++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:18:18 on 15 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: ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.ins Phases from ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.phi Native data from ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.hkl Listing output to ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.lst Phases output to ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.phs Poly-Ala trace output to ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.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 36467 Reflections read from file ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.phi 36467 Reflections read from file ./2fea-2.0-parrot-noncs/2fea-2.0-parrot-noncs.hkl 36467 Unique data, highest resolution = 2.000 Angstroms Anisotropic scaling: intensities multiplied by 0.000036h^2 +0.002653k^2 -0.000269l^2 +0.000000kl +0.000164hl +0.000000hk 564 Reflections with d > 2.200 and 0 in range 2.200 > d > 2.000 added Density sharpening factor set to 0.75 Fourier grid = 128 x 64 x 82 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.728 = 0.300, Contrast = 0.412, Connect. = 0.711 for dens.mod. cycle 1 = 0.300, Contrast = 0.463, Connect. = 0.695 for dens.mod. cycle 2 = 0.300, Contrast = 0.536, Connect. = 0.727 for dens.mod. cycle 3 = 0.300, Contrast = 0.555, Connect. = 0.735 for dens.mod. cycle 4 = 0.300, Contrast = 0.567, Connect. = 0.741 for dens.mod. cycle 5 = 0.300, Contrast = 0.576, Connect. = 0.744 for dens.mod. cycle 6 = 0.300, Contrast = 0.583, Connect. = 0.748 for dens.mod. cycle 7 = 0.300, Contrast = 0.588, Connect. = 0.750 for dens.mod. cycle 8 = 0.300, Contrast = 0.592, Connect. = 0.752 for dens.mod. cycle 9 = 0.300, Contrast = 0.596, Connect. = 0.754 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2689 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 553 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 12.653 1.512 0.832 0.814 0.900 0.900 CA 1.221 B: 11 12.275 1.910 0.418 0.861 0.900 0.700 CB 1.170 C: 62 34.877 1.928 0.804 0.487 0.951 0.426 CB 1.368 D: 37 34.050 1.944 0.910 0.652 0.972 0.694 CB 1.365 E: 11 19.271 2.063 0.813 0.879 0.900 0.800 CB 1.313 F: 9 16.003 1.971 0.703 0.896 1.000 0.875 CB 1.208 8 residues pruned to eliminate duplicates G: 21 23.891 1.893 0.959 0.635 0.900 0.600 CB 1.410 21 residues pruned to eliminate duplicates H: 14 19.200 1.939 0.869 0.825 0.769 0.615 CA 1.442 I: 10 14.184 2.035 0.585 0.888 0.889 0.667 CA 1.188 J: 13 22.135 1.866 0.881 0.841 1.000 0.667 CA 1.357 14 residues pruned to eliminate duplicates K: 52 27.396 1.949 0.917 0.415 0.882 0.490 CB 1.272 L: 14 18.955 1.939 0.898 0.918 1.000 0.462 CB 1.007 14 residues pruned to eliminate duplicates M: 6 7.492 1.606 1.439 0.780 0.600 0.600 CA 1.114 3 residues pruned to eliminate duplicates N: 21 26.377 1.905 0.875 