1.249 18 residues pruned to eliminate duplicates Z: 36 27.786 1.999 0.984 0.512 0.914 0.600 CB 1.279 36 residues pruned to eliminate duplicates Z: 8 5.084 1.792 0.257 0.353 0.857 0.429 CB 1.167 8 residues pruned to eliminate duplicates Z: 17 14.866 1.813 0.264 0.861 0.938 0.750 CB 1.270 17 residues pruned to eliminate duplicates Z: 15 15.252 1.662 0.607 0.858 1.000 0.714 CA 1.124 15 residues pruned to eliminate duplicates Z: 18 25.359 1.823 0.976 0.880 0.941 0.529 CB 1.314 18 residues pruned to eliminate duplicates Z: 16 7.756 1.842 0.372 0.322 0.800 0.467 CB 1.205 16 residues pruned to eliminate duplicates Z: 55 44.805 2.053 1.053 0.571 0.981 0.519 CB 1.377 55 residues pruned to eliminate duplicates Z: 6 4.754 1.693 0.470 0.641 0.800 0.400 CB 0.936 6 residues pruned to eliminate duplicates Z: 60 29.100 2.061 0.506 0.461 0.949 0.593 CB 1.339 60 residues pruned to eliminate duplicates Z: 21 20.748 1.858 0.598 0.889 0.950 0.700 CB 1.184 21 residues pruned to eliminate duplicates Z: 7 7.846 1.814 0.490 0.691 1.000 0.667 CB 0.995 7 residues pruned to eliminate duplicates Z: 11 11.529 1.887 0.444 0.903 1.000 0.900 CB 0.953 11 residues pruned to eliminate duplicates Z: 20 30.878 1.995 1.015 0.894 1.000 0.684 CB 1.264 20 residues pruned to eliminate duplicates Z: 19 25.829 1.847 0.966 0.878 1.000 0.611 CB 1.217 18 residues pruned to eliminate duplicates Z: 20 19.844 1.945 0.454 0.829 0.947 0.842 CB 1.279 20 residues pruned to eliminate duplicates Z: 12 12.703 1.797 0.380 0.875 0.909 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 50 33.024 1.898 0.692 0.715 0.959 0.633 CB 1.260 50 residues pruned to eliminate duplicates Z: 20 30.015 2.001 1.184 0.846 0.947 0.368 CB 1.235 20 residues pruned to eliminate duplicates Z: 6 4.285 1.734 0.116 0.425 0.800 0.600 N 1.339 6 residues pruned to eliminate duplicates Z: 14 8.320 1.834 0.754 0.367 0.846 0.615 CB 0.978 14 residues pruned to eliminate duplicates Z: 13 16.225 1.899 0.781 0.792 0.917 0.583 CB 1.169 13 residues pruned to eliminate duplicates Z: 12 25.756 1.963 1.157 0.875 1.000 0.909 CA 1.334 12 residues pruned to eliminate duplicates Z: 10 14.166 1.897 0.680 0.868 1.000 0.889 CB 1.083 10 residues pruned to eliminate duplicates Z: 10 13.897 1.981 0.827 0.920 1.000 0.667 CB 0.901 10 residues pruned to eliminate duplicates Z: 8 8.827 1.837 0.341 0.535 1.000 0.714 CA 1.309 8 residues pruned to eliminate duplicates Z: 12 14.582 1.851 0.542 0.861 0.909 0.727 CA 1.245 12 residues pruned to eliminate duplicates Z: 17 36.858 1.980 1.196 0.955 1.000 0.750 CB 1.457 17 residues pruned to eliminate duplicates Z: 30 20.420 1.924 0.627 0.577 0.897 0.483 CB 1.254 30 residues pruned to eliminate duplicates Z: 13 24.522 1.983 0.984 0.923 0.917 0.750 CA 1.379 13 residues pruned to eliminate duplicates Z: 17 20.323 1.881 0.429 0.928 1.000 0.688 CB 1.323 17 residues pruned to eliminate duplicates 6 1.619 1.204 0.720 0.330 0.600 0.600 CB 0.702 ? Z: 27 20.364 1.820 0.933 0.592 0.923 0.462 CB 1.126 27 residues pruned to eliminate duplicates Z: 12 7.983 1.582 0.445 0.545 0.909 0.545 C 1.108 12 residues pruned to eliminate duplicates Z: 61 25.561 1.859 0.631 0.451 0.933 0.500 CB 1.226 61 residues pruned to eliminate duplicates Z: 7 3.343 1.441 -0.004 0.647 0.833 0.667 CB 0.995 Z: 13 12.131 1.805 0.458 0.894 0.917 0.750 CB 1.041 13 residues pruned to eliminate duplicates Z: 11 13.823 2.065 0.783 0.498 0.800 0.700 CB 1.487 11 residues pruned to eliminate duplicates Z: 16 19.721 1.868 0.777 0.798 0.933 0.733 CA 1.266 16 residues pruned to eliminate duplicates Z: 25 17.867 1.711 0.909 0.565 0.958 0.875 CB 1.094 25 residues pruned to eliminate duplicates Z: 15 17.819 1.876 0.377 0.934 1.000 0.857 CB 1.286 15 residues pruned to eliminate duplicates Z: 9 5.838 1.683 -0.097 0.577 1.000 0.750 C 1.261 Z: 17 16.095 1.849 0.338 0.875 0.938 0.750 CB 1.261 17 residues pruned to eliminate duplicates Z: 12 27.368 1.995 1.076 0.917 1.000 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 12 22.345 2.006 1.091 0.914 0.909 0.273 CB 1.249 12 residues pruned to eliminate duplicates Z: 22 21.825 1.807 0.777 0.850 0.952 0.286 CB 1.154 22 residues pruned to eliminate duplicates Z: 10 13.261 1.864 0.469 0.827 0.889 0.778 CB 1.368 10 residues pruned to eliminate duplicates Z: 13 11.446 1.529 0.673 0.903 0.917 0.500 CB 1.004 13 residues pruned to eliminate duplicates Z: 17 18.689 1.908 0.664 0.722 0.938 0.500 CA 1.284 17 residues pruned to eliminate duplicates Z: 7 4.723 1.621 0.461 0.846 0.833 0.333 CB 0.726 7 residues pruned to eliminate duplicates Z: 6 4.000 1.645 0.330 0.488 0.800 0.600 CB 1.034 6 residues pruned to eliminate duplicates Z: 6 4.463 1.833 0.748 0.310 1.000 0.600 CB 0.769 6 residues pruned to eliminate duplicates Z: 13 21.879 1.995 1.110 0.887 0.917 0.500 CB 1.181 13 residues pruned to eliminate duplicates Z: 14 17.073 1.888 0.519 0.794 1.000 0.692 CB 1.275 14 residues pruned to eliminate duplicates Z: 8 3.622 1.743 0.648 0.580 1.000 0.571 CB 0.441 8 residues pruned to eliminate duplicates Z: 15 15.391 1.890 0.268 0.729 1.000 0.857 CB 1.396 15 residues pruned to eliminate duplicates Z: 15 18.815 1.818 0.864 0.920 0.929 0.286 CB 1.125 15 residues pruned to eliminate duplicates Z: 19 29.927 2.088 1.008 0.909 0.944 0.778 CB 1.265 20 residues pruned to eliminate duplicates Z: 6 2.032 1.629 0.138 0.398 0.600 0.400 CB 0.909 Z: 11 12.019 1.910 0.350 0.888 0.900 0.700 CB 1.180 11 residues pruned to eliminate duplicates Z: 13 13.345 1.809 0.347 0.881 0.917 0.500 CB 1.248 13 residues pruned to eliminate duplicates Z: 106 44.136 1.886 0.840 0.638 0.886 0.600 CB 1.231 106 residues pruned to eliminate duplicates Z: 11 8.288 1.662 0.514 0.895 0.900 0.900 CB 0.830 11 residues pruned to eliminate duplicates Z: 12 17.578 1.917 0.871 0.848 1.000 0.909 CB 1.096 12 residues pruned to eliminate duplicates Z: 27 23.260 2.019 0.433 0.707 0.962 0.654 CB 1.359 27 residues pruned to eliminate duplicates Z: 19 24.248 1.895 0.791 0.917 1.000 0.444 CB 1.188 19 residues pruned to eliminate duplicates Z: 14 15.504 1.607 0.612 0.912 1.000 0.769 CB 1.176 14 residues pruned to eliminate duplicates Z: 16 20.301 1.893 0.843 0.918 0.933 0.600 CB 1.135 16 residues pruned to eliminate duplicates Z: 14 17.611 1.913 0.719 0.809 0.923 0.923 CB 1.230 14 residues pruned to eliminate duplicates Z: 13 8.846 1.612 0.448 0.885 1.000 0.833 CB 0.790 12 residues pruned to eliminate duplicates Z: 17 21.369 1.882 0.715 0.896 1.000 0.875 CA 1.185 17 residues pruned to eliminate duplicates Z: 16 20.744 1.959 0.631 0.889 0.933 0.733 CA 1.293 16 residues pruned to eliminate duplicates Z: 12 7.328 1.795 0.571 0.348 0.818 0.636 CA 1.129 12 residues pruned to eliminate duplicates Z: 20 19.394 1.862 0.536 0.903 0.947 0.684 CB 1.171 20 residues pruned to eliminate duplicates Z: 12 16.437 1.889 0.615 0.859 1.000 0.727 CB 1.195 12 residues pruned to eliminate duplicates Z: 29 23.532 1.891 0.856 0.675 0.929 0.607 CB 1.162 29 residues pruned to eliminate duplicates Z: 70 34.826 2.017 0.672 0.578 0.957 0.652 CB 1.205 70 residues pruned to eliminate duplicates Z: 11 11.247 1.666 0.792 0.593 0.900 0.600 CB 1.211 11 residues pruned to eliminate duplicates Z: 19 19.913 1.873 0.524 0.881 0.944 0.722 CB 1.261 19 residues pruned to eliminate duplicates Z: 7 11.425 2.112 0.294 0.863 1.000 1.000 CB 1.253 7 residues pruned to eliminate duplicates Z: 7 4.051 1.373 0.709 0.299 0.833 0.500 N 1.059 Z: 11 12.824 1.888 0.723 0.913 0.900 0.600 CB 0.980 11 residues pruned to eliminate duplicates Z: 13 22.191 1.956 0.951 0.860 1.000 0.917 CA 1.234 13 residues pruned to eliminate duplicates Z: 19 25.756 1.870 1.099 0.876 0.889 0.722 CB 1.265 19 residues pruned to eliminate duplicates Z: 16 13.621 1.725 0.795 0.855 0.933 0.400 CB 0.898 16 residues pruned to eliminate duplicates Z: 17 16.971 1.865 0.818 0.940 0.875 0.312 CB 0.993 17 residues pruned to eliminate duplicates Z: 6 7.154 1.972 0.587 0.424 0.800 0.400 CB 1.383 8 residues pruned to eliminate duplicates Z: 11 11.510 1.907 0.925 0.317 0.900 0.600 CB 1.349 11 residues pruned to eliminate duplicates Z: 12 23.488 2.114 1.053 0.880 0.909 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 9 9.308 1.884 0.331 0.405 1.000 0.750 CA 1.452 9 residues pruned to eliminate duplicates Z: 12 19.219 1.874 0.965 0.920 0.909 0.909 CB 1.219 12 residues pruned to eliminate duplicates Z: 15 17.944 1.847 0.673 0.802 1.000 0.500 CA 1.192 15 residues pruned to eliminate duplicates Z: 11 12.070 1.905 0.606 0.834 0.800 0.600 CB 1.169 11 residues pruned to eliminate duplicates Z: 29 22.123 1.969 0.725 0.520 0.964 0.464 CB 1.251 29 residues pruned to eliminate duplicates Z: 32 25.314 1.952 0.734 0.637 0.968 0.710 CB 1.221 32 residues pruned to eliminate duplicates Z: 13 24.271 1.981 0.885 0.912 1.000 0.583 CA 1.329 13 residues pruned to eliminate duplicates Z: 26 23.013 2.043 0.470 0.734 0.920 0.840 CB 1.350 26 residues pruned to eliminate duplicates Z: 46 29.376 1.898 0.759 0.672 0.911 0.711 CB 1.228 46 residues pruned to eliminate duplicates Z: 17 11.398 1.804 0.403 0.638 0.875 0.500 CB 1.130 17 residues pruned to eliminate duplicates Z: 20 25.807 1.887 1.227 0.629 0.947 0.684 CB 1.317 20 residues pruned to eliminate duplicates Z: 6 3.414 1.665 -0.242 0.420 1.000 0.600 C 1.315 Z: 33 26.560 1.935 0.760 0.572 0.969 0.500 CB 1.327 32 residues pruned to eliminate duplicates Z: 11 10.595 1.821 0.374 0.796 0.800 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 17 21.471 1.824 0.857 0.886 0.938 0.500 CB 1.220 17 residues pruned to eliminate duplicates Z: 19 20.649 1.875 0.573 0.867 0.944 0.667 CA 1.278 19 residues pruned to eliminate duplicates Z: 9 12.523 1.960 0.347 0.738 1.000 0.625 CA 1.354 9 residues pruned to eliminate duplicates Z: 18 18.132 1.680 0.691 0.900 0.941 0.529 CA 1.175 16 residues pruned to eliminate duplicates Z: 16 27.393 1.951 0.882 0.924 1.000 0.867 CB 1.353 16 residues pruned to eliminate duplicates Z: 30 35.038 2.107 1.091 0.565 0.966 0.586 CB 1.436 30 residues pruned to eliminate duplicates Z: 12 4.497 1.402 0.232 0.434 0.727 0.455 C 1.156 Z: 19 34.883 1.983 1.201 0.831 0.944 0.667 CB 1.498 19 residues pruned to eliminate duplicates Z: 8 20.920 1.960 1.061 0.820 1.000 0.714 CA 1.483 8 residues pruned to eliminate duplicates Z: 11 8.095 1.969 -0.084 0.885 1.000 0.900 CA 1.024 11 residues pruned to eliminate duplicates Z: 11 17.466 1.836 1.082 0.880 1.000 0.700 CB 1.047 11 residues pruned to eliminate duplicates Z: 74 35.565 2.001 0.625 0.561 0.945 0.658 CB 1.277 74 residues pruned to eliminate duplicates Z: 13 11.268 1.623 0.374 0.879 0.917 0.833 CB 1.154 13 residues pruned to eliminate duplicates Z: 6 7.204 1.849 0.201 0.781 1.000 0.800 CA 1.133 6 residues pruned to eliminate duplicates Z: 15 7.663 1.753 0.611 0.297 0.857 0.571 CB 1.062 15 residues pruned to eliminate duplicates Z: 47 36.744 1.890 0.714 0.803 0.935 0.609 CB 1.373 47 residues pruned to eliminate duplicates Z: 8 2.927 1.459 0.147 0.380 0.714 0.286 C 1.052 Z: 11 24.509 1.830 1.253 0.886 1.000 0.900 CB 1.356 11 residues pruned to eliminate duplicates Z: 35 25.326 2.123 0.585 0.510 0.971 0.794 CB 1.316 35 residues pruned to eliminate duplicates Z: 15 3.567 1.577 0.736 0.233 0.643 0.500 CB 0.739 15 residues pruned to eliminate duplicates Z: 36 18.005 1.774 0.740 0.501 0.829 0.543 CB 1.189 52 residues pruned to eliminate duplicates Z: 56 34.242 1.874 0.676 0.761 0.927 0.618 CB 1.257 56 residues pruned to eliminate duplicates Z: 12 4.901 1.567 0.622 0.289 0.727 0.364 CB 1.014 12 residues pruned to eliminate duplicates Z: 58 40.545 2.031 0.858 0.588 0.965 0.667 CB 1.356 58 residues pruned to eliminate duplicates Z: 8 4.683 1.613 0.794 0.341 0.857 0.571 CA 0.848 8 residues pruned to eliminate duplicates 408 residues left after pruning, divided into chains as follows: A: 138 B: 21 C: 130 D: 27 E: 13 F: 6 G: 33 H: 40 CC for partial structure against native data = 42.31 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.371, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.424, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.519, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.530, Connect. = 0.767 for dens.mod. cycle 4 = 0.300, Contrast = 0.543, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.564, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.569, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.572, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2218 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 499 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 32.861 2.081 0.796 0.904 1.000 0.650 CA 1.400 B: 36 35.856 2.234 0.860 0.533 0.971 0.571 CB 1.453 C: 42 34.226 2.046 0.848 0.533 0.878 0.512 CB 1.558 D: 13 21.688 2.189 0.362 0.926 1.000 1.000 CA 1.473 13 residues pruned to eliminate duplicates E: 58 41.654 2.146 0.771 0.594 0.947 0.649 CB 1.400 36 residues pruned to eliminate duplicates F: 14 22.073 2.085 0.580 0.858 1.000 0.846 CA 1.368 14 residues pruned to eliminate duplicates G: 59 39.210 2.125 0.748 0.555 0.931 0.621 CB 1.411 59 residues pruned to eliminate duplicates H: 14 21.931 1.993 0.580 0.814 1.000 0.692 CA 1.470 I: 17 20.829 1.833 0.603 0.918 1.000 0.812 CB 1.250 J: 9 13.640 1.880 0.588 0.795 0.875 0.375 CB 1.426 K: 8 9.479 2.079 0.015 0.776 1.000 0.429 CA 1.330 8 residues pruned to eliminate duplicates L: 20 35.142 2.224 0.838 0.897 0.947 0.737 CA 1.490 21 residues pruned to eliminate duplicates M: 17 31.354 2.120 0.926 0.913 1.000 0.812 CA 1.359 N: 16 25.200 1.963 0.632 0.932 1.000 0.667 CB 1.418 O: 17 26.221 2.085 0.858 0.877 1.000 0.812 CA 1.229 17 residues pruned to eliminate duplicates P: 59 46.034 2.147 0.847 0.577 0.983 0.638 CB 1.440 58 residues pruned to eliminate duplicates Q: 54 33.175 2.056 0.590 0.510 0.943 0.528 CB 1.463 46 residues pruned to eliminate duplicates R: 6 9.292 2.276 -0.211 0.864 1.000 0.600 CB 1.695 6 residues pruned to eliminate duplicates S: 119 51.566 2.080 0.625 0.622 0.907 0.593 CB 1.380 59 residues pruned to eliminate duplicates T: 17 23.788 1.974 0.474 0.928 1.000 0.938 CB 1.432 16 residues pruned to eliminate duplicates U: 17 23.022 2.022 0.558 0.869 0.938 0.812 CB 1.424 V: 17 21.749 2.064 0.681 0.910 0.938 0.938 CA 1.186 17 residues pruned to eliminate duplicates W: 18 24.044 1.946 0.527 0.912 1.000 0.824 CB 1.390 17 residues pruned to eliminate duplicates X: 13 16.325 2.091 0.242 0.850 0.917 0.583 CB 1.467 13 residues pruned to eliminate duplicates Y: 21 17.146 1.874 0.147 0.879 1.000 0.800 CA 1.294 Z: 13 20.707 2.120 0.513 0.916 1.000 0.833 CB 1.316 13 residues pruned to eliminate duplicates Z: 20 38.065 2.238 0.812 0.877 1.000 0.526 CA 1.564 20 residues pruned to eliminate duplicates Z: 12 23.264 2.139 0.721 0.898 0.909 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 22 25.000 1.886 0.748 0.799 0.952 0.429 CB 1.337 21 residues pruned to eliminate duplicates Z: 13 18.550 1.968 0.457 0.867 1.000 0.833 CB 1.366 14 residues pruned to eliminate duplicates Z: 18 12.601 1.994 0.457 0.284 0.941 0.529 CB 1.426 Z: 20 21.671 1.874 0.432 0.876 1.000 0.789 CA 1.347 20 residues pruned to eliminate duplicates Z: 8 7.442 1.967 0.959 0.384 0.571 0.429 CA 1.444 Z: 16 23.146 1.984 0.396 0.936 1.000 0.733 CB 1.503 16 residues pruned to eliminate duplicates Z: 13 28.830 2.068 0.869 0.900 1.000 0.833 CA 1.539 13 residues pruned to eliminate duplicates Z: 14 15.535 1.930 0.185 0.823 0.923 0.846 CB 1.542 14 residues pruned to eliminate duplicates Z: 16 21.337 1.964 0.402 0.918 0.933 0.600 CB 1.512 16 residues pruned to eliminate duplicates Z: 21 23.104 1.895 0.625 0.867 0.950 0.600 CB 1.291 21 residues pruned to eliminate duplicates Z: 9 13.403 1.995 0.331 0.824 1.000 0.625 CB 1.348 Z: 20 30.415 2.200 0.695 0.899 0.895 0.579 CB 1.494 20 residues pruned to eliminate duplicates Z: 18 26.186 1.951 0.682 0.896 0.941 0.706 CB 1.473 18 residues pruned to eliminate duplicates Z: 17 32.877 2.059 0.952 0.950 1.000 0.875 CB 1.410 18 residues pruned to eliminate duplicates Z: 13 22.884 2.169 0.760 0.834 0.917 0.750 CB 1.415 13 residues pruned to eliminate duplicates Z: 17 15.802 1.763 0.335 0.890 1.000 0.812 CA 1.208 17 residues pruned to eliminate duplicates Z: 8 11.280 2.111 0.256 0.853 1.000 0.857 CB 1.188 8 residues pruned to eliminate duplicates Z: 54 27.895 2.041 0.526 0.497 0.906 0.509 CB 1.362 54 residues pruned to eliminate duplicates Z: 58 39.728 2.143 0.714 0.568 0.947 0.667 CB 1.415 58 residues pruned to eliminate duplicates Z: 21 30.095 2.155 0.643 0.905 0.950 0.750 CB 1.424 21 residues pruned to eliminate duplicates Z: 20 23.127 1.969 0.548 0.916 0.947 0.632 CB 1.297 20 residues pruned to eliminate duplicates Z: 18 29.779 2.019 0.784 0.876 0.941 0.706 CA 1.549 Z: 27 31.250 2.221 0.421 0.737 1.000 0.731 CA 1.569 20 residues pruned to eliminate duplicates Z: 20 25.224 2.151 0.455 0.874 0.947 0.632 CA 1.420 20 residues pruned to eliminate duplicates Z: 12 22.335 1.954 0.772 0.889 1.000 0.636 CB 1.401 12 residues pruned to eliminate duplicates Z: 13 29.044 2.101 0.804 0.915 1.000 0.583 CA 1.563 13 residues pruned to eliminate duplicates Z: 19 19.119 1.998 0.338 0.890 0.944 0.611 CB 1.284 23 residues pruned to eliminate duplicates Z: 13 22.943 1.988 0.696 0.894 1.000 0.917 CB 1.409 12 residues pruned to eliminate duplicates Z: 14 20.107 1.871 0.782 0.876 0.923 0.692 CB 1.317 14 residues pruned to eliminate duplicates Z: 45 27.772 2.044 0.552 0.516 0.886 0.591 CB 1.466 45 residues pruned to eliminate duplicates Z: 33 26.201 2.036 0.764 0.556 0.938 0.531 CB 1.302 33 residues pruned to eliminate duplicates Z: 18 28.710 1.998 0.659 0.930 1.000 0.941 CA 1.469 18 residues pruned to eliminate duplicates Z: 13 30.557 2.107 0.822 0.926 1.000 0.917 CA 1.611 13 residues pruned to eliminate duplicates Z: 14 18.909 1.994 0.699 0.882 1.000 0.769 CA 1.120 14 residues pruned to eliminate duplicates Z: 82 40.831 2.047 0.654 0.523 0.914 0.617 CB 1.434 82 residues pruned to eliminate duplicates Z: 7 7.341 1.766 0.241 0.686 1.000 0.667 CB 1.153 7 residues pruned to eliminate duplicates Z: 13 17.843 1.995 0.777 0.797 0.917 0.583 CB 1.222 13 residues pruned to eliminate duplicates Z: 13 18.365 1.983 0.311 0.886 1.000 0.750 CA 1.471 13 residues pruned to eliminate duplicates Z: 35 27.543 1.973 0.441 0.704 0.971 0.735 CA 1.422 32 residues pruned to eliminate duplicates Z: 6 6.453 1.986 0.744 0.431 0.600 0.400 CB 1.492 Z: 13 27.501 2.014 1.087 0.898 1.000 0.917 CA 1.351 13 residues pruned to eliminate duplicates Z: 10 12.049 1.917 0.220 0.877 0.889 0.778 CA 1.403 9 residues pruned to eliminate duplicates Z: 12 16.444 2.039 0.253 0.911 1.000 1.000 CB 1.376 12 residues pruned to eliminate duplicates Z: 123 56.396 2.079 0.581 0.666 0.926 0.689 CB 1.438 123 residues pruned to eliminate duplicates Z: 12 15.039 1.911 0.244 0.864 1.000 0.909 CA 1.399 12 residues pruned to eliminate duplicates Z: 20 23.749 2.036 0.672 0.822 0.895 0.579 CB 1.353 20 residues pruned to eliminate duplicates Z: 19 21.580 1.987 0.324 0.915 1.000 0.722 CA 1.367 19 residues pruned to eliminate duplicates Z: 14 25.579 1.966 1.071 0.909 0.923 0.846 CB 1.339 14 residues pruned to eliminate duplicates Z: 19 34.440 2.238 1.111 0.899 0.889 0.500 CB 1.382 19 residues pruned to eliminate duplicates Z: 13 25.819 2.054 0.911 0.863 1.000 0.667 CB 1.393 14 residues pruned to eliminate duplicates Z: 21 24.043 1.914 0.585 0.885 0.950 0.650 CB 1.347 21 residues pruned to eliminate duplicates Z: 10 13.921 2.110 0.509 0.884 0.778 0.667 CB 1.353 10 residues pruned to eliminate duplicates Z: 14 17.146 2.022 0.343 0.934 0.923 0.615 CB 1.324 14 residues pruned to eliminate duplicates Z: 13 23.786 2.108 0.771 0.846 0.917 0.583 CA 1.491 13 residues pruned to eliminate duplicates Z: 16 13.691 1.899 0.962 0.477 0.733 0.600 CB 1.324 13 residues pruned to eliminate duplicates Z: 69 35.127 2.013 0.529 0.662 0.897 0.618 CB 1.328 69 residues pruned to eliminate duplicates Z: 17 29.392 2.063 0.762 0.915 0.938 0.688 CA 1.523 17 residues pruned to eliminate duplicates Z: 31 16.152 1.933 0.633 0.509 0.900 0.600 CB 1.029 31 residues pruned to eliminate duplicates Z: 13 21.227 2.083 0.871 0.784 0.917 0.750 CB 1.337 13 residues pruned to eliminate duplicates Z: 10 8.675 1.916 0.128 0.809 0.889 0.556 CB 1.150 8 residues pruned to eliminate duplicates Z: 63 39.239 2.067 0.638 0.550 0.919 0.597 CB 1.525 63 residues pruned to eliminate duplicates Z: 13 15.610 2.072 0.277 0.842 0.917 0.833 CA 1.384 13 residues pruned to eliminate duplicates Z: 14 17.478 1.934 0.509 0.741 0.923 0.692 CB 1.450 14 residues pruned to eliminate duplicates Z: 58 41.011 2.078 0.752 0.582 0.930 0.596 CB 1.483 58 residues pruned to eliminate duplicates Z: 18 29.913 1.976 0.816 0.842 0.941 0.588 CA 1.601 18 residues pruned to eliminate duplicates Z: 18 30.481 2.012 0.845 0.888 0.941 0.706 CA 1.524 19 residues pruned to eliminate duplicates Z: 13 22.929 2.116 0.742 0.926 0.917 0.833 CA 1.374 13 residues pruned to eliminate duplicates Z: 13 20.145 1.977 0.642 0.907 1.000 0.833 CB 1.273 13 residues pruned to eliminate duplicates Z: 18 28.178 1.999 1.062 0.853 0.882 0.529 CB 1.388 19 residues pruned to eliminate duplicates Z: 13 28.834 2.120 0.845 0.917 1.000 0.750 CB 1.502 20 residues pruned to eliminate duplicates Z: 17 17.735 2.072 0.339 0.892 0.875 0.812 CA 1.312 17 residues pruned to eliminate duplicates Z: 18 27.347 1.992 0.698 0.910 1.000 0.588 CB 1.390 17 residues pruned to eliminate duplicates Z: 6 9.523 1.930 0.083 0.877 1.000 1.000 N 1.479 6 residues pruned to eliminate duplicates Z: 18 12.085 2.008 0.533 0.376 0.824 0.588 CB 1.320 19 residues pruned to eliminate duplicates Z: 15 21.876 2.278 0.435 0.878 0.857 0.714 CA 1.514 15 residues pruned to eliminate duplicates Z: 21 27.183 2.098 0.445 0.920 1.000 0.900 CA 1.413 21 residues pruned to eliminate duplicates Z: 15 13.552 2.022 0.404 0.421 0.929 0.571 CB 1.492 15 residues pruned to eliminate duplicates Z: 48 35.281 2.039 0.783 0.635 0.915 0.660 CB 1.363 49 residues pruned to eliminate duplicates Z: 15 23.941 2.146 0.854 0.833 0.857 0.571 CA 1.407 15 residues pruned to eliminate duplicates Z: 83 46.530 2.171 0.666 0.536 0.951 0.646 CB 1.442 83 residues pruned to eliminate duplicates Z: 17 29.052 2.014 0.770 0.911 0.938 0.625 CA 1.541 17 residues pruned to eliminate duplicates Z: 20 35.937 2.240 0.668 0.926 1.000 0.737 CA 1.547 20 residues pruned to eliminate duplicates Z: 12 22.293 2.029 0.566 0.896 1.000 0.818 CA 1.515 12 residues pruned to eliminate duplicates Z: 17 26.422 2.039 0.998 0.874 0.938 0.812 CA 1.258 17 residues pruned to eliminate duplicates Z: 11 13.623 2.066 0.411 0.551 0.900 0.700 CB 1.563 11 residues pruned to eliminate duplicates Z: 18 30.116 1.985 0.911 0.926 0.941 0.706 CB 1.434 18 residues pruned to eliminate duplicates Z: 18 26.608 2.006 0.689 0.859 0.941 0.471 CA 1.489 18 residues pruned to eliminate duplicates Z: 17 23.113 2.058 0.786 0.932 0.938 0.688 CB 1.171 17 residues pruned to eliminate duplicates Z: 21 38.639 2.133 1.026 0.904 1.000 0.550 CB 1.424 20 residues pruned to eliminate duplicates Z: 17 26.157 1.988 0.583 0.921 1.000 0.438 CB 1.462 18 residues pruned to eliminate duplicates Z: 12 11.254 1.748 0.208 0.924 1.000 0.727 CB 1.128 12 residues pruned to eliminate duplicates Z: 21 46.168 2.193 1.189 0.899 1.000 0.600 CA 1.537 21 residues pruned to eliminate duplicates Z: 18 32.248 1.999 0.875 0.939 1.000 0.824 CB 1.450 18 residues pruned to eliminate duplicates Z: 17 32.035 2.070 0.993 0.922 1.000 0.875 CB 1.365 18 residues pruned to eliminate duplicates Z: 32 31.612 2.145 0.802 0.602 0.935 0.742 CB 1.425 33 residues pruned to eliminate duplicates Z: 13 23.367 2.089 0.480 0.908 1.000 0.917 CA 1.549 13 residues pruned to eliminate duplicates Z: 37 24.292 2.032 0.602 0.520 0.917 0.583 CB 1.330 37 residues pruned to eliminate duplicates Z: 21 33.271 2.157 0.688 0.910 1.000 0.800 CA 1.449 21 residues pruned to eliminate duplicates Z: 13 27.429 2.071 0.764 0.906 1.000 0.833 CA 1.541 13 residues pruned to eliminate duplicates Z: 13 26.785 2.045 0.695 0.925 1.000 0.917 CA 1.566 13 residues pruned to eliminate duplicates Z: 123 47.700 2.055 0.663 0.564 0.885 0.549 CB 1.341 114 residues pruned to eliminate duplicates Z: 13 23.893 2.039 0.854 0.876 1.000 0.833 CB 1.325 13 residues pruned to eliminate duplicates Z: 12 24.387 2.092 0.540 0.924 1.000 1.000 CB 1.603 12 residues pruned to eliminate duplicates Z: 13 18.772 1.931 0.475 0.862 1.000 0.667 CA 1.396 13 residues pruned to eliminate duplicates Z: 73 37.046 2.049 0.640 0.538 0.917 0.611 CB 1.366 73 residues pruned to eliminate duplicates Z: 12 19.231 2.103 0.390 0.890 1.000 0.909 CB 1.426 12 residues pruned to eliminate duplicates Z: 10 10.437 2.026 0.649 0.440 0.889 0.556 CB 1.246 Z: 28 19.077 1.978 0.639 0.526 0.778 0.333 CA 1.420 28 residues pruned to eliminate duplicates Z: 17 14.677 1.895 0.330 0.861 0.875 0.812 CB 1.222 17 residues pruned to eliminate duplicates Z: 18 17.069 1.946 0.310 0.930 0.824 0.529 CB 1.379 18 residues pruned to eliminate duplicates Z: 13 23.533 1.976 0.721 0.868 1.000 0.833 CB 1.460 13 residues pruned to eliminate duplicates Z: 13 15.242 1.781 0.422 0.923 1.000 0.750 CA 1.221 13 residues pruned to eliminate duplicates Z: 11 20.959 2.113 0.444 0.856 1.000 0.700 CB 1.601 11 residues pruned to eliminate duplicates Z: 18 19.277 1.965 0.850 0.890 0.824 0.588 CB 1.124 18 residues pruned to eliminate duplicates Z: 7 12.028 2.189 1.256 0.532 0.833 0.500 CB 1.156 5 residues pruned to eliminate duplicates Z: 28 34.051 2.182 0.633 0.721 0.963 0.852 CA 1.564 28 residues pruned to eliminate duplicates Z: 18 27.289 1.989 0.799 0.845 0.941 0.647 CA 1.461 18 residues pruned to eliminate duplicates Z: 9 3.867 1.404 0.412 0.388 0.750 0.500 CB 1.036 Z: 79 50.712 2.082 0.650 0.744 0.936 0.692 CB 1.436 79 residues pruned to eliminate duplicates Z: 18 18.958 2.032 0.405 0.886 0.882 0.529 CB 1.316 18 residues pruned to eliminate duplicates Z: 13 25.528 2.064 0.578 0.889 1.000 0.917 CA 1.629 13 residues pruned to eliminate duplicates Z: 27 38.088 2.226 0.768 0.732 0.962 0.808 CA 1.601 27 residues pruned to eliminate duplicates Z: 28 37.219 2.189 0.837 0.733 0.926 0.741 CA 1.560 28 residues pruned to eliminate duplicates Z: 17 19.229 1.931 0.237 0.925 1.000 0.750 CB 1.412 17 residues pruned to eliminate duplicates Z: 21 37.665 2.126 0.911 0.906 1.000 0.600 CB 1.475 21 residues pruned to eliminate duplicates Z: 54 34.087 2.091 0.645 0.570 0.887 0.604 CB 1.435 54 residues pruned to eliminate duplicates Z: 17 27.911 2.055 0.690 0.917 0.938 0.750 CA 1.512 17 residues pruned to eliminate duplicates Z: 41 30.205 2.085 0.424 0.774 0.925 0.575 CB 1.365 41 residues pruned to eliminate duplicates Z: 13 17.184 1.941 0.643 0.871 0.917 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 7 9.534 2.196 0.271 0.852 0.667 0.667 CB 1.547 7 residues pruned to eliminate duplicates Z: 12 20.179 2.061 0.433 0.873 1.000 0.727 CA 1.500 12 residues pruned to eliminate duplicates Z: 12 22.382 2.029 0.690 0.933 1.000 0.636 CB 1.374 12 residues pruned to eliminate duplicates Z: 15 20.121 1.939 0.407 0.923 1.000 0.643 CB 1.385 15 residues pruned to eliminate duplicates Z: 11 14.407 2.021 0.232 0.901 1.000 0.800 CB 1.306 11 residues pruned to eliminate duplicates Z: 19 25.920 1.988 0.684 0.945 0.944 0.500 CB 1.337 19 residues pruned to eliminate duplicates Z: 16 15.492 1.979 0.039 0.912 0.933 0.800 CB 1.475 16 residues pruned to eliminate duplicates Z: 14 19.938 1.970 0.679 0.831 0.923 0.538 CA 1.361 14 residues pruned to eliminate duplicates Z: 14 20.795 2.024 0.751 0.789 1.000 0.308 CB 1.263 14 residues pruned to eliminate duplicates Z: 6 12.092 1.708 1.114 0.757 1.000 0.800 CA 1.192 6 residues pruned to eliminate duplicates Z: 20 27.018 1.987 0.810 0.921 0.947 0.684 CB 1.280 21 residues pruned to eliminate duplicates Z: 13 20.543 1.999 0.829 0.879 1.000 0.583 CB 1.176 13 residues pruned to eliminate duplicates Z: 47 35.809 2.100 0.555 0.761 0.957 0.696 CB 1.341 47 residues pruned to eliminate duplicates Z: 21 20.225 1.832 0.351 0.877 0.950 0.800 CB 1.398 21 residues pruned to eliminate duplicates Z: 21 29.478 2.096 0.711 0.865 0.900 0.650 CA 1.495 21 residues pruned to eliminate duplicates Z: 18 19.484 1.755 0.527 0.927 1.000 0.588 CB 1.236 18 residues pruned to eliminate duplicates Z: 21 34.408 2.155 0.813 0.920 0.950 0.900 CA 1.460 21 residues pruned to eliminate duplicates Z: 17 30.043 2.098 0.937 0.920 1.000 0.938 CB 1.301 17 residues pruned to eliminate duplicates Z: 31 25.020 1.947 0.501 0.673 1.000 0.567 CA 1.334 31 residues pruned to eliminate duplicates Z: 60 39.623 2.021 0.638 0.737 0.898 0.542 CB 1.402 60 residues pruned to eliminate duplicates Z: 21 20.213 1.844 0.400 0.914 0.950 0.800 CA 1.304 21 residues pruned to eliminate duplicates Z: 18 28.769 1.994 0.842 0.854 0.941 0.647 CA 1.491 18 residues pruned to eliminate duplicates Z: 18 26.217 1.971 0.834 0.893 0.882 0.647 CB 1.432 18 residues pruned to eliminate duplicates Z: 7 8.336 1.982 0.641 0.366 1.000 0.667 CB 1.208 7 residues pruned to eliminate duplicates Z: 14 18.911 2.169 0.823 0.638 0.923 0.538 CB 1.263 14 residues pruned to eliminate duplicates Z: 17 26.955 1.968 0.607 0.918 1.000 0.688 CB 1.503 17 residues pruned to eliminate duplicates Z: 7 5.166 1.780 0.414 0.548 0.833 0.500 CA 0.960 7 residues pruned to eliminate duplicates Z: 18 33.783 1.938 1.099 0.923 1.000 0.588 CB 1.416 19 residues pruned to eliminate duplicates Z: 11 12.565 2.000 0.253 0.883 0.900 0.500 CB 1.274 11 residues pruned to eliminate duplicates Z: 8 10.595 2.105 0.160 0.780 1.000 0.714 CB 1.281 8 residues pruned to eliminate duplicates Z: 21 22.694 1.932 0.715 0.856 0.900 0.450 CB 1.255 21 residues pruned to eliminate duplicates Z: 18 25.739 2.022 0.779 0.936 0.941 0.471 CB 1.284 18 residues pruned to eliminate duplicates Z: 8 9.670 1.927 0.113 0.837 1.000 1.000 CB 1.274 8 residues pruned to eliminate duplicates Z: 7 13.615 1.927 0.983 0.845 1.000 0.500 CB 1.082 7 residues pruned to eliminate duplicates Z: 58 43.023 2.155 0.710 0.577 0.965 0.702 CB 1.488 58 residues pruned to eliminate duplicates Z: 12 18.667 2.049 0.367 0.836 1.000 0.727 CB 1.505 12 residues pruned to eliminate duplicates Z: 17 16.541 1.927 0.138 0.920 0.938 0.688 CB 1.416 17 residues pruned to eliminate duplicates Z: 66 42.239 2.066 0.697 0.571 0.938 0.677 CB 1.487 66 residues pruned to eliminate duplicates Z: 19 34.537 2.242 1.034 0.880 0.889 0.667 CB 1.455 19 residues pruned to eliminate duplicates Z: 17 29.264 1.979 0.919 0.882 0.938 0.750 CA 1.486 17 residues pruned to eliminate duplicates Z: 16 15.483 1.929 0.063 0.921 1.000 0.800 CB 1.372 15 residues pruned to eliminate duplicates Z: 66 42.089 2.040 0.633 0.727 0.938 0.462 CB 1.361 66 residues pruned to eliminate duplicates Z: 6 4.931 1.850 0.259 0.383 0.800 0.800 N 1.340 6 residues pruned to eliminate duplicates Z: 108 50.918 2.073 0.604 0.676 0.916 0.579 CB 1.375 108 residues pruned to eliminate duplicates Z: 12 21.257 2.217 0.643 0.812 0.909 0.455 CB 1.475 12 residues pruned to eliminate duplicates Z: 17 16.955 1.806 0.352 0.913 0.938 0.938 CA 1.310 17 residues pruned to eliminate duplicates Z: 13 22.718 2.156 0.714 0.849 0.917 0.667 CB 1.436 13 residues pruned to eliminate duplicates Z: 18 17.325 1.948 0.165 0.905 1.000 0.824 CB 1.318 18 residues pruned to eliminate duplicates Z: 24 17.946 2.050 0.328 0.704 0.826 0.783 CB 1.382 24 residues pruned to eliminate duplicates Z: 16 16.867 1.839 0.348 0.874 1.000 0.600 CB 1.279 16 residues pruned to eliminate duplicates Z: 13 19.596 2.039 0.463 0.814 1.000 0.917 CA 1.443 13 residues pruned to eliminate duplicates Z: 9 11.183 1.799 0.498 0.838 1.000 0.875 CB 1.096 9 residues pruned to eliminate duplicates Z: 8 12.774 2.038 0.348 0.817 1.000 0.429 CB 1.334 8 residues pruned to eliminate duplicates Z: 14 13.636 2.059 0.285 0.459 1.000 0.769 CB 1.491 14 residues pruned to eliminate duplicates Z: 17 25.948 2.055 0.575 0.919 0.938 0.812 CA 1.506 17 residues pruned to eliminate duplicates Z: 74 53.813 2.168 0.887 0.592 0.973 0.616 CB 1.448 74 residues pruned to eliminate duplicates Z: 18 23.592 2.024 0.755 0.929 0.941 0.412 CB 1.198 18 residues pruned to eliminate duplicates Z: 8 4.510 1.841 0.856 0.538 0.714 0.571 CB 0.672 Z: 9 10.494 1.904 0.331 0.763 1.000 0.750 CA 1.159 9 residues pruned to eliminate duplicates Z: 7 10.123 2.177 -0.093 0.857 1.000 0.667 CB 1.543 7 residues pruned to eliminate duplicates Z: 6 12.248 1.863 0.539 0.857 1.000 0.600 CA 1.408 6 residues pruned to eliminate duplicates Z: 21 21.078 1.834 0.419 0.891 0.950 0.600 CB 1.370 20 residues pruned to eliminate duplicates Z: 18 35.628 2.003 0.902 0.910 1.000 0.706 CA 1.608 18 residues pruned to eliminate duplicates Z: 18 25.703 2.007 0.765 0.935 0.941 0.412 CB 1.303 18 residues pruned to eliminate duplicates Z: 33 28.229 2.102 0.765 0.589 0.906 0.594 CB 1.364 33 residues pruned to eliminate duplicates Z: 17 33.422 2.103 1.011 0.901 1.000 0.688 CB 1.411 17 residues pruned to eliminate duplicates Z: 14 19.401 1.907 1.040 0.783 0.923 0.538 CB 1.168 14 residues pruned to eliminate duplicates Z: 10 17.539 2.093 0.652 0.909 0.889 0.444 CB 1.349 10 residues pruned to eliminate duplicates Z: 13 21.407 2.105 0.808 0.874 1.000 0.667 CB 1.182 13 residues pruned to eliminate duplicates Z: 47 38.527 2.029 0.871 0.731 0.935 0.630 CB 1.300 47 residues pruned to eliminate duplicates Z: 13 11.932 1.880 0.143 0.831 0.917 0.500 CA 1.314 13 residues pruned to eliminate duplicates Z: 14 24.597 2.086 0.845 0.877 1.000 0.846 CB 1.288 14 residues pruned to eliminate duplicates Z: 7 4.255 1.699 0.249 0.486 1.000 0.500 CB 0.830 Z: 61 42.474 1.994 0.695 0.778 0.967 0.583 CB 1.313 57 residues pruned to eliminate duplicates Z: 17 16.698 1.924 0.095 0.917 1.000 0.875 CB 1.398 17 residues pruned to eliminate duplicates Z: 34 27.416 2.122 0.590 0.552 0.909 0.606 CB 1.479 34 residues pruned to eliminate duplicates Z: 18 19.399 2.010 0.194 0.911 1.000 0.765 CB 1.390 18 residues pruned to eliminate duplicates Z: 12 13.224 1.865 0.612 0.537 0.909 0.455 CB 1.407 12 residues pruned to eliminate duplicates Z: 9 15.533 2.116 1.087 0.356 0.875 0.500 N 1.659 9 residues pruned to eliminate duplicates Z: 6 4.629 1.597 0.154 0.726 1.000 0.600 N 0.916 6 residues pruned to eliminate duplicates Z: 32 29.823 2.143 0.773 0.615 0.903 0.548 CB 1.400 32 residues pruned to eliminate duplicates Z: 13 23.854 2.042 0.923 0.813 1.000 0.667 CB 1.336 13 residues pruned to eliminate duplicates Z: 59 43.571 2.068 0.570 0.786 0.948 0.483 CB 1.445 59 residues pruned to eliminate duplicates Z: 20 28.249 2.194 0.479 0.908 1.000 0.947 CA 1.418 20 residues pruned to eliminate duplicates Z: 13 13.513 1.837 0.245 0.923 1.000 1.000 CA 1.198 13 residues pruned to eliminate duplicates Z: 17 36.634 2.057 1.085 0.938 0.938 0.312 CA 1.584 17 residues pruned to eliminate duplicates Z: 14 11.940 2.097 0.429 0.570 0.846 0.538 CA 1.221 14 residues pruned to eliminate duplicates Z: 19 26.245 1.891 0.674 0.865 1.000 0.722 CB 1.431 19 residues pruned to eliminate duplicates Z: 10 13.342 2.057 0.211 0.896 1.000 1.000 CB 1.278 10 residues pruned to eliminate duplicates Z: 7 11.959 1.782 1.079 0.509 1.000 0.833 CA 1.306 7 residues pruned to eliminate duplicates Z: 12 14.976 1.660 0.946 0.852 0.909 0.818 CB 1.138 12 residues pruned to eliminate duplicates Z: 6 10.796 1.992 0.841 0.489 1.000 0.600 CA 1.331 6 residues pruned to eliminate duplicates Z: 13 26.964 2.031 0.961 0.891 0.917 0.667 CB 1.533 13 residues pruned to eliminate duplicates Z: 22 24.483 1.832 0.867 0.891 0.952 0.381 CB 1.179 22 residues pruned to eliminate duplicates Z: 47 34.019 1.996 0.664 0.773 0.935 0.587 CB 1.269 47 residues pruned to eliminate duplicates Z: 16 28.755 1.980 0.820 0.943 1.000 0.600 CB 1.427 16 residues pruned to eliminate duplicates Z: 42 30.867 2.061 0.487 0.728 0.951 0.537 CB 1.347 42 residues pruned to eliminate duplicates Z: 19 17.113 1.967 0.713 0.906 0.722 0.556 CB 1.179 19 residues pruned to eliminate duplicates Z: 39 22.134 1.910 0.509 0.406 0.921 0.632 CA 1.494 39 residues pruned to eliminate duplicates Z: 17 30.308 2.134 0.942 0.910 1.000 0.688 CB 1.297 17 residues pruned to eliminate duplicates Z: 8 6.723 1.588 0.437 0.473 1.000 0.714 CB 1.144 Z: 11 11.658 1.677 0.711 0.915 1.000 0.700 CB 0.908 Z: 18 21.551 1.939 0.421 0.880 1.000 0.882 CA 1.375 18 residues pruned to eliminate duplicates Z: 12 6.393 1.546 0.710 0.531 0.909 0.727 CB 0.778 8 residues pruned to eliminate duplicates Z: 16 31.738 2.060 0.894 0.935 1.000 0.600 CB 1.463 16 residues pruned to eliminate duplicates Z: 21 22.797 1.886 0.503 0.921 0.950 0.650 CB 1.332 21 residues pruned to eliminate duplicates Z: 18 14.858 1.881 0.100 0.908 1.000 0.941 CB 1.237 18 residues pruned to eliminate duplicates Z: 17 33.827 2.121 1.143 0.924 0.938 0.625 CB 1.394 17 residues pruned to eliminate duplicates Z: 13 25.036 2.006 0.921 0.918 0.917 0.667 CA 1.443 13 residues pruned to eliminate duplicates Z: 9 7.184 1.921 0.935 0.402 0.750 0.250 CB 1.011 16 residues pruned to eliminate duplicates Z: 8 18.395 2.134 0.539 0.898 1.000 0.857 CB 1.515 8 residues pruned to eliminate duplicates Z: 10 12.912 1.563 1.013 0.776 0.778 0.333 N 1.378 10 residues pruned to eliminate duplicates Z: 6 4.317 1.585 0.029 0.805 1.000 0.800 CB 0.908 6 residues pruned to eliminate duplicates Z: 10 19.980 2.069 0.839 0.648 1.000 0.667 CA 1.525 10 residues pruned to eliminate duplicates Z: 58 40.484 2.163 0.634 0.577 0.947 0.702 CB 1.487 58 residues pruned to eliminate duplicates Z: 18 32.565 2.004 0.927 0.905 0.941 0.471 CA 1.547 18 residues pruned to eliminate duplicates Z: 16 33.798 2.039 1.122 0.948 1.000 0.333 CB 1.393 16 residues pruned to eliminate duplicates Z: 16 6.936 1.863 0.105 0.359 0.867 0.467 CB 1.169 8 residues pruned to eliminate duplicates Z: 8 6.198 1.752 0.456 0.506 0.714 0.571 N 1.278 8 residues pruned to eliminate duplicates Z: 16 33.812 2.144 1.316 0.921 0.933 0.467 CB 1.326 16 residues pruned to eliminate duplicates Z: 9 6.172 1.600 0.286 0.492 0.875 0.625 CB 1.223 9 residues pruned to eliminate duplicates Z: 30 25.560 2.034 0.748 0.536 0.931 0.552 CB 1.384 30 residues pruned to eliminate duplicates Z: 12 24.656 2.087 0.623 0.876 1.000 0.727 CB 1.595 12 residues pruned to eliminate duplicates Z: 8 5.316 1.794 -0.174 0.512 1.000 0.429 CB 1.341 Z: 6 8.304 1.916 0.736 0.601 0.800 0.400 CA 1.267 6 residues pruned to eliminate duplicates Z: 12 26.910 2.119 0.706 0.920 1.000 0.455 CB 1.581 12 residues pruned to eliminate duplicates Z: 17 23.412 2.093 0.691 0.901 0.938 0.875 CB 1.259 17 residues pruned to eliminate duplicates Z: 32 27.767 2.037 0.704 0.615 0.903 0.613 CA 1.427 32 residues pruned to eliminate duplicates Z: 9 11.572 1.813 0.413 0.635 1.000 0.625 CA 1.407 8 residues pruned to eliminate duplicates Z: 21 37.376 2.147 0.889 0.902 0.950 0.750 CA 1.548 21 residues pruned to eliminate duplicates Z: 6 2.789 1.717 0.242 0.479 0.800 0.600 CB 0.746 6 residues pruned to eliminate duplicates Z: 16 11.318 2.063 0.364 0.340 0.933 0.600 CA 1.326 16 residues pruned to eliminate duplicates Z: 7 9.780 2.095 0.332 0.551 1.000 0.667 CB 1.361 7 residues pruned to eliminate duplicates Z: 12 12.732 1.938 -0.031 0.929 1.000 0.909 CB 1.432 12 residues pruned to eliminate duplicates Z: 16 17.146 2.004 0.118 0.936 1.000 0.933 CB 1.376 16 residues pruned to eliminate duplicates Z: 9 3.880 1.807 0.708 0.356 0.625 0.500 CB 0.831 Z: 22 35.586 2.174 0.763 0.874 0.952 0.762 CA 1.548 22 residues pruned to eliminate duplicates Z: 33 28.087 2.068 0.429 0.557 1.000 0.688 CB 1.589 33 residues pruned to eliminate duplicates Z: 15 19.382 1.975 0.543 0.770 0.929 0.714 CA 1.441 15 residues pruned to eliminate duplicates Z: 6 3.837 1.678 0.141 0.427 1.000 0.800 CA 0.966 6 residues pruned to eliminate duplicates Z: 30 29.811 2.084 0.879 0.546 0.897 0.586 CA 1.508 30 residues pruned to eliminate duplicates Z: 7 8.270 1.756 0.141 0.804 1.000 0.833 CA 1.292 7 residues pruned to eliminate duplicates Z: 16 14.739 1.951 -0.052 0.948 1.000 0.933 CB 1.421 16 residues pruned to eliminate duplicates Z: 13 21.608 2.035 0.601 0.893 1.000 0.750 CB 1.375 13 residues pruned to eliminate duplicates Z: 14 17.887 2.063 0.293 0.712 1.000 0.615 CB 1.535 14 residues pruned to eliminate duplicates Z: 6 5.878 1.744 -0.016 0.634 1.000 0.600 CB 1.351 Z: 17 32.802 2.118 1.145 0.901 1.000 0.312 CB 1.288 17 residues pruned to eliminate duplicates Z: 12 26.406 2.107 1.073 0.924 0.909 0.727 CA 1.408 12 residues pruned to eliminate duplicates Z: 21 23.735 1.883 0.764 0.879 0.900 0.350 CB 1.287 21 residues pruned to eliminate duplicates Z: 12 9.442 1.659 0.592 0.855 0.909 0.727 CB 0.875 12 residues pruned to eliminate duplicates Z: 13 19.572 1.965 0.556 0.905 1.000 1.000 CA 1.315 13 residues pruned to eliminate duplicates Z: 12 14.297 1.986 0.167 0.905 1.000 0.909 CB 1.324 12 residues pruned to eliminate duplicates Z: 19 15.696 1.935 0.236 0.927 1.000 0.889 CA 1.084 19 residues pruned to eliminate duplicates Z: 16 21.128 1.867 0.544 0.883 0.933 0.267 CB 1.467 16 residues pruned to eliminate duplicates Z: 15 18.866 1.966 0.440 0.888 1.000 0.857 CA 1.283 15 residues pruned to eliminate duplicates Z: 21 26.806 2.100 0.561 0.883 0.950 0.800 CA 1.391 21 residues pruned to eliminate duplicates Z: 8 3.681 1.525 -0.120 0.442 0.857 0.429 O 1.284 Z: 13 21.177 2.147 0.588 0.828 0.917 0.500 CB 1.473 13 residues pruned to eliminate duplicates Z: 16 11.704 2.075 0.326 0.544 0.867 0.400 CB 1.214 16 residues pruned to eliminate duplicates Z: 18 17.001 1.787 0.622 0.860 0.882 0.647 CB 1.185 18 residues pruned to eliminate duplicates Z: 67 39.377 1.949 0.688 0.718 0.909 0.485 CB 1.330 67 residues pruned to eliminate duplicates Z: 6 10.469 2.256 0.017 0.874 1.000 0.800 CB 1.484 6 residues pruned to eliminate duplicates Z: 17 15.959 1.739 0.550 0.862 1.000 0.812 CA 1.086 17 residues pruned to eliminate duplicates Z: 17 30.175 2.051 0.768 0.943 1.000 0.688 CB 1.442 17 residues pruned to eliminate duplicates Z: 18 23.668 1.964 0.724 0.852 0.882 0.706 CA 1.421 18 residues pruned to eliminate duplicates Z: 8 5.234 1.749 0.343 0.402 0.714 0.714 CB 1.309 8 residues pruned to eliminate duplicates Z: 13 22.203 2.088 0.856 0.916 1.000 0.750 CB 1.168 13 residues pruned to eliminate duplicates Z: 12 24.400 2.183 0.879 0.834 0.909 0.455 CB 1.480 12 residues pruned to eliminate duplicates Z: 51 31.223 2.004 0.530 0.664 0.940 0.580 CB 1.317 51 residues pruned to eliminate duplicates Z: 8 13.778 2.030 0.460 0.894 1.000 0.857 CB 1.260 8 residues pruned to eliminate duplicates Z: 6 5.161 1.736 -0.179 0.662 1.000 0.800 CB 1.393 6 residues pruned to eliminate duplicates Z: 6 6.043 1.795 0.802 0.625 0.600 0.600 CA 1.237 6 residues pruned to eliminate duplicates Z: 20 22.783 1.947 0.684 0.893 0.895 0.632 CB 1.278 20 residues pruned to eliminate duplicates Z: 21 27.346 1.870 0.850 0.901 0.950 0.600 CB 1.328 21 residues pruned to eliminate duplicates Z: 19 25.978 1.934 0.725 0.907 1.000 0.833 CA 1.305 19 residues pruned to eliminate duplicates Z: 7 3.813 1.983 -0.326 0.904 1.000 0.833 CB 0.829 7 residues pruned to eliminate duplicates Z: 29 21.399 2.077 0.689 0.592 0.857 0.464 CB 1.231 29 residues pruned to eliminate duplicates Z: 6 3.010 1.469 0.610 0.386 0.600 0.400 CA 1.071 Z: 18 19.430 1.922 0.329 0.918 0.941 0.824 CB 1.382 18 residues pruned to eliminate duplicates Z: 18 18.579 1.958 0.221 0.911 1.000 0.706 CB 1.336 18 residues pruned to eliminate duplicates Z: 32 29.916 2.046 0.712 0.624 0.935 0.548 CA 1.459 32 residues pruned to eliminate duplicates Z: 7 4.387 1.693 0.617 0.479 1.000 0.667 CB 0.668 Z: 11 16.655 2.044 0.518 0.889 0.900 0.400 CB 1.358 11 residues pruned to eliminate duplicates Z: 24 19.452 1.934 0.433 0.754 0.870 0.739 CB 1.342 24 residues pruned to eliminate duplicates Z: 53 36.807 2.007 0.725 0.579 0.942 0.558 CB 1.451 53 residues pruned to eliminate duplicates Z: 13 14.855 1.930 0.471 0.825 0.833 0.583 CB 1.368 13 residues pruned to eliminate duplicates Z: 20 19.599 1.955 0.454 0.875 0.895 0.579 CB 1.285 20 residues pruned to eliminate duplicates Z: 8 2.262 1.651 0.380 0.306 0.571 0.286 CB 0.814 8 residues pruned to eliminate duplicates Z: 17 6.548 1.891 0.269 0.266 0.688 0.375 CB 1.295 17 residues pruned to eliminate duplicates Z: 13 14.265 1.910 0.267 0.836 0.917 0.917 CB 1.389 13 residues pruned to eliminate duplicates Z: 20 21.562 1.933 0.550 0.896 0.895 0.737 CB 1.322 20 residues pruned to eliminate duplicates Z: 16 19.881 1.747 0.945 0.876 0.933 0.333 CB 1.176 19 residues pruned to eliminate duplicates Z: 6 3.090 1.386 0.712 0.354 1.000 0.600 CB 0.682 Z: 10 12.113 1.909 0.504 0.768 0.889 0.778 CB 1.247 10 residues pruned to eliminate duplicates Z: 17 21.178 1.838 0.540 0.932 1.000 0.625 CB 1.306 17 residues pruned to eliminate duplicates Z: 30 22.912 1.852 0.610 0.672 0.966 0.759 CB 1.261 30 residues pruned to eliminate duplicates Z: 6 4.287 1.570 0.184 0.540 0.800 0.400 CB 1.239 6 residues pruned to eliminate duplicates Z: 14 15.190 1.943 0.742 0.901 1.000 0.615 CB 0.888 14 residues pruned to eliminate duplicates Z: 6 3.990 1.502 0.786 0.592 0.800 0.400 CA 0.762 Z: 11 6.055 1.618 0.229 0.458 0.800 0.500 CA 1.256 Z: 8 7.386 1.767 0.669 0.471 0.857 0.714 N 1.137 8 residues pruned to eliminate duplicates Z: 14 12.145 2.025 0.682 0.337 0.846 0.538 CB 1.396 10 residues pruned to eliminate duplicates Z: 18 33.291 2.145 0.910 0.924 0.941 0.765 CB 1.471 18 residues pruned to eliminate duplicates Z: 19 38.199 2.284 0.925 0.894 0.944 0.667 CA 1.555 19 residues pruned to eliminate duplicates Z: 7 11.285 2.182 0.238 0.901 1.000 1.000 CB 1.218 7 residues pruned to eliminate duplicates Z: 49 39.022 2.067 0.820 0.598 0.938 0.604 CB 1.454 71 residues pruned to eliminate duplicates Z: 6 2.714 1.229 0.541 0.254 1.000 0.600 C 0.850 Z: 10 3.969 1.581 0.494 0.083 0.778 0.444 CA 1.236 Z: 6 3.997 1.296 0.762 0.449 0.800 0.800 CA 1.032 6 residues pruned to eliminate duplicates Z: 14 10.401 2.125 0.461 0.207 0.846 0.385 CB 1.552 14 residues pruned to eliminate duplicates Z: 46 31.452 2.167 0.469 0.490 0.978 0.733 CB 1.523 56 residues pruned to eliminate duplicates Z: 14 9.046 1.792 0.494 0.502 0.846 0.462 CB 1.106 14 residues pruned to eliminate duplicates Z: 25 19.097 1.901 0.569 0.791 0.917 0.542 CB 1.105 25 residues pruned to eliminate duplicates Z: 14 12.719 1.992 0.869 0.503 0.769 0.615 CB 1.228 14 residues pruned to eliminate duplicates Z: 18 24.578 1.682 1.033 0.930 1.000 0.588 CB 1.218 21 residues pruned to eliminate duplicates Z: 17 11.434 2.037 0.438 0.542 0.812 0.438 CB 1.152 17 residues pruned to eliminate duplicates Z: 19 24.005 1.932 0.758 0.881 0.889 0.889 CB 1.357 19 residues pruned to eliminate duplicates Z: 9 8.544 1.662 0.624 0.463 1.000 0.625 CA 1.163 9 residues pruned to eliminate duplicates Z: 13 8.615 1.598 0.618 0.869 0.917 0.917 CB 0.767 12 residues pruned to eliminate duplicates Z: 18 21.982 1.946 0.476 0.762 1.000 0.706 CB 1.471 18 residues pruned to eliminate duplicates Z: 8 8.048 1.784 0.849 0.620 0.857 0.714 CB 0.961 17 residues pruned to eliminate duplicates Z: 10 19.089 2.235 0.383 0.878 1.000 0.889 CB 1.493 10 residues pruned to eliminate duplicates Z: 17 25.358 2.079 0.705 0.914 1.000 0.688 CA 1.264 17 residues pruned to eliminate duplicates Z: 17 8.486 2.062 0.198 0.271 0.875 0.375 CB 1.273 17 residues pruned to eliminate duplicates Z: 8 8.735 1.414 1.139 0.700 1.000 0.571 CB 0.910 8 residues pruned to eliminate duplicates Z: 11 7.294 1.672 0.107 0.849 1.000 0.600 CB 0.923 11 residues pruned to eliminate duplicates Z: 20 20.719 1.876 0.465 0.851 0.895 0.737 CA 1.430 20 residues pruned to eliminate duplicates Z: 6 11.079 1.899 0.263 0.838 1.000 0.800 CA 1.544 6 residues pruned to eliminate duplicates Z: 17 18.497 1.770 0.865 0.887 1.000 0.500 CB 1.010 17 residues pruned to eliminate duplicates Z: 17 17.947 1.733 0.770 0.893 0.875 0.500 CB 1.200 17 residues pruned to eliminate duplicates Z: 36 29.328 2.009 0.775 0.608 0.943 0.886 CB 1.330 36 residues pruned to eliminate duplicates Z: 71 40.103 2.016 0.579 0.687 0.914 0.557 CB 1.387 71 residues pruned to eliminate duplicates Z: 64 30.055 2.008 0.487 0.552 0.873 0.603 CB 1.381 64 residues pruned to eliminate duplicates Z: 99 54.394 2.053 0.793 0.660 0.929 0.622 CB 1.386 99 residues pruned to eliminate duplicates Z: 13 19.091 1.966 0.750 0.870 1.000 0.667 CB 1.169 13 residues pruned to eliminate duplicates Z: 13 9.275 1.623 0.644 0.428 0.917 0.500 CB 1.180 21 residues pruned to eliminate duplicates Z: 25 22.740 1.998 0.423 0.762 0.958 0.750 CB 1.350 25 residues pruned to eliminate duplicates Z: 19 25.153 1.726 0.982 0.884 1.000 0.556 CA 1.252 19 residues pruned to eliminate duplicates Z: 13 18.420 1.895 0.622 0.810 1.000 0.333 CB 1.321 13 residues pruned to eliminate duplicates Z: 6 3.381 1.521 1.002 0.148 0.800 0.400 CB 0.958 Z: 22 38.352 2.133 0.956 0.859 0.952 0.714 CB 1.550 22 residues pruned to eliminate duplicates Z: 42 30.007 2.024 0.875 0.571 0.878 0.561 CB 1.313 49 residues pruned to eliminate duplicates Z: 45 27.456 2.137 0.464 0.503 0.932 0.705 CB 1.415 45 residues pruned to eliminate duplicates Z: 17 19.511 1.931 0.759 0.707 0.938 0.750 CB 1.269 17 residues pruned to eliminate duplicates Z: 38 24.289 1.954 0.718 0.670 0.892 0.459 CB 1.140 38 residues pruned to eliminate duplicates Z: 18 29.571 1.951 0.995 0.888 1.000 0.706 CB 1.328 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 23 18.078 1.902 0.405 0.714 0.909 0.682 CB 1.307 23 residues pruned to eliminate duplicates Z: 18 25.347 1.984 0.795 0.834 0.941 0.706 CB 1.375 18 residues pruned to eliminate duplicates Z: 47 29.979 1.949 0.412 0.782 0.978 0.674 CB 1.281 47 residues pruned to eliminate duplicates Z: 40 26.980 1.927 0.371 0.794 0.949 0.692 CB 1.332 40 residues pruned to eliminate duplicates Z: 40 31.198 1.939 0.544 0.798 0.974 0.744 CB 1.319 40 residues pruned to eliminate duplicates Z: 20 25.345 1.970 0.835 0.787 0.895 0.842 CB 1.397 20 residues pruned to eliminate duplicates Z: 26 27.574 1.996 0.634 0.742 1.000 0.640 CB 1.361 26 residues pruned to eliminate duplicates Z: 67 40.830 1.993 0.648 0.736 0.939 0.667 CB 1.318 67 residues pruned to eliminate duplicates Z: 67 41.017 1.980 0.724 0.677 0.939 0.576 CB 1.337 67 residues pruned to eliminate duplicates Z: 18 28.255 2.025 0.853 0.836 0.941 0.824 CB 1.452 18 residues pruned to eliminate duplicates Z: 17 31.622 2.081 0.993 0.911 0.938 0.750 CB 1.441 17 residues pruned to eliminate duplicates Z: 132 52.462 2.044 0.644 0.607 0.901 0.580 CB 1.368 132 residues pruned to eliminate duplicates Z: 39 29.926 1.922 0.682 0.680 0.947 0.579 CB 1.343 39 residues pruned to eliminate duplicates Z: 18 25.528 2.017 0.736 0.855 0.941 0.706 CB 1.386 18 residues pruned to eliminate duplicates Z: 92 51.375 2.034 0.695 0.713 0.956 0.648 CB 1.347 92 residues pruned to eliminate duplicates Z: 67 43.648 2.015 0.593 0.757 0.985 0.682 CB 1.352 67 residues pruned to eliminate duplicates Z: 32 23.608 1.885 0.663 0.687 0.903 0.645 CB 1.262 32 residues pruned to eliminate duplicates Z: 33 18.576 1.922 0.605 0.658 0.812 0.562 CB 1.131 33 residues pruned to eliminate duplicates Z: 72 42.145 1.973 0.765 0.691 0.915 0.662 CB 1.317 72 residues pruned to eliminate duplicates Z: 14 8.537 1.809 0.339 0.595 0.769 0.462 CB 1.161 14 residues pruned to eliminate duplicates Z: 60 39.874 2.004 0.643 0.781 0.966 0.610 CB 1.274 60 residues pruned to eliminate duplicates Z: 72 47.609 2.039 0.840 0.721 0.915 0.620 CB 1.347 72 residues pruned to eliminate duplicates Z: 68 38.028 2.015 0.667 0.723 0.881 0.657 CB 1.284 68 residues pruned to eliminate duplicates Z: 107 52.085 2.068 0.707 0.615 0.934 0.642 CB 1.377 107 residues pruned to eliminate duplicates Z: 104 53.293 2.104 0.685 0.633 0.942 0.631 CB 1.389 104 residues pruned to eliminate duplicates Z: 46 35.740 1.957 0.607 0.794 1.000 0.622 CB 1.309 46 residues pruned to eliminate duplicates Z: 137 59.301 2.080 0.744 0.595 0.934 0.537 CB 1.371 137 residues pruned to eliminate duplicates Z: 24 24.300 1.965 0.509 0.849 1.000 0.522 CB 1.267 24 residues pruned to eliminate duplicates Z: 56 37.290 2.011 0.643 0.752 0.945 0.636 CB 1.285 56 residues pruned to eliminate duplicates Z: 135 60.081 2.068 0.723 0.657 0.925 0.612 CB 1.361 133 residues pruned to eliminate duplicates Z: 12 24.835 1.932 0.940 0.898 0.909 0.545 CB 1.572 12 residues pruned to eliminate duplicates Z: 123 64.004 2.094 0.777 0.654 0.959 0.656 CB 1.406 136 residues pruned to eliminate duplicates Z: 17 24.853 1.959 0.609 0.917 0.938 0.812 CB 1.484 17 residues pruned to eliminate duplicates Z: 66 47.209 2.021 0.821 0.737 0.954 0.492 CB 1.349 66 residues pruned to eliminate duplicates Z: 31 30.406 2.039 0.792 0.725 0.933 0.533 CB 1.329 31 residues pruned to eliminate duplicates Z: 70 39.000 1.961 0.758 0.640 0.899 0.580 CB 1.330 70 residues pruned to eliminate duplicates Z: 41 30.621 2.006 0.634 0.713 0.950 0.600 CB 1.282 41 residues pruned to eliminate duplicates Z: 82 53.591 2.041 0.885 0.730 0.926 0.556 CB 1.358 82 residues pruned to eliminate duplicates Z: 66 41.649 1.981 0.840 0.689 0.908 0.415 CB 1.314 66 residues pruned to eliminate duplicates Z: 58 40.013 1.983 0.707 0.750 0.930 0.667 CB 1.348 56 residues pruned to eliminate duplicates Z: 13 20.872 2.096 0.856 0.835 0.917 0.750 CB 1.265 13 residues pruned to eliminate duplicates Z: 9 25.777 2.198 1.022 0.793 1.000 0.875 CB 1.586 9 residues pruned to eliminate duplicates Z: 67 44.359 2.033 0.689 0.748 0.955 0.727 CB 1.334 67 residues pruned to eliminate duplicates Z: 11 15.348 2.085 0.665 0.650 0.900 0.600 CB 1.352 11 residues pruned to eliminate duplicates Z: 11 14.814 2.109 0.472 0.668 0.900 0.700 CB 1.436 11 residues pruned to eliminate duplicates Z: 9 19.473 2.199 0.766 0.764 0.875 0.625 CB 1.603 9 residues pruned to eliminate duplicates Z: 93 51.718 2.183 0.737 0.577 0.924 0.630 CB 1.429 93 residues pruned to eliminate duplicates Z: 56 39.652 1.996 0.671 0.766 0.982 0.618 CB 1.290 56 residues pruned to eliminate duplicates Z: 65 45.528 2.027 0.819 0.743 0.922 0.578 CB 1.347 65 residues pruned to eliminate duplicates Z: 22 23.986 2.062 0.871 0.679 0.905 0.714 CB 1.272 22 residues pruned to eliminate duplicates Z: 22 27.392 2.136 0.931 0.685 0.905 0.714 CB 1.352 22 residues pruned to eliminate duplicates Z: 40 28.272 2.021 0.689 0.665 0.846 0.692 CB 1.345 40 residues pruned to eliminate duplicates Z: 90 49.459 2.142 0.703 0.576 0.966 0.674 CB 1.382 90 residues pruned to eliminate duplicates Z: 22 25.327 2.120 0.810 0.661 0.952 0.524 CB 1.303 22 residues pruned to eliminate duplicates Z: 22 24.651 2.152 0.881 0.636 0.857 0.619 CB 1.364 22 residues pruned to eliminate duplicates Z: 94 52.455 2.187 0.670 0.576 0.946 0.688 CB 1.462 94 residues pruned to eliminate duplicates Z: 22 23.959 2.071 0.722 0.680 0.952 0.762 CB 1.305 22 residues pruned to eliminate duplicates Z: 21 25.439 2.170 0.730 0.640 0.900 0.650 CB 1.477 21 residues pruned to eliminate duplicates Z: 21 26.307 2.145 0.727 0.702 0.900 0.700 CB 1.468 21 residues pruned to eliminate duplicates Z: 94 54.183 2.180 0.785 0.568 0.957 0.677 CB 1.413 94 residues pruned to eliminate duplicates Z: 34 34.720 2.087 1.039 0.687 0.909 0.697 CB 1.315 34 residues pruned to eliminate duplicates Z: 75 38.467 2.108 0.667 0.498 0.905 0.635 CB 1.408 75 residues pruned to eliminate duplicates Z: 17 19.853 1.830 0.958 0.650 0.875 0.688 CB 1.376 17 residues pruned to eliminate duplicates Z: 58 43.299 2.155 0.736 0.574 0.947 0.737 CB 1.507 58 residues pruned to eliminate duplicates Z: 57 38.986 2.155 0.641 0.579 0.964 0.643 CB 1.416 57 residues pruned to eliminate duplicates Z: 124 57.928 2.080 0.676 0.654 0.927 0.642 CB 1.401 124 residues pruned to eliminate duplicates Z: 22 22.153 1.995 0.702 0.654 0.905 0.619 CA 1.363 22 residues pruned to eliminate duplicates Z: 37 29.154 2.086 0.732 0.666 0.917 0.694 CB 1.258 37 residues pruned to eliminate duplicates Z: 59 40.119 2.151 0.684 0.560 0.948 0.655 CB 1.448 59 residues pruned to eliminate duplicates Z: 27 20.776 1.861 0.840 0.540 0.808 0.462 CB 1.417 27 residues pruned to eliminate duplicates Z: 36 35.427 2.074 0.997 0.657 0.886 0.629 CB 1.410 36 residues pruned to eliminate duplicates Z: 68 40.613 2.087 0.664 0.579 0.955 0.627 CB 1.386 68 residues pruned to eliminate duplicates Z: 15 24.641 2.056 1.143 0.742 0.857 0.429 CB 1.404 15 