0.693 1.000 0.400 CB 1.384 21 residues pruned to eliminate duplicates O: 11 22.943 2.020 0.971 0.808 0.900 0.700 CB 1.548 13 residues pruned to eliminate duplicates P: 8 11.546 1.893 0.921 0.494 0.857 0.571 CB 1.410 Q: 12 17.562 1.796 0.617 0.846 1.000 0.909 CB 1.354 R: 14 20.351 2.010 0.418 0.895 1.000 0.692 CB 1.420 11 residues pruned to eliminate duplicates S: 37 25.049 1.941 0.691 0.693 0.889 0.639 CB 1.199 33 residues pruned to eliminate duplicates T: 11 23.387 1.904 1.152 0.909 1.000 0.900 CA 1.282 10 residues pruned to eliminate duplicates U: 13 14.635 1.843 0.549 0.862 0.833 0.667 CB 1.303 10 residues pruned to eliminate duplicates V: 14 16.733 1.932 0.831 0.927 1.000 0.692 CB 0.919 14 residues pruned to eliminate duplicates W: 11 15.963 1.919 0.756 0.877 0.900 0.800 CB 1.209 10 residues pruned to eliminate duplicates X: 13 15.476 1.773 0.587 0.821 1.000 0.667 CA 1.202 Y: 12 18.617 2.017 0.308 0.928 1.000 0.909 CB 1.490 12 residues pruned to eliminate duplicates Z: 6 4.326 1.825 0.809 0.295 0.600 0.600 N 1.227 Z: 11 13.446 1.679 0.756 0.781 0.900 0.700 CA 1.251 11 residues pruned to eliminate duplicates Z: 7 16.701 2.022 1.149 0.860 0.833 0.833 CB 1.384 Z: 11 17.217 1.902 1.044 0.495 1.000 0.800 CB 1.407 10 residues pruned to eliminate duplicates Z: 21 23.418 1.900 0.818 0.650 0.900 0.500 CA 1.465 21 residues pruned to eliminate duplicates Z: 11 9.157 1.609 0.542 0.824 0.900 0.700 CA 0.980 11 residues pruned to eliminate duplicates Z: 12 20.295 1.731 1.132 0.920 1.000 0.909 CA 1.168 12 residues pruned to eliminate duplicates Z: 12 16.659 1.950 0.566 0.886 1.000 1.000 CB 1.186 12 residues pruned to eliminate duplicates Z: 10 3.039 1.570 0.422 0.380 0.778 0.444 CB 0.663 Z: 10 17.596 1.841 0.610 0.904 1.000 0.889 CB 1.409 Z: 12 22.271 1.916 1.096 0.861 1.000 0.636 CB 1.228 15 residues pruned to eliminate duplicates Z: 15 22.502 1.921 0.755 0.851 1.000 0.643 CB 1.320 12 residues pruned to eliminate duplicates Z: 42 27.594 2.015 0.839 0.360 0.927 0.488 CB 1.459 42 residues pruned to eliminate duplicates Z: 14 18.032 2.000 0.723 0.876 1.000 0.923 CB 1.055 7 residues pruned to eliminate duplicates Z: 14 20.388 2.007 0.903 0.905 1.000 0.769 CB 1.053 14 residues pruned to eliminate duplicates Z: 13 18.943 1.789 0.734 0.761 1.000 0.667 CA 1.397 13 residues pruned to eliminate duplicates Z: 13 20.290 1.909 0.851 0.823 0.917 0.583 CB 1.367 14 residues pruned to eliminate duplicates Z: 12 18.883 2.092 0.920 0.858 0.909 0.727 CA 1.149 12 residues pruned to eliminate duplicates Z: 38 28.231 1.922 0.875 0.626 0.865 0.703 CB 1.323 36 residues pruned to eliminate duplicates Z: 13 18.824 1.916 1.317 0.732 0.833 0.417 CB 1.192 13 residues pruned to eliminate duplicates Z: 12 15.729 1.814 0.586 0.836 1.000 0.455 CA 1.234 12 residues pruned to eliminate duplicates Z: 11 20.383 2.024 1.237 0.794 0.800 0.500 CA 1.375 11 residues pruned to eliminate duplicates Z: 12 14.548 1.868 0.687 0.497 0.909 0.727 CB 1.536 12 residues pruned to eliminate duplicates Z: 12 14.122 1.785 0.519 0.752 0.909 0.727 CB 1.379 12 residues pruned to eliminate duplicates Z: 7 7.786 1.712 0.833 0.520 0.833 0.667 N 1.192 Z: 7 10.556 1.876 0.880 0.654 0.833 0.833 CB 1.271 7 residues pruned to eliminate duplicates Z: 7 6.439 1.590 0.918 0.780 0.667 0.500 CA 1.010 7 residues pruned to eliminate duplicates Z: 17 21.468 1.757 0.784 0.863 1.000 0.750 N 1.256 17 residues pruned to eliminate duplicates Z: 10 13.990 2.032 0.751 0.886 0.778 0.556 CB 1.215 10 residues pruned to eliminate duplicates Z: 14 16.361 1.941 0.507 0.852 0.846 0.692 CB 1.356 14 residues pruned to eliminate duplicates Z: 15 13.409 1.600 0.242 0.891 1.000 0.786 CB 1.296 Z: 30 23.795 1.863 0.797 0.639 0.897 0.586 CB 1.293 30 residues pruned to eliminate duplicates Z: 8 13.419 1.849 1.001 0.892 1.000 0.857 CA 0.985 Z: 17 23.517 1.860 0.825 0.846 0.875 0.688 CB 1.470 17 residues pruned to eliminate duplicates Z: 36 21.325 1.900 0.579 0.421 0.943 0.514 CA 1.384 36 residues pruned to eliminate duplicates Z: 9 12.213 1.815 0.503 0.845 1.000 0.750 CB 1.177 Z: 18 19.331 1.725 0.849 0.845 0.882 0.824 CA 1.239 18 residues pruned to eliminate duplicates Z: 8 10.002 1.683 0.854 0.658 0.857 0.571 CB 1.220 Z: 12 16.152 1.876 0.531 0.802 1.000 0.727 CB 1.303 Z: 10 13.394 1.743 0.536 0.898 1.000 0.889 CB 1.192 10 residues pruned to eliminate duplicates Z: 12 13.170 1.812 0.517 0.730 0.909 0.545 CA 1.292 12 residues pruned to eliminate duplicates Z: 12 11.158 1.832 0.311 0.778 0.909 0.727 CA 1.206 12 residues pruned to eliminate duplicates Z: 17 22.797 1.843 0.847 0.863 0.938 0.688 CB 1.311 17 residues pruned to eliminate duplicates Z: 12 10.633 1.698 0.559 0.746 0.909 0.636 CB 1.070 12 residues pruned to eliminate duplicates Z: 14 19.949 2.004 0.923 0.940 1.000 0.769 CB 0.997 14 residues pruned to eliminate duplicates Z: 10 17.113 1.805 0.600 0.914 1.000 0.889 CA 1.396 12 residues pruned to eliminate duplicates Z: 12 22.501 1.958 0.990 0.875 1.000 0.818 CA 1.266 12 residues pruned to eliminate duplicates Z: 36 23.480 1.898 0.807 0.571 0.857 0.629 CB 1.261 35 residues pruned to eliminate duplicates Z: 9 6.015 1.739 0.733 0.343 0.750 0.375 N 1.116 8 residues pruned to eliminate duplicates Z: 12 15.206 1.743 0.646 0.777 1.000 0.636 CA 1.251 12 residues pruned to eliminate duplicates Z: 11 8.909 1.645 0.449 0.665 0.800 0.600 CA 1.268 11 residues pruned to eliminate duplicates Z: 14 14.083 1.566 0.374 0.888 1.000 0.846 CA 1.308 14 residues pruned to eliminate duplicates Z: 10 6.051 1.690 0.530 0.363 0.778 0.333 CB 1.161 16 residues pruned to eliminate duplicates Z: 9 9.910 1.565 0.570 0.710 0.875 0.375 C 1.347 9 residues pruned to eliminate duplicates Z: 11 15.308 1.824 0.671 0.899 1.000 0.800 CA 1.135 11 residues pruned to