residues pruned to eliminate duplicates Z: 92 48.691 2.152 0.721 0.558 0.923 0.615 CB 1.412 92 residues pruned to eliminate duplicates Z: 78 49.549 2.159 0.797 0.579 0.922 0.688 CB 1.462 78 residues pruned to eliminate duplicates Z: 77 43.751 2.158 0.687 0.583 0.921 0.684 CB 1.382 77 residues pruned to eliminate duplicates Z: 74 45.829 2.168 0.707 0.571 0.973 0.671 CB 1.391 74 residues pruned to eliminate duplicates Z: 22 29.142 2.023 0.947 0.654 0.952 0.810 CA 1.470 22 residues pruned to eliminate duplicates Z: 94 51.679 2.173 0.737 0.572 0.935 0.688 CB 1.416 94 residues pruned to eliminate duplicates Z: 123 59.650 2.102 0.747 0.645 0.918 0.615 CB 1.399 123 residues pruned to eliminate duplicates Z: 95 47.345 2.140 0.728 0.553 0.915 0.660 CB 1.371 95 residues pruned to eliminate duplicates Z: 62 43.147 2.119 0.746 0.547 0.984 0.689 CB 1.451 62 residues pruned to eliminate duplicates Z: 70 39.261 2.162 0.656 0.572 0.928 0.594 CB 1.328 70 residues pruned to eliminate duplicates Z: 77 50.685 2.169 0.824 0.579 0.934 0.724 CB 1.458 77 residues pruned to eliminate duplicates Z: 76 41.711 2.122 0.672 0.535 0.933 0.613 CB 1.404 76 residues pruned to eliminate duplicates Z: 75 46.341 2.141 0.807 0.575 0.932 0.649 CB 1.389 75 residues pruned to eliminate duplicates Z: 57 43.943 2.186 0.812 0.562 0.946 0.643 CB 1.475 57 residues pruned to eliminate duplicates Z: 37 32.958 2.219 0.663 0.506 0.972 0.750 CB 1.522 37 residues pruned to eliminate duplicates Z: 59 40.925 2.158 0.776 0.553 0.931 0.569 CB 1.430 59 residues pruned to eliminate duplicates Z: 75 42.899 2.137 0.725 0.543 0.932 0.500 CB 1.392 75 residues pruned to eliminate duplicates Z: 52 30.069 2.116 0.664 0.477 0.882 0.588 CB 1.387 52 residues pruned to eliminate duplicates Z: 77 53.329 2.187 0.850 0.596 0.947 0.658 CB 1.457 77 residues pruned to eliminate duplicates Z: 58 42.304 2.165 0.800 0.571 0.947 0.596 CB 1.417 58 residues pruned to eliminate duplicates Z: 70 42.022 2.083 0.762 0.537 0.942 0.565 CB 1.411 70 residues pruned to eliminate duplicates Z: 59 40.288 2.146 0.718 0.579 0.914 0.569 CB 1.455 59 residues pruned to eliminate duplicates Z: 65 48.346 2.184 0.834 0.563 0.953 0.656 CB 1.490 65 residues pruned to eliminate duplicates Z: 57 44.388 2.179 0.754 0.588 0.964 0.696 CB 1.479 57 residues pruned to eliminate duplicates Z: 74 44.114 2.168 0.723 0.549 0.932 0.616 CB 1.414 74 residues pruned to eliminate duplicates Z: 57 45.453 2.191 0.867 0.590 0.929 0.643 CB 1.468 57 residues pruned to eliminate duplicates Z: 74 46.977 2.172 0.768 0.563 0.945 0.630 CB 1.424 74 residues pruned to eliminate duplicates Z: 58 43.998 2.156 0.825 0.570 0.930 0.614 CB 1.489 58 residues pruned to eliminate duplicates Z: 59 44.510 2.146 0.813 0.575 0.966 0.621 CB 1.447 59 residues pruned to eliminate duplicates Z: 52 38.253 2.226 0.726 0.506 0.941 0.608 CB 1.472 52 residues pruned to eliminate duplicates Z: 58 42.695 2.172 0.774 0.552 0.965 0.614 CB 1.446 58 residues pruned to eliminate duplicates Z: 70 46.396 2.176 0.832 0.567 0.913 0.667 CB 1.437 70 residues pruned to eliminate duplicates Z: 75 46.380 2.138 0.873 0.546 0.932 0.595 CB 1.381 75 residues pruned to eliminate duplicates Z: 61 42.440 2.130 0.856 0.549 0.950 0.600 CB 1.390 61 residues pruned to eliminate duplicates Z: 59 41.163 2.137 0.814 0.568 0.914 0.638 CB 1.429 59 residues pruned to eliminate duplicates Z: 59 34.189 2.122 0.618 0.522 0.966 0.552 CB 1.325 59 residues pruned to eliminate duplicates Z: 62 44.066 2.140 0.866 0.558 0.934 0.590 CB 1.429 62 residues pruned to eliminate duplicates Z: 70 44.953 2.157 0.800 0.575 0.942 0.594 CB 1.376 70 residues pruned to eliminate duplicates Z: 35 23.037 2.133 0.498 0.468 0.912 0.647 CB 1.401 35 residues pruned to eliminate duplicates Z: 46 34.950 2.123 0.680 0.530 0.956 0.556 CB 1.484 46 residues pruned to eliminate duplicates Z: 59 44.045 2.156 0.834 0.560 0.966 0.672 CB 1.430 59 residues pruned to eliminate duplicates Z: 110 56.571 2.141 0.772 0.608 0.927 0.661 CB 1.392 110 residues pruned to eliminate duplicates Z: 36 31.620 2.249 0.694 0.516 0.914 0.714 CB 1.510 36 residues pruned to eliminate duplicates Z: 94 56.917 2.162 0.857 0.600 0.946 0.559 CB 1.412 120 residues pruned to eliminate duplicates Z: 13 10.672 2.107 0.106 0.686 0.917 0.833 CB 1.216 13 residues pruned to eliminate duplicates Z: 51 34.973 2.164 0.764 0.514 0.920 0.680 CB 1.388 51 residues pruned to eliminate duplicates Z: 8 9.612 2.025 0.469 0.693 0.857 0.571 CB 1.195 8 residues pruned to eliminate duplicates Z: 94 56.916 2.173 0.889 0.554 0.935 0.602 CB 1.458 94 residues pruned to eliminate duplicates Z: 70 47.415 2.165 0.807 0.586 0.971 0.623 CB 1.384 70 residues pruned to eliminate duplicates Z: 75 41.812 2.124 0.737 0.523 0.919 0.635 CB 1.400 75 residues pruned to eliminate duplicates Z: 17 18.230 2.149 0.556 0.596 0.875 0.625 CB 1.421 17 residues pruned to eliminate duplicates Z: 18 20.759 2.143 0.649 0.564 0.941 0.529 CB 1.422 18 residues pruned to eliminate duplicates Z: 75 49.545 2.142 0.814 0.578 0.959 0.514 CB 1.434 75 residues pruned to eliminate duplicates Z: 10 14.670 2.195 0.956 0.453 0.889 0.444 CB 1.344 10 residues pruned to eliminate duplicates Z: 9 10.070 2.231 0.814 0.418 0.750 0.250 CB 1.277 9 residues pruned to eliminate duplicates Z: 11 12.647 1.946 0.878 0.391 0.900 0.600 CB 1.365 11 residues pruned to eliminate duplicates Z: 21 19.345 2.021 0.697 0.540 0.900 0.450 CB 1.348 21 residues pruned to eliminate duplicates Z: 78 47.299 2.142 0.751 0.567 0.922 0.558 CB 1.460 78 residues pruned to eliminate duplicates Z: 75 46.861 2.158 0.807 0.544 0.946 0.554 CB 1.415 75 residues pruned to eliminate duplicates Z: 17 20.285 2.179 0.805 0.591 0.875 0.562 CB 1.350 17 residues pruned to eliminate duplicates Z: 12 16.015 1.939 0.409 0.871 1.000 0.818 CA 1.289 12 residues pruned to eliminate duplicates Z: 9 8.503 1.924 0.115 0.757 1.000 0.875 CB 1.115 9 residues pruned to eliminate duplicates Z: 25 24.980 1.981 0.523 0.725 0.958 0.833 CB 1.439 24 residues pruned to eliminate duplicates Z: 21 17.968 1.860 0.250 0.846 1.000 0.800 CA 1.284 21 residues pruned to eliminate duplicates Z: 20 21.177 2.000 0.402 0.865 0.947 0.632 CB 1.340 20 residues pruned to eliminate duplicates Z: 29 20.374 1.756 0.645 0.658 0.893 0.500 CB 1.290 29 residues pruned to eliminate duplicates Z: 20 24.319 1.977 0.705 0.864 0.947 0.632 CB 1.281 20 residues pruned to eliminate duplicates Z: 21 27.843 1.974 0.842 0.868 1.000 0.500 CB 1.252 21 residues pruned to eliminate duplicates Z: 26 26.388 1.946 0.765 0.721 0.960 0.520 CB 1.311 26 residues pruned to eliminate duplicates Z: 20 24.978 1.985 0.776 0.854 0.947 0.316 CB 1.267 20 residues pruned to eliminate duplicates Z: 26 20.535 1.880 0.766 0.706 0.840 0.560 CB 1.221 26 residues pruned to eliminate duplicates Z: 26 25.713 1.910 0.779 0.728 0.960 0.640 CB 1.284 26 residues pruned to eliminate duplicates Z: 25 20.601 1.850 0.807 0.734 0.917 0.583 CB 1.112 25 residues pruned to eliminate duplicates Z: 28 20.446 1.873 0.829 0.692 0.889 0.333 CB 1.084 28 residues pruned to eliminate duplicates Z: 28 23.869 1.857 0.863 0.664 0.926 0.370 CB 1.232 28 residues pruned to eliminate duplicates Z: 34 19.163 1.890 0.713 0.608 0.788 0.515 CB 1.181 34 residues pruned to eliminate duplicates Z: 20 25.432 1.982 0.928 0.855 0.947 0.316 CB 1.189 20 residues pruned to eliminate duplicates Z: 20 26.493 1.994 0.808 0.899 0.947 0.368 CB 1.272 20 residues pruned to eliminate duplicates Z: 21 22.979 1.938 0.840 0.818 0.900 0.300 CB 1.214 21 residues pruned to eliminate duplicates Z: 19 29.013 2.011 0.771 0.847 0.944 0.667 CA 1.509 18 residues pruned to eliminate duplicates Z: 18 27.202 1.975 0.747 0.860 0.941 0.706 CA 1.494 18 residues pruned to eliminate duplicates Z: 34 32.809 2.052 0.531 0.741 0.939 0.697 CA 1.559 34 residues pruned to eliminate duplicates Z: 57 36.605 2.058 0.469 0.715 0.929 0.625 CB 1.434 57 residues pruned to eliminate duplicates Z: 34 33.124 2.042 0.533 0.751 0.970 0.636 CB 1.518 34 residues pruned to eliminate duplicates Z: 20 25.515 1.965 0.813 0.774 0.947 0.421 CA 1.362 20 residues pruned to eliminate duplicates Z: 33 32.648 2.076 0.577 0.755 0.906 0.500 CA 1.550 34 residues pruned to eliminate duplicates Z: 17 28.984 2.060 0.821 0.926 0.938 0.625 CA 1.445 17 residues pruned to eliminate duplicates Z: 36 30.108 1.981 0.577 0.689 0.943 0.600 CA 1.454 36 residues pruned to eliminate duplicates Z: 34 32.629 2.050 0.558 0.736 0.970 0.636 CA 1.485 34 residues pruned to eliminate duplicates Z: 18 27.469 2.074 0.769 0.881 0.882 0.765 CA 1.489 18 residues pruned to eliminate duplicates Z: 34 31.719 2.048 0.585 0.724 0.909 0.576 CB 1.528 34 residues pruned to eliminate duplicates Z: 19 28.980 2.022 0.820 0.825 0.944 0.611 CA 1.484 18 residues pruned to eliminate duplicates Z: 18 35.474 2.025 0.895 0.912 1.000 0.882 CA 1.588 18 residues pruned to eliminate duplicates Z: 19 27.935 1.949 0.893 0.897 0.833 0.556 CB 1.533 19 residues pruned to eliminate duplicates Z: 35 30.033 1.981 0.559 0.732 0.912 0.559 CB 1.486 35 residues pruned to eliminate duplicates Z: 34 31.854 2.037 0.616 0.729 0.909 0.636 CA 1.508 34 residues pruned to eliminate duplicates Z: 33 32.871 2.080 0.544 0.755 0.938 0.562 CB 1.538 33 residues pruned to eliminate duplicates Z: 34 32.046 2.067 0.556 0.728 0.939 0.727 CA 1.503 34 residues pruned to eliminate duplicates Z: 62 42.252 2.044 0.570 0.740 0.951 0.623 CB 1.429 62 residues pruned to eliminate duplicates Z: 34 29.452 2.058 0.512 0.723 0.909 0.545 CB 1.482 34 residues pruned to eliminate duplicates Z: 35 30.977 2.028 0.595 0.710 0.912 0.618 CA 1.488 35 residues pruned to eliminate duplicates Z: 34 31.628 2.044 0.583 0.725 0.939 0.545 CA 1.479 34 residues pruned to eliminate duplicates Z: 35 31.302 2.014 0.597 0.708 0.941 0.647 CA 1.468 35 residues pruned to eliminate duplicates Z: 61 44.261 2.063 0.588 0.782 0.933 0.583 CB 1.458 61 residues pruned to eliminate duplicates Z: 60 43.495 2.065 0.573 0.762 0.949 0.576 CB 1.456 60 residues pruned to eliminate duplicates Z: 16 15.825 2.016 0.628 0.595 0.867 0.400 CB 1.312 16 residues pruned to eliminate duplicates Z: 60 42.069 2.040 0.632 0.765 0.932 0.542 CB 1.395 60 residues pruned to eliminate duplicates Z: 44 31.019 2.042 0.500 0.763 0.953 0.674 CB 1.282 44 residues pruned to eliminate duplicates Z: 62 43.067 2.054 0.576 0.779 0.934 0.557 CB 1.426 62 residues pruned to eliminate duplicates Z: 44 30.959 2.022 0.473 0.757 0.953 0.605 CB 1.323 44 residues pruned to eliminate duplicates Z: 62 43.544 2.052 0.667 0.746 0.934 0.492 CB 1.399 62 residues pruned to eliminate duplicates Z: 61 43.991 2.052 0.635 0.744 0.967 0.533 CB 1.408 61 residues pruned to eliminate duplicates Z: 59 33.631 1.996 0.577 0.695 0.914 0.414 CB 1.284 59 residues pruned to eliminate duplicates Z: 123 58.685 2.071 0.635 0.666 0.943 0.664 CB 1.428 123 residues pruned to eliminate duplicates Z: 45 30.652 2.018 0.534 0.703 0.909 0.568 CB 1.364 45 residues pruned to eliminate duplicates Z: 60 40.610 2.028 0.669 0.761 0.932 0.475 CB 1.329 60 residues pruned to eliminate duplicates Z: 50 30.246 2.041 0.520 0.711 0.878 0.531 CB 1.311 50 residues pruned to eliminate duplicates Z: 67 49.634 2.072 0.713 0.739 0.970 0.576 CB 1.433 67 residues pruned to eliminate duplicates Z: 42 30.894 2.086 0.471 0.755 0.927 0.561 CB 1.352 42 residues pruned to eliminate duplicates Z: 62 43.518 2.044 0.590 0.783 0.951 0.672 CB 1.405 62 residues pruned to eliminate duplicates Z: 121 51.931 2.064 0.626 0.631 0.908 0.550 CB 1.375 121 residues pruned to eliminate duplicates Z: 61 44.261 2.083 0.558 0.791 0.933 0.600 CB 1.461 61 residues pruned to eliminate duplicates Z: 65 43.105 2.063 0.572 0.721 0.953 0.625 CB 1.428 65 residues pruned to eliminate duplicates Z: 65 40.954 1.991 0.649 0.727 0.953 0.625 CB 1.333 65 residues pruned to eliminate duplicates Z: 60 44.369 2.074 0.628 0.800 0.898 0.593 CB 1.465 60 residues pruned to eliminate duplicates Z: 46 28.121 2.019 0.434 0.696 0.889 0.644 CB 1.362 46 residues pruned to eliminate duplicates Z: 69 45.860 2.067 0.553 0.737 0.941 0.647 CB 1.488 69 residues pruned to eliminate duplicates Z: 66 44.052 2.070 0.553 0.749 0.954 0.600 CB 1.427 66 residues pruned to eliminate duplicates Z: 26 23.698 1.943 0.558 0.626 0.920 0.720 CB 1.512 26 residues pruned to eliminate duplicates Z: 16 21.879 2.023 0.534 0.788 0.933 0.733 CB 1.514 16 residues pruned to eliminate duplicates Z: 61 46.776 2.084 0.684 0.779 0.917 0.583 CB 1.468 61 residues pruned to eliminate duplicates Z: 132 60.532 2.092 0.670 0.655 0.901 0.641 CB 1.455 133 residues pruned to eliminate duplicates Z: 13 20.587 1.928 0.727 0.874 0.917 0.750 CA 1.417 13 residues pruned to eliminate duplicates Z: 21 24.820 2.123 0.596 0.678 0.900 0.700 CB 1.545 21 residues pruned to eliminate duplicates Z: 48 36.800 2.091 0.596 0.730 0.915 0.660 CB 1.430 48 residues pruned to eliminate duplicates Z: 68 45.039 2.048 0.602 0.756 0.940 0.552 CB 1.420 65 residues pruned to eliminate duplicates Z: 15 22.600 1.943 0.905 0.701 0.929 0.714 CB 1.463 15 residues pruned to eliminate duplicates Z: 105 48.704 2.096 0.548 0.629 0.933 0.673 CB 1.398 105 residues pruned to eliminate duplicates Z: 67 33.623 2.020 0.542 0.529 0.909 0.636 CB 1.420 67 residues pruned to eliminate duplicates Z: 72 39.381 2.086 0.593 0.588 0.901 0.634 CB 1.435 72 residues pruned to eliminate duplicates Z: 58 39.482 2.072 0.601 0.589 0.965 0.632 CB 1.500 58 residues pruned to eliminate duplicates Z: 65 39.324 2.107 0.511 0.619 0.906 0.672 CB 1.522 65 residues pruned to eliminate duplicates Z: 43 33.493 2.058 0.599 0.620 0.976 0.738 CB 1.437 43 residues pruned to eliminate duplicates Z: 123 63.273 2.088 0.664 0.670 0.951 0.689 CB 1.483 123 residues pruned to eliminate duplicates Z: 110 52.151 2.108 0.598 0.658 0.917 0.679 CB 1.395 110 residues pruned to eliminate duplicates Z: 123 55.996 2.063 0.658 0.641 0.926 0.607 CB 1.402 123 residues pruned to eliminate duplicates Z: 65 39.182 2.079 0.701 0.541 0.906 0.672 CB 1.468 65 residues pruned to eliminate duplicates Z: 73 41.089 2.069 0.635 0.589 0.944 0.597 CB 1.392 73 residues pruned to eliminate duplicates Z: 66 40.280 2.112 0.596 0.560 0.954 0.754 CB 1.466 66 residues pruned to eliminate duplicates Z: 73 38.420 2.083 0.562 0.585 0.889 0.611 CB 1.443 73 residues pruned to eliminate duplicates Z: 93 49.319 2.051 0.666 0.709 0.913 0.609 CB 1.363 93 residues pruned to eliminate duplicates Z: 68 44.049 2.118 0.696 0.620 0.925 0.687 CB 1.445 68 residues pruned to eliminate duplicates Z: 57 38.759 2.085 0.631 0.563 0.964 0.714 CB 1.485 57 residues pruned to eliminate duplicates Z: 55 31.143 1.988 0.604 0.537 0.907 0.611 CB 1.412 55 residues pruned to eliminate duplicates Z: 50 29.918 1.971 0.479 0.539 0.959 0.510 CB 1.472 50 residues pruned to eliminate duplicates Z: 123 61.397 2.082 0.657 0.671 0.951 0.664 CB 1.448 125 residues pruned to eliminate duplicates Z: 6 3.307 1.779 0.082 0.337 0.800 0.800 CB 1.148 Z: 7 5.721 1.447 0.857 0.479 1.000 0.500 C 0.887 Z: 6 8.250 1.677 0.796 0.383 1.000 0.800 N 1.388 6 residues pruned to eliminate duplicates Z: 58 39.679 2.085 0.718 0.550 0.947 0.719 CB 1.476 58 residues pruned to eliminate duplicates Z: 59 39.152 2.075 0.639 0.589 0.948 0.621 CB 1.463 59 residues pruned to eliminate duplicates Z: 121 54.084 2.090 0.598 0.631 0.925 0.508 CB 1.413 121 residues pruned to eliminate duplicates Z: 130 62.242 2.095 0.629 0.666 0.953 0.581 CB 1.443 143 residues pruned to eliminate duplicates Z: 13 19.641 2.065 0.502 0.823 1.000 0.917 CB 1.381 13 residues pruned to eliminate duplicates Z: 74 33.412 1.983 0.652 0.497 0.877 0.534 CB 1.366 74 residues pruned to eliminate duplicates Z: 39 32.374 2.098 0.595 0.521 0.974 0.711 CB 1.578 39 residues pruned to eliminate duplicates Z: 123 55.346 2.081 0.586 0.649 0.926 0.623 CB 1.426 123 residues pruned to eliminate duplicates Z: 59 37.779 2.066 0.684 0.576 0.897 0.586 CB 1.479 59 residues pruned to eliminate duplicates Z: 68 36.895 2.051 0.687 0.526 0.910 0.522 CB 1.395 68 residues pruned to eliminate duplicates Z: 23 22.663 2.053 0.684 0.509 0.909 0.591 CB 1.524 23 residues pruned to eliminate duplicates Z: 48 34.375 2.123 0.648 0.551 0.915 0.489 CB 1.491 48 residues pruned to eliminate duplicates Z: 107 52.104 2.103 0.594 0.643 0.915 0.642 CB 1.443 107 residues pruned to eliminate duplicates Z: 21 23.911 2.115 0.588 0.530 1.000 0.650 CA 1.546 21 residues pruned to eliminate duplicates Z: 33 22.788 1.947 0.628 0.433 0.906 0.656 CB 1.503 33 residues pruned to eliminate duplicates Z: 30 27.621 2.099 0.520 0.537 0.966 0.586 CB 1.605 30 residues pruned to eliminate duplicates Z: 131 59.411 2.070 0.606 0.636 0.946 0.585 CB 1.458 131 residues pruned to eliminate duplicates Z: 6 3.453 1.670 0.295 0.344 0.800 0.600 CA 1.058 6 residues pruned to eliminate duplicates Z: 60 37.863 2.051 0.627 0.573 0.949 0.576 CB 1.450 60 residues pruned to eliminate duplicates Z: 52 33.607 2.086 0.538 0.545 0.922 0.529 CB 1.524 52 residues pruned to eliminate duplicates Z: 72 43.679 2.118 0.699 0.583 0.930 0.563 CB 1.431 72 residues pruned to eliminate duplicates Z: 49 33.610 2.107 0.723 0.507 0.896 0.521 CB 1.482 49 residues pruned to eliminate duplicates Z: 40 28.649 2.053 0.629 0.454 0.949 0.513 CA 1.515 40 residues pruned to eliminate duplicates Z: 105 49.875 2.075 0.599 0.616 0.942 0.577 CB 1.402 105 residues pruned to eliminate duplicates Z: 39 30.718 2.117 0.525 0.524 0.974 0.553 CB 1.548 39 residues pruned to eliminate duplicates Z: 124 63.197 2.082 0.723 0.655 0.967 0.691 CB 1.421 123 residues pruned to eliminate duplicates Z: 9 13.504 2.151 0.631 0.500 0.875 0.625 CB 1.554 9 residues pruned to eliminate duplicates Z: 77 48.674 2.114 0.677 0.583 0.974 0.645 CB 1.494 77 residues pruned to eliminate duplicates Z: 52 26.166 1.972 0.552 0.486 0.902 0.529 CB 1.345 52 residues pruned to eliminate duplicates Z: 53 34.705 2.127 0.586 0.561 0.904 0.596 CB 1.487 53 residues pruned to eliminate duplicates Z: 138 59.495 2.075 0.662 0.652 0.920 0.577 CB 1.391 138 residues pruned to eliminate duplicates Z: 135 60.333 2.096 0.670 0.653 0.918 0.597 CB 1.408 136 residues pruned to eliminate duplicates Z: 12 18.208 2.277 0.581 0.862 0.727 0.364 CB 1.539 12 residues pruned to eliminate duplicates Z: 129 59.262 2.080 0.668 0.674 0.906 0.562 CB 1.419 129 residues pruned to eliminate duplicates Z: 138 57.984 2.057 0.624 0.646 0.927 0.599 CB 1.395 138 residues pruned to eliminate duplicates Z: 53 32.795 2.097 0.662 0.506 0.923 0.404 CB 1.405 53 residues pruned to eliminate duplicates Z: 140 57.169 2.054 0.634 0.631 0.914 0.525 CB 1.398 140 residues pruned to eliminate duplicates Z: 67 38.850 2.013 0.641 0.589 0.924 0.515 CB 1.439 67 residues pruned to eliminate duplicates Z: 27 41.847 2.251 0.868 0.745 0.962 0.846 CA 1.630 27 residues pruned to eliminate duplicates Z: 27 38.812 2.243 0.698 0.747 1.000 0.731 CA 1.602 27 residues pruned to eliminate duplicates Z: 28 30.208 2.176 0.479 0.717 0.963 0.852 CA 1.541 28 residues pruned to eliminate duplicates Z: 28 31.048 2.189 0.502 0.726 0.926 0.778 CB 1.601 28 residues pruned to eliminate duplicates Z: 19 25.029 2.259 0.426 0.605 1.000 0.556 CA 1.657 19 residues pruned to eliminate duplicates Z: 28 36.944 2.202 0.803 0.706 0.963 0.778 CB 1.542 28 residues pruned to eliminate duplicates Z: 27 39.863 2.260 0.749 0.755 0.962 0.731 CA 1.639 27 residues pruned to eliminate duplicates Z: 24 27.695 2.223 0.710 0.560 0.913 0.652 CA 1.570 24 residues pruned to eliminate duplicates Z: 28 36.569 2.193 0.686 0.728 0.963 0.667 CA 1.609 28 residues pruned to eliminate duplicates Z: 28 32.906 2.194 0.633 0.712 0.926 0.815 CA 1.574 28 residues pruned to eliminate duplicates Z: 29 34.916 2.127 0.650 0.758 0.964 0.750 CA 1.550 29 residues pruned to eliminate duplicates Z: 27 42.740 2.260 0.848 0.742 1.000 0.654 CB 1.616 27 residues pruned to eliminate duplicates Z: 28 31.206 2.179 0.458 0.732 1.000 0.778 CA 1.534 28 residues pruned to eliminate duplicates Z: 28 35.151 2.173 0.726 0.726 0.963 0.741 CB 1.527 28 residues pruned to eliminate duplicates Z: 27 41.713 2.249 0.806 0.748 1.000 0.769 CA 1.614 27 residues pruned to eliminate duplicates Z: 29 32.469 2.129 0.721 0.700 0.929 0.607 CB 1.503 29 residues pruned to eliminate duplicates Z: 28 34.399 2.184 0.653 0.709 0.963 0.667 CA 1.575 28 residues pruned to eliminate duplicates Z: 29 37.390 2.139 0.854 0.725 0.929 0.714 CA 1.567 29 residues pruned to eliminate duplicates Z: 28 35.718 2.190 0.749 0.726 0.926 0.667 CB 1.582 28 residues pruned to eliminate duplicates Z: 29 39.156 2.148 0.884 0.730 0.929 0.679 CB 1.600 29 residues pruned to eliminate duplicates Z: 21 45.263 2.167 1.193 0.909 1.000 0.600 CB 1.511 21 residues pruned to eliminate duplicates Z: 20 39.691 2.264 0.921 0.908 1.000 0.632 CA 1.486 20 residues pruned to eliminate duplicates Z: 28 34.506 2.188 0.629 0.729 0.963 0.704 CB 1.574 28 residues pruned to eliminate duplicates Z: 28 39.741 2.183 0.787 0.740 1.000 0.630 CB 1.582 28 residues pruned to eliminate duplicates Z: 27 39.982 2.224 0.844 0.725 0.962 0.692 CB 1.623 28 residues pruned to eliminate duplicates Z: 11 10.504 1.730 0.371 0.862 1.000 0.600 CB 1.028 Z: 11 8.870 1.643 0.339 0.890 1.000 0.900 CB 0.917 11 residues pruned to eliminate duplicates Z: 12 7.163 1.629 0.391 0.790 0.909 0.909 CB 0.813 12 residues pruned to eliminate duplicates Z: 13 9.387 1.619 0.459 0.819 0.917 0.750 CB 0.949 12 residues pruned to eliminate duplicates Z: 10 10.190 1.735 0.541 0.901 1.000 0.778 CB 0.907 11 residues pruned to eliminate duplicates Z: 11 10.527 1.708 0.562 0.793 1.000 0.800 CB 0.965 9 residues pruned to eliminate duplicates Z: 11 9.393 1.662 0.564 0.891 1.000 0.800 CB 0.822 11 residues pruned to eliminate duplicates Z: 13 7.393 1.548 0.616 0.740 1.000 0.667 CB 0.688 13 residues pruned to eliminate duplicates Z: 11 8.681 1.636 0.407 0.801 1.000 0.800 CB 0.917 11 residues pruned to eliminate duplicates Z: 13 9.619 1.622 0.525 0.810 1.000 0.750 CB 0.856 13 residues pruned to eliminate duplicates Z: 11 9.285 1.696 0.529 0.876 0.900 0.800 CB 0.914 11 residues pruned to eliminate duplicates Z: 6 4.156 1.465 0.700 0.349 1.000 1.000 CA 0.879 6 residues pruned to eliminate duplicates Z: 18 13.644 2.033 0.528 0.274 0.941 0.353 CA 1.462 18 residues pruned to eliminate duplicates Z: 19 11.553 1.991 0.307 0.278 0.889 0.333 CB 1.513 19 residues pruned to eliminate duplicates Z: 34 29.140 2.063 0.800 0.569 0.909 0.515 CA 1.406 34 residues pruned to eliminate duplicates Z: 27 28.007 2.204 0.756 0.487 0.962 0.577 CB 1.495 27 residues pruned to eliminate duplicates Z: 17 14.306 2.170 0.630 0.282 0.875 0.438 CB 1.477 17 residues pruned to eliminate duplicates Z: 71 40.291 2.072 0.657 0.511 0.957 0.557 CB 1.450 89 residues pruned to eliminate duplicates Z: 6 8.456 1.981 0.322 0.575 1.000 0.600 CB 1.344 6 residues pruned to eliminate duplicates Z: 17 15.482 2.099 0.490 0.318 1.000 0.625 CB 1.514 17 residues pruned to eliminate duplicates Z: 33 27.070 2.085 0.754 0.559 0.969 0.438 CB 1.275 33 residues pruned to eliminate duplicates Z: 31 22.603 1.997 0.857 0.463 0.867 0.500 CB 1.333 31 residues pruned to eliminate duplicates Z: 34 26.828 2.072 0.676 0.572 0.909 0.515 CB 1.380 34 residues pruned to eliminate duplicates Z: 32 29.039 2.150 0.708 0.574 0.935 0.613 CB 1.413 32 residues pruned to eliminate duplicates Z: 32 28.627 2.142 0.671 0.585 0.968 0.677 CB 1.367 32 residues pruned to eliminate duplicates Z: 32 29.871 2.148 0.721 0.583 0.935 0.677 CB 1.433 32 residues pruned to eliminate duplicates Z: 18 32.759 2.057 1.169 0.905 1.000 0.647 CB 1.267 18 residues pruned to eliminate duplicates Z: 18 27.814 2.029 0.976 0.904 1.000 0.412 CB 1.198 18 residues pruned to eliminate duplicates Z: 33 29.822 2.109 0.676 0.618 0.969 0.531 CB 1.377 33 residues pruned to eliminate duplicates Z: 33 26.284 2.041 0.611 0.626 0.938 0.531 CB 1.339 33 residues pruned to eliminate duplicates Z: 32 32.952 2.167 0.811 0.596 0.968 0.452 CB 1.422 32 residues pruned to eliminate duplicates Z: 17 27.572 2.121 0.925 0.893 0.938 0.562 CB 1.293 17 residues pruned to eliminate duplicates Z: 32 27.503 2.108 0.791 0.606 0.935 0.484 CB 1.265 32 residues pruned to eliminate duplicates Z: 67 40.425 2.063 0.674 0.537 0.955 0.576 CA 1.457 67 residues pruned to eliminate duplicates Z: 33 32.402 2.120 0.737 0.619 0.938 0.625 CA 1.483 33 residues pruned to eliminate duplicates Z: 68 40.122 2.053 0.676 0.564 0.910 0.612 CB 1.471 68 residues pruned to eliminate duplicates Z: 33 32.315 2.098 0.780 0.605 0.969 0.688 CB 1.429 33 residues pruned to eliminate duplicates Z: 17 32.875 2.106 1.013 0.902 1.000 0.750 CB 1.383 17 residues pruned to eliminate duplicates Z: 33 30.552 2.090 0.723 0.639 0.938 0.594 CB 1.404 33 residues pruned to eliminate duplicates Z: 32 32.332 2.131 0.800 0.611 0.968 0.516 CB 1.408 32 residues pruned to eliminate duplicates Z: 18 7.524 1.934 0.252 0.310 0.824 0.588 CB 1.130 Z: 6 7.368 1.934 1.158 0.289 0.800 0.600 CA 1.251 6 residues pruned to eliminate duplicates Z: 31 25.091 1.987 0.657 0.566 0.933 0.600 CB 1.399 9 residues pruned to eliminate duplicates Z: 6 6.429 1.564 0.997 0.430 0.800 0.000 O 1.238 6 residues pruned to eliminate duplicates Z: 24 20.834 1.924 0.622 0.578 0.957 0.609 CB 1.351 24 residues pruned to eliminate duplicates Z: 23 19.851 1.826 0.544 0.693 0.909 0.636 CA 1.384 23 residues pruned to eliminate duplicates Z: 24 21.820 1.882 0.600 0.697 0.913 0.696 CA 1.382 23 residues pruned to eliminate duplicates Z: 20 16.994 1.699 0.474 0.783 0.947 0.842 CB 1.281 20 residues pruned to eliminate duplicates Z: 20 11.707 1.929 0.674 0.393 0.789 0.579 CA 1.179 20 residues pruned to eliminate duplicates Z: 77 37.486 1.988 0.722 0.502 0.895 0.553 CB 1.402 118 residues pruned to eliminate duplicates Z: 19 15.038 1.899 0.613 0.456 0.944 0.556 CA 1.282 Z: 14 14.956 1.787 0.506 0.847 1.000 0.923 CB 1.144 13 residues pruned to eliminate duplicates Z: 17 15.352 1.766 0.472 0.845 0.938 0.625 CA 1.171 15 residues pruned to eliminate duplicates Z: 18 20.020 1.753 0.525 0.902 1.000 0.765 CB 1.295 16 residues pruned to eliminate duplicates Z: 17 22.053 1.833 0.760 0.923 1.000 0.562 CB 1.202 17 residues pruned to eliminate duplicates Z: 16 22.162 1.903 0.609 0.876 1.000 0.733 CA 1.359 18 residues pruned to eliminate duplicates Z: 20 18.662 1.683 0.666 0.861 0.947 0.526 CB 1.185 18 residues pruned to eliminate duplicates Z: 18 21.371 1.787 0.729 0.887 1.000 0.588 CB 1.209 18 residues pruned to eliminate duplicates Z: 16 22.427 1.927 0.619 0.871 1.000 0.400 CB 1.354 16 residues pruned to eliminate duplicates Z: 18 21.550 1.810 0.737 0.858 1.000 0.765 CB 1.225 18 residues pruned to eliminate duplicates Z: 17 23.378 1.818 0.969 0.899 1.000 0.188 CB 1.167 17 residues pruned to eliminate duplicates Z: 17 23.850 1.810 0.973 0.877 1.000 0.188 CB 1.212 18 residues pruned to eliminate duplicates Z: 16 19.079 1.861 0.919 0.861 0.867 0.267 CB 1.169 16 residues pruned to eliminate duplicates Z: 17 18.631 1.754 0.968 0.817 0.812 0.125 CB 1.262 17 residues pruned to eliminate duplicates 378 residues left after pruning, divided into chains as follows: A: 161 B: 9 C: 152 D: 23 E: 33 CC for partial structure against native data = 39.18 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.388, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.441, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.764 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.766 for dens.mod. cycle 4 = 0.300, Contrast = 0.553, Connect. = 0.768 for dens.mod. cycle 5 = 0.300, Contrast = 0.559, Connect. = 0.770 for dens.mod. cycle 6 = 0.300, Contrast = 0.566, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2310 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 510 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 42.583 2.282 0.942 0.906 1.000 0.684 CA 1.567 B: 70 43.877 2.139 0.809 0.539 0.928 0.594 CB 1.416 C: 21 36.069 2.188 0.736 0.891 1.000 0.550 CB 1.526 21 residues pruned to eliminate duplicates D: 35 22.039 1.996 0.730 0.520 0.882 0.382 CB 1.217 E: 15 23.132 2.059 0.273 0.932 1.000 1.000 CB 1.647 F: 13 25.777 2.103 0.778 0.877 0.917 0.667 CA 1.576 G: 20 41.591 2.278 0.858 0.918 1.000 1.000 CA 1.591 20 residues pruned to eliminate duplicates H: 72 38.098 2.112 0.626 0.552 0.930 0.690 CB 1.346 72 residues pruned to eliminate duplicates I: 15 15.320 1.810 0.377 0.848 1.000 0.857 CA 1.219 J: 91 48.984 2.149 0.723 0.566 0.933 0.533 CB 1.402 85 residues pruned to eliminate duplicates K: 17 23.938 2.038 0.360 0.872 1.000 0.812 CB 1.574 15 residues pruned to eliminate duplicates L: 61 39.673 2.113 0.734 0.548 0.933 0.700 CB 1.429 61 residues pruned to eliminate duplicates M: 21 22.728 1.943 0.462 0.873 0.950 0.700 CB 1.371 N: 21 37.587 2.219 0.907 0.893 0.900 0.550 CB 1.585 21 residues pruned to eliminate duplicates O: 17 24.450 2.004 0.379 0.920 1.000 0.812 CB 1.558 17 residues pruned to eliminate duplicates P: 13 20.807 2.064 0.565 0.822 0.917 0.583 CB 1.534 13 residues pruned to eliminate duplicates Q: 14 21.826 2.059 0.396 0.865 1.000 0.769 CB 1.543 R: 34 26.589 2.042 0.606 0.642 0.909 0.545 CB 1.360 21 residues pruned to eliminate duplicates S: 13 15.983 1.907 0.407 0.932 1.000 0.750 CA 1.201 14 residues pruned to eliminate duplicates T: 59 35.964 2.043 0.686 0.537 0.897 0.552 CB 1.474 U: 21 31.183 2.193 0.622 0.889 0.950 0.750 CA 1.486 21 residues pruned to eliminate duplicates V: 20 24.289 2.004 0.415 0.885 1.000 0.789 CB 1.418 21 residues pruned to eliminate duplicates W: 20 16.369 1.923 0.076 0.915 1.000 0.737 CA 1.282 20 residues pruned to eliminate duplicates X: 10 15.125 1.933 0.359 0.895 1.000 0.556 CB 1.376 Y: 12 26.206 2.133 0.787 0.890 1.000 0.727 CB 1.491 12 residues pruned to eliminate duplicates Z: 18 20.434 1.957 0.350 0.908 0.941 0.706 CB 1.415 18 residues pruned to eliminate duplicates Z: 13 23.377 2.115 0.529 0.910 1.000 0.833 CA 1.480 13 residues pruned to eliminate duplicates Z: 12 24.480 2.087 0.656 0.908 1.000 0.636 CA 1.516 12 residues pruned to eliminate duplicates Z: 89 47.069 2.164 0.682 0.565 0.920 0.625 CB 1.407 87 residues pruned to eliminate duplicates Z: 13 19.438 2.019 0.779 0.809 0.833 0.500 CB 1.431 13 residues pruned to eliminate duplicates Z: 12 25.369 2.247 0.620 0.904 1.000 0.818 CB 1.497 12 residues pruned to eliminate duplicates Z: 35 43.350 2.204 0.945 0.718 0.912 0.647 CB 1.562 35 residues pruned to eliminate duplicates Z: 6 7.408 1.608 0.459 0.788 1.000 0.600 CA 1.097 7 residues pruned to eliminate duplicates Z: 21 38.161 2.207 0.855 0.896 1.000 0.850 CA 1.493 21 residues pruned to eliminate duplicates Z: 17 28.546 1.988 0.700 0.924 1.000 0.750 CB 1.483 17 residues pruned to eliminate duplicates Z: 16 21.922 1.948 0.553 0.907 1.000 0.867 CA 1.330 15 residues pruned to eliminate duplicates Z: 29 29.130 2.070 0.838 0.690 0.893 0.714 CB 1.361 21 residues pruned to eliminate duplicates Z: 14 21.732 1.946 0.818 0.843 0.923 0.692 CA 1.374 14 residues pruned to eliminate duplicates Z: 17 28.566 1.962 0.792 0.908 1.000 0.812 CA 1.443 9 residues pruned to eliminate duplicates Z: 12 27.845 2.241 0.795 0.912 1.000 0.909 CB 1.478 12 residues pruned to eliminate duplicates Z: 13 16.988 2.102 0.294 0.843 0.917 0.833 CA 1.465 13 residues pruned to eliminate duplicates Z: 19 16.888 1.982 0.158 0.918 0.944 0.778 CB 1.296 19 residues pruned to eliminate duplicates Z: 21 17.009 1.827 0.248 0.864 1.000 0.700 CA 1.224 21 residues pruned to eliminate duplicates Z: 12 22.421 2.126 0.510 0.899 1.000 0.636 CB 1.504 12 residues pruned to eliminate duplicates Z: 13 24.551 2.158 0.544 0.898 1.000 0.750 CB 1.522 13 residues pruned to eliminate duplicates Z: 15 18.791 1.870 0.405 0.899 1.000 0.786 CA 1.365 14 residues pruned to eliminate duplicates Z: 21 39.737 2.183 0.949 0.904 0.950 0.500 CB 1.566 20 residues pruned to eliminate duplicates Z: 15 24.057 1.987 0.497 0.932 1.000 0.714 CB 1.510 15 residues pruned to eliminate duplicates Z: 13 21.139 2.113 0.744 0.873 0.917 0.417 CB 1.316 13 residues pruned to eliminate duplicates Z: 43 32.371 2.077 0.528 0.593 1.000 0.571 CB 1.440 36 residues pruned to eliminate duplicates Z: 130 61.490 2.102 0.613 0.666 0.930 0.605 CB 1.472 79 residues pruned to eliminate duplicates Z: 21 42.448 2.184 1.028 0.887 1.000 0.550 CB 1.545 21 residues pruned to eliminate duplicates Z: 19 25.606 1.975 0.652 0.933 0.944 0.833 CB 1.368 20 residues pruned to eliminate duplicates Z: 13 21.073 2.092 0.278 0.852 1.000 0.667 CA 1.684 13 residues pruned to eliminate duplicates Z: 13 24.553 2.158 0.752 0.856 1.000 0.500 CB 1.383 13 residues pruned to eliminate duplicates Z: 46 29.192 2.022 0.642 0.490 0.911 0.622 CB 1.453 46 residues pruned to eliminate duplicates Z: 16 21.687 1.915 0.588 0.894 0.933 0.800 CB 1.415 16 residues pruned to eliminate duplicates Z: 12 22.065 2.202 0.302 0.900 1.000 0.909 CB 1.658 12 residues pruned to eliminate duplicates Z: 25 23.608 2.132 0.726 0.627 0.833 0.667 CB 1.395 25 residues pruned to eliminate duplicates Z: 101 53.125 2.097 0.663 0.645 0.930 0.660 CB 1.431 101 residues pruned to eliminate duplicates Z: 14 21.152 2.008 0.545 0.893 0.923 0.692 CB 1.471 14 residues pruned to eliminate duplicates Z: 17 17.058 2.019 0.406 0.871 1.000 0.750 CA 1.096 17 residues pruned to eliminate duplicates Z: 7 9.866 2.072 0.222 0.820 1.000 0.833 CB 1.206 7 residues pruned to eliminate duplicates Z: 21 22.647 1.910 0.597 0.832 0.900 0.600 CB 1.384 21 residues pruned to eliminate duplicates Z: 13 15.862 2.000 0.278 0.873 1.000 0.833 CB 1.305 13 residues pruned to eliminate duplicates Z: 12 22.658 2.074 0.611 0.897 1.000 0.818 CB 1.464 12 residues pruned to eliminate duplicates Z: 20 35.443 2.222 1.142 0.871 0.842 0.474 CB 1.480 20 residues pruned to eliminate duplicates Z: 17 26.495 2.058 0.797 0.921 1.000 0.875 CB 1.260 17 residues pruned to eliminate duplicates Z: 19 23.321 2.109 0.351 0.877 0.944 0.778 CB 1.484 19 residues pruned to eliminate duplicates Z: 12 24.200 2.002 0.894 0.877 1.000 0.727 CA 1.397 12 residues pruned to eliminate duplicates Z: 13 26.308 2.120 0.770 0.851 0.917 0.667 CB 1.634 13 residues pruned to eliminate duplicates Z: 19 24.112 2.091 0.574 0.893 0.889 0.667 CB 1.395 19 residues pruned to eliminate duplicates Z: 47 28.017 2.080 0.554 0.605 0.870 0.652 CB 1.331 47 residues pruned to eliminate duplicates Z: 11 14.652 2.006 0.268 0.891 0.900 0.900 CB 1.454 11 residues pruned to eliminate duplicates Z: 12 24.950 2.174 0.436 0.905 1.000 0.727 CA 1.715 12 residues pruned to eliminate duplicates Z: 18 48.934 2.340 1.314 0.915 1.000 0.529 CB 1.550 19 residues pruned to eliminate duplicates Z: 20 36.063 2.261 0.657 0.896 1.000 0.842 CA 1.583 20 residues pruned to eliminate duplicates Z: 21 30.105 2.174 0.601 0.882 0.950 0.700 CA 1.473 21 residues pruned to eliminate duplicates Z: 86 46.012 2.098 0.573 0.655 0.929 0.671 CB 1.409 86 residues pruned to eliminate duplicates Z: 7 4.149 1.977 -0.340 0.783 1.000 0.500 CB 1.011 7 residues pruned to eliminate duplicates Z: 11 23.954 2.251 0.613 0.910 1.000 0.500 CB 1.480 11 residues pruned to eliminate duplicates Z: 13 26.218 2.121 0.589 0.898 1.000 0.583 CB 1.606 13 residues pruned to eliminate duplicates Z: 22 29.289 2.193 0.825 0.662 0.905 0.714 CB 1.518 22 residues pruned to eliminate duplicates Z: 21 23.585 1.914 0.484 0.861 1.000 0.750 CB 1.364 21 residues pruned to eliminate duplicates Z: 68 41.838 2.137 0.754 0.560 0.955 0.478 CB 1.347 68 residues pruned to eliminate duplicates Z: 14 21.632 1.975 0.566 0.847 1.000 0.538 CB 1.440 14 residues pruned to eliminate duplicates Z: 17 21.007 1.993 0.360 0.900 0.938 0.625 CB 1.476 17 residues pruned to eliminate duplicates Z: 21 34.167 2.173 0.660 0.891 1.000 0.800 CA 1.523 21 residues pruned to eliminate duplicates Z: 61 39.818 2.081 0.636 0.554 0.950 0.583 CB 1.508 61 residues pruned to eliminate duplicates Z: 12 21.055 2.114 0.391 0.865 1.000 0.727 CB 1.581 12 residues pruned to eliminate duplicates Z: 13 30.781 2.151 0.844 0.896 1.000 0.833 CA 1.604 13 residues pruned to eliminate duplicates Z: 17 20.566 2.048 0.595 0.893 0.938 0.875 CA 1.205 18 residues pruned to eliminate duplicates Z: 13 17.402 2.019 0.424 0.855 0.917 0.833 CA 1.407 13 residues pruned to eliminate duplicates Z: 6 5.619 1.744 0.001 0.864 1.000 0.800 CA 1.055 6 residues pruned to eliminate duplicates Z: 12 18.844 2.120 0.310 0.856 1.000 0.727 CA 1.509 12 residues pruned to eliminate duplicates Z: 32 30.406 2.016 0.623 0.765 0.935 0.484 CA 1.410 34 residues pruned to eliminate duplicates Z: 66 45.586 2.077 0.707 0.715 0.908 0.477 CB 1.447 64 residues pruned to eliminate duplicates Z: 12 15.568 2.053 0.111 0.913 1.000 1.000 CB 1.456 12 residues pruned to eliminate duplicates Z: 17 31.069 1.973 0.887 0.888 1.000 0.688 CB 1.503 17 residues pruned to eliminate duplicates Z: 13 21.272 2.132 0.304 0.838 1.000 0.667 CB 1.652 13 residues pruned to eliminate duplicates Z: 31 25.723 2.004 0.670 0.670 0.900 0.500 CA 1.332 32 residues pruned to eliminate duplicates Z: 20 23.158 1.900 0.568 0.902 0.895 0.737 CB 1.422 20 residues pruned to eliminate duplicates Z: 32 32.162 2.123 0.795 0.630 0.968 0.677 CB 1.387 34 residues pruned to eliminate duplicates Z: 18 27.523 2.062 0.917 0.892 0.882 0.353 CB 1.375 18 residues pruned to eliminate duplicates Z: 16 9.747 1.981 0.221 0.442 0.867 0.600 CB 1.275 16 residues pruned to eliminate duplicates Z: 12 19.952 2.032 0.640 0.936 0.909 0.636 CB 1.382 12 residues pruned to eliminate duplicates Z: 20 29.401 2.185 0.534 0.885 1.000 0.789 CA 1.452 20 residues pruned to eliminate duplicates Z: 18 22.524 2.095 0.345 0.921 0.941 0.647 CB 1.449 18 residues pruned to eliminate duplicates Z: 19 26.811 1.895 0.913 0.897 1.000 0.667 CA 1.248 19 residues pruned to eliminate duplicates Z: 75 41.067 2.137 0.616 0.543 0.932 0.568 CB 1.421 75 residues pruned to eliminate duplicates Z: 10 11.247 1.827 0.169 0.896 1.000 1.000 CA 1.258 10 residues pruned to eliminate duplicates Z: 8 9.340 1.909 0.162 0.853 1.000 1.000 CB 1.176 8 residues pruned to eliminate duplicates Z: 19 27.471 1.904 0.890 0.864 0.944 0.722 CA 1.396 19 residues pruned to eliminate duplicates Z: 21 30.607 2.153 0.724 0.847 0.950 0.750 CB 1.441 21 residues pruned to eliminate duplicates Z: 52 34.628 2.079 0.546 0.702 0.902 0.569 CB 1.392 52 residues pruned to eliminate duplicates Z: 15 24.761 1.959 0.912 0.938 0.929 0.357 CA 1.322 15 residues pruned to eliminate duplicates Z: 13 19.394 1.912 0.661 0.836 1.000 0.583 CB 1.320 13 residues pruned to eliminate duplicates Z: 8 6.960 1.631 -0.045 0.848 1.000 0.714 CA 1.253 8 residues pruned to eliminate duplicates Z: 22 35.908 2.113 0.867 0.895 0.952 0.762 CA 1.495 22 residues pruned to eliminate duplicates Z: 13 25.710 2.106 0.630 0.911 1.000 0.917 CA 1.531 13 residues pruned to eliminate duplicates Z: 7 9.207 2.008 0.208 0.853 0.833 0.667 CB 1.374 6 residues pruned to eliminate duplicates Z: 22 24.714 2.070 0.555 0.698 0.952 0.714 CB 1.468 22 residues pruned to eliminate duplicates Z: 28 26.373 2.036 0.630 0.695 0.926 0.815 CB 1.382 28 residues pruned to eliminate duplicates Z: 19 24.377 1.903 0.726 0.865 0.944 0.611 CB 1.356 19 residues pruned to eliminate duplicates Z: 13 24.204 2.155 0.432 0.862 1.000 0.833 CB 1.664 13 residues pruned to eliminate duplicates Z: 18 20.079 1.865 0.392 0.897 1.000 0.882 CB 1.343 18 residues pruned to eliminate duplicates Z: 20 25.710 1.903 0.769 0.900 0.895 0.474 CA 1.399 20 residues pruned to eliminate duplicates Z: 19 9.933 1.825 0.906 0.515 0.889 0.333 CB 0.746 19 residues pruned to eliminate duplicates Z: 12 23.304 2.113 0.631 0.923 1.000 0.909 CA 1.433 12 residues pruned to eliminate duplicates Z: 17 25.832 2.065 0.862 0.894 0.938 0.750 CA 1.285 17 residues pruned to eliminate duplicates Z: 18 23.548 1.993 0.480 0.895 0.941 0.706 CB 1.475 18 residues pruned to eliminate duplicates Z: 16 21.288 1.988 0.175 0.937 1.000 0.867 CB 1.637 16 residues pruned to eliminate duplicates Z: 10 12.937 1.857 0.453 0.847 1.000 0.778 CB 1.186 10 residues pruned to eliminate duplicates Z: 14 23.425 2.026 0.846 0.816 1.000 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 7 3.427 1.432 0.755 0.472 0.833 0.667 CB 0.687 Z: 18 23.770 1.919 0.467 0.930 1.000 0.824 CA 1.433 18 residues pruned to eliminate duplicates Z: 22 39.046 2.127 1.104 0.899 0.952 0.619 CB 1.429 22 residues pruned to eliminate duplicates Z: 17 30.421 2.045 0.988 0.910 0.938 0.938 CA 1.416 17 residues pruned to eliminate duplicates Z: 58 38.024 2.052 0.561 0.768 0.895 0.368 CB 1.386 58 residues pruned to eliminate duplicates Z: 36 34.843 2.107 0.553 0.800 0.943 0.657 CB 1.469 36 residues pruned to eliminate duplicates Z: 17 27.948 2.010 0.927 0.896 0.875 0.438 CA 1.477 17 residues pruned to eliminate duplicates Z: 14 20.783 2.043 0.282 0.806 1.000 0.769 CA 1.684 14 residues pruned to eliminate duplicates Z: 14 15.622 1.850 0.626 0.818 0.923 0.615 CB 1.184 14 residues pruned to eliminate duplicates Z: 13 22.045 2.125 0.401 0.892 1.000 0.750 CB 1.536 13 residues pruned to eliminate duplicates Z: 16 14.741 1.800 0.319 0.882 0.933 0.867 CA 1.243 16 residues pruned to eliminate duplicates Z: 16 18.152 1.986 0.348 0.898 0.933 0.867 CB 1.341 16 residues pruned to eliminate duplicates Z: 12 19.456 2.167 0.283 0.851 1.000 0.909 CB 1.561 12 residues pruned to eliminate duplicates Z: 20 34.823 2.232 0.906 0.854 0.895 0.737 CB 1.550 20 residues pruned to eliminate duplicates Z: 13 18.022 2.056 0.250 0.916 1.000 1.000 CA 1.430 13 residues pruned to eliminate duplicates Z: 15 16.631 1.911 0.632 0.922 1.000 0.929 CA 1.002 15 residues pruned to eliminate duplicates Z: 13 20.468 2.122 0.668 0.863 0.833 0.583 CB 1.470 13 residues pruned to eliminate duplicates Z: 19 29.036 2.277 0.447 0.918 0.944 0.889 CA 1.551 19 residues pruned to eliminate duplicates Z: 47 38.556 2.157 0.805 0.621 0.870 0.630 CB 1.499 47 residues pruned to eliminate duplicates Z: 55 35.962 2.068 0.603 0.541 0.944 0.593 CB 1.501 55 residues pruned to eliminate duplicates Z: 12 10.480 1.893 0.065 0.942 1.000 1.000 CA 1.087 12 residues pruned to eliminate duplicates Z: 15 22.334 2.025 0.752 0.926 0.929 0.429 CB 1.270 15 residues pruned to eliminate duplicates Z: 13 21.693 2.021 0.813 0.882 0.917 0.417 CB 1.348 13 residues pruned to eliminate duplicates Z: 12 24.313 2.106 0.604 0.880 1.000 1.000 CB 1.572 12 residues pruned to eliminate duplicates Z: 21 22.301 1.823 0.439 0.887 1.000 0.750 CA 1.371 21 residues pruned to eliminate duplicates Z: 18 26.865 1.966 0.883 0.888 0.941 0.706 CB 1.347 18 residues pruned to eliminate duplicates Z: 20 10.629 1.894 0.186 0.382 0.895 0.474 CB 1.376 20 residues pruned to eliminate duplicates Z: 12 14.001 1.906 0.246 0.891 0.909 0.909 CB 1.405 12 residues pruned to eliminate duplicates Z: 17 28.993 1.992 0.935 0.895 0.938 0.812 CA 1.438 17 residues pruned to eliminate duplicates Z: 16 18.346 1.958 0.310 0.900 1.000 0.867 CA 1.318 16 residues pruned to eliminate duplicates Z: 8 7.759 1.865 0.573 0.544 0.714 0.286 CB 1.341 8 residues pruned to eliminate duplicates Z: 17 16.786 2.001 0.314 0.906 1.000 0.938 CA 1.135 17 residues pruned to eliminate duplicates Z: 7 11.585 2.021 0.242 0.890 1.000 0.833 CB 1.356 7 residues pruned to eliminate duplicates Z: 62 44.376 2.033 0.670 0.747 0.951 0.623 CB 1.411 62 residues pruned to eliminate duplicates Z: 14 25.515 1.984 0.760 0.837 0.923 0.846 CB 1.642 14 residues pruned to eliminate duplicates Z: 45 33.166 2.043 0.642 0.555 0.955 0.795 CB 1.480 45 residues pruned to eliminate duplicates Z: 6 5.982 1.592 0.150 0.593 1.000 0.600 N 1.337 6 residues pruned to eliminate duplicates Z: 12 19.504 2.101 0.457 0.914 1.000 1.000 CA 1.359 12 residues pruned to eliminate duplicates Z: 18 22.950 2.021 0.373 0.876 1.000 0.765 CB 1.457 18 residues pruned to eliminate duplicates Z: 25 16.800 2.141 0.455 0.536 0.875 0.708 CB 1.215 25 residues pruned to eliminate duplicates Z: 12 25.273 2.169 0.841 0.836 0.909 0.909 CB 1.571 12 residues pruned to eliminate duplicates Z: 17 32.091 2.017 0.995 0.936 0.938 0.625 CA 1.481 17 residues pruned to eliminate duplicates Z: 8 6.189 1.742 0.828 0.559 0.857 0.714 CB 0.809 Z: 109 49.662 2.118 0.652 0.575 0.926 0.657 CB 1.372 109 residues pruned to eliminate duplicates Z: 17 32.407 2.038 0.973 0.932 1.000 0.812 CB 1.407 17 residues pruned to eliminate duplicates Z: 14 14.301 1.868 0.317 0.868 1.000 0.846 CA 1.179 14 residues pruned to eliminate duplicates Z: 20 20.543 1.935 0.535 0.883 0.895 0.579 CB 1.282 20 residues pruned to eliminate duplicates Z: 7 4.479 1.797 0.160 0.502 0.833 0.833 CB 1.050 7 residues pruned to eliminate duplicates Z: 60 35.806 2.123 0.572 0.527 0.949 0.525 CB 1.433 60 residues pruned to eliminate duplicates Z: 48 27.725 2.005 0.553 0.489 0.894 0.511 CB 1.469 48 residues pruned to eliminate duplicates Z: 13 21.718 2.032 0.845 0.809 0.917 0.500 CB 1.393 13 residues pruned to eliminate duplicates Z: 16 24.768 1.955 0.522 0.922 1.000 0.733 CB 1.512 16 residues pruned to eliminate duplicates Z: 125 55.205 2.074 0.588 0.658 0.927 0.605 CB 1.402 125 residues pruned to eliminate duplicates Z: 9 16.905 2.164 0.812 0.582 0.875 0.875 CB 1.610 9 residues pruned to eliminate duplicates Z: 13 21.878 2.070 0.566 0.897 1.000 0.667 CB 1.395 13 residues pruned to eliminate duplicates Z: 15 18.258 1.882 0.974 0.826 0.857 0.429 CB 1.155 13 residues pruned to eliminate duplicates Z: 9 5.508 1.448 0.494 0.356 1.000 0.500 CB 1.052 9 residues pruned to eliminate duplicates Z: 19 17.951 2.045 0.190 0.870 0.944 0.722 CB 1.344 19 residues pruned to eliminate duplicates Z: 35 22.811 1.985 0.599 0.594 0.824 0.676 CB 1.369 35 residues pruned to eliminate duplicates Z: 17 16.444 1.959 0.520 0.912 0.938 0.750 CB 1.043 17 residues pruned to eliminate duplicates Z: 17 27.542 2.039 0.721 0.933 0.938 0.750 CB 1.460 17 residues pruned to eliminate duplicates Z: 10 14.687 1.907 0.256 0.910 1.000 0.889 CA 1.450 10 residues pruned to eliminate duplicates Z: 9 7.945 1.937 0.742 0.410 0.750 0.750 CA 1.219 9 residues pruned to eliminate duplicates Z: 6 4.639 1.540 0.313 0.637 0.800 0.800 N 1.128 Z: 16 31.005 2.031 0.704 0.939 1.000 0.667 CB 1.608 16 residues pruned to eliminate duplicates Z: 16 20.633 1.899 0.526 0.893 0.933 0.600 CA 1.414 16 residues pruned to eliminate duplicates Z: 11 20.004 2.181 0.775 0.628 0.900 0.700 CB 1.608 11 residues pruned to eliminate duplicates Z: 17 22.624 2.017 0.791 0.905 0.938 0.812 CA 1.189 17 residues pruned to eliminate duplicates Z: 14 17.973 1.765 0.716 0.913 0.846 0.692 CB 1.376 13 residues pruned to eliminate duplicates Z: 18 23.447 1.927 0.696 0.907 1.000 0.647 CB 1.237 18 residues pruned to eliminate duplicates Z: 12 12.718 1.988 0.243 0.885 1.000 0.727 CA 1.121 12 residues pruned to eliminate duplicates Z: 7 3.255 1.586 0.222 0.393 0.833 0.833 CA 0.922 7 residues pruned to eliminate duplicates Z: 19 25.772 1.907 0.934 0.814 0.944 0.722 CA 1.328 19 residues pruned to eliminate duplicates Z: 53 45.064 2.096 0.937 0.599 0.942 0.538 CB 1.487 53 residues pruned to eliminate duplicates Z: 15 13.044 1.827 0.268 0.802 0.929 0.571 CB 1.244 15 residues pruned to eliminate duplicates Z: 8 7.375 1.614 0.605 0.469 1.000 1.000 CB 1.110 Z: 13 22.502 2.098 0.450 0.928 1.000 1.000 CB 1.495 13 residues pruned to eliminate duplicates Z: 6 2.571 1.483 0.521 0.609 0.800 0.400 CA 0.574 6 residues pruned to eliminate duplicates Z: 17 17.928 2.002 0.053 0.902 1.000 0.812 CB 1.516 17 residues pruned to eliminate duplicates Z: 20 39.238 2.273 0.783 0.901 1.000 0.684 CB 1.586 20 residues pruned to eliminate duplicates Z: 20 24.762 1.980 0.632 0.909 0.947 0.474 CB 1.317 20 residues pruned to eliminate duplicates Z: 19 20.644 2.059 0.217 0.880 0.944 0.833 CB 1.490 19 residues pruned to eliminate duplicates Z: 21 17.016 1.825 0.258 0.859 1.000 0.750 CA 1.218 21 residues pruned to eliminate duplicates Z: 6 4.971 1.665 -0.097 0.668 1.000 1.000 C 1.265 Z: 7 5.301 1.793 0.673 0.464 0.667 0.333 CA 1.122 Z: 12 17.652 2.059 0.290 0.907 1.000 0.636 CB 1.425 12 residues pruned to eliminate duplicates Z: 19 19.817 2.019 0.355 0.929 0.889 0.611 CB 1.344 19 residues pruned to eliminate duplicates Z: 7 6.593 1.669 0.265 0.570 0.833 0.833 N 1.429 7 residues pruned to eliminate duplicates Z: 17 22.594 1.891 0.639 0.872 1.000 0.750 CB 1.328 17 residues pruned to eliminate duplicates Z: 16 18.390 1.890 0.308 0.935 1.000 0.733 CB 1.338 16 residues pruned to eliminate duplicates Z: 9 4.250 1.660 0.331 0.306 0.875 0.375 CB 0.965 9 residues pruned to eliminate duplicates Z: 20 27.120 1.965 0.749 0.891 1.000 0.368 CB 1.301 21 residues pruned to eliminate duplicates Z: 12 26.153 2.166 0.812 0.879 0.909 0.909 CB 1.603 12 residues pruned to eliminate duplicates Z: 78 51.722 2.177 0.719 0.607 0.948 0.662 CB 1.501 78 residues pruned to eliminate duplicates Z: 7 6.393 1.691 0.354 0.694 1.000 0.667 CA 0.955 7 residues pruned to eliminate duplicates Z: 17 33.480 2.026 1.097 0.928 0.938 0.562 CA 1.472 17 residues pruned to eliminate duplicates Z: 20 25.910 1.964 0.727 0.935 0.947 0.579 CB 1.290 20 residues pruned to eliminate duplicates Z: 17 21.144 2.032 0.197 0.887 1.000 0.812 CB 1.568 17 residues pruned to eliminate duplicates Z: 82 45.083 2.093 0.546 0.602 0.951 0.630 CB 1.478 82 residues pruned to eliminate duplicates Z: 21 41.463 2.192 1.031 0.899 1.000 0.600 CB 1.489 21 residues pruned to eliminate duplicates Z: 17 18.035 1.960 0.131 0.923 1.000 0.688 CB 1.429 17 residues pruned to eliminate duplicates Z: 16 25.835 2.028 0.908 0.914 1.000 0.867 CA 1.219 16 residues pruned to eliminate duplicates Z: 19 20.661 1.947 0.710 0.918 0.833 0.278 CB 1.238 19 residues pruned to eliminate duplicates Z: 6 4.085 1.883 0.401 0.496 0.800 0.600 CB 0.870 6 residues pruned to eliminate duplicates Z: 17 14.412 1.765 0.354 0.840 0.938 0.688 CB 1.200 17 residues pruned to eliminate duplicates Z: 11 21.256 2.027 0.872 0.899 0.900 0.300 CB 1.407 11 residues pruned to eliminate duplicates Z: 12 17.636 2.025 0.377 0.933 1.000 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 17 25.761 2.062 0.617 0.946 1.000 0.875 CB 1.336 17 residues pruned to eliminate duplicates Z: 31 23.939 2.086 0.674 0.570 0.900 0.600 CB 1.300 31 residues pruned to eliminate duplicates Z: 60 47.240 2.103 0.725 0.774 0.898 0.492 CB 1.481 60 residues pruned to eliminate duplicates Z: 17 22.853 1.955 0.618 0.888 0.938 0.312 CB 1.388 17 residues pruned to eliminate duplicates Z: 8 4.556 1.414 0.577 0.495 0.714 0.571 CA 1.086 8 residues pruned to eliminate duplicates Z: 14 21.256 2.063 0.354 0.892 1.000 0.692 CA 1.516 14 residues pruned to eliminate duplicates 7 1.430 1.389 0.362 0.196 0.667 0.333 N 0.665 ? Z: 64 44.683 2.084 0.667 0.730 0.921 0.619 CB 1.431 64 residues pruned to eliminate duplicates Z: 16 25.210 1.954 0.669 0.884 1.000 0.333 CA 1.443 16 residues pruned to eliminate duplicates Z: 18 29.973 1.959 0.758 0.930 1.000 0.882 CB 1.475 18 residues pruned to eliminate duplicates Z: 18 22.807 1.957 0.960 0.855 0.824 0.824 CA 1.292 18 residues pruned to eliminate duplicates Z: 13 29.500 2.111 0.852 0.881 1.000 0.833 CB 1.577 13 residues pruned to eliminate duplicates Z: 6 3.673 1.677 0.726 0.185 0.800 0.600 CB 1.036 6 residues pruned to eliminate duplicates Z: 11 18.190 2.088 0.479 0.919 0.900 0.600 CB 1.458 11 residues pruned to eliminate duplicates Z: 10 3.455 1.649 -0.182 0.396 0.778 0.667 CB 1.226 10 residues pruned to eliminate duplicates Z: 28 26.235 2.043 0.725 0.670 0.852 0.444 CB 1.438 28 residues pruned to eliminate duplicates Z: 14 22.072 1.954 0.888 0.815 0.923 0.538 CB 1.367 14 residues pruned to eliminate duplicates Z: 17 20.403 1.873 0.338 0.930 1.000 0.938 CA 1.424 17 residues pruned to eliminate duplicates Z: 11 6.718 1.972 0.001 0.409 0.800 0.500 CA 1.480 11 residues pruned to eliminate duplicates Z: 18 18.081 1.882 0.302 0.901 0.941 0.941 CA 1.356 18 residues pruned to eliminate duplicates Z: 28 35.574 2.118 0.765 0.739 1.000 0.778 CA 1.478 28 residues pruned to eliminate duplicates Z: 14 24.289 1.994 0.739 0.913 1.000 0.692 CA 1.375 14 residues pruned to eliminate duplicates Z: 13 17.916 1.934 0.504 0.884 1.000 0.750 CB 1.285 13 residues pruned to eliminate duplicates Z: 8 9.322 1.733 0.724 0.523 0.857 0.571 CB 1.344 8 residues pruned to eliminate duplicates Z: 37 23.602 2.020 0.468 0.473 0.889 0.583 CB 1.534 37 residues pruned to eliminate duplicates Z: 13 12.795 1.914 0.325 0.529 0.917 0.750 CA 1.544 13 residues pruned to eliminate duplicates Z: 17 22.257 1.831 0.676 0.893 1.000 0.438 CB 1.301 17 residues pruned to eliminate duplicates Z: 25 25.603 1.979 0.493 0.767 0.958 0.625 CB 1.457 25 residues pruned to eliminate duplicates Z: 12 10.212 1.807 0.182 0.872 0.909 0.727 CB 1.156 12 residues pruned to eliminate duplicates Z: 14 15.269 1.883 0.445 0.856 1.000 0.769 CB 1.148 14 residues pruned to eliminate duplicates Z: 19 20.702 1.931 0.307 0.935 0.944 0.722 CA 1.426 19 residues pruned to eliminate duplicates Z: 22 25.274 2.023 0.775 0.784 1.000 0.857 CA 1.196 22 residues pruned to eliminate duplicates Z: 16 23.013 2.040 0.396 0.911 0.933 0.933 CB 1.584 16 residues pruned to eliminate duplicates Z: 17 18.671 1.856 0.481 0.896 1.000 0.812 CB 1.216 17 residues pruned to eliminate duplicates Z: 92 49.581 2.146 0.760 0.583 0.923 0.626 CB 1.377 92 residues pruned to eliminate duplicates Z: 8 11.176 1.907 0.212 0.901 1.000 1.000 CA 1.304 8 residues pruned to eliminate duplicates Z: 72 43.009 2.139 0.723 0.566 0.930 0.648 CB 1.398 72 residues pruned to eliminate duplicates Z: 13 13.687 1.924 0.373 0.838 0.917 0.750 CB 1.220 13 residues pruned to eliminate duplicates Z: 16 21.617 1.955 0.339 0.916 1.000 0.867 CB 1.505 16 residues pruned to eliminate duplicates Z: 18 27.169 2.003 0.976 0.915 1.000 0.529 CA 1.176 18 residues pruned to eliminate duplicates Z: 17 17.741 1.961 0.155 0.913 1.000 1.000 CA 1.386 17 residues pruned to eliminate duplicates Z: 13 29.167 2.057 0.826 0.886 1.000 0.917 CA 1.618 13 residues pruned to eliminate duplicates Z: 20 37.486 2.281 0.672 0.907 1.000 0.632 CB 1.603 20 residues pruned to eliminate duplicates Z: 22 37.805 2.213 0.910 0.854 0.905 0.619 CA 1.593 22 residues pruned to eliminate duplicates Z: 71 43.200 2.155 0.708 0.575 0.929 0.600 CB 1.405 71 residues pruned to eliminate duplicates Z: 20 24.765 1.997 0.527 0.915 1.000 0.632 CB 1.317 20 residues pruned to eliminate duplicates Z: 20 24.175 1.942 0.449 0.927 1.000 0.895 CA 1.382 20 residues pruned to eliminate duplicates Z: 16 25.310 1.889 0.768 0.944 1.000 0.533 CB 1.355 16 residues pruned to eliminate duplicates Z: 11 26.762 2.252 0.824 0.910 1.000 0.600 CB 1.461 11 residues pruned to eliminate duplicates Z: 15 18.184 1.862 0.766 0.786 1.000 0.786 CA 1.149 15 residues pruned to eliminate duplicates Z: 13 23.411 2.012 0.899 0.836 0.917 0.667 CB 1.445 13 residues pruned to eliminate duplicates Z: 10 14.811 1.828 0.733 0.826 1.000 0.333 CB 1.175 10 residues pruned to eliminate duplicates Z: 17 27.946 2.041 1.056 0.908 0.938 0.688 CA 1.261 17 residues pruned to eliminate duplicates Z: 23 13.811 1.867 0.235 0.539 0.864 0.636 CB 1.424 23 residues pruned to eliminate duplicates Z: 13 30.184 2.120 0.837 0.905 1.000 0.833 CB 1.593 13 residues pruned to eliminate duplicates Z: 17 16.545 1.913 0.127 0.879 0.938 0.750 CB 1.484 17 residues pruned to eliminate duplicates Z: 8 6.690 2.052 0.057 0.388 1.000 0.714 CB 1.312 8 residues pruned to eliminate duplicates Z: 18 30.402 1.958 0.930 0.860 0.941 0.529 CA 1.524 18 residues pruned to eliminate duplicates Z: 19 19.091 2.035 0.292 0.834 0.889 0.611 CB 1.443 19 residues pruned to eliminate duplicates Z: 21 20.733 1.890 0.405 0.893 0.950 0.600 CB 1.319 21 residues pruned to eliminate duplicates Z: 9 10.745 1.742 0.992 0.560 0.875 0.625 CB 1.181 9 residues pruned to eliminate duplicates Z: 12 17.647 1.941 0.494 0.893 1.000 0.909 CB 1.317 12 residues pruned to eliminate duplicates Z: 10 6.667 1.512 0.253 0.830 1.000 0.556 CB 0.882 Z: 12 29.473 2.141 1.156 0.919 0.909 0.545 CA 1.492 12 residues pruned to eliminate duplicates Z: 14 20.748 2.072 0.573 0.836 1.000 0.615 CB 1.321 14 residues pruned to eliminate duplicates Z: 6 4.362 1.451 0.322 0.449 1.000 0.400 CA 1.073 6 residues pruned to eliminate duplicates Z: 17 29.282 2.005 0.877 0.948 1.000 0.625 CB 1.343 17 residues pruned to eliminate duplicates Z: 9 5.679 1.725 0.160 0.347 1.000 0.625 CB 1.184 9 residues pruned to eliminate duplicates Z: 11 11.776 1.741 0.325 0.854 1.000 0.900 CB 1.191 11 residues pruned to eliminate duplicates Z: 15 11.319 1.981 0.232 0.646 0.857 0.714 CA 1.262 15 residues pruned to eliminate duplicates Z: 18 16.985 1.929 0.201 0.924 0.941 0.882 CA 1.327 18 residues pruned to eliminate duplicates Z: 40 35.740 2.106 0.846 0.677 0.872 0.590 CB 1.435 40 residues pruned to eliminate duplicates Z: 38 24.709 2.005 0.746 0.544 0.892 0.514 CB 1.247 37 residues pruned to eliminate duplicates Z: 16 16.555 1.978 0.699 0.858 0.867 0.400 CB 1.080 16 residues pruned to eliminate duplicates Z: 27 26.460 2.070 0.878 0.667 0.846 0.538 CB 1.352 27 residues pruned to eliminate duplicates Z: 7 3.545 1.623 0.217 0.441 0.667 0.333 CB 1.168 6 residues pruned to eliminate duplicates Z: 20 21.005 1.932 0.543 0.883 0.947 0.737 CB 1.235 20 residues pruned to eliminate duplicates Z: 8 8.448 1.675 0.612 0.659 0.857 0.571 CB 1.191 10 residues pruned to eliminate duplicates Z: 30 27.487 2.122 0.622 0.560 0.931 0.586 CB 1.503 30 residues pruned to eliminate duplicates Z: 72 41.355 2.156 0.773 0.556 0.915 0.634 CB 1.327 72 residues pruned to eliminate duplicates Z: 40 39.450 2.033 0.840 0.705 0.949 0.564 CB 1.477 40 residues pruned to eliminate duplicates Z: 17 34.297 2.165 1.034 0.910 1.000 0.750 CB 1.382 17 residues pruned to eliminate duplicates Z: 10 10.818 1.674 0.511 0.763 0.889 0.667 CA 1.270 10 residues pruned to eliminate duplicates Z: 13 11.542 1.704 0.376 0.895 0.917 0.833 CB 1.111 13 residues pruned to eliminate duplicates Z: 60 44.147 2.071 0.604 0.746 0.949 0.559 CB 1.463 60 residues pruned to eliminate duplicates Z: 15 20.778 1.878 0.786 0.860 0.929 0.786 CA 1.311 15 residues pruned to eliminate duplicates Z: 26 36.429 2.160 0.798 0.755 0.960 0.760 CA 1.557 26 residues pruned to eliminate duplicates Z: 13 17.458 2.004 0.351 0.825 1.000 0.583 CB 1.405 13 residues pruned to eliminate duplicates Z: 17 32.710 2.060 1.312 0.907 0.938 0.625 CB 1.302 18 residues pruned to eliminate duplicates Z: 12 12.413 1.885 0.384 0.821 1.000 0.818 CB 1.087 12 residues pruned to eliminate duplicates Z: 7 10.526 2.016 0.154 0.888 1.000 0.667 CB 1.330 7 residues pruned to eliminate duplicates Z: 6 3.238 1.547 0.679 0.333 0.600 0.600 C 1.115 Z: 9 10.304 1.964 0.522 0.728 0.750 0.375 CB 1.323 9 residues pruned to eliminate duplicates Z: 17 30.294 1.995 0.890 0.911 1.000 0.500 CB 1.424 17 residues pruned to eliminate duplicates Z: 20 29.553 2.213 0.565 0.903 1.000 0.737 CA 1.395 20 residues pruned to eliminate duplicates Z: 21 20.911 1.867 0.442 0.865 0.950 0.550 CA 1.339 21 residues pruned to eliminate duplicates Z: 14 14.207 2.052 0.042 0.708 1.000 0.692 CA 1.526 14 residues pruned to eliminate duplicates Z: 60 42.387 2.055 0.551 0.737 0.966 0.525 CB 1.449 60 residues pruned to eliminate duplicates Z: 21 11.883 1.890 0.277 0.432 0.850 0.500 CB 1.390 21 residues pruned to eliminate duplicates Z: 17 12.586 2.075 0.378 0.372 0.938 0.625 CB 1.346 17 residues pruned to eliminate duplicates Z: 15 20.757 1.942 0.656 0.923 1.000 0.286 CB 1.213 15 residues pruned to eliminate duplicates Z: 24 25.139 2.090 0.361 0.797 0.957 0.783 CB 1.485 24 residues pruned to eliminate duplicates Z: 116 53.572 2.066 0.602 0.650 0.922 0.670 CB 1.424 116 residues pruned to eliminate duplicates Z: 45 25.602 2.119 0.476 0.550 0.932 0.682 CB 1.261 45 residues pruned to eliminate duplicates Z: 13 6.433 1.469 0.416 0.886 0.917 0.833 CB 0.703 10 residues pruned to eliminate duplicates Z: 24 23.024 1.902 0.823 0.646 0.913 0.565 CB 1.323 24 residues pruned to eliminate duplicates Z: 8 4.116 1.709 0.502 0.717 0.571 0.429 CB 0.872 8 residues pruned to eliminate duplicates Z: 9 8.706 1.785 0.636 0.539 0.875 0.750 CB 1.160 8 residues pruned to eliminate duplicates Z: 17 14.074 1.884 0.512 0.347 0.938 0.500 CB 1.556 17 residues pruned to eliminate duplicates Z: 9 16.812 2.057 0.940 0.550 1.000 0.750 CB 1.419 9 residues pruned to eliminate duplicates Z: 19 22.624 1.968 0.778 0.876 0.889 0.222 CB 1.246 19 residues pruned to eliminate duplicates Z: 11 21.922 1.912 1.172 0.919 1.000 0.500 CB 1.176 11 residues pruned to eliminate duplicates Z: 6 6.274 1.805 -0.208 0.791 1.000 0.800 CB 1.520 Z: 19 21.839 1.967 0.550 0.905 0.944 0.611 CB 1.273 19 residues pruned to eliminate duplicates Z: 26 34.789 2.246 0.687 0.730 0.960 0.680 CB 1.556 26 residues pruned to eliminate duplicates Z: 7 3.626 1.523 -0.133 0.657 0.833 0.500 CB 1.162 Z: 12 8.851 1.713 0.687 0.446 0.909 0.455 CB 1.073 12 residues pruned to eliminate duplicates Z: 61 39.633 2.104 0.621 0.711 0.917 0.633 CB 1.351 61 residues pruned to eliminate duplicates Z: 17 29.711 2.064 1.156 0.908 1.000 0.625 CB 1.186 17 residues pruned to eliminate duplicates Z: 6 6.628 1.825 0.147 0.788 0.800 0.800 CB 1.374 6 residues pruned to eliminate duplicates Z: 18 24.796 1.946 0.973 0.882 0.882 0.588 CA 1.284 18 residues pruned to eliminate duplicates Z: 6 7.162 1.780 -0.080 0.746 1.000 0.600 N 1.569 6 residues pruned to eliminate duplicates Z: 39 34.628 2.065 0.685 0.679 0.895 0.500 CB 1.531 39 residues pruned to eliminate duplicates Z: 20 22.309 1.988 0.889 0.612 0.947 0.474 CB 1.294 20 residues pruned to eliminate duplicates Z: 18 15.061 2.079 0.445 0.367 0.941 0.588 CB 1.490 18 residues pruned to eliminate duplicates Z: 47 38.086 2.090 0.914 0.598 0.913 0.391 CB 1.400 47 residues pruned to eliminate duplicates Z: 17 16.025 1.961 0.129 0.829 0.938 0.812 CB 1.453 17 residues pruned to eliminate duplicates Z: 28 25.706 1.969 0.648 0.680 0.889 0.630 CB 1.454 28 residues pruned to eliminate duplicates Z: 20 12.249 1.736 0.342 0.766 0.842 0.789 CA 1.131 20 residues pruned to eliminate duplicates Z: 18 15.019 1.989 0.690 0.566 0.765 0.412 CB 1.330 18 residues pruned to eliminate duplicates Z: 12 23.162 2.119 0.694 0.900 0.909 0.636 CB 1.529 12 residues pruned to eliminate duplicates Z: 29 35.475 2.057 0.948 0.703 0.929 0.643 CB 1.498 29 residues pruned to eliminate duplicates Z: 6 4.537 1.931 0.339 0.664 0.800 0.400 CB 0.843 5 residues pruned to eliminate duplicates Z: 48 34.313 2.056 0.655 0.583 0.936 0.532 CB 1.450 48 residues pruned to eliminate duplicates Z: 9 10.634 1.798 0.918 0.668 1.000 0.750 CB 0.933 9 residues pruned to eliminate duplicates Z: 7 6.310 1.748 0.880 0.629 0.833 0.833 CB 0.834 5 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 30 21.261 1.900 0.568 0.670 0.862 0.724 CB 1.314 30 residues pruned to eliminate duplicates Z: 18 18.201 1.997 0.365 0.834 0.882 0.765 CB 1.376 18 residues pruned to eliminate duplicates Z: 28 17.025 1.811 0.381 0.724 0.889 0.667 CB 1.205 30 residues pruned to eliminate duplicates Z: 17 26.256 2.017 0.649 0.916 1.000 0.938 CB 1.394 17 residues pruned to eliminate duplicates Z: 28 19.730 1.909 0.396 0.691 0.926 0.630 CB 1.292 28 residues pruned to eliminate duplicates Z: 35 21.139 1.852 0.429 0.655 0.912 0.618 CB 1.301 35 residues pruned to eliminate duplicates Z: 17 20.347 1.945 0.605 0.821 0.875 0.875 CB 1.409 17 residues pruned to eliminate duplicates Z: 37 18.532 1.801 0.449 0.637 0.861 0.611 CB 1.209 34 residues pruned to eliminate duplicates Z: 18 20.730 1.899 0.510 0.910 0.882 0.824 CA 1.409 18 residues pruned to eliminate duplicates Z: 29 26.580 1.959 0.513 0.761 1.000 0.714 CB 1.344 29 residues pruned to eliminate duplicates Z: 25 19.524 1.901 0.772 0.676 0.875 0.625 CB 1.149 25 residues pruned to eliminate duplicates Z: 32 23.059 1.892 0.588 0.636 0.871 0.645 CB 1.395 32 residues pruned to eliminate duplicates Z: 79 37.297 1.943 0.581 0.689 0.872 0.641 CB 1.327 79 residues pruned to eliminate duplicates Z: 42 20.387 1.831 0.428 0.699 0.902 0.659 CB 1.125 40 residues pruned to eliminate duplicates Z: 17 26.986 2.023 0.578 0.943 1.000 0.938 CB 1.465 17 residues pruned to eliminate duplicates Z: 31 23.556 1.939 0.504 0.767 0.900 0.633 CB 1.293 31 residues pruned to eliminate duplicates Z: 28 19.455 1.985 0.346 0.707 0.889 0.667 CB 1.306 28 residues pruned to eliminate duplicates Z: 57 32.760 1.870 0.498 0.752 0.982 0.714 CB 1.270 58 residues pruned to eliminate duplicates Z: 22 28.245 1.957 0.661 0.797 1.000 0.619 CB 1.463 22 residues pruned to eliminate duplicates Z: 29 26.700 1.934 0.852 0.725 0.857 0.643 CB 1.341 29 residues pruned to eliminate duplicates Z: 66 36.445 1.987 0.622 0.657 0.877 0.569 CB 1.383 66 residues pruned to eliminate duplicates Z: 64 47.419 2.075 0.718 0.759 0.921 0.635 CB 1.445 64 residues pruned to eliminate duplicates Z: 56 35.884 1.979 0.620 0.713 0.927 0.491 CB 1.341 56 residues pruned to eliminate duplicates Z: 59 26.844 1.886 0.395 0.755 0.897 0.603 CB 1.191 58 residues pruned to eliminate duplicates Z: 17 21.099 1.987 0.357 0.866 1.000 0.750 CB 1.433 17 residues pruned to eliminate duplicates Z: 46 29.797 1.976 0.467 0.776 0.889 0.578 CB 1.351 46 residues pruned to eliminate duplicates Z: 67 49.284 2.045 0.738 0.743 0.955 0.576 CB 1.439 67 residues pruned to eliminate duplicates Z: 78 43.978 2.020 0.673 0.684 0.922 0.532 CB 1.358 78 residues pruned to eliminate duplicates Z: 80 55.305 2.081 0.781 0.738 0.924 0.646 CB 1.467 80 residues pruned to eliminate duplicates Z: 124 60.607 2.088 0.685 0.640 0.951 0.634 CB 1.432 124 residues pruned to eliminate duplicates Z: 78 50.992 2.062 0.785 0.684 0.909 0.442 CB 1.468 78 residues pruned to eliminate duplicates Z: 29 29.344 2.038 0.713 0.667 0.929 0.536 CB 1.466 29 residues pruned to eliminate duplicates Z: 46 35.203 1.931 0.776 0.738 0.933 0.556 CB 1.324 46 residues pruned to eliminate duplicates Z: 69 49.249 2.007 0.836 0.712 0.971 0.647 CB 1.378 69 residues pruned to eliminate duplicates Z: 123 65.607 2.109 0.759 0.656 0.959 0.639 CB 1.445 123 residues pruned to eliminate duplicates Z: 19 17.426 2.013 0.437 0.700 0.944 0.611 CB 1.253 19 residues pruned to eliminate duplicates Z: 46 28.625 1.994 0.604 0.664 0.867 0.622 CB 1.323 46 residues pruned to eliminate duplicates Z: 39 40.296 2.122 0.818 0.709 0.921 0.684 CB 1.522 39 residues pruned to eliminate duplicates Z: 40 33.849 2.101 0.797 0.645 0.846 0.615 CB 1.481 40 residues pruned to eliminate duplicates Z: 41 33.812 2.073 0.829 0.660 0.825 0.600 CB 1.474 41 residues pruned to eliminate duplicates Z: 66 46.072 1.975 0.805 0.733 0.938 0.477 CB 1.386 66 residues pruned to eliminate duplicates Z: 19 19.030 1.934 0.562 0.679 0.889 0.611 CB 1.417 19 residues pruned to eliminate duplicates Z: 47 39.766 2.096 0.910 0.678 0.870 0.543 CB 1.431 47 residues pruned to eliminate duplicates Z: 44 39.415 2.125 0.812 0.679 0.907 0.581 CB 1.460 44 residues pruned to eliminate duplicates Z: 39 32.445 2.102 0.687 0.690 0.895 0.579 CB 1.394 39 residues pruned to eliminate duplicates Z: 80 47.408 2.090 0.717 0.661 0.886 0.620 CB 1.446 80 residues pruned to eliminate duplicates Z: 53 37.013 2.020 0.723 0.644 0.904 0.615 CB 1.426 53 residues pruned to eliminate duplicates Z: 18 21.421 2.007 0.700 0.664 0.941 0.529 CB 1.389 18 residues pruned to eliminate duplicates Z: 11 19.902 2.135 0.771 0.660 1.000 0.500 CB 1.436 11 residues pruned to eliminate duplicates Z: 54 38.670 2.091 0.703 0.640 0.868 0.509 CB 1.507 54 residues pruned to eliminate duplicates Z: 54 39.493 2.125 0.750 0.661 0.868 0.509 CB 1.447 54 residues pruned to eliminate duplicates Z: 68 47.202 2.050 0.776 0.728 0.910 0.537 CB 1.417 68 residues pruned to eliminate duplicates Z: 21 32.926 2.173 1.013 0.701 0.900 0.700 CB 1.558 21 residues pruned to eliminate duplicates Z: 46 38.026 2.039 0.738 0.733 0.933 0.556 CB 1.390 46 residues pruned to eliminate duplicates Z: 21 40.709 2.138 1.172 0.698 0.950 0.650 CB 1.723 21 residues pruned to eliminate duplicates Z: 36 36.418 2.066 0.807 0.663 0.943 0.657 CB 1.503 36 residues pruned to eliminate duplicates Z: 16 21.819 2.144 0.870 0.722 0.800 0.600 CB 1.437 16 residues pruned to eliminate duplicates Z: 95 54.830 2.156 0.698 0.615 0.936 0.649 CB 1.479 95 residues pruned to eliminate duplicates Z: 95 55.748 2.154 0.691 0.625 0.947 0.660 CB 1.482 95 residues pruned to eliminate duplicates Z: 34 43.649 2.220 0.956 0.717 0.909 0.727 CB 1.581 34 residues pruned to eliminate duplicates Z: 78 48.176 2.184 0.701 0.587 0.922 0.727 CB 1.473 78 residues pruned to eliminate duplicates Z: 32 40.621 2.211 0.924 0.687 0.903 0.710 CB 1.599 32 residues pruned to eliminate duplicates Z: 77 50.006 2.179 0.728 0.577 0.934 0.684 CB 1.514 77 residues pruned to eliminate duplicates Z: 26 31.875 2.196 0.904 0.547 0.920 0.680 CB 1.582 26 residues pruned to eliminate duplicates Z: 52 39.923 2.119 0.753 0.667 0.882 0.588 CB 1.461 52 residues pruned to eliminate duplicates Z: 37 31.865 2.044 0.771 0.603 0.917 0.667 CA 1.451 37 residues pruned to eliminate duplicates Z: 36 37.128 2.175 0.797 0.659 0.914 0.686 CB 1.515 36 residues pruned to eliminate duplicates Z: 24 25.443 2.121 0.697 0.531 0.913 0.522 CA 1.566 24 residues pruned to eliminate duplicates Z: 44 37.122 2.099 0.741 0.614 0.953 0.628 CB 1.458 44 residues pruned to eliminate duplicates Z: 58 38.526 2.168 0.564 0.578 0.965 0.667 CB 1.447 58 residues pruned to eliminate duplicates Z: 17 19.706 2.060 0.859 0.636 0.812 0.562 CB 1.394 17 residues pruned to eliminate duplicates Z: 27 20.996 2.012 0.791 0.446 0.885 0.462 CA 1.365 27 residues pruned to eliminate duplicates Z: 24 17.747 1.902 0.661 0.542 0.826 0.304 CA 1.360 24 residues pruned to eliminate duplicates Z: 58 39.256 2.188 0.656 0.542 0.930 0.632 CB 1.480 58 residues pruned to eliminate duplicates Z: 27 25.759 2.118 0.720 0.590 0.885 0.654 CB 1.438 27 residues pruned to eliminate duplicates Z: 57 41.208 2.175 0.646 0.581 0.964 0.607 CB 1.475 57 residues pruned to eliminate duplicates Z: 57 41.775 2.187 0.643 0.562 0.964 0.732 CB 1.517 57 residues pruned to eliminate duplicates Z: 36 36.707 2.183 0.732 0.694 0.886 0.743 CB 1.551 36 residues pruned to eliminate duplicates Z: 73 46.188 2.153 0.722 0.586 0.931 0.500 CB 1.453 73 residues pruned to eliminate duplicates Z: 72 39.231 2.131 0.597 0.551 0.930 0.648 CB 1.400 72 residues pruned to eliminate duplicates Z: 78 37.128 2.083 0.622 0.506 0.909 0.662 CB 1.369 78 residues pruned to eliminate duplicates Z: 78 49.031 2.181 0.716 0.571 0.935 0.597 CB 1.491 78 residues pruned to eliminate duplicates Z: 111 55.159 2.144 0.669 0.578 0.936 0.582 CB 1.457 111 residues pruned to eliminate duplicates Z: 19 15.204 2.081 0.640 0.342 0.889 0.500 CB 1.403 19 residues pruned to eliminate duplicates Z: 57 42.114 2.197 0.657 0.571 0.982 0.589 CB 1.470 57 residues pruned to eliminate duplicates Z: 59 41.168 2.159 0.756 0.555 0.931 0.552 CB 1.452 59 residues pruned to eliminate duplicates Z: 70 34.580 2.093 0.623 0.496 0.913 0.580 CB 1.347 70 residues pruned to eliminate duplicates Z: 66 40.665 2.144 0.589 0.559 0.954 0.600 CB 1.467 66 residues pruned to eliminate duplicates Z: 73 37.537 2.132 0.640 0.533 0.903 0.583 CB 1.358 73 residues pruned to eliminate duplicates Z: 77 50.954 2.162 0.777 0.582 0.947 0.711 CB 1.484 77 residues pruned to eliminate duplicates Z: 58 41.178 2.181 0.635 0.579 0.947 0.684 CB 1.495 58 residues pruned to eliminate duplicates Z: 86 42.776 2.135 0.636 0.549 0.906 0.647 CB 1.398 86 residues pruned to eliminate duplicates Z: 57 42.963 2.206 0.685 0.564 0.946 0.643 CB 1.535 57 residues pruned to eliminate duplicates Z: 64 37.853 2.123 0.652 0.529 0.921 0.556 CB 1.436 64 residues pruned to eliminate duplicates Z: 134 62.129 2.075 0.741 0.637 0.925 0.632 CB 1.417 134 residues pruned to eliminate duplicates Z: 45 31.931 2.150 0.494 0.536 0.977 0.614 CB 1.480 45 residues pruned to eliminate duplicates Z: 110 50.965 2.116 0.722 0.601 0.908 0.606 CB 1.340 110 residues pruned to eliminate duplicates Z: 57 46.090 2.196 0.824 0.599 0.946 0.696 CB 1.479 57 residues pruned to eliminate duplicates Z: 57 43.559 2.197 0.727 0.593 0.929 0.500 CB 1.512 57 residues pruned to eliminate duplicates Z: 58 42.132 2.175 0.728 0.562 0.930 0.579 CB 1.504 58 residues pruned to eliminate duplicates Z: 59 38.785 2.134 0.708 0.534 0.931 0.638 CB 1.451 59 residues pruned to eliminate duplicates Z: 44 32.160 2.152 0.636 0.511 0.930 0.558 CB 1.480 44 residues pruned to eliminate duplicates Z: 60 40.333 2.142 0.711 0.553 0.966 0.542 CB 1.408 60 residues pruned to eliminate duplicates Z: 51 30.465 2.101 0.615 0.496 0.900 0.620 CB 1.417 51 residues pruned to eliminate duplicates Z: 97 56.476 2.141 0.767 0.611 0.938 0.646 CB 1.463 97 residues pruned to eliminate duplicates Z: 74 41.162 2.159 0.673 0.535 0.918 0.562 CB 1.404 74 residues pruned to eliminate duplicates Z: 74 45.772 2.155 0.743 0.567 0.945 0.671 CB 1.414 74 residues pruned to eliminate duplicates Z: 57 45.454 2.200 0.787 0.589 0.964 0.571 CB 1.471 57 residues pruned to eliminate duplicates Z: 61 42.093 2.148 0.721 0.567 0.950 0.733 CB 1.451 61 residues pruned to eliminate duplicates Z: 37 35.578 2.198 0.745 0.550 0.972 0.667 CB 1.514 37 residues pruned to eliminate duplicates Z: 57 44.459 2.208 0.775 0.575 0.946 0.589 CB 1.489 57 residues pruned to eliminate duplicates Z: 63 42.185 2.112 0.772 0.568 0.935 0.548 CB 1.433 63 residues pruned to eliminate duplicates Z: 99 53.473 2.156 0.733 0.572 0.939 0.561 CB 1.436 96 residues pruned to eliminate duplicates Z: 6 9.179 2.093 0.512 0.378 1.000 0.400 CA 1.478 6 residues pruned to eliminate duplicates Z: 58 45.598 2.197 0.827 0.565 0.947 0.614 CB 1.491 58 residues pruned to eliminate duplicates Z: 58 45.107 2.157 0.714 0.601 0.965 0.544 CB 1.520 58 residues pruned to eliminate duplicates Z: 121 65.187 2.128 0.766 0.657 0.942 0.583 CB 1.454 121 residues pruned to eliminate duplicates Z: 70 46.671 2.182 0.737 0.560 0.928 0.565 CB 1.507 70 residues pruned to eliminate duplicates Z: 116 55.115 2.127 0.685 0.611 0.930 0.626 CB 1.387 116 residues pruned to eliminate duplicates Z: 60 39.972 2.137 0.733 0.552 0.915 0.542 CB 1.460 60 residues pruned to eliminate duplicates Z: 89 48.905 2.166 0.716 0.582 0.932 0.682 CB 1.391 89 residues pruned to eliminate duplicates Z: 72 45.267 2.171 0.741 0.549 0.930 0.577 CB 1.458 72 residues pruned to eliminate duplicates Z: 40 25.494 2.140 0.631 0.517 0.897 0.564 CB 1.282 40 residues pruned to eliminate duplicates Z: 23 11.315 1.935 0.275 0.452 0.818 0.591 CB 1.255 23 residues pruned to eliminate duplicates Z: 6 11.641 2.166 0.471 0.865 1.000 1.000 CB 1.197 6 residues pruned to eliminate duplicates Z: 59 38.145 2.147 0.672 0.559 0.966 0.534 CB 1.365 59 residues pruned to eliminate duplicates Z: 74 43.759 2.150 0.774 0.539 0.945 0.534 CB 1.367 74 residues pruned to eliminate duplicates Z: 16 12.688 2.002 0.820 0.571 0.867 0.467 CB 0.969 16 residues pruned to eliminate duplicates Z: 14 12.905 2.111 0.525 0.575 0.846 0.385 CB 1.223 14 residues pruned to eliminate duplicates Z: 59 37.658 2.154 0.722 0.537 0.948 0.586 CB 1.356 59 residues pruned to eliminate duplicates Z: 74 40.893 2.087 0.716 0.555 0.945 0.575 CB 1.340 74 residues pruned to eliminate duplicates Z: 15 8.546 2.017 0.556 0.545 0.857 0.571 CB 0.812 15 residues pruned to eliminate duplicates Z: 16 7.359 1.941 0.471 0.500 0.933 0.200 CB 0.713 16 residues pruned to eliminate duplicates Z: 94 57.598 2.193 0.808 0.611 0.946 0.624 CB 1.433 95 residues pruned to eliminate duplicates Z: 23 27.356 2.148 0.521 0.794 0.909 0.773 CB 1.518 23 residues pruned to eliminate duplicates Z: 27 37.930 2.182 0.834 0.723 0.962 0.654 CA 1.580 27 residues pruned to eliminate duplicates Z: 25 39.104 2.249 0.801 0.780 1.000 0.750 CB 1.540 25 residues pruned to eliminate duplicates Z: 27 26.783 2.160 0.590 0.609 0.923 0.577 CB 1.494 27 residues pruned to eliminate duplicates Z: 25 37.498 2.231 0.843 0.776 0.917 0.750 CB 1.591 25 residues pruned to eliminate duplicates Z: 26 33.303 2.218 0.626 0.723 0.960 0.600 CA 1.574 26 residues pruned to eliminate duplicates Z: 25 42.327 2.258 0.859 0.769 1.000 0.667 CB 1.623 25 residues pruned to eliminate duplicates Z: 25 38.420 2.204 0.863 0.743 0.958 0.708 CA 1.604 25 residues pruned to eliminate duplicates Z: 26 40.541 2.217 0.934 0.755 0.960 0.680 CA 1.569 26 residues pruned to eliminate duplicates Z: 20 38.062 2.267 0.931 0.867 0.895 0.632 CB 1.631 20 residues pruned to eliminate duplicates Z: 25 36.936 2.244 0.736 0.778 0.958 0.708 CA 1.580 25 residues pruned to eliminate duplicates Z: 25 35.599 2.227 0.755 0.758 0.917 0.625 CB 1.613 25 residues pruned to eliminate duplicates Z: 27 43.325 2.185 1.087 0.739 0.962 0.692 CB 1.563 27 residues pruned to eliminate duplicates Z: 20 46.416 2.288 1.137 0.905 1.000 0.684 CB 1.551 20 residues pruned to eliminate duplicates Z: 21 38.894 2.208 0.967 0.897 0.950 0.650 CA 1.508 21 residues pruned to eliminate duplicates Z: 26 44.158 2.230 0.962 0.734 1.000 0.680 CB 1.635 26 residues pruned to eliminate duplicates Z: 21 38.775 2.207 1.031 0.906 0.900 0.650 CB 1.529 21 residues pruned to eliminate duplicates Z: 27 40.458 2.121 0.941 0.762 1.000 0.615 CA 1.527 27 residues pruned to eliminate duplicates Z: 26 37.530 2.223 0.800 0.757 0.960 0.680 CA 1.555 26 residues pruned to eliminate duplicates Z: 12 6.868 1.606 0.161 0.815 0.909 0.727 CB 0.929 12 residues pruned to eliminate duplicates Z: 14 8.740 1.496 0.369 0.843 0.923 0.692 CB 0.955 13 residues pruned to eliminate duplicates Z: 11 8.473 1.556 0.373 0.905 1.000 0.700 CB 0.893 11 residues pruned to eliminate duplicates Z: 12 11.308 1.568 0.591 0.904 1.000 0.818 CB 0.973 12 residues pruned to eliminate duplicates Z: 12 8.849 1.587 0.413 0.821 1.000 0.727 CB 0.901 14 residues pruned to eliminate duplicates Z: 11 8.852 1.548 0.396 0.843 1.000 0.900 CA 0.964 11 residues pruned to eliminate duplicates Z: 12 8.889 1.608 0.323 0.772 1.000 0.727 CB 0.991 11 residues pruned to eliminate duplicates Z: 18 27.100 2.018 0.797 0.863 1.000 0.647 CA 1.330 18 residues pruned to eliminate duplicates Z: 34 31.251 2.044 0.507 0.727 0.970 0.515 CA 1.484 34 residues pruned to eliminate duplicates Z: 35 28.650 2.026 0.492 0.717 0.912 0.588 CA 1.465 35 residues pruned to eliminate duplicates Z: 18 27.751 2.053 0.842 0.850 0.941 0.471 CA 1.401 18 residues pruned to eliminate duplicates Z: 19 24.844 2.035 0.661 0.800 0.944 0.444 CA 1.411 19 residues pruned to eliminate duplicates Z: 21 23.668 1.921 1.076 0.705 0.800 0.600 CA 1.377 21 residues pruned to eliminate duplicates Z: 20 25.580 2.012 0.827 0.748 0.947 0.526 CA 1.350 20 residues pruned to eliminate duplicates Z: 19 27.897 2.026 0.939 0.805 0.944 0.389 CA 1.358 19 residues pruned to eliminate duplicates Z: 35 31.348 2.005 0.605 0.706 0.971 0.618 CA 1.427 35 residues pruned to eliminate duplicates Z: 21 24.166 1.956 0.961 0.733 0.900 0.500 CA 1.269 21 residues pruned to eliminate duplicates Z: 18 31.268 2.035 0.918 0.854 1.000 0.765 CA 1.435 18 residues pruned to eliminate duplicates Z: 18 23.562 1.896 1.003 0.706 0.941 0.471 CA 1.325 18 residues pruned to eliminate duplicates Z: 18 28.413 2.033 0.924 0.883 0.882 0.529 CA 1.444 18 residues pruned to eliminate duplicates Z: 18 29.312 2.043 0.938 0.864 0.941 0.588 CA 1.399 18 residues pruned to eliminate duplicates Z: 34 31.555 2.005 0.491 0.754 1.000 0.545 CA 1.465 34 residues pruned to eliminate duplicates Z: 20 24.130 1.952 0.787 0.768 0.947 0.579 CA 1.321 20 residues pruned to eliminate duplicates Z: 34 32.829 2.073 0.660 0.707 0.909 0.515 CA 1.514 34 residues pruned to eliminate duplicates Z: 34 31.481 2.063 0.600 0.721 0.909 0.545 CA 1.495 34 residues pruned to eliminate duplicates Z: 34 31.630 2.024 0.564 0.713 0.970 0.606 CA 1.478 34 residues pruned to eliminate duplicates Z: 33 35.206 2.086 0.671 0.743 0.938 0.500 CA 1.533 33 residues pruned to eliminate duplicates Z: 30 27.287 2.067 0.582 0.646 0.897 0.517 CA 1.509 30 residues pruned to eliminate duplicates Z: 34 35.656 2.072 0.687 0.709 0.970 0.485 CA 1.515 34 residues pruned to eliminate duplicates Z: 34 36.155 2.075 0.654 0.732 0.970 0.424 CB 1.535 34 residues pruned to eliminate duplicates Z: 65 50.933 2.114 0.637 0.796 0.953 0.625 CB 1.488 65 residues pruned to eliminate duplicates Z: 15 16.390 2.088 0.553 0.636 0.857 0.500 CB 1.387 15 residues pruned to eliminate duplicates Z: 60 39.853 2.070 0.588 0.669 0.915 0.475 CB 1.475 60 residues pruned to eliminate duplicates Z: 18 25.697 2.069 0.561 0.928 0.941 0.471 CB 1.437 18 residues pruned to eliminate duplicates Z: 63 45.970 2.083 0.624 0.734 0.952 0.565 CB 1.470 63 residues pruned to eliminate duplicates Z: 59 38.560 2.064 0.661 0.688 0.897 0.534 CB 1.387 59 residues pruned to eliminate duplicates Z: 16 17.453 2.096 0.596 0.583 0.867 0.400 CB 1.435 16 residues pruned to eliminate duplicates Z: 40 26.535 2.022 0.482 0.700 0.872 0.615 CB 1.355 40 residues pruned to eliminate duplicates Z: 117 53.703 2.081 0.617 0.646 0.922 0.569 CB 1.402 117 residues pruned to eliminate duplicates Z: 16 26.763 2.119 0.876 0.884 0.933 0.400 CB 1.346 16 residues pruned to eliminate duplicates Z: 65 43.026 2.053 0.626 0.730 0.891 0.500 CB 1.471 65 residues pruned to eliminate duplicates Z: 61 42.002 2.073 0.615 0.781 0.883 0.533 CB 1.432 61 residues pruned to eliminate duplicates Z: 38 30.866 2.091 0.559 0.724 0.919 0.622 CB 1.383 38 residues pruned to eliminate duplicates Z: 78 38.677 2.046 0.472 0.615 0.948 0.610 CB 1.385 78 residues pruned to eliminate duplicates Z: 36 33.708 2.122 0.617 0.761 0.943 0.629 CB 1.396 36 residues pruned to eliminate duplicates Z: 58 37.396 2.050 0.573 0.684 0.912 0.491 CB 1.423 58 residues pruned to eliminate duplicates Z: 66 51.389 2.094 0.745 0.758 0.954 0.508 CB 1.454 66 residues pruned to eliminate duplicates Z: 66 53.631 2.107 0.759 0.770 0.969 0.569 CB 1.458 66 residues pruned to eliminate duplicates Z: 134 63.968 2.080 0.700 0.668 0.947 0.624 CB 1.418 138 residues pruned to eliminate duplicates Z: 6 3.962 1.797 0.364 0.462 0.800 0.400 CB 0.939 6 residues pruned to eliminate duplicates Z: 59 46.266 2.098 0.661 0.765 0.948 0.569 CB 1.453 59 residues pruned to eliminate duplicates Z: 62 44.246 2.073 0.592 0.733 0.934 0.689 CB 1.490 62 residues pruned to eliminate duplicates Z: 61 41.894 2.052 0.647 0.749 0.900 0.550 CB 1.424 61 residues pruned to eliminate duplicates Z: 46 30.982 2.062 0.528 0.679 0.933 0.622 CB 1.332 46 residues pruned to eliminate duplicates Z: 49 36.314 2.104 0.532 0.730 0.917 0.625 CB 1.442 49 residues pruned to eliminate duplicates Z: 36 28.445 2.088 0.515 0.702 0.914 0.657 CB 1.383 36 residues pruned to eliminate duplicates Z: 15 17.366 2.013 0.368 0.701 0.929 0.643 CB 1.510 15 residues pruned to eliminate duplicates Z: 20 24.492 2.164 0.399 0.714 0.947 0.789 CB 1.614 20 residues pruned to eliminate duplicates Z: 61 42.988 2.071 0.624 0.755 0.933 0.533 CB 1.409 61 residues pruned to eliminate duplicates Z: 63 43.608 2.050 0.617 0.756 0.919 0.629 CB 1.448 63 residues pruned to eliminate duplicates Z: 62 44.396 2.083 0.557 0.782 0.918 0.557 CB 1.490 62 residues pruned to eliminate duplicates Z: 63 42.123 2.013 0.701 0.707 0.887 0.597 CB 1.459 63 residues pruned to eliminate duplicates Z: 41 37.071 2.160 0.503 0.767 0.975 0.700 CB 1.462 41 residues pruned to eliminate duplicates Z: 67 50.480 2.100 0.714 0.741 0.970 0.591 CB 1.435 67 residues pruned to eliminate duplicates Z: 65 48.833 2.120 0.686 0.760 0.922 0.609 CB 1.470 65 residues pruned to eliminate duplicates Z: 81 51.060 2.092 0.682 0.731 0.925 0.588 CB 1.424 81 residues pruned to eliminate duplicates Z: 48 33.582 2.136 0.520 0.727 0.894 0.681 CB 1.376 48 residues pruned to eliminate duplicates Z: 131 60.385 2.087 0.638 0.660 0.931 0.608 CB 1.435 131 residues pruned to eliminate duplicates Z: 123 57.019 2.109 0.556 0.672 0.918 0.639 CB 1.462 123 residues pruned to eliminate duplicates Z: 109 61.085 2.116 0.675 0.694 0.954 0.667 CB 1.456 109 residues pruned to eliminate duplicates Z: 47 36.252 2.161 0.507 0.734 0.957 0.739 CB 1.391 47 residues pruned to eliminate duplicates Z: 80 43.182 2.091 0.626 0.588 0.962 0.658 CB 1.365 80 residues pruned to eliminate duplicates Z: 15 28.692 2.053 1.126 0.720 0.929 0.714 CB 1.550 15 residues pruned to eliminate duplicates Z: 65 40.287 2.050 0.595 0.599 0.969 0.703 CB 1.446 65 residues pruned to eliminate duplicates Z: 59 38.250 2.082 0.540 0.584 0.966 0.690 CB 1.497 59 residues pruned to eliminate duplicates Z: 58 36.666 2.090 0.529 0.569 0.965 0.614 CB 1.473 58 residues pruned to eliminate duplicates Z: 57 40.222 2.100 0.568 0.584 0.982 0.696 CB 1.532 57 residues pruned to eliminate duplicates Z: 80 43.394 2.126 0.552 0.627 0.911 0.633 CB 1.440 80 residues pruned to eliminate duplicates Z: 62 44.724 2.147 0.627 0.716 0.934 0.656 CB 1.443 62 residues pruned to eliminate duplicates Z: 126 61.204 2.100 0.627 0.658 0.944 0.616 CB 1.466 126 residues pruned to eliminate duplicates Z: 69 36.510 2.052 0.559 0.570 0.941 0.559 CB 1.374 69 residues pruned to eliminate duplicates Z: 56 37.516 2.124 0.654 0.729 0.855 0.600 CB 1.372 56 residues pruned to eliminate duplicates Z: 60 41.689 2.055 0.652 0.612 0.966 0.576 CB 1.488 60 residues pruned to eliminate duplicates Z: 66 36.819 2.063 0.560 0.561 0.923 0.585 CB 1.449 66 residues pruned to eliminate duplicates Z: 68 42.902 2.080 0.699 0.610 0.940 0.597 CB 1.421 68 residues pruned to eliminate duplicates Z: 57 37.961 2.110 0.606 0.563 0.929 0.554 CB 1.517 57 residues pruned to eliminate duplicates Z: 124 60.618 2.101 0.631 0.663 0.951 0.618 CB 1.442 124 residues pruned to eliminate duplicates Z: 50 28.952 2.043 0.447 0.515 0.939 0.633 CB 1.468 50 residues pruned to eliminate duplicates Z: 46 30.578 2.037 0.424 0.545 1.000 0.667 CB 1.504 46 residues pruned to eliminate duplicates Z: 63 43.252 2.131 0.604 0.614 0.968 0.726 CB 1.491 63 residues pruned to eliminate duplicates Z: 44 32.640 2.117 0.456 0.534 0.977 0.628 CB 1.598 44 residues pruned to eliminate duplicates Z: 80 46.620 2.133 0.553 0.610 0.949 0.747 CB 1.503 80 residues pruned to eliminate duplicates Z: 57 39.575 2.077 0.676 0.582 0.929 0.589 CB 1.512 57 residues pruned to eliminate duplicates Z: 64 43.951 2.087 0.676 0.621 0.952 0.556 CB 1.482 64 residues pruned to eliminate duplicates Z: 131 60.319 2.085 0.637 0.667 0.923 0.615 CB 1.439 131 residues pruned to eliminate duplicates Z: 68 39.595 2.064 0.689 0.580 0.910 0.463 CB 1.412 68 residues pruned to eliminate duplicates Z: 93 45.316 2.069 0.641 0.550 0.935 0.620 CB 1.418 93 residues pruned to eliminate duplicates Z: 40 27.590 2.008 0.528 0.472 0.974 0.744 CB 1.520 40 residues pruned to eliminate duplicates Z: 45 36.321 2.067 0.622 0.534 1.000 0.636 CA 1.580 45 residues pruned to eliminate duplicates Z: 23 24.176 2.084 0.625 0.507 0.955 0.682 CA 1.584 23 residues pruned to eliminate duplicates Z: 126 56.829 2.095 0.542 0.638 0.952 0.560 CB 1.453 126 residues pruned to eliminate duplicates Z: 24 18.231 2.047 0.472 0.473 0.870 0.522 CB 1.491 24 residues pruned to eliminate duplicates Z: 43 36.353 2.127 0.580 0.596 0.976 0.643 CB 1.559 43 residues pruned to eliminate duplicates Z: 122 61.399 2.110 0.601 0.655 0.959 0.636 CB 1.492 122 residues pruned to eliminate duplicates Z: 53 29.413 2.016 0.457 0.509 0.942 0.596 CB 1.461 53 residues pruned to eliminate duplicates Z: 58 38.213 2.079 0.612 0.574 0.947 0.702 CB 1.484 58 residues pruned to eliminate duplicates Z: 59 40.612 2.096 0.617 0.568 0.966 0.586 CB 1.525 59 residues pruned to eliminate duplicates Z: 36 31.700 2.088 0.546 0.538 1.000 0.686 CA 1.599 36 residues pruned to eliminate duplicates Z: 35 28.336 2.088 0.494 0.509 0.971 0.559 CA 1.591 35 residues pruned to eliminate duplicates Z: 68 35.371 2.064 0.614 0.533 0.896 0.627 CB 1.402 68 residues pruned to eliminate duplicates Z: 81 46.276 2.103 0.635 0.592 0.950 0.675 CB 1.450 81 residues pruned to eliminate duplicates Z: 38 32.141 2.056 0.658 0.560 1.000 0.649 CB 1.462 38 residues pruned to eliminate duplicates Z: 39 30.265 2.052 0.674 0.533 0.947 0.526 CB 1.460 39 residues pruned to eliminate duplicates Z: 108 50.019 2.097 0.551 0.622 0.925 0.523 CB 1.433 108 residues pruned to eliminate duplicates Z: 72 44.162 2.099 0.693 0.538 0.958 0.577 CB 1.483 72 residues pruned to eliminate duplicates Z: 62 35.215 2.059 0.606 0.519 0.934 0.574 CB 1.432 62 residues pruned to eliminate duplicates Z: 129 55.691 2.083 0.532 0.629 0.938 0.547 CB 1.458 129 residues pruned to eliminate duplicates Z: 60 37.414 2.083 0.568 0.553 0.949 0.661 CB 1.492 60 residues pruned to eliminate duplicates Z: 36 29.348 2.125 0.542 0.524 0.943 0.514 CB 1.567 36 residues pruned to eliminate duplicates Z: 39 27.344 2.081 0.527 0.496 0.947 0.526 CB 1.479 39 residues pruned to eliminate duplicates Z: 123 58.161 2.119 0.611 0.637 0.926 0.607 CB 1.465 123 residues pruned to eliminate duplicates Z: 6 4.506 1.585 0.210 0.376 1.000 0.600 CA 1.200 6 residues pruned to eliminate duplicates Z: 36 29.124 2.126 0.497 0.524 0.943 0.686 CB 1.602 36 residues pruned to eliminate duplicates Z: 107 53.694 2.121 0.610 0.619 0.934 0.594 CB 1.461 107 residues pruned to eliminate duplicates Z: 120 60.166 2.114 0.620 0.651 0.941 0.571 CB 1.486 120 residues pruned to eliminate duplicates Z: 88 49.653 2.062 0.771 0.564 0.954 0.575 CB 1.435 103 residues pruned to eliminate duplicates Z: 7 5.400 1.450 0.535 0.399 1.000 0.500 CA 1.102 7 residues pruned to eliminate duplicates Z: 113 50.076 2.112 0.549 0.575 0.920 0.598 CB 1.464 113 residues pruned to eliminate duplicates Z: 17 12.352 2.149 0.381 0.235 1.000 0.375 CB 1.416 17 residues pruned to eliminate duplicates Z: 33 23.250 2.068 0.502 0.565 0.938 0.625 CB 1.325 33 residues pruned to eliminate duplicates Z: 152 67.257 2.113 0.697 0.625 0.940 0.536 CB 1.444 151 residues pruned to eliminate duplicates Z: 7 6.042 2.087 0.101 0.448 0.833 0.333 CA 1.359 7 residues pruned to eliminate duplicates Z: 17 13.997 2.184 0.520 0.267 0.938 0.562 CB 1.466 17 residues pruned to eliminate duplicates Z: 33 25.530 2.084 0.706 0.577 0.938 0.562 CB 1.258 33 residues pruned to eliminate duplicates Z: 31 29.067 2.139 0.827 0.599 0.967 0.567 CB 1.278 31 residues pruned to eliminate duplicates Z: 33 26.146 2.076 0.749 0.572 0.969 0.469 CB 1.226 33 residues pruned to eliminate duplicates Z: 6 2.199 1.674 0.226 0.301 0.800 0.400 CB 0.748 6 residues pruned to eliminate duplicates Z: 17 10.377 2.107 0.408 0.307 0.875 0.562 CB 1.238 17 residues pruned to eliminate duplicates Z: 32 27.330 2.095 0.726 0.578 0.968 0.613 CB 1.301 32 residues pruned to eliminate duplicates Z: 31 28.370 2.161 0.624 0.606 0.967 0.700 CB 1.381 31 residues pruned to eliminate duplicates Z: 33 31.224 2.090 0.825 0.596 0.969 0.594 CB 1.363 33 residues pruned to eliminate duplicates Z: 18 18.361 1.970 0.487 0.886 0.941 0.882 CA 1.166 18 residues pruned to eliminate duplicates Z: 33 24.552 2.073 0.680 0.583 0.906 0.625 CB 1.269 33 residues pruned to eliminate duplicates Z: 32 28.681 2.101 0.801 0.603 0.968 0.548 CB 1.275 33 residues pruned to eliminate duplicates Z: 16 24.424 2.060 0.853 0.890 0.933 0.800 CB 1.273 16 residues pruned to eliminate duplicates Z: 32 28.028 2.125 0.804 0.583 0.903 0.581 CB 1.343 32 residues pruned to eliminate duplicates Z: 34 25.196 2.045 0.686 0.611 0.909 0.606 CB 1.260 34 residues pruned to eliminate duplicates Z: 32 31.014 2.121 0.686 0.622 0.968 0.581 CB 1.435 32 residues pruned to eliminate duplicates Z: 32 28.150 2.119 0.677 0.640 0.935 0.742 CB 1.334 32 residues pruned to eliminate duplicates Z: 17 31.450 2.076 1.090 0.910 1.000 0.750 CA 1.285 17 residues pruned to eliminate duplicates Z: 33 32.577 2.065 0.787 0.630 1.000 0.688 CA 1.381 33 residues pruned to eliminate duplicates Z: 39 26.471 2.067 0.642 0.540 0.921 0.658 CB 1.321 39 residues pruned to eliminate duplicates Z: 85 43.432 2.049 0.613 0.536 0.964 0.631 CB 1.435 85 residues pruned to eliminate duplicates Z: 17 26.484 2.062 0.901 0.901 0.938 0.750 CA 1.286 17 residues pruned to eliminate duplicates Z: 17 29.815 2.063 1.109 0.912 0.938 0.688 CA 1.295 17 residues pruned to eliminate duplicates Z: 17 32.339 2.076 1.168 0.927 1.000 0.688 CB 1.259 17 residues pruned to eliminate duplicates Z: 6 3.920 1.514 0.552 0.360 0.800 0.200 CA 1.084 Z: 6 3.269 1.500 0.595 0.515 0.800 0.200 CA 0.753 6 residues pruned to eliminate duplicates Z: 21 16.734 1.914 0.712 0.492 0.900 0.500 CA 1.279 21 residues pruned to eliminate duplicates Z: 19 19.054 1.801 0.445 0.861 1.000 0.778 CA 1.267 19 residues pruned to eliminate duplicates Z: 22 17.546 1.956 0.445 0.690 0.905 0.714 CA 1.258 22 residues pruned to eliminate duplicates Z: 17 13.988 2.047 0.561 0.491 0.875 0.625 CA 1.262 17 residues pruned to eliminate duplicates Z: 12 15.816 1.882 0.310 0.923 1.000 0.909 CA 1.359 12 residues pruned to eliminate duplicates Z: 21 20.402 1.964 0.562 0.701 0.900 0.650 CA 1.375 21 residues pruned to eliminate duplicates Z: 25 21.988 1.816 0.579 0.666 1.000 0.708 CB 1.342 25 residues pruned to eliminate duplicates Z: 24 21.720 1.892 0.747 0.670 0.913 0.348 CA 1.282 24 residues pruned to eliminate duplicates Z: 17 20.833 1.969 0.904 0.495 1.000 0.375 CB 1.397 17 residues pruned to eliminate duplicates Z: 25 22.801 1.889 0.707 0.632 0.917 0.458 CB 1.391 25 residues pruned to eliminate duplicates Z: 23 27.327 2.000 0.817 0.678 0.955 0.273 CA 1.426 24 residues pruned to eliminate duplicates Z: 13 20.709 1.657 1.181 0.903 1.000 0.417 CB 1.179 13 residues pruned to eliminate duplicates Z: 23 28.624 1.996 0.905 0.671 0.955 0.364 CB 1.435 23 residues pruned to eliminate duplicates Z: 16 22.529 1.897 0.698 0.922 1.000 0.400 CB 1.270 16 residues pruned to eliminate duplicates Z: 24 25.385 1.873 0.905 0.638 1.000 0.261 CB 1.304 23 residues pruned to eliminate duplicates Z: 17 24.493 1.907 0.727 0.877 0.938 0.312 CB 1.441 18 residues pruned to eliminate duplicates Z: 16 25.100 1.900 0.872 0.905 1.000 0.333 CB 1.296 15 residues pruned to eliminate duplicates Z: 6 3.385 1.418 0.310 0.437 1.000 0.800 CA 0.869 Z: 6 3.826 1.802 0.196 0.433 0.800 0.200 CB 1.064 6 residues pruned to eliminate duplicates Z: 30 20.214 1.966 0.581 0.598 0.793 0.586 CB 1.387 36 residues pruned to eliminate duplicates Z: 41 23.461 1.909 0.586 0.562 0.875 0.575 CB 1.318 41 residues pruned to eliminate duplicates Z: 34 24.378 2.015 0.640 0.610 0.848 0.636 CB 1.364 34 residues pruned to eliminate duplicates Z: 27 24.612 1.995 0.529 0.692 0.962 0.808 CB 1.381 27 residues pruned to eliminate duplicates Z: 27 22.368 2.012 0.504 0.654 0.962 0.500 CB 1.306 27 residues pruned to eliminate duplicates Z: 27 24.139 1.951 0.467 0.674 1.000 0.538 CB 1.409 27 residues pruned to eliminate duplicates Z: 20 21.428 2.028 0.527 0.840 0.842 0.579 CB 1.406 20 residues pruned to eliminate duplicates Z: 32 24.026 1.975 0.767 0.567 0.871 0.419 CB 1.331 32 residues pruned to eliminate duplicates Z: 20 23.957 2.035 0.544 0.837 0.947 0.684 CB 1.381 20 residues pruned to eliminate duplicates Z: 26 28.594 2.046 0.690 0.712 0.960 0.640 CB 1.421 26 residues pruned to eliminate duplicates Z: 26 27.565 2.037 0.753 0.703 0.960 0.600 CB 1.336 26 residues pruned to eliminate duplicates Z: 34 26.964 2.034 0.788 0.631 0.848 0.455 CB 1.344 33 residues pruned to eliminate duplicates Z: 21 26.093 1.941 0.598 0.889 1.000 0.500 CB 1.355 21 residues pruned to eliminate duplicates Z: 20 24.912 2.010 0.791 0.844 0.895 0.421 CB 1.320 20 residues pruned to eliminate duplicates Z: 34 27.422 1.967 0.816 0.635 0.939 0.576 CB 1.253 34 residues pruned to eliminate duplicates Z: 20 24.176 2.014 0.749 0.831 0.895 0.474 CB 1.323 20 residues pruned to eliminate duplicates Z: 34 27.603 2.023 0.800 0.624 0.879 0.576 CB 1.336 34 residues pruned to eliminate duplicates Z: 19 29.679 2.002 0.838 0.937 0.944 0.333 CB 1.401 19 residues pruned to eliminate duplicates Z: 21 25.703 1.973 0.816 0.853 0.900 0.350 CB 1.317 21 residues pruned to eliminate duplicates Z: 20 29.048 1.971 0.805 0.897 1.000 0.474 CB 1.340 20 residues pruned to eliminate duplicates Z: 26 24.987 2.016 0.731 0.693 0.920 0.440 CB 1.305 26 residues pruned to eliminate duplicates Z: 15 20.655 1.916 0.795 0.827 1.000 0.643 CB 1.209 15 residues pruned to eliminate duplicates 381 residues left after pruning, divided into chains as follows: A: 172 B: 152 C: 23 D: 34 CC for partial structure against native data = 39.30 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.389, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.763 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.765 for dens.mod. cycle 4 = 0.300, Contrast = 0.552, Connect. = 0.767 for dens.mod. cycle 5 = 0.300, Contrast = 0.559, Connect. = 0.769 for dens.mod. cycle 6 = 0.300, Contrast = 0.566, Connect. = 0.770 for dens.mod. cycle 7 = 0.300, Contrast = 0.570, Connect. = 0.771 for dens.mod. cycle 8 = 0.300, Contrast = 0.575, Connect. = 0.772 for dens.mod. cycle 9 = 0.300, Contrast = 0.578, Connect. = 0.773 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2368 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 507 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 37.588 2.253 0.817 0.891 1.000 0.684 CA 1.515 B: 58 41.430 2.195 0.666 0.557 0.947 0.614 CB 1.498 C: 20 36.130 2.233 0.834 0.881 1.000 0.737 CB 1.466 21 residues pruned to eliminate duplicates D: 21 33.557 2.176 0.708 0.903 1.000 0.850 CA 1.439 20 residues pruned to eliminate duplicates E: 20 15.703 1.887 0.264 0.916 0.895 0.895 CA 1.192 F: 35 24.501 2.038 0.630 0.591 0.824 0.588 CB 1.408 20 residues pruned to eliminate duplicates G: 27 31.679 2.238 0.705 0.608 0.962 0.615 CB 1.529 27 residues pruned to eliminate duplicates H: 96 51.326 2.122 0.659 0.605 0.926 0.632 CB 1.461 60 residues pruned to eliminate duplicates I: 29 22.753 2.007 0.715 0.602 0.821 0.714 CB 1.380 29 residues pruned to eliminate duplicates J: 10 19.266 2.048 0.920 0.719 0.778 0.667 CB 1.722 10 residues pruned to eliminate duplicates K: 31 29.804 2.146 0.684 0.637 0.967 0.700 CB 1.370 L: 12 16.034 1.944 0.514 0.886 0.909 0.727 CB 1.303 12 residues pruned to eliminate duplicates M: 12 12.234 2.013 -0.053 0.930 1.000 0.909 CA 1.353 N: 17 19.560 1.950 0.313 0.911 1.000 0.750 CB 1.353 12 residues pruned to eliminate duplicates O: 20 18.309 1.895 0.451 0.921 0.895 0.474 CB 1.201 20 residues pruned to eliminate duplicates P: 18 18.883 1.899 0.340 0.815 0.941 0.588 CB 1.454 18 residues pruned to eliminate duplicates Q: 14 25.513 2.010 0.590 0.876 1.000 0.769 CA 1.609 R: 13 18.471 2.070 0.388 0.906 0.917 0.750 CA 1.440 S: 19 23.724 2.234 0.453 0.852 0.833 0.722 CB 1.530 19 residues pruned to eliminate duplicates T: 12 24.873 2.149 0.685 0.925 1.000 0.727 CA 1.454 12 residues pruned to eliminate duplicates U: 33 27.555 2.118 0.616 0.632 0.906 0.688 CB 1.387 34 residues pruned to eliminate duplicates V: 21 32.061 2.184 0.699 0.874 0.950 0.550 CA 1.480 21 residues pruned to eliminate duplicates W: 13 19.869 2.128 0.320 0.871 1.000 0.750 CB 1.489 13 residues pruned to eliminate duplicates X: 17 23.216 1.992 0.399 0.888 1.000 0.688 CB 1.500 17 residues pruned to eliminate duplicates Y: 40 26.996 2.036 0.497 0.469 0.974 0.615 CB 1.502 Z: 17 16.067 2.065 0.239 0.878 0.812 0.500 CB 1.403 Z: 13 26.788 2.130 0.833 0.922 1.000 0.500 CB 1.393 13 residues pruned to eliminate duplicates Z: 12 21.987 2.014 0.890 0.813 0.909 0.636 CB 1.459 12 residues pruned to eliminate duplicates Z: 19 19.583 2.032 0.225 0.895 0.944 0.889 CA 1.407 19 residues pruned to eliminate duplicates Z: 14 23.986 2.009 0.769 0.858 0.923 0.923 CB 1.494 14 residues pruned to eliminate duplicates Z: 16 16.978 1.872 0.224 0.926 1.000 0.867 CA 1.341 12 residues pruned to eliminate duplicates Z: 17 26.555 1.980 0.568 0.889 1.000 0.438 CB 1.539 17 residues pruned to eliminate duplicates Z: 17 23.772 1.998 0.515 0.922 1.000 0.875 CB 1.380 Z: 14 23.460 2.022 0.781 0.804 1.000 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 20 33.553 2.250 0.638 0.908 0.947 0.684 CB 1.566 20 residues pruned to eliminate duplicates Z: 19 35.648 2.290 0.775 0.901 0.944 0.611 CA 1.562 19 residues pruned to eliminate duplicates Z: 6 3.122 1.983 0.316 0.622 0.800 0.600 CB 0.596 Z: 11 7.858 1.869 0.157 0.878 0.800 0.500 CB 1.043 Z: 13 20.071 1.981 0.612 0.829 1.000 0.667 CB 1.365 13 residues pruned to eliminate duplicates Z: 12 22.409 2.221 0.413 0.886 1.000 0.909 CB 1.552 12 residues pruned to eliminate duplicates Z: 95 50.493 2.124 0.645 0.610 0.926 0.606 CB 1.451 95 residues pruned to eliminate duplicates Z: 14 22.118 2.014 0.464 0.901 1.000 0.769 CB 1.486 14 residues pruned to eliminate duplicates Z: 13 20.854 2.132 0.525 0.858 1.000 0.667 CB 1.363 13 residues pruned to eliminate duplicates Z: 58 39.308 2.080 0.622 0.577 0.947 0.614 CB 1.512 54 residues pruned to eliminate duplicates Z: 19 20.503 2.076 0.221 0.868 0.944 0.667 CB 1.476 17 residues pruned to eliminate duplicates Z: 19 44.645 2.297 1.162 0.916 1.000 0.667 CB 1.496 20 residues pruned to eliminate duplicates Z: 9 10.976 2.060 0.453 0.737 0.875 0.625 CB 1.198 9 residues pruned to eliminate duplicates Z: 21 36.322 2.178 0.887 0.897 0.950 0.500 CA 1.489 21 residues pruned to eliminate duplicates Z: 21 28.923 2.138 0.597 0.866 1.000 0.750 CA 1.387 21 residues pruned to eliminate duplicates Z: 18 19.291 2.068 0.578 0.875 0.882 0.176 CB 1.181 18 residues pruned to eliminate duplicates Z: 72 40.027 2.091 0.558 0.577 0.944 0.563 CB 1.434 57 residues pruned to eliminate duplicates Z: 48 39.546 2.037 0.735 0.734 0.915 0.468 CB 1.446 48 residues pruned to eliminate duplicates Z: 14 16.354 1.997 0.291 0.806 0.923 0.615 CA 1.460 14 residues pruned to eliminate duplicates Z: 13 21.862 2.037 0.529 0.866 1.000 0.833 CA 1.484 13 residues pruned to eliminate duplicates Z: 42 26.515 1.981 0.601 0.466 0.927 0.561 CB 1.459 42 residues pruned to eliminate duplicates Z: 18 23.632 1.945 0.376 0.942 1.000 0.824 CA 1.486 18 residues pruned to eliminate duplicates Z: 33 25.464 2.053 0.632 0.582 0.969 0.656 CB 1.282 32 residues pruned to eliminate duplicates Z: 13 27.510 2.122 0.763 0.894 1.000 0.750 CA 1.523 13 residues pruned to eliminate duplicates Z: 12 21.600 2.037 0.673 0.924 1.000 1.000 CA 1.342 12 residues pruned to eliminate duplicates Z: 22 18.855 1.793 0.401 0.870 0.952 0.714 CA 1.255 22 residues pruned to eliminate duplicates Z: 20 35.786 2.231 0.807 0.885 0.947 0.526 CA 1.552 20 residues pruned to eliminate duplicates Z: 9 10.904 1.771 0.297 0.800 0.875 0.500 C 1.476 12 residues pruned to eliminate duplicates Z: 13 26.229 2.122 0.539 0.914 1.000 1.000 CA 1.639 13 residues pruned to eliminate duplicates Z: 12 18.203 2.062 0.722 0.866 0.909 0.636 CB 1.245 12 residues pruned to eliminate duplicates Z: 20 32.562 2.233 0.640 0.877 1.000 0.842 CA 1.481 20 residues pruned to eliminate duplicates Z: 15 13.876 1.910 0.345 0.530 0.929 0.714 CB 1.509 15 residues pruned to eliminate duplicates Z: 13 16.122 2.050 0.255 0.894 1.000 0.833 CB 1.298 13 residues pruned to eliminate duplicates Z: 18 24.216 1.943 0.482 0.884 1.000 0.647 CB 1.474 17 residues pruned to eliminate duplicates Z: 18 29.163 1.927 0.935 0.916 0.941 0.706 CB 1.424 18 residues pruned to eliminate duplicates Z: 12 13.860 2.012 0.146 0.860 1.000 0.818 CA 1.332 12 residues pruned to eliminate duplicates Z: 13 15.668 1.995 0.355 0.890 0.917 0.833 CB 1.313 13 residues pruned to eliminate duplicates Z: 19 22.215 2.082 0.310 0.880 0.944 0.667 CB 1.473 19 residues pruned to eliminate duplicates Z: 23 23.564 2.019 0.967 0.659 0.773 0.591 CB 1.413 23 residues pruned to eliminate duplicates Z: 19 35.278 2.334 0.831 0.876 0.889 0.833 CB 1.591 19 residues pruned to eliminate duplicates Z: 14 22.842 2.057 0.539 0.860 1.000 0.769 CB 1.471 18 residues pruned to eliminate duplicates Z: 38 36.795 2.085 0.871 0.685 0.865 0.486 CB 1.513 38 residues pruned to eliminate duplicates Z: 28 20.206 1.956 0.428 0.609 0.889 0.593 CB 1.412 28 residues pruned to eliminate duplicates Z: 13 22.723 2.083 0.433 0.869 1.000 0.750 CB 1.605 13 residues pruned to eliminate duplicates Z: 13 26.558 2.161 0.534 0.913 1.000 0.917 CB 1.636 13 residues pruned to eliminate duplicates Z: 17 34.170 2.060 0.916 0.928 1.000 0.812 CB 1.516 17 residues pruned to eliminate duplicates Z: 14 22.224 1.954 0.587 0.862 1.000 0.769 CA 1.460 14 residues pruned to eliminate duplicates Z: 14 27.523 1.947 0.766 0.915 1.000 0.846 CB 1.569 14 residues pruned to eliminate duplicates Z: 19 24.448 2.066 0.420 0.867 1.000 0.667 CB 1.437 19 residues pruned to eliminate duplicates Z: 12 23.467 1.971 0.810 0.923 1.000 0.636 CB 1.394 12 residues pruned to eliminate duplicates Z: 15 18.035 2.105 0.399 0.894 1.000 0.786 CB 1.175 15 residues pruned to eliminate duplicates Z: 13 21.934 2.112 0.416 0.837 1.000 0.500 CB 1.584 13 residues pruned to eliminate duplicates Z: 15 13.254 1.815 0.342 0.851 0.929 0.857 CA 1.160 15 residues pruned to eliminate duplicates Z: 20 37.952 2.165 1.017 0.878 1.000 0.316 CB 1.447 20 residues pruned to eliminate duplicates Z: 21 29.229 2.151 0.689 0.718 0.950 0.700 CB 1.554 21 residues pruned to eliminate duplicates Z: 7 10.927 1.970 0.231 0.863 1.000 0.667 CB 1.350 4 residues pruned to eliminate duplicates Z: 18 16.906 1.716 0.456 0.897 1.000 0.824 CA 1.175 16 residues pruned to eliminate duplicates Z: 21 25.529 2.087 0.423 0.882 1.000 0.900 CA 1.391 21 residues pruned to eliminate duplicates Z: 13 25.273 1.983 0.747 0.838 1.000 0.750 CB 1.574 13 residues pruned to eliminate duplicates Z: 17 22.634 1.986 0.363 0.891 0.938 0.750 CB 1.602 17 residues pruned to eliminate duplicates Z: 6 10.495 1.977 0.208 0.857 1.000 0.600 CA 1.449 6 residues pruned to eliminate duplicates Z: 17 9.754 2.050 0.343 0.358 0.812 0.562 CB 1.271 16 residues pruned to eliminate duplicates Z: 46 30.015 2.125 0.524 0.494 0.978 0.667 CB 1.422 46 residues pruned to eliminate duplicates Z: 18 26.429 1.908 0.858 0.923 1.000 0.824 CA 1.271 Z: 48 31.607 2.124 0.550 0.536 0.936 0.574 CB 1.444 48 residues pruned to eliminate duplicates Z: 103 47.216 2.102 0.524 0.622 0.922 0.647 CB 1.412 98 residues pruned to eliminate duplicates Z: 13 27.050 2.150 0.649 0.918 1.000 0.833 CA 1.552 13 residues pruned to eliminate duplicates Z: 9 10.050 2.009 -0.178 0.912 1.000 0.875 CB 1.525 9 residues pruned to eliminate duplicates Z: 20 42.584 2.263 1.133 0.910 0.947 0.579 CA 1.515 19 residues pruned to eliminate duplicates Z: 14 24.359 1.978 0.669 0.840 1.000 0.615 CB 1.527 14 residues pruned to eliminate duplicates Z: 12 24.493 2.200 0.462 0.915 1.000 0.818 CB 1.623 12 residues pruned to eliminate duplicates Z: 37 26.893 2.045 0.522 0.477 0.972 0.611 CA 1.515 37 residues pruned to eliminate duplicates Z: 17 24.402 2.059 0.884 0.903 0.938 0.688 CA 1.196 17 residues pruned to eliminate duplicates Z: 16 19.162 1.847 0.395 0.920 1.000 0.800 CA 1.352 17 residues pruned to eliminate duplicates Z: 13 22.750 2.136 0.460 0.846 1.000 0.750 CB 1.564 13 residues pruned to eliminate duplicates Z: 18 25.154 1.937 0.855 0.909 0.941 0.588 CA 1.281 18 residues pruned to eliminate duplicates Z: 18 26.759 1.971 0.748 0.883 0.941 0.529 CB 1.447 18 residues pruned to eliminate duplicates Z: 19 25.333 1.886 0.962 0.853 0.944 0.500 CA 1.262 19 residues pruned to eliminate duplicates Z: 16 25.256 2.042 0.579 0.895 0.933 0.667 CB 1.553 16 residues pruned to eliminate duplicates Z: 17 26.937 2.082 0.795 0.926 1.000 0.875 CA 1.263 18 residues pruned to eliminate duplicates Z: 17 24.249 2.020 0.450 0.938 0.938 0.625 CB 1.535 17 residues pruned to eliminate duplicates Z: 16 10.911 2.149 0.385 0.402 0.800 0.467 CB 1.312 16 residues pruned to eliminate duplicates Z: 13 22.895 2.064 0.863 0.877 0.917 0.417 CB 1.361 13 residues pruned to eliminate duplicates Z: 17 21.331 2.040 0.741 0.893 0.938 0.688 CA 1.150 17 residues pruned to eliminate duplicates Z: 104 52.059 2.108 0.544 0.633 0.961 0.592 CB 1.447 104 residues pruned to eliminate duplicates Z: 18 22.167 2.008 0.680 0.912 1.000 0.706 CA 1.128 18 residues pruned to eliminate duplicates Z: 32 23.450 2.084 0.483 0.658 0.935 0.742 CA 1.259 32 residues pruned to eliminate duplicates Z: 13 15.064 2.041 0.228 0.864 0.917 0.917 CA 1.387 13 residues pruned to eliminate duplicates Z: 6 11.582 2.123 0.349 0.864 1.000 1.000 CB 1.326 7 residues pruned to eliminate duplicates Z: 12 24.697 2.017 0.815 0.930 1.000 0.636 CB 1.423 12 residues pruned to eliminate duplicates Z: 15 19.961 1.903 0.613 0.874 1.000 0.786 CB 1.265 17 residues pruned to eliminate duplicates Z: 20 29.931 2.172 0.680 0.908 1.000 0.842 CA 1.337 20 residues pruned to eliminate duplicates Z: 6 6.545 1.934 -0.048 0.871 1.000 0.800 CB 1.160 6 residues pruned to eliminate duplicates Z: 13 18.802 1.892 0.897 0.799 0.833 0.583 CA 1.398 13 residues pruned to eliminate duplicates Z: 12 26.498 2.106 0.790 0.924 1.000 0.818 CA 1.488 12 residues pruned to eliminate duplicates Z: 49 32.261 1.989 0.604 0.510 0.958 0.562 CB 1.507 49 residues pruned to eliminate duplicates Z: 13 21.898 2.052 0.826 0.919 0.917 0.500 CB 1.298 13 residues pruned to eliminate duplicates Z: 12 15.395 1.938 0.461 0.868 0.909 0.727 CA 1.319 12 residues pruned to eliminate duplicates Z: 18 18.786 1.894 0.342 0.892 0.941 0.824 CA 1.368 18 residues pruned to eliminate duplicates Z: 6 3.006 1.692 -0.022 0.496 0.600 0.600 CA 1.359 Z: 6 8.325 1.920 0.126 0.857 1.000 1.000 CA 1.269 6 residues pruned to eliminate duplicates Z: 9 10.734 1.875 0.342 0.829 0.875 0.750 CA 1.297 9 residues pruned to eliminate duplicates Z: 13 18.939 2.117 0.385 0.862 1.000 0.750 CB 1.370 13 residues pruned to eliminate duplicates Z: 20 12.889 1.899 0.734 0.467 0.842 0.368 CB 1.103 9 residues pruned to eliminate duplicates Z: 9 6.682 2.003 -0.034 0.502 0.875 0.625 CA 1.392 9 residues pruned to eliminate duplicates Z: 12 19.299 2.028 0.417 0.843 1.000 0.909 CB 1.508 12 residues pruned to eliminate duplicates Z: 19 25.883 1.901 0.867 0.828 1.000 0.722 CA 1.294 19 residues pruned to eliminate duplicates Z: 17 17.318 1.944 0.128 0.874 1.000 0.750 CB 1.437 17 residues pruned to eliminate duplicates Z: 16 30.107 2.015 0.992 0.942 0.933 0.600 CB 1.439 16 residues pruned to eliminate duplicates Z: 17 19.247 2.006 0.690 0.891 0.938 0.875 CA 1.089 17 residues pruned to eliminate duplicates Z: 19 24.787 1.921 0.889 0.871 0.944 0.667 CA 1.244 19 residues pruned to eliminate duplicates Z: 14 21.237 2.002 0.668 0.833 1.000 0.769 CB 1.323 14 residues pruned to eliminate duplicates Z: 17 26.966 2.000 0.883 0.914 0.938 0.812 CA 1.351 17 residues pruned to eliminate duplicates Z: 21 19.633 1.882 0.448 0.864 0.900 0.550 CB 1.313 21 residues pruned to eliminate duplicates Z: 15 14.018 1.766 0.401 0.843 1.000 0.857 CA 1.128 15 residues pruned to eliminate duplicates Z: 19 18.836 1.980 0.175 0.928 0.944 0.722 CA 1.415 19 residues pruned to eliminate duplicates Z: 17 25.268 2.040 0.794 0.891 0.875 0.625 CB 1.418 17 residues pruned to eliminate duplicates Z: 18 21.663 1.820 0.530 0.871 1.000 0.529 CB 1.376 17 residues pruned to eliminate duplicates Z: 15 16.954 2.103 0.169 0.655 1.000 0.714 CB 1.595 18 residues pruned to eliminate duplicates Z: 17 21.053 1.853 0.487 0.897 1.000 0.625 CA 1.367 18 residues pruned to eliminate duplicates Z: 44 29.530 2.046 0.557 0.722 0.907 0.581 CB 1.275 44 residues pruned to eliminate duplicates Z: 42 31.572 2.094 0.522 0.735 0.902 0.561 CB 1.388 42 residues pruned to eliminate duplicates Z: 18 24.760 1.937 0.754 0.837 1.000 0.706 CA 1.323 18 residues pruned to eliminate duplicates Z: 13 19.215 1.937 0.783 0.859 0.917 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 13 21.088 2.126 0.325 0.858 1.000 0.667 CB 1.592 13 residues pruned to eliminate duplicates Z: 18 26.152 1.956 0.517 0.912 1.000 0.941 CA 1.514 18 residues pruned to eliminate duplicates Z: 20 34.133 2.257 0.602 0.904 1.000 0.842 CA 1.542 20 residues pruned to eliminate duplicates Z: 75 40.804 2.112 0.704 0.525 0.932 0.581 CB 1.380 75 residues pruned to eliminate duplicates Z: 18 27.809 1.937 0.962 0.914 0.941 0.529 CA 1.333 18 residues pruned to eliminate duplicates Z: 66 45.640 2.098 0.623 0.762 0.908 0.554 CB 1.452 66 residues pruned to eliminate duplicates Z: 13 21.762 2.103 0.582 0.829 1.000 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 16 8.269 1.969 0.472 0.395 0.733 0.467 CB 1.123 16 residues pruned to eliminate duplicates Z: 11 25.711 2.111 0.923 0.898 0.900 0.900 CB 1.591 11 residues pruned to eliminate duplicates Z: 19 24.374 2.062 0.697 0.878 0.889 0.500 CB 1.341 19 residues pruned to eliminate duplicates Z: 6 3.785 1.835 0.256 0.650 0.800 0.600 CB 0.799 Z: 13 20.608 2.095 0.358 0.832 1.000 0.667 CB 1.569 13 residues pruned to eliminate duplicates Z: 9 9.696 1.826 0.681 0.531 0.875 0.500 CB 1.238 8 residues pruned to eliminate duplicates Z: 13 26.378 2.100 0.762 0.906 1.000 0.917 CA 1.463 13 residues pruned to eliminate duplicates Z: 7 9.280 1.783 0.361 0.832 1.000 0.667 CB 1.172 7 residues pruned to eliminate duplicates Z: 16 18.852 1.856 0.471 0.875 1.000 0.600 CA 1.296 16 residues pruned to eliminate duplicates Z: 14 8.121 2.112 0.127 0.395 0.846 0.462 CB 1.249 14 residues pruned to eliminate duplicates Z: 13 20.128 2.111 0.346 0.835 1.000 0.750 CB 1.531 13 residues pruned to eliminate duplicates Z: 12 17.615 1.732 0.826 0.900 1.000 0.636 CB 1.199 12 residues pruned to eliminate duplicates Z: 100 49.272 2.176 0.635 0.565 0.899 0.687 CB 1.454 103 residues pruned to eliminate duplicates Z: 20 25.516 2.186 0.392 0.923 0.947 0.632 CA 1.428 20 residues pruned to eliminate duplicates Z: 18 20.647 1.979 0.685 0.890 1.000 0.765 CA 1.080 18 residues pruned to eliminate duplicates Z: 7 13.854 1.986 0.565 0.853 1.000 0.833 CB 1.345 7 residues pruned to eliminate duplicates Z: 25 18.850 2.151 0.393 0.492 0.917 0.708 CB 1.412 25 residues pruned to eliminate duplicates Z: 12 23.703 2.064 1.016 0.833 0.909 0.455 CB 1.418 12 residues pruned to eliminate duplicates Z: 13 19.580 2.114 0.486 0.929 0.917 0.583 CA 1.374 13 residues pruned to eliminate duplicates Z: 22 17.165 1.882 0.624 0.484 0.857 0.429 CA 1.453 22 residues pruned to eliminate duplicates Z: 12 19.429 2.068 0.698 0.916 1.000 0.909 CA 1.178 12 residues pruned to eliminate duplicates Z: 16 8.850 1.624 0.628 0.503 0.733 0.133 N 1.175 Z: 17 19.079 1.949 0.272 0.834 1.000 0.688 CB 1.441 17 residues pruned to eliminate duplicates Z: 17 14.197 1.929 0.603 0.489 0.875 0.562 CB 1.325 17 residues pruned to eliminate duplicates Z: 18 25.993 2.004 0.898 0.899 1.000 0.706 CA 1.185 18 residues pruned to eliminate duplicates Z: 17 31.625 1.947 0.938 0.926 1.000 0.625 CB 1.470 18 residues pruned to eliminate duplicates Z: 15 22.972 2.097 0.445 0.832 1.000 0.643 CB 1.521 15 residues pruned to eliminate duplicates Z: 12 19.813 2.058 0.664 0.911 0.909 0.545 CB 1.359 12 residues pruned to eliminate duplicates Z: 17 17.759 1.952 0.247 0.912 1.000 0.875 CB 1.291 17 residues pruned to eliminate duplicates Z: 10 11.738 1.791 0.445 0.806 1.000 0.556 CB 1.158 10 residues pruned to eliminate duplicates Z: 16 29.525 2.001 0.696 0.934 1.000 0.533 CB 1.566 16 residues pruned to eliminate duplicates Z: 12 17.877 2.082 0.370 0.901 1.000 0.455 CB 1.349 12 residues pruned to eliminate duplicates Z: 17 21.816 1.895 0.727 0.896 0.875 0.375 CB 1.364 17 residues pruned to eliminate duplicates Z: 7 4.821 1.766 0.824 0.641 0.833 0.667 CB 0.642 Z: 19 16.083 1.851 0.372 0.860 1.000 0.833 CA 1.097 19 residues pruned to eliminate duplicates Z: 17 30.875 1.999 1.034 0.929 1.000 0.500 CB 1.329 17 residues pruned to eliminate duplicates Z: 82 51.941 2.087 0.683 0.748 0.914 0.593 CB 1.441 82 residues pruned to eliminate duplicates Z: 8 10.911 1.927 0.141 0.887 1.000 0.857 CB 1.352 8 residues pruned to eliminate duplicates Z: 26 31.940 2.141 0.736 0.718 0.920 0.800 CA 1.533 26 residues pruned to eliminate duplicates Z: 18 26.589 2.032 0.870 0.937 0.941 0.235 CB 1.255 18 residues pruned to eliminate duplicates Z: 43 33.058 2.161 0.648 0.610 0.905 0.548 CB 1.426 43 residues pruned to eliminate duplicates Z: 28 14.157 1.928 0.311 0.486 0.889 0.556 CB 1.229 28 residues pruned to eliminate duplicates Z: 14 15.943 1.954 0.618 0.870 0.923 0.385 CB 1.105 14 residues pruned to eliminate duplicates Z: 19 22.507 2.029 0.299 0.892 1.000 0.889 CA 1.445 19 residues pruned to eliminate duplicates Z: 39 31.564 2.081 0.597 0.788 0.895 0.658 CB 1.338 39 residues pruned to eliminate duplicates Z: 17 26.287 2.077 1.011 0.905 0.938 0.812 CA 1.195 17 residues pruned to eliminate duplicates Z: 12 24.840 2.198 0.552 0.901 1.000 0.727 CB 1.567 12 residues pruned to eliminate duplicates Z: 12 11.507 1.903 0.842 0.489 0.909 0.636 CB 1.101 12 residues pruned to eliminate duplicates Z: 14 17.600 2.033 0.215 0.842 1.000 0.769 CA 1.471 14 residues pruned to eliminate duplicates Z: 20 24.956 1.980 0.679 0.929 0.947 0.368 CB 1.272 20 residues pruned to eliminate duplicates Z: 19 37.600 2.280 0.818 0.911 1.000 0.722 CB 1.516 19 residues pruned to eliminate duplicates Z: 32 28.740 2.070 0.674 0.631 0.968 0.613 CA 1.361 32 residues pruned to eliminate duplicates Z: 17 28.902 1.956 0.794 0.861 1.000 0.375 CB 1.513 17 residues pruned to eliminate duplicates Z: 89 54.924 2.122 0.813 0.618 0.932 0.523 CB 1.461 89 residues pruned to eliminate duplicates Z: 6 4.631 1.734 -0.173 0.680 1.000 1.000 CA 1.225 6 residues pruned to eliminate duplicates Z: 19 26.980 2.236 0.465 0.903 0.944 0.667 CB 1.465 19 residues pruned to eliminate duplicates Z: 57 27.475 2.097 0.590 0.479 0.857 0.571 CB 1.312 57 residues pruned to eliminate duplicates Z: 60 36.035 2.054 0.622 0.569 0.949 0.525 CB 1.388 60 residues pruned to eliminate duplicates Z: 6 6.068 1.958 0.185 0.664 0.800 0.800 CB 1.255 6 residues pruned to eliminate duplicates Z: 7 6.348 1.702 0.003 0.552 1.000 0.667 C 1.443 Z: 9 16.327 1.842 0.588 0.846 1.000 0.875 CA 1.465 25 residues pruned to eliminate duplicates Z: 16 24.214 1.966 0.750 0.920 0.867 0.400 CB 1.476 16 residues pruned to eliminate duplicates Z: 6 7.276 1.865 0.039 0.884 1.000 1.000 CB 1.213 6 residues pruned to eliminate duplicates Z: 17 18.286 1.973 0.283 0.884 0.938 0.750 CB 1.393 17 residues pruned to eliminate duplicates Z: 19 16.848 1.994 0.616 0.500 1.000 0.556 CB 1.232 19 residues pruned to eliminate duplicates Z: 24 10.384 1.808 0.691 0.351 0.739 0.478 CB 1.126 24 residues pruned to eliminate duplicates Z: 32 29.037 2.079 0.719 0.646 0.935 0.806 CA 1.361 32 residues pruned to eliminate duplicates Z: 16 20.446 1.966 0.277 0.878 1.000 0.933 CA 1.526 16 residues pruned to eliminate duplicates Z: 17 22.980 1.815 0.619 0.876 1.000 0.562 CA 1.421 17 residues pruned to eliminate duplicates Z: 63 45.312 2.052 0.598 0.756 0.935 0.500 CB 1.494 63 residues pruned to eliminate duplicates Z: 9 10.857 1.873 0.435 0.886 0.875 0.250 CB 1.178 9 residues pruned to eliminate duplicates Z: 7 2.364 1.380 0.485 0.389 0.667 0.500 CB 0.795 Z: 17 32.375 2.034 0.848 0.920 1.000 0.375 CB 1.517 17 residues pruned to eliminate duplicates Z: 16 13.420 1.887 -0.073 0.942 1.000 1.000 CA 1.373 16 residues pruned to eliminate duplicates Z: 6 3.277 1.886 -0.394 0.843 1.000 0.800 CB 0.955 6 residues pruned to eliminate duplicates Z: 6 8.787 1.630 0.414 0.848 1.000 0.600 CB 1.265 6 residues pruned to eliminate duplicates Z: 6 9.402 2.037 0.120 0.857 1.000 1.000 CA 1.359 6 residues pruned to eliminate duplicates Z: 20 17.775 1.917 0.375 0.597 0.947 0.526 CA 1.488 20 residues pruned to eliminate duplicates Z: 18 24.736 1.934 0.642 0.939 1.000 0.647 CB 1.313 18 residues pruned to eliminate duplicates Z: 17 23.442 1.997 0.803 0.897 1.000 0.562 CB 1.166 17 residues pruned to eliminate duplicates Z: 14 18.423 1.846 0.732 0.829 0.923 0.231 CB 1.302 14 residues pruned to eliminate duplicates Z: 63 42.770 2.049 0.665 0.730 0.935 0.500 CB 1.383 63 residues pruned to eliminate duplicates Z: 13 16.682 2.128 0.320 0.880 0.917 0.583 CB 1.355 13 residues pruned to eliminate duplicates Z: 18 24.134 1.975 0.480 0.926 1.000 0.765 CB 1.405 18 residues pruned to eliminate duplicates Z: 11 25.704 2.175 0.924 0.928 1.000 0.500 CB 1.360 11 residues pruned to eliminate duplicates Z: 15 20.466 1.777 0.837 0.905 0.929 0.429 CB 1.283 15 residues pruned to eliminate duplicates Z: 12 19.291 2.016 0.648 0.910 0.818 0.727 CB 1.517 12 residues pruned to eliminate duplicates Z: 10 11.513 1.913 0.312 0.861 0.889 0.667 CA 1.265 10 residues pruned to eliminate duplicates Z: 7 8.089 1.956 0.563 0.624 0.833 0.833 CB 1.153 7 residues pruned to eliminate duplicates Z: 8 12.489 1.810 0.831 0.851 1.000 0.857 CB 1.055 8 residues pruned to eliminate duplicates Z: 47 33.877 2.003 0.660 0.757 0.913 0.500 CB 1.309 47 residues pruned to eliminate duplicates Z: 16 20.521 1.976 0.619 0.855 0.867 0.533 CB 1.410 16 residues pruned to eliminate duplicates Z: 11 7.023 1.765 0.140 0.363 0.800 0.500 O 1.598 11 residues pruned to eliminate duplicates Z: 14 18.704 1.908 0.573 0.875 0.923 0.769 CA 1.363 14 residues pruned to eliminate duplicates Z: 15 23.295 2.024 0.512 0.941 1.000 1.000 CA 1.411 15 residues pruned to eliminate duplicates Z: 21 23.608 2.064 0.829 0.662 0.850 0.450 CB 1.416 21 residues pruned to eliminate duplicates Z: 16 19.318 1.890 0.263 0.905 1.000 0.733 CA 1.487 16 residues pruned to eliminate duplicates Z: 17 33.463 1.985 1.006 0.942 1.000 0.562 CB 1.458 17 residues pruned to eliminate duplicates Z: 17 20.429 1.858 0.612 0.886 1.000 0.250 CB 1.230 17 residues pruned to eliminate duplicates Z: 18 23.141 2.036 0.661 0.923 0.882 0.353 CB 1.321 18 residues pruned to eliminate duplicates Z: 19 19.293 2.047 0.157 0.867 1.000 0.778 CB 1.404 19 residues pruned to eliminate duplicates Z: 14 18.101 1.960 0.779 0.913 0.923 0.692 CB 1.103 14 residues pruned to eliminate duplicates Z: 21 22.104 1.951 0.581 0.879 0.850 0.400 CB 1.366 20 residues pruned to eliminate duplicates Z: 15 12.454 1.736 0.264 0.888 1.000 0.929 CA 1.093 15 residues pruned to eliminate duplicates Z: 13 25.931 2.086 0.868 0.896 1.000 0.417 CB 1.377 13 residues pruned to eliminate duplicates Z: 12 10.452 1.693 0.267 0.858 1.000 0.818 CB 1.082 Z: 17 15.583 1.952 0.799 0.605 0.938 0.375 CB 1.071 17 residues pruned to eliminate duplicates 6 1.655 1.083 0.409 0.277 0.800 0.400 CB 0.781 ? Z: 21 22.559 1.890 0.535 0.892 0.950 0.600 CA 1.314 21 residues pruned to eliminate duplicates Z: 11 22.675 1.868 1.086 0.829 1.000 0.300 CA 1.386 11 residues pruned to eliminate duplicates Z: 18 25.354 1.915 0.744 0.901 1.000 0.765 CA 1.314 18 residues pruned to eliminate duplicates Z: 21 18.992 1.851 0.455 0.853 0.950 0.700 CA 1.226 21 residues pruned to eliminate duplicates Z: 17 20.935 1.864 0.527 0.909 1.000 0.750 CA 1.305 17 residues pruned to eliminate duplicates Z: 129 50.837 2.065 0.559 0.598 0.914 0.594 CB 1.390 128 residues pruned to eliminate duplicates Z: 37 30.089 2.109 0.340 0.806 0.944 0.639 CB 1.438 37 residues pruned to eliminate duplicates Z: 16 34.264 2.045 0.974 0.943 1.000 0.800 CB 1.518 16 residues pruned to eliminate duplicates Z: 13 29.194 2.108 0.899 0.918 1.000 0.750 CA 1.484 13 residues pruned to eliminate duplicates Z: 13 13.657 1.930 0.552 0.746 0.917 0.667 CB 1.152 13 residues pruned to eliminate duplicates Z: 14 26.802 2.017 0.948 0.848 0.923 0.846 CA 1.520 14 residues pruned to eliminate duplicates Z: 17 26.991 2.014 0.852 0.913 0.938 0.562 CB 1.365 17 residues pruned to eliminate duplicates Z: 13 20.181 2.142 0.224 0.874 1.000 0.917 CB 1.617 13 residues pruned to eliminate duplicates Z: 11 26.149 2.165 1.003 0.926 1.000 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 20 20.724 1.862 0.526 0.902 0.842 0.526 CA 1.417 20 residues pruned to eliminate duplicates Z: 14 18.602 1.989 0.345 0.826 0.923 0.462 CB 1.575 14 residues pruned to eliminate duplicates Z: 27 16.060 1.922 0.626 0.470 0.808 0.462 CB 1.286 27 residues pruned to eliminate duplicates Z: 31 22.730 2.087 0.641 0.526 0.833 0.600 CB 1.417 31 residues pruned to eliminate duplicates Z: 105 49.095 2.078 0.561 0.642 0.942 0.625 CB 1.378 105 residues pruned to eliminate duplicates Z: 16 21.850 1.933 0.324 0.935 1.000 0.933 CB 1.536 16 residues pruned to eliminate duplicates Z: 11 24.709 2.188 0.642 0.910 1.000 0.900 CB 1.543 11 residues pruned to eliminate duplicates Z: 12 24.778 2.202 0.526 0.880 1.000 0.818 CB 1.611 12 residues pruned to eliminate duplicates Z: 20 16.893 1.741 0.377 0.943 0.895 0.895 CA 1.252 20 residues pruned to eliminate duplicates Z: 12 13.994 2.018 0.170 0.899 1.000 0.545 CB 1.278 12 residues pruned to eliminate duplicates Z: 16 22.991 1.871 0.729 0.934 0.933 0.533 CB 1.371 16 residues pruned to eliminate duplicates Z: 6 6.331 1.657 0.787 0.638 0.800 0.800 CB 1.050 6 residues pruned to eliminate duplicates 6 1.777 1.262 0.463 0.420 0.600 0.400 C 0.780 ? Z: 61 41.938 2.059 0.614 0.783 0.900 0.533 CB 1.411 61 residues pruned to eliminate duplicates Z: 14 10.549 1.797 0.500 0.605 0.923 0.538 CB 1.064 14 residues pruned to eliminate duplicates Z: 68 39.652 2.081 0.596 0.560 0.940 0.761 CB 1.464 68 residues pruned to eliminate duplicates Z: 6 7.580 1.629 0.569 0.720 1.000 0.400 C 1.087 6 residues pruned to eliminate duplicates Z: 26 20.211 2.144 0.470 0.537 0.960 0.560 CB 1.288 26 residues pruned to eliminate duplicates Z: 37 32.467 2.136 0.787 0.520 0.972 0.611 CB 1.429 37 residues pruned to eliminate duplicates Z: 21 38.210 2.168 0.949 0.881 1.000 0.550 CA 1.464 21 residues pruned to eliminate duplicates Z: 6 3.127 1.558 0.019 0.504 0.800 0.800 CA 1.097 6 residues pruned to eliminate duplicates Z: 14 11.376 1.859 0.701 0.794 0.846 0.538 CB 0.911 14 residues pruned to eliminate duplicates Z: 13 22.763 2.008 0.815 0.839 0.917 0.250 CA 1.469 13 residues pruned to eliminate duplicates Z: 18 22.385 1.916 0.674 0.884 1.000 0.647 CA 1.223 18 residues pruned to eliminate duplicates Z: 15 9.661 2.122 0.160 0.413 0.857 0.571 CB 1.340 15 residues pruned to eliminate duplicates Z: 43 31.839 1.973 0.591 0.702 0.929 0.619 CB 1.402 43 residues pruned to eliminate duplicates Z: 18 18.970 1.880 0.114 0.908 1.000 0.882 CA 1.561 18 residues pruned to eliminate duplicates Z: 30 28.516 2.128 0.679 0.615 0.966 0.655 CB 1.377 30 residues pruned to eliminate duplicates Z: 18 14.802 2.043 0.001 0.910 0.941 0.824 CB 1.323 18 residues pruned to eliminate duplicates Z: 13 21.978 2.125 0.680 0.865 0.917 0.833 CB 1.421 13 residues pruned to eliminate duplicates Z: 13 18.057 2.063 0.246 0.763 1.000 0.750 CB 1.604 13 residues pruned to eliminate duplicates Z: 7 7.872 1.797 0.377 0.648 0.833 0.667 CA 1.359 7 residues pruned to eliminate duplicates Z: 12 15.554 1.798 0.756 0.500 1.000 0.727 N 1.485 12 residues pruned to eliminate duplicates Z: 17 16.587 1.837 0.279 0.893 0.938 0.688 CA 1.352 17 residues pruned to eliminate duplicates Z: 14 26.618 2.252 0.669 0.841 1.000 0.923 CA 1.465 14 residues pruned to eliminate duplicates Z: 19 18.253 2.005 0.157 0.867 1.000 0.611 CB 1.356 19 residues pruned to eliminate duplicates Z: 18 25.543 1.978 0.873 0.920 1.000 0.588 CB 1.178 18 residues pruned to eliminate duplicates Z: 12 25.385 2.034 0.926 0.868 1.000 0.818 CA 1.427 12 residues pruned to eliminate duplicates Z: 7 4.505 1.750 0.068 0.725 0.833 0.667 CA 0.965 7 residues pruned to eliminate duplicates Z: 13 19.590 2.269 0.720 0.760 0.750 0.250 CA 1.534 13 residues pruned to eliminate duplicates Z: 15 16.367 1.854 0.481 0.902 1.000 0.786 CA 1.136 15 residues pruned to eliminate duplicates Z: 18 21.910 1.911 0.520 0.919 0.941 0.765 CA 1.370 18 residues pruned to eliminate duplicates Z: 7 10.758 1.650 1.465 0.806 0.833 0.500 CB 0.992 7 residues pruned to eliminate duplicates Z: 8 9.972 1.955 0.136 0.916 1.000 1.000 CB 1.199 8 residues pruned to eliminate duplicates Z: 70 41.399 2.070 0.617 0.719 0.884 0.594 CB 1.382 70 residues pruned to eliminate duplicates Z: 53 33.326 2.099 0.752 0.513 0.885 0.481 CB 1.403 60 residues pruned to eliminate duplicates Z: 18 11.645 1.941 0.700 0.364 0.765 0.529 CB 1.296 18 residues pruned to eliminate duplicates Z: 20 27.982 2.249 0.509 0.860 0.947 0.947 CA 1.469 20 residues pruned to eliminate duplicates Z: 6 4.023 1.775 -0.001 0.338 0.800 0.400 CA 1.514 Z: 41 27.991 2.007 0.409 0.512 1.000 0.625 CB 1.547 41 residues pruned to eliminate duplicates Z: 10 10.446 1.684 0.434 0.881 1.000 0.778 CB 1.044 11 residues pruned to eliminate duplicates Z: 25 33.798 2.171 0.649 0.798 1.000 0.750 CA 1.485 31 residues pruned to eliminate duplicates Z: 19 47.303 2.291 1.229 0.881 1.000 0.444 CA 1.581 19 residues pruned to eliminate duplicates Z: 13 11.351 1.782 0.666 0.404 0.917 0.583 CA 1.332 13 residues pruned to eliminate duplicates Z: 32 34.150 2.030 0.715 0.735 0.935 0.452 CB 1.525 32 residues pruned to eliminate duplicates Z: 17 23.102 1.993 0.745 0.911 0.938 0.875 CA 1.255 17 residues pruned to eliminate duplicates Z: 12 10.004 1.670 0.350 0.847 1.000 0.636 CB 0.994 12 residues pruned to eliminate duplicates Z: 12 20.020 1.962 0.843 0.846 0.909 0.455 CA 1.364 12 residues pruned to eliminate duplicates Z: 9 3.788 1.359 0.739 0.252 0.750 0.375 CB 1.005 9 residues pruned to eliminate duplicates Z: 7 3.235 1.422 0.812 0.242 0.833 0.333 CB 0.829 7 residues pruned to eliminate duplicates Z: 35 24.479 2.042 0.426 0.488 0.941 0.676 CB 1.550 35 residues pruned to eliminate duplicates Z: 8 3.205 1.668 0.356 0.174 0.714 0.286 CB 1.112 8 residues pruned to eliminate duplicates Z: 17 27.103 1.938 1.096 0.886 0.875 0.312 CA 1.376 17 residues pruned to eliminate duplicates Z: 60 46.025 2.124 0.816 0.629 0.932 0.695 CB 1.476 60 residues pruned to eliminate duplicates Z: 11 9.505 1.735 0.206 0.691 0.900 0.700 CB 1.340 11 residues pruned to eliminate duplicates Z: 84 50.129 2.110 0.637 0.734 0.904 0.590 CB 1.429 84 residues pruned to eliminate duplicates Z: 6 11.571 1.781 0.590 0.859 1.000 0.800 CB 1.345 6 residues pruned to eliminate duplicates Z: 6 4.468 1.605 -0.133 0.597 1.000 0.800 O 1.308 Z: 31 20.112 1.975 0.571 0.496 0.900 0.600 CB 1.319 31 residues pruned to eliminate duplicates Z: 78 49.420 2.166 0.632 0.588 0.935 0.623 CB 1.567 78 residues pruned to eliminate duplicates Z: 13 10.187 1.570 0.515 0.873 1.000 0.833 CA 0.901 12 residues pruned to eliminate duplicates Z: 23 39.487 2.268 0.831 0.772 1.000 0.773 CA 1.594 23 residues pruned to eliminate duplicates Z: 24 19.906 1.934 0.581 0.680 0.913 0.826 CA 1.259 24 residues pruned to eliminate duplicates Z: 6 6.030 1.751 0.346 0.763 0.800 0.400 CB 1.132 6 residues pruned to eliminate duplicates Z: 50 25.331 2.004 0.439 0.651 0.816 0.469 CB 1.336 50 residues pruned to eliminate duplicates Z: 7 3.619 1.584 0.114 0.291 0.833 0.500 O 1.270 Z: 15 12.960 1.842 0.434 0.791 1.000 0.929 CA 1.015 15 residues pruned to eliminate duplicates Z: 16 13.353 2.086 0.438 0.379 0.867 0.400 CB 1.509 16 residues pruned to eliminate duplicates Z: 7 4.078 1.464 0.105 0.470 1.000 0.500 CA 1.062 Z: 23 18.717 1.908 0.571 0.734 0.818 0.636 CB 1.319 23 residues pruned to eliminate duplicates Z: 32 31.769 2.004 0.653 0.767 0.968 0.484 CA 1.405 33 residues pruned to eliminate duplicates Z: 7 3.187 1.514 0.399 0.539 0.833 0.500 CB 0.710 Z: 29 25.476 1.992 0.618 0.679 0.893 0.500 CB 1.419 29 residues pruned to eliminate duplicates Z: 36 22.165 1.962 0.517 0.561 0.943 0.600 CA 1.258 36 residues pruned to eliminate duplicates Z: 13 8.416 1.547 0.480 0.827 0.917 0.750 CB 0.872 13 residues pruned to eliminate duplicates Z: 7 6.670 1.830 0.743 0.849 0.667 0.333 CA 0.949 7 residues pruned to eliminate duplicates Z: 14 8.556 1.636 0.519 0.479 0.846 0.308 CB 1.153 14 residues pruned to eliminate duplicates Z: 23 22.957 1.913 0.720 0.623 0.955 0.455 CA 1.387 23 residues pruned to eliminate duplicates Z: 65 39.269 2.032 0.601 0.751 0.875 0.531 CB 1.378 65 residues pruned to eliminate duplicates Z: 12 19.110 2.053 0.547 0.893 0.909 0.545 CA 1.433 12 residues pruned to eliminate duplicates Z: 13 23.517 1.990 0.807 0.889 1.000 0.583 CA 1.359 13 residues pruned to eliminate duplicates Z: 54 31.945 1.981 0.504 0.674 0.906 0.585 CB 1.385 30 residues pruned to eliminate duplicates Z: 8 14.899 1.798 0.752 0.816 1.000 0.571 CB 1.358 8 residues pruned to eliminate duplicates Z: 6 3.372 1.476 0.073 0.467 0.800 0.600 C 1.231 Z: 72 46.441 2.073 0.630 0.712 0.944 0.648 CB 1.426 72 residues pruned to eliminate duplicates Z: 26 23.908 1.964 0.791 0.734 0.880 0.480 CB 1.251 26 residues pruned to eliminate duplicates Z: 18 17.427 2.010 0.311 0.866 0.941 0.647 CB 1.247 18 residues pruned to eliminate duplicates Z: 86 38.482 2.067 0.409 0.628 0.882 0.671 CB 1.440 86 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 9.904 1.746 0.281 0.814 0.909 0.727 CB 1.118 12 residues pruned to eliminate duplicates Z: 38 22.216 1.923 0.327 0.705 0.919 0.757 CB 1.293 38 residues pruned to eliminate duplicates Z: 10 8.481 1.724 0.094 0.889 1.000 0.667 CA 1.080 10 residues pruned to eliminate duplicates Z: 12 9.145 1.602 0.330 0.729 0.909 0.455 CB 1.158 12 residues pruned to eliminate duplicates Z: 14 8.178 1.539 0.309 0.717 0.923 0.538 CA 1.002 14 residues pruned to eliminate duplicates Z: 15 6.994 1.432 0.255 0.639 0.857 0.571 CA 1.066 14 residues pruned to eliminate duplicates Z: 12 9.236 1.606 0.498 0.799 1.000 0.636 CB 0.891 13 residues pruned to eliminate duplicates Z: 10 7.501 1.646 0.274 0.816 0.889 0.778 CB 1.019 10 residues pruned to eliminate duplicates Z: 13 9.626 1.796 0.315 0.712 0.917 0.667 CB 1.059 11 residues pruned to eliminate duplicates Z: 11 10.153 1.664 0.448 0.815 1.000 0.600 CB 1.014 11 residues pruned to eliminate duplicates Z: 13 10.809 1.697 0.531 0.788 0.917 0.667 CB 1.017 13 residues pruned to eliminate duplicates Z: 12 6.479 1.610 0.477 0.617 0.727 0.545 CB 1.012 12 residues pruned to eliminate duplicates Z: 43 22.791 1.894 0.343 0.692 0.905 0.690 CB 1.281 43 residues pruned to eliminate duplicates Z: 40 22.670 1.917 0.420 0.662 0.872 0.564 CB 1.317 40 residues pruned to eliminate duplicates Z: 60 34.628 1.994 0.540 0.685 0.932 0.576 CB 1.328 60 residues pruned to eliminate duplicates Z: 64 38.951 2.002 0.690 0.677 0.921 0.556 CB 1.338 64 residues pruned to eliminate duplicates Z: 43 24.793 1.878 0.451 0.694 0.929 0.571 CB 1.267 43 residues pruned to eliminate duplicates Z: 41 22.424 1.905 0.350 0.742 0.900 0.675 CB 1.233 41 residues pruned to eliminate duplicates Z: 67 37.438 1.970 0.515 0.713 0.924 0.576 CB 1.377 67 residues pruned to eliminate duplicates Z: 45 35.614 1.989 0.547 0.788 0.955 0.705 CB 1.419 45 residues pruned to eliminate duplicates Z: 31 25.450 1.929 0.670 0.683 0.900 0.700 CB 1.354 31 residues pruned to eliminate duplicates Z: 31 29.372 1.986 0.495 0.767 1.000 0.633 CB 1.425 31 residues pruned to eliminate duplicates Z: 80 52.381 2.086 0.703 0.738 0.924 0.608 CB 1.450 80 residues pruned to eliminate duplicates Z: 59 35.503 1.940 0.654 0.698 0.914 0.517 CB 1.326 59 residues pruned to eliminate duplicates Z: 76 42.117 2.020 0.603 0.688 0.907 0.600 CB 1.395 32 residues pruned to eliminate duplicates Z: 16 32.369 2.080 0.880 0.929 1.000 0.867 CB 1.495 16 residues pruned to eliminate duplicates Z: 43 33.626 1.975 0.510 0.796 0.952 0.643 CB 1.409 43 residues pruned to eliminate duplicates Z: 44 28.983 1.915 0.512 0.748 0.930 0.674 CB 1.316 44 residues pruned to eliminate duplicates Z: 21 22.435 1.913 0.684 0.765 0.900 0.600 CB 1.368 21 residues pruned to eliminate duplicates Z: 55 31.966 1.921 0.535 0.734 0.926 0.648 CB 1.290 55 residues pruned to eliminate duplicates Z: 45 32.410 1.957 0.585 0.781 0.955 0.591 CB 1.288 45 residues pruned to eliminate duplicates Z: 136 60.472 2.074 0.616 0.637 0.956 0.600 CB 1.429 136 residues pruned to eliminate duplicates Z: 62 36.643 1.995 0.640 0.677 0.885 0.574 CB 1.375 62 residues pruned to eliminate duplicates Z: 156 67.773 2.126 0.623 0.664 0.935 0.665 CB 1.449 156 residues pruned to eliminate duplicates Z: 90 47.881 2.002 0.675 0.729 0.888 0.607 CB 1.387 90 residues pruned to eliminate duplicates Z: 33 23.457 1.925 0.532 0.625 0.938 0.688 CB 1.334 33 residues pruned to eliminate duplicates Z: 92 53.103 2.089 0.639 0.702 0.934 0.670 CB 1.448 92 residues pruned to eliminate duplicates Z: 37 30.936 1.941 0.594 0.708 0.972 0.722 CB 1.420 37 residues pruned to eliminate duplicates Z: 82 52.553 2.045 0.822 0.716 0.901 0.506 CB 1.430 82 residues pruned to eliminate duplicates Z: 68 40.362 2.017 0.682 0.715 0.881 0.493 CB 1.358 68 residues pruned to eliminate duplicates Z: 45 33.988 1.915 0.763 0.754 0.932 0.409 CB 1.299 45 residues pruned to eliminate duplicates Z: 44 37.502 1.984 0.644 0.792 0.953 0.628 CB 1.424 44 residues pruned to eliminate duplicates Z: 65 53.529 2.064 0.786 0.771 0.969 0.672 CB 1.473 65 residues pruned to eliminate duplicates Z: 51 39.939 2.097 0.758 0.706 0.860 0.680 CB 1.477 51 residues pruned to eliminate duplicates Z: 63 47.122 2.076 0.801 0.718 0.903 0.581 CB 1.454 63 residues pruned to eliminate duplicates Z: 107 50.938 2.129 0.644 0.583 0.896 0.585 CB 1.457 107 residues pruned to eliminate duplicates Z: 29 22.197 1.938 0.553 0.655 0.929 0.464 CB 1.299 29 residues pruned to eliminate duplicates Z: 53 39.983 2.105 0.716 0.675 0.885 0.558 CB 1.476 53 residues pruned to eliminate duplicates Z: 52 43.830 2.120 0.798 0.705 0.902 0.647 CB 1.481 52 residues pruned to eliminate duplicates Z: 56 43.467 2.112 0.759 0.683 0.909 0.509 CB 1.466 56 residues pruned to eliminate duplicates Z: 18 19.858 1.955 0.745 0.720 0.882 0.529 CB 1.312 18 residues pruned to eliminate duplicates Z: 39 35.385 2.064 0.800 0.680 0.895 0.500 CB 1.463 39 residues pruned to eliminate duplicates Z: 9 6.270 1.734 0.174 0.557 0.875 0.500 CB 1.178 9 residues pruned to eliminate duplicates Z: 46 35.617 1.990 0.764 0.757 0.911 0.578 CB 1.321 46 residues pruned to eliminate duplicates Z: 17 21.605 1.968 0.709 0.649 0.938 0.562 CB 1.491 17 residues pruned to eliminate duplicates Z: 87 48.247 2.047 0.711 0.636 0.919 0.512 CB 1.424 87 residues pruned to eliminate duplicates Z: 58 38.819 1.976 0.656 0.725 0.912 0.509 CB 1.406 58 residues pruned to eliminate duplicates Z: 65 42.996 2.041 0.722 0.668 0.906 0.609 CB 1.444 65 residues pruned to eliminate duplicates Z: 53 41.318 2.109 0.760 0.670 0.885 0.635 CB 1.491 53 residues pruned to eliminate duplicates Z: 99 46.620 2.136 0.656 0.551 0.918 0.633 CB 1.379 99 residues pruned to eliminate duplicates Z: 78 47.779 2.004 0.723 0.717 0.922 0.545 CB 1.405 78 residues pruned to eliminate duplicates Z: 23 26.478 2.118 0.936 0.634 0.818 0.636 CB 1.483 23 residues pruned to eliminate duplicates Z: 40 34.038 2.064 0.764 0.689 0.872 0.564 CB 1.444 40 residues pruned to eliminate duplicates Z: 41 33.887 2.060 0.756 0.649 0.900 0.525 CB 1.432 41 residues pruned to eliminate duplicates Z: 60 42.492 2.083 0.714 0.656 0.898 0.593 CB 1.493 60 residues pruned to eliminate duplicates Z: 23 26.066 2.072 0.974 0.619 0.818 0.545 CB 1.484 23 residues pruned to eliminate duplicates Z: 87 46.742 2.138 0.598 0.575 0.953 0.593 CB 1.439 87 residues pruned to eliminate duplicates Z: 92 47.797 2.098 0.725 0.557 0.923 0.659 CB 1.419 92 residues pruned to eliminate duplicates Z: 70 50.612 2.010 0.778 0.715 0.957 0.638 CB 1.468 70 residues pruned to eliminate duplicates Z: 113 52.124 2.133 0.708 0.569 0.902 0.616 CB 1.403 113 residues pruned to eliminate duplicates Z: 22 32.286 2.139 0.880 0.694 0.905 0.714 CA 1.623 22 residues pruned to eliminate duplicates Z: 133 59.483 2.115 0.678 0.621 0.924 0.591 CB 1.407 133 residues pruned to eliminate duplicates Z: 40 36.838 2.117 0.752 0.688 0.897 0.641 CB 1.491 40 residues pruned to eliminate duplicates Z: 93 51.291 2.072 0.689 0.673 0.924 0.522 CB 1.410 93 residues pruned to eliminate duplicates Z: 64 40.273 2.037 0.658 0.680 0.873 0.540 CB 1.458 64 residues pruned to eliminate duplicates Z: 38 28.780 2.046 0.542 0.693 0.865 0.514 CB 1.453 38 residues pruned to eliminate duplicates Z: 33 30.452 2.129 0.624 0.681 0.906 0.719 CB 1.456 33 residues pruned to eliminate duplicates Z: 81 49.090 2.049 0.731 0.706 0.913 0.550 CB 1.406 81 residues pruned to eliminate duplicates Z: 93 43.612 1.987 0.627 0.702 0.880 0.522 CB 1.329 93 residues pruned to eliminate duplicates Z: 40 33.259 2.087 0.660 0.661 0.897 0.641 CB 1.475 40 residues pruned to eliminate duplicates Z: 75 34.581 2.068 0.537 0.526 0.932 0.554 CB 1.322 75 residues pruned to eliminate duplicates Z: 53 39.938 2.074 0.758 0.662 0.904 0.519 CB 1.446 53 residues pruned to eliminate duplicates Z: 25 24.022 2.059 0.772 0.558 0.917 0.667 CA 1.386 25 residues pruned to eliminate duplicates Z: 60 40.543 2.084 0.721 0.648 0.898 0.610 CB 1.426 60 residues pruned to eliminate duplicates Z: 16 22.060 2.046 0.920 0.686 0.933 0.733 CA 1.310 16 residues pruned to eliminate duplicates Z: 27 23.403 2.001 0.778 0.576 0.846 0.615 CA 1.416 27 residues pruned to eliminate duplicates Z: 16 21.181 2.078 0.876 0.624 0.867 0.667 CA 1.440 16 residues pruned to eliminate duplicates Z: 24 20.548 1.958 0.636 0.599 0.957 0.522 CB 1.273 24 residues pruned to eliminate duplicates Z: 25 24.761 2.067 1.025 0.575 0.792 0.417 CA 1.419 25 residues pruned to eliminate duplicates Z: 32 19.963 1.918 0.724 0.514 0.839 0.484 CB 1.275 32 residues pruned to eliminate duplicates Z: 35 37.415 2.154 0.958 0.652 0.882 0.559 CB 1.496 35 residues pruned to eliminate duplicates Z: 72 41.322 2.134 0.603 0.540 0.944 0.606 CB 1.461 72 residues pruned to eliminate duplicates Z: 108 51.779 2.113 0.674 0.586 0.916 0.607 CB 1.423 108 residues pruned to eliminate duplicates Z: 70 37.633 2.120 0.652 0.553 0.884 0.594 CB 1.390 70 residues pruned to eliminate duplicates Z: 42 34.564 2.113 0.596 0.626 0.927 0.537 CA 1.533 42 residues pruned to eliminate duplicates Z: 121 57.426 2.115 0.719 0.595 0.892 0.550 CB 1.476 121 residues pruned to eliminate duplicates Z: 59 41.681 2.154 0.625 0.591 0.948 0.621 CB 1.511 59 residues pruned to eliminate duplicates Z: 77 44.498 2.150 0.603 0.581 0.947 0.684 CB 1.446 77 residues pruned to eliminate duplicates Z: 60 40.315 2.135 0.691 0.562 0.915 0.593 CB 1.496 60 residues pruned to eliminate duplicates Z: 72 41.874 2.164 0.690 0.552 0.930 0.634 CB 1.390 72 residues pruned to eliminate duplicates Z: 58 41.660 2.172 0.652 0.564 0.982 0.579 CB 1.471 58 residues pruned to eliminate duplicates Z: 96 49.230 2.123 0.684 0.581 0.895 0.600 CB 1.461 96 residues pruned to eliminate duplicates Z: 98 47.699 2.126 0.691 0.573 0.887 0.608 CB 1.416 98 residues pruned to eliminate duplicates Z: 58 43.054 2.147 0.814 0.573 0.930 0.649 CB 1.467 58 residues pruned to eliminate duplicates Z: 88 47.645 2.154 0.696 0.557 0.931 0.632 CB 1.421 88 residues pruned to eliminate duplicates Z: 74 39.304 2.155 0.630 0.529 0.904 0.658 CB 1.408 74 residues pruned to eliminate duplicates Z: 45 31.556 2.144 0.572 0.493 0.977 0.591 CB 1.454 45 residues pruned to eliminate duplicates Z: 72 42.725 2.098 0.682 0.601 0.915 0.592 CB 1.426 72 residues pruned to eliminate duplicates Z: 94 50.136 2.140 0.612 0.601 0.925 0.591 CB 1.480 94 residues pruned to eliminate duplicates Z: 127 60.543 2.087 0.756 0.618 0.921 0.492 CB 1.429 127 residues pruned to eliminate duplicates Z: 104 50.255 2.167 0.585 0.587 0.922 0.670 CB 1.438 104 residues pruned to eliminate duplicates Z: 42 28.911 2.212 0.488 0.554 0.951 0.537 CB 1.369 42 residues pruned to eliminate duplicates Z: 58 41.109 2.173 0.707 0.548 0.947 0.579 CB 1.478 58 residues pruned to eliminate duplicates Z: 27 26.258 2.235 0.588 0.553 0.923 0.500 CB 1.493 27 residues pruned to eliminate duplicates Z: 123 59.463 2.089 0.710 0.633 0.926 0.557 CB 1.436 123 residues pruned to eliminate duplicates Z: 73 41.516 2.144 0.622 0.551 0.931 0.542 CB 1.439 73 residues pruned to eliminate duplicates Z: 57 40.746 2.186 0.687 0.557 0.946 0.500 CB 1.475 57 residues pruned to eliminate duplicates Z: 36 27.369 2.178 0.639 0.507 0.914 0.629 CB 1.408 36 residues pruned to eliminate duplicates Z: 37 33.539 2.206 0.807 0.515 0.944 0.583 CB 1.463 37 residues pruned to eliminate duplicates Z: 112 58.669 2.183 0.758 0.595 0.937 0.595 CB 1.414 112 residues pruned to eliminate duplicates Z: 6 7.990 1.818 0.876 0.691 0.800 0.600 CB 1.100 6 residues pruned to eliminate duplicates Z: 110 56.266 2.080 0.804 0.599 0.908 0.514 CB 1.440 110 residues pruned to eliminate duplicates Z: 38 36.631 2.177 0.849 0.512 0.973 0.622 CB 1.519 38 residues pruned to eliminate duplicates Z: 63 39.751 2.115 0.733 0.534 0.919 0.516 CB 1.448 63 residues pruned to eliminate duplicates Z: 64 39.053 2.157 0.700 0.578 0.921 0.556 CB 1.352 64 residues pruned to eliminate duplicates Z: 91 54.107 2.182 0.781 0.587 0.944 0.533 CB 1.429 91 residues pruned to eliminate duplicates Z: 79 48.283 2.144 0.777 0.579 0.897 0.564 CB 1.482 79 residues pruned to eliminate duplicates Z: 97 55.319 2.135 0.730 0.599 0.938 0.573 CB 1.484 97 residues pruned to eliminate duplicates Z: 135 60.618 2.063 0.698 0.642 0.918 0.582 CB 1.426 135 residues pruned to eliminate duplicates Z: 72 37.799 2.133 0.567 0.541 0.930 0.549 CB 1.387 72 residues pruned to eliminate duplicates Z: 155 65.530 2.110 0.666 0.630 0.916 0.539 CB 1.452 155 residues pruned to eliminate duplicates Z: 10 7.640 1.900 0.304 0.355 0.889 0.556 CB 1.353 10 residues pruned to eliminate duplicates Z: 60 37.944 2.154 0.643 0.543 0.932 0.610 CB 1.436 60 residues pruned to eliminate duplicates Z: 52 31.741 2.164 0.619 0.528 0.922 0.588 CB 1.340 52 residues pruned to eliminate duplicates Z: 74 45.678 2.140 0.810 0.547 0.918 0.616 CB 1.435 74 residues pruned to eliminate duplicates Z: 61 43.439 2.234 0.766 0.579 0.900 0.633 CB 1.463 60 residues pruned to eliminate duplicates Z: 11 8.233 1.646 0.477 0.777 1.000 0.800 CB 0.839 11 residues pruned to eliminate duplicates Z: 16 11.271 1.996 0.376 0.481 0.867 0.533 CB 1.246 16 residues pruned to eliminate duplicates Z: 90 49.910 2.159 0.747 0.570 0.899 0.562 CB 1.459 90 residues pruned to eliminate duplicates Z: 114 62.863 2.188 0.803 0.603 0.929 0.664 CB 1.463 113 residues pruned to eliminate duplicates Z: 7 14.752 2.187 0.444 0.877 1.000 0.833 CB 1.386 7 residues pruned to eliminate duplicates Z: 91 44.672 2.156 0.658 0.568 0.878 0.556 CB 1.405 91 residues pruned to eliminate duplicates Z: 14 9.117 2.007 0.379 0.514 0.769 0.615 CB 1.171 14 residues pruned to eliminate duplicates Z: 52 30.675 2.155 0.578 0.514 0.922 0.569 CB 1.351 52 residues pruned to eliminate duplicates Z: 115 58.274 2.162 0.739 0.604 0.930 0.605 CB 1.414 115 residues pruned to eliminate duplicates Z: 73 40.364 2.158 0.647 0.549 0.917 0.542 CB 1.392 73 residues pruned to eliminate duplicates Z: 64 41.916 2.180 0.758 0.579 0.905 0.587 CB 1.411 64 residues pruned to eliminate duplicates Z: 113 58.726 2.188 0.692 0.609 0.938 0.616 CB 1.441 113 residues pruned to eliminate duplicates Z: 131 63.523 2.144 0.757 0.620 0.931 0.608 CB 1.419 131 residues pruned to eliminate duplicates Z: 94 53.481 2.194 0.727 0.596 0.925 0.570 CB 1.445 94 residues pruned to eliminate duplicates Z: 26 34.497 2.159 0.831 0.686 0.920 0.720 CA 1.599 26 residues pruned to eliminate duplicates Z: 24 36.298 2.252 0.712 0.749 1.000 0.739 CA 1.572 24 residues pruned to eliminate duplicates Z: 25 32.057 2.186 0.618 0.740 1.000 0.792 CB 1.491 25 residues pruned to eliminate duplicates Z: 28 31.110 2.106 0.679 0.646 0.963 0.667 CA 1.535 28 residues pruned to eliminate duplicates Z: 22 40.805 2.319 0.859 0.764 1.000 0.619 CB 1.635 22 residues pruned to eliminate duplicates Z: 24 38.389 2.238 0.799 0.786 1.000 0.739 CA 1.546 24 residues pruned to eliminate duplicates Z: 25 37.526 2.214 0.793 0.729 0.958 0.667 CB 1.638 25 residues pruned to eliminate duplicates Z: 21 29.889 2.179 0.599 0.899 0.950 0.700 CA 1.444 21 residues pruned to eliminate duplicates Z: 26 31.687 2.130 0.830 0.718 0.920 0.720 CB 1.450 26 residues pruned to eliminate duplicates Z: 24 38.289 2.232 0.786 0.776 1.000 0.783 CB 1.570 24 residues pruned to eliminate duplicates Z: 25 37.609 2.185 0.878 0.747 1.000 0.667 CB 1.501 25 residues pruned to eliminate duplicates Z: 23 36.715 2.259 0.841 0.768 0.955 0.773 CA 1.555 23 residues pruned to eliminate duplicates Z: 25 38.906 2.159 0.960 0.766 0.958 0.625 CB 1.547 24 residues pruned to eliminate duplicates Z: 20 43.204 2.256 0.956 0.917 1.000 0.737 CB 1.585 20 residues pruned to eliminate duplicates Z: 26 30.212 2.121 0.798 0.685 0.920 0.680 CB 1.453 26 residues pruned to eliminate duplicates Z: 24 36.096 2.220 0.876 0.757 0.913 0.696 CA 1.575 24 residues pruned to eliminate duplicates Z: 26 28.336 2.077 0.777 0.697 0.880 0.640 CA 1.458 26 residues pruned to eliminate duplicates Z: 25 38.934 2.216 0.826 0.723 1.000 0.708 CA 1.606 26 residues pruned to eliminate duplicates Z: 20 40.729 2.239 1.178 0.908 0.895 0.474 CB 1.521 19 residues pruned to eliminate duplicates Z: 20 45.112 2.263 1.082 0.886 1.000 0.684 CB 1.585 20 residues pruned to eliminate duplicates Z: 33 30.243 2.036 0.553 0.750 0.969 0.719 CA 1.396 33 residues pruned to eliminate duplicates Z: 19 24.219 2.003 0.812 0.816 0.944 0.500 CA 1.266 19 residues pruned to eliminate duplicates Z: 19 26.294 2.011 0.967 0.797 0.944 0.611 CA 1.279 19 residues pruned to eliminate duplicates Z: 34 29.358 1.968 0.582 0.760 0.939 0.636 CA 1.386 34 residues pruned to eliminate duplicates Z: 20 23.902 1.956 0.869 0.767 0.947 0.684 CA 1.250 20 residues pruned to eliminate duplicates Z: 20 24.925 1.990 0.921 0.766 0.947 0.579 CA 1.247 20 residues pruned to eliminate duplicates Z: 19 27.119 2.021 0.932 0.808 0.944 0.667 CA 1.325 19 residues pruned to eliminate duplicates Z: 18 27.004 1.961 0.950 0.889 0.941 0.647 CA 1.310 18 residues pruned to eliminate duplicates Z: 34 32.153 2.044 0.567 0.741 0.970 0.545 CA 1.452 34 residues pruned to eliminate duplicates Z: 33 32.809 2.042 0.545 0.753 1.000 0.656 CA 1.468 33 residues pruned to eliminate duplicates Z: 17 26.491 1.988 0.949 0.751 1.000 0.438 CA 1.367 17 residues pruned to eliminate duplicates Z: 34 31.095 2.042 0.636 0.735 0.939 0.424 CA 1.396 34 residues pruned to eliminate duplicates Z: 30 29.942 2.048 0.645 0.728 1.000 0.552 CA 1.344 30 residues pruned to eliminate duplicates Z: 34 35.313 2.064 0.699 0.731 0.970 0.576 CA 1.469 34 residues pruned to eliminate duplicates Z: 33 33.172 2.060 0.665 0.746 0.938 0.531 CA 1.464 33 residues pruned to eliminate duplicates Z: 35 34.387 2.010 0.662 0.713 0.971 0.441 CA 1.499 35 residues pruned to eliminate duplicates Z: 34 32.115 2.008 0.665 0.722 0.970 0.455 CA 1.411 34 residues pruned to eliminate duplicates Z: 34 29.731 2.035 0.642 0.715 0.939 0.333 CA 1.358 33 residues pruned to eliminate duplicates Z: 19 16.161 1.805 0.582 0.716 0.889 0.722 CA 1.234 19 residues pruned to eliminate duplicates Z: 33 35.273 2.079 0.668 0.749 0.969 0.594 CA 1.486 34 residues pruned to eliminate duplicates Z: 20 16.752 1.960 0.139 0.821 0.947 0.789 CB 1.376 20 residues pruned to eliminate duplicates Z: 32 31.330 2.063 0.509 0.782 0.935 0.516 CA 1.507 32 residues pruned to eliminate duplicates Z: 16 13.264 1.975 0.129 0.623 0.933 0.600 CB 1.466 16 residues pruned to eliminate duplicates Z: 15 15.904 2.088 0.260 0.641 0.929 0.500 CB 1.526 15 residues pruned to eliminate duplicates Z: 59 41.952 2.081 0.609 0.701 0.931 0.603 CA 1.472 59 residues pruned to eliminate duplicates Z: 33 34.567 2.084 0.658 0.741 0.969 0.594 CA 1.472 33 residues pruned to eliminate duplicates Z: 16 14.649 1.999 0.458 0.589 0.867 0.400 CB 1.374 16 residues pruned to eliminate duplicates Z: 11 14.781 2.126 0.470 0.736 0.900 0.300 CB 1.345 11 residues pruned to eliminate duplicates Z: 33 36.391 2.079 0.793 0.740 0.906 0.500 CA 1.536 33 residues pruned to eliminate duplicates Z: 33 33.128 2.054 0.742 0.725 0.906 0.438 CB 1.474 33 residues pruned to eliminate duplicates Z: 124 60.804 2.098 0.633 0.685 0.935 0.650 CB 1.444 124 residues pruned to eliminate duplicates Z: 19 19.381 2.037 0.426 0.891 0.889 0.667 CB 1.272 19 residues pruned to eliminate duplicates Z: 61 48.163 2.077 0.701 0.789 0.917 0.600 CB 1.490 61 residues pruned to eliminate duplicates Z: 19 22.877 2.077 0.489 0.867 0.944 0.556 CB 1.350 19 residues pruned to eliminate duplicates Z: 76 44.813 2.050 0.613 0.662 0.947 0.507 CB 1.423 76 residues pruned to eliminate duplicates Z: 19 22.582 2.073 0.446 0.876 0.944 0.611 CB 1.366 19 residues pruned to eliminate duplicates Z: 77 42.933 2.037 0.568 0.725 0.921 0.592 CB 1.366 77 residues pruned to eliminate duplicates Z: 46 40.031 2.075 0.655 0.770 0.956 0.511 CB 1.432 46 residues pruned to eliminate duplicates Z: 37 30.839 2.095 0.540 0.790 0.944 0.611 CB 1.308 37 residues pruned to eliminate duplicates Z: 46 39.247 2.055 0.633 0.777 0.933 0.556 CB 1.463 46 residues pruned to eliminate duplicates Z: 66 49.451 2.094 0.677 0.769 0.938 0.554 CB 1.467 66 residues pruned to eliminate duplicates Z: 49 34.125 2.101 0.525 0.714 0.917 0.479 CB 1.381 49 residues pruned to eliminate duplicates Z: 65 50.494 2.114 0.673 0.780 0.938 0.562 CB 1.488 65 residues pruned to eliminate duplicates Z: 61 46.243 2.100 0.672 0.754 0.933 0.667 CB 1.453 61 residues pruned to eliminate duplicates Z: 62 44.472 2.056 0.690 0.736 0.934 0.557 CB 1.419 62 residues pruned to eliminate duplicates Z: 44 31.357 2.095 0.450 0.731 0.907 0.558 CB 1.411 44 residues pruned to eliminate duplicates Z: 60 44.945 2.080 0.619 0.778 0.966 0.542 CB 1.407 60 residues pruned to eliminate duplicates Z: 61 47.435 2.081 0.668 0.762 0.950 0.533 CB 1.471 61 residues pruned to eliminate duplicates Z: 46 32.416 2.087 0.562 0.722 0.867 0.600 CB 1.399 46 residues pruned to eliminate duplicates Z: 67 45.742 2.075 0.639 0.731 0.939 0.561 CB 1.432 67 residues pruned to eliminate duplicates Z: 63 44.032 2.043 0.672 0.730 0.903 0.452 CB 1.474 63 residues pruned to eliminate duplicates Z: 44 27.473 2.034 0.437 0.657 0.930 0.558 CB 1.332 44 residues pruned to eliminate duplicates Z: 61 42.187 2.085 0.586 0.726 0.933 0.533 CB 1.439 61 residues pruned to eliminate duplicates Z: 59 42.611 2.052 0.696 0.785 0.914 0.603 CB 1.369 59 residues pruned to eliminate duplicates Z: 65 47.386 2.097 0.650 0.753 0.938 0.516 CB 1.457 65 residues pruned to eliminate duplicates Z: 13 25.853 2.160 0.513 0.875 1.000 0.750 CB 1.662 13 residues pruned to eliminate duplicates Z: 127 61.606 2.098 0.618 0.664 0.944 0.595 CB 1.470 127 residues pruned to eliminate duplicates Z: 93 49.904 2.095 0.566 0.662 0.935 0.652 CB 1.460 93 residues pruned to eliminate duplicates Z: 79 53.164 2.106 0.645 0.753 0.936 0.603 CB 1.482 79 residues pruned to eliminate duplicates Z: 109 59.708 2.111 0.605 0.679 0.963 0.685 CB 1.494 109 residues pruned to eliminate duplicates Z: 66 45.770 2.109 0.567 0.749 0.923 0.569 CB 1.491 66 residues pruned to eliminate duplicates Z: 107 47.804 2.088 0.541 0.644 0.915 0.651 CB 1.379 107 residues pruned to eliminate duplicates Z: 12 10.011 1.995 0.388 0.472 0.818 0.636 CB 1.370 12 residues pruned to eliminate duplicates Z: 16 7.600 1.894 0.616 0.386 0.733 0.533 CB 0.987 16 residues pruned to eliminate duplicates Z: 93 42.841 2.089 0.474 0.619 0.924 0.587 CB 1.403 93 residues pruned to eliminate duplicates Z: 26 25.453 2.084 0.770 0.655 0.920 0.720 CB 1.298 26 residues pruned to eliminate duplicates Z: 59 38.083 2.092 0.563 0.562 0.948 0.690 CB 1.519 59 residues pruned to eliminate duplicates Z: 107 50.776 2.113 0.490 0.631 0.953 0.689 CB 1.454 107 residues pruned to eliminate duplicates Z: 47 34.718 2.086 0.689 0.549 0.957 0.652 CB 1.447 47 residues pruned to eliminate duplicates Z: 45 33.505 2.127 0.594 0.572 0.932 0.750 CB 1.492 45 residues pruned to eliminate duplicates Z: 15 21.814 2.089 0.731 0.728 0.929 0.786 CB 1.414 15 residues pruned to eliminate duplicates Z: 78 54.567 2.089 0.764 0.741 0.948 0.610 CB 1.434 78 residues pruned to eliminate duplicates Z: 76 37.375 2.054 0.563 0.534 0.907 0.680 CB 1.434 76 residues pruned to eliminate duplicates Z: 65 41.451 2.103 0.594 0.607 0.969 0.688 CB 1.441 65 residues pruned to eliminate duplicates Z: 60 36.878 2.081 0.536 0.576 0.949 0.627 CB 1.472 60 residues pruned to eliminate duplicates Z: 80 49.718 2.088 0.617 0.728 0.937 0.633 CB 1.440 80 residues pruned to eliminate duplicates Z: 66 37.689 2.052 0.631 0.556 0.938 0.662 CB 1.409 66 residues pruned to eliminate duplicates Z: 104 53.964 2.107 0.609 0.627 0.951 0.709 CB 1.462 104 residues pruned to eliminate duplicates Z: 84 50.454 2.130 0.601 0.678 0.952 0.735 CB 1.449 84 residues pruned to eliminate duplicates Z: 104 54.608 2.118 0.628 0.669 0.942 0.641 CB 1.418 105 residues pruned to eliminate duplicates Z: 9 8.071 1.591 0.572 0.617 0.875 0.625 CB 1.167 9 residues pruned to eliminate duplicates Z: 60 42.011 2.122 0.650 0.590 0.966 0.712 CB 1.483 60 residues pruned to eliminate duplicates Z: 125 61.589 2.090 0.625 0.650 0.952 0.597 CB 1.488 125 residues pruned to eliminate duplicates Z: 91 50.378 2.121 0.609 0.643 0.944 0.656 CB 1.441 91 residues pruned to eliminate duplicates Z: 45 31.320 2.036 0.492 0.535 0.955 0.705 CB 1.573 45 residues pruned to eliminate duplicates Z: 124 59.304 2.070 0.649 0.643 0.943 0.593 CB 1.454 124 residues pruned to eliminate duplicates Z: 125 56.919 2.078 0.571 0.654 0.927 0.573 CB 1.463 125 residues pruned to eliminate duplicates Z: 63 39.940 2.078 0.669 0.545 0.919 0.613 CB 1.522 64 residues pruned to eliminate duplicates Z: 16 14.461 1.894 0.628 0.601 0.867 0.200 CB 1.268 16 residues pruned to eliminate duplicates Z: 45 33.355 2.085 0.670 0.567 0.932 0.705 CB 1.452 45 residues pruned to eliminate duplicates Z: 25 20.048 2.012 0.484 0.450 0.917 0.458 CA 1.574 25 residues pruned to eliminate duplicates Z: 112 48.260 2.087 0.502 0.624 0.928 0.613 CB 1.401 112 residues pruned to eliminate duplicates Z: 44 30.505 2.097 0.414 0.529 0.977 0.558 CB 1.562 44 residues pruned to eliminate duplicates Z: 39 28.504 2.058 0.589 0.503 0.947 0.553 CB 1.488 39 residues pruned to eliminate duplicates Z: 38 31.084 2.051 0.594 0.512 1.000 0.568 CB 1.543 38 residues pruned to eliminate duplicates Z: 21 24.495 2.133 0.662 0.525 0.950 0.500 CB 1.587 21 residues pruned to eliminate duplicates Z: 37 30.522 2.088 0.591 0.508 0.972 0.611 CB 1.563 37 residues pruned to eliminate duplicates Z: 58 37.622 2.058 0.592 0.562 0.930 0.614 CB 1.540 58 residues pruned to eliminate duplicates Z: 62 40.404 2.068 0.680 0.529 0.951 0.557 CB 1.523 62 residues pruned to eliminate duplicates Z: 50 27.865 2.036 0.487 0.462 0.939 0.510 CA 1.456 50 residues pruned to eliminate duplicates Z: 58 28.303 2.004 0.556 0.542 0.895 0.526 CB 1.289 53 residues pruned to eliminate duplicates Z: 16 15.943 2.025 0.373 0.706 0.867 0.400 CB 1.416 16 residues pruned to eliminate duplicates Z: 105 50.615 2.077 0.573 0.590 0.942 0.635 CB 1.480 105 residues pruned to eliminate duplicates Z: 71 41.129 2.064 0.690 0.542 0.943 0.629 CB 1.434 71 residues pruned to eliminate duplicates Z: 45 27.831 2.012 0.690 0.462 0.909 0.500 CB 1.412 45 residues pruned to eliminate duplicates Z: 37 27.300 2.038 0.585 0.515 0.917 0.611 CB 1.514 37 residues pruned to eliminate duplicates Z: 52 30.671 2.036 0.542 0.508 0.941 0.569 CB 1.442 52 residues pruned to eliminate duplicates Z: 123 53.739 2.065 0.607 0.627 0.910 0.623 CB 1.430 123 residues pruned to eliminate duplicates Z: 58 38.245 2.120 0.585 0.555 0.965 0.596 CB 1.481 58 residues pruned to eliminate duplicates Z: 45 28.557 2.054 0.648 0.554 0.864 0.432 CB 1.398 45 residues pruned to eliminate duplicates Z: 52 29.117 2.042 0.505 0.520 0.941 0.647 CB 1.382 52 residues pruned to eliminate duplicates Z: 36 27.904 2.101 0.561 0.514 0.914 0.600 CB 1.552 36 residues pruned to eliminate duplicates Z: 45 30.049 2.009 0.520 0.547 0.977 0.477 CB 1.451 45 residues pruned to eliminate duplicates Z: 59 28.025 2.073 0.400 0.422 0.948 0.500 CB 1.451 59 residues pruned to eliminate duplicates Z: 87 42.909 2.076 0.707 0.539 0.907 0.512 CB 1.386 100 residues pruned to eliminate duplicates Z: 7 6.004 1.594 0.627 0.391 1.000 0.667 CA 1.061 7 residues pruned to eliminate duplicates Z: 50 25.353 2.086 0.383 0.439 0.878 0.490 CB 1.524 50 residues pruned to eliminate duplicates Z: 32 25.057 2.092 0.557 0.571 0.968 0.613 CA 1.333 32 residues pruned to eliminate duplicates Z: 33 27.162 2.096 0.666 0.599 0.969 0.562 CB 1.292 32 residues pruned to eliminate duplicates Z: 7 5.693 1.976 0.219 0.472 1.000 0.500 CA 0.993 7 residues pruned to eliminate duplicates Z: 32 29.730 2.111 0.726 0.621 1.000 0.613 CA 1.307 32 residues pruned to eliminate duplicates Z: 32 28.863 2.133 0.744 0.627 0.935 0.677 CB 1.322 32 residues pruned to eliminate duplicates Z: 16 14.171 2.180 0.407 0.358 0.933 0.333 CB 1.490 16 residues pruned to eliminate duplicates Z: 16 9.468 2.192 0.131 0.350 0.867 0.533 CB 1.338 16 residues pruned to eliminate duplicates Z: 20 10.464 2.001 0.424 0.288 0.895 0.316 CB 1.195 20 residues pruned to eliminate duplicates Z: 33 30.367 2.111 0.642 0.626 1.000 0.844 CB 1.376 33 residues pruned to eliminate duplicates Z: 19 22.752 2.069 0.662 0.798 1.000 0.833 CA 1.201 19 residues pruned to eliminate duplicates Z: 32 31.403 2.146 0.664 0.637 1.000 0.677 CB 1.389 32 residues pruned to eliminate duplicates Z: 32 27.718 2.133 0.625 0.621 0.968 0.613 CB 1.324 33 residues pruned to eliminate duplicates Z: 16 19.432 2.029 0.547 0.906 0.933 0.867 CB 1.218 16 residues pruned to eliminate duplicates Z: 33 24.123 2.080 0.589 0.599 0.938 0.531 CB 1.252 33 residues pruned to eliminate duplicates Z: 33 25.070 2.077 0.583 0.602 0.969 0.656 CB 1.262 32 residues pruned to eliminate duplicates Z: 17 31.384 2.093 1.150 0.903 1.000 0.625 CB 1.243 18 residues pruned to eliminate duplicates Z: 16 23.748 2.122 0.567 0.909 1.000 0.867 CB 1.309 16 residues pruned to eliminate duplicates Z: 33 28.737 2.082 0.747 0.614 0.969 0.719 CB 1.294 33 residues pruned to eliminate duplicates Z: 32 25.342 2.132 0.630 0.595 0.903 0.645 CB 1.325 32 residues pruned to eliminate duplicates Z: 34 25.136 2.063 0.594 0.592 0.939 0.636 CB 1.297 34 residues pruned to eliminate duplicates Z: 33 29.028 2.093 0.769 0.634 0.969 0.562 CB 1.261 32 residues pruned to eliminate duplicates Z: 17 32.201 2.097 1.005 0.918 1.000 0.688 CA 1.351 17 residues pruned to eliminate duplicates Z: 32 28.583 2.140 0.703 0.590 0.935 0.484 CB 1.381 32 residues pruned to eliminate duplicates Z: 32 28.798 2.096 0.748 0.619 0.968 0.581 CB 1.304 32 residues pruned to eliminate duplicates Z: 32 23.030 2.064 0.751 0.571 0.871 0.484 CB 1.227 33 residues pruned to eliminate duplicates Z: 17 32.139 2.090 1.178 0.925 1.000 0.500 CA 1.239 17 residues pruned to eliminate duplicates Z: 8 6.341 1.872 0.566 0.281 1.000 0.286 CA 1.047 Z: 22 22.725 2.023 0.585 0.691 0.952 0.667 CA 1.363 24 residues pruned to eliminate duplicates Z: 6 7.783 1.949 0.707 0.509 1.000 0.000 CA 1.037 6 residues pruned to eliminate duplicates Z: 23 21.647 1.881 0.561 0.763 1.000 0.591 CA 1.244 23 residues pruned to eliminate duplicates Z: 23 26.549 1.915 0.764 0.695 0.955 0.591 CB 1.468 23 residues pruned to eliminate duplicates Z: 30 21.868 1.917 0.600 0.572 0.897 0.586 CB 1.378 22 residues pruned to eliminate duplicates Z: 18 18.176 1.808 0.450 0.861 0.941 0.588 CA 1.313 18 residues pruned to eliminate duplicates Z: 22 24.915 1.933 0.576 0.752 1.000 0.571 CA 1.425 22 residues pruned to eliminate duplicates Z: 23 23.190 1.935 0.578 0.708 0.955 0.545 CA 1.404 23 residues pruned to eliminate duplicates Z: 23 23.491 2.014 0.531 0.653 1.000 0.500 CA 1.408 23 residues pruned to eliminate duplicates Z: 23 25.107 1.962 0.608 0.726 0.955 0.591 CA 1.449 23 residues pruned to eliminate duplicates Z: 24 26.320 1.897 0.781 0.737 0.913 0.435 CA 1.438 23 residues pruned to eliminate duplicates Z: 12 20.392 2.015 0.567 0.909 0.909 0.455 CB 1.520 12 residues pruned to eliminate duplicates Z: 25 22.335 1.847 0.853 0.706 0.833 0.292 CA 1.325 25 residues pruned to eliminate duplicates Z: 17 26.938 1.915 0.840 0.909 1.000 0.375 CB 1.356 18 residues pruned to eliminate duplicates Z: 14 25.505 2.059 0.679 0.936 1.000 0.538 CB 1.425 14 residues pruned to eliminate duplicates Z: 23 24.189 2.004 0.766 0.662 0.909 0.318 CB 1.380 24 residues pruned to eliminate duplicates Z: 18 24.906 1.799 0.829 0.916 0.941 0.353 CB 1.378 18 residues pruned to eliminate duplicates Z: 22 24.542 1.979 0.747 0.704 0.905 0.333 CB 1.422 22 residues pruned to eliminate duplicates Z: 17 21.689 1.852 0.730 0.864 0.875 0.125 CB 1.418 17 residues pruned to eliminate duplicates Z: 23 27.489 1.953 0.877 0.684 0.955 0.227 CB 1.414 23 residues pruned to eliminate duplicates Z: 17 17.490 2.028 0.849 0.367 0.938 0.500 CB 1.435 17 residues pruned to eliminate duplicates Z: 34 24.706 2.069 0.546 0.613 0.879 0.576 CB 1.375 34 residues pruned to eliminate duplicates Z: 18 13.971 1.948 0.792 0.431 0.824 0.471 CB 1.266 18 residues pruned to eliminate duplicates Z: 26 14.509 1.895 0.508 0.505 0.760 0.480 CB 1.329 26 residues pruned to eliminate duplicates Z: 31 25.809 1.937 0.658 0.734 0.900 0.633 CB 1.321 31 residues pruned to eliminate duplicates Z: 17 14.497 2.013 0.827 0.377 0.875 0.500 CB 1.284 17 residues pruned to eliminate duplicates Z: 6 2.225 1.520 -0.025 0.356 1.000 0.400 CA 0.784 6 residues pruned to eliminate duplicates Z: 19 15.980 1.998 0.727 0.421 0.889 0.389 CB 1.333 18 residues pruned to eliminate duplicates Z: 6 4.202 2.010 0.221 0.379 0.800 0.400 CA 1.089 6 residues pruned to eliminate duplicates Z: 8 7.539 2.006 0.584 0.385 0.714 0.429 CA 1.418 8 residues pruned to eliminate duplicates Z: 28 24.152 1.991 0.575 0.645 0.926 0.519 CA 1.399 28 residues pruned to eliminate duplicates Z: 33 32.190 2.150 0.604 0.643 0.969 0.625 CB 1.491 35 residues pruned to eliminate duplicates Z: 20 23.515 1.935 0.509 0.879 1.000 0.579 CA 1.340 20 residues pruned to eliminate duplicates Z: 24 30.141 2.013 0.635 0.753 1.000 0.739 CA 1.525 23 residues pruned to eliminate duplicates Z: 16 19.356 1.916 0.544 0.902 0.933 0.667 CA 1.291 16 residues pruned to eliminate duplicates Z: 26 31.307 2.027 0.761 0.700 1.000 0.560 CB 1.462 27 residues pruned to eliminate duplicates Z: 20 22.431 1.902 0.619 0.866 0.895 0.632 CB 1.367 20 residues pruned to eliminate duplicates Z: 21 28.687 1.987 0.732 0.872 0.950 0.400 CB 1.429 21 residues pruned to eliminate duplicates Z: 20 26.165 2.056 0.650 0.852 0.947 0.368 CB 1.381 20 residues pruned to eliminate duplicates Z: 27 30.999 2.017 0.777 0.691 0.962 0.423 CB 1.481 27 residues pruned to eliminate duplicates Z: 25 18.173 1.939 0.464 0.722 0.833 0.250 CB 1.284 25 residues pruned to eliminate duplicates Z: 24 23.798 2.021 0.689 0.719 0.870 0.391 CB 1.372 24 residues pruned to eliminate duplicates Z: 14 18.694 1.874 0.716 0.840 0.923 0.462 CA 1.304 14 residues pruned to eliminate duplicates Z: 29 23.120 2.017 0.775 0.613 0.786 0.321 CB 1.395 29 residues pruned to eliminate duplicates Z: 20 26.868 2.047 0.696 0.837 0.947 0.368 CB 1.401 20 residues pruned to eliminate duplicates Z: 27 21.888 1.987 0.770 0.687 0.808 0.308 CB 1.274 27 residues pruned to eliminate duplicates Z: 20 20.965 2.012 0.777 0.832 0.789 0.105 CB 1.280 20 residues pruned to eliminate duplicates Z: 15 18.574 1.918 0.886 0.718 0.857 0.429 CB 1.315 15 residues pruned to eliminate duplicates Z: 20 21.494 2.024 0.730 0.842 0.789 0.263 CB 1.329 20 residues pruned to eliminate duplicates Z: 20 27.609 2.046 0.819 0.857 0.895 0.368 CB 1.402 20 residues pruned to eliminate duplicates 382 residues left after pruning, divided into chains as follows: A: 12 B: 157 C: 151 D: 29 E: 33 CC for partial structure against native data = 40.14 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.391, Connect. = 0.708 for dens.mod. cycle 1 = 0.304, Contrast = 0.441, Connect. = 0.728 for dens.mod. cycle 2 = 0.306, Contrast = 0.558, Connect. = 0.772 for dens.mod. cycle 3 = 0.305, Contrast = 0.557, Connect. = 0.770 for dens.mod. cycle 4 = 0.306, Contrast = 0.575, Connect. = 0.773 for dens.mod. cycle 5 = 0.306, Contrast = 0.579, Connect. = 0.774 for dens.mod. cycle 6 = 0.306, Contrast = 0.589, Connect. = 0.776 for dens.mod. cycle 7 = 0.306, Contrast = 0.592, Connect. = 0.777 for dens.mod. cycle 8 = 0.306, Contrast = 0.598, Connect. = 0.778 for dens.mod. cycle 9 = 0.306, Contrast = 0.601, Connect. = 0.778 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.11 - 3.28 - 2.86 - 2.61 - 2.42 - 2.28 - 2.17 - 2.06 - 1.96 - 1.84 0.689 0.721 0.689 0.643 0.638 0.647 0.623 0.645 0.613 0.522 0.852 0.889 0.864 0.814 0.803 0.803 0.787 0.804 0.770 0.659 N 3345 3314 3387 3245 3445 3328 3218 3540 3092 3308 Estimated mean FOM = 0.643 Pseudo-free CC = 65.86 % Best trace (cycle 1 with CC 42.31%) was saved as ./2pke-1.8-parrot-hancs/2pke-1.8-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.3 - Setup, data input and phasing 2.1 - FFTs and peak-searches 10.7 - Sphere of influence 0.3 - Rest of density modification 0.0 - Alpha-helix search 1047.2 - Tripeptide search 8540.1 - Chain tracing 0.0 - NCS analysis 16.7 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 18:33:43 Total time: 9617.81 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 161.07 Used memory is bytes: 19360712