eliminate duplicates Z: 9 7.065 1.654 0.112 0.841 0.875 0.625 CB 1.157 9 residues pruned to eliminate duplicates Z: 12 17.889 1.835 0.868 0.867 0.909 0.727 CA 1.267 12 residues pruned to eliminate duplicates Z: 11 19.094 1.828 0.661 0.894 1.000 0.800 CB 1.427 13 residues pruned to eliminate duplicates Z: 6 7.577 1.744 1.150 0.424 0.800 0.600 CB 1.223 6 residues pruned to eliminate duplicates Z: 13 13.243 1.778 0.420 0.911 1.000 0.750 CB 1.073 13 residues pruned to eliminate duplicates Z: 6 11.389 1.610 1.344 0.783 1.000 0.800 CA 1.052 6 residues pruned to eliminate duplicates Z: 12 6.587 1.669 0.675 0.310 0.727 0.364 CB 1.207 12 residues pruned to eliminate duplicates Z: 18 18.562 1.764 0.733 0.807 0.882 0.706 N 1.277 18 residues pruned to eliminate duplicates Z: 15 17.744 1.872 0.498 0.851 0.929 0.571 CB 1.348 15 residues pruned to eliminate duplicates Z: 6 7.218 1.690 0.244 0.792 1.000 0.800 CB 1.189 6 residues pruned to eliminate duplicates Z: 12 12.888 1.628 0.413 0.933 1.000 1.000 CB 1.179 11 residues pruned to eliminate duplicates Z: 14 12.891 1.814 0.555 0.648 0.769 0.308 CB 1.435 14 residues pruned to eliminate duplicates Z: 11 18.186 1.920 0.656 0.898 1.000 0.800 CB 1.294 11 residues pruned to eliminate duplicates Z: 9 13.367 1.672 0.847 0.849 1.000 0.875 CB 1.135 Z: 10 11.852 1.668 0.407 0.906 1.000 0.889 CA 1.197 Z: 8 8.440 1.708 1.136 0.462 0.857 0.571 CB 1.060 7 residues pruned to eliminate duplicates Z: 20 20.652 1.860 0.801 0.707 0.842 0.632 CA 1.392 20 residues pruned to eliminate duplicates Z: 13 12.917 1.765 0.961 0.879 1.000 0.667 CB 0.782 13 residues pruned to eliminate duplicates Z: 57 28.227 1.917 0.859 0.482 0.821 0.554 CB 1.313 57 residues pruned to eliminate duplicates Z: 12 17.592 2.044 0.788 0.889 0.909 0.909 CB 1.150 12 residues pruned to eliminate duplicates Z: 12 16.763 1.833 0.622 0.809 1.000 0.636 CA 1.299 12 residues pruned to eliminate duplicates Z: 11 15.337 1.807 1.023 0.853 1.000 0.700 CB 0.980 9 residues pruned to eliminate duplicates Z: 14 14.682 1.910 0.161 0.887 0.923 0.923 CB 1.434 14 residues pruned to eliminate duplicates Z: 18 19.200 1.768 0.785 0.850 0.882 0.706 N 1.239 18 residues pruned to eliminate duplicates Z: 26 17.872 1.942 0.532 0.393 0.920 0.560 CB 1.462 26 residues pruned to eliminate duplicates Z: 11 13.686 1.628 0.729 0.891 1.000 0.700 CA 1.105 9 residues pruned to eliminate duplicates Z: 12 16.106 1.859 0.773 0.834 1.000 0.727 CB 1.104 12 residues pruned to eliminate duplicates Z: 11 18.778 1.892 0.860 0.926 1.000 0.700 CA 1.183 8 residues pruned to eliminate duplicates Z: 13 12.565 1.613 0.474 0.878 0.917 0.750 CA 1.207 13 residues pruned to eliminate duplicates Z: 13 15.850 1.848 0.819 0.796 0.833 0.667 CA 1.260 13 residues pruned to eliminate duplicates Z: 43 21.850 1.931 0.759 0.375 0.833 0.429 CB 1.362 43 residues pruned to eliminate duplicates Z: 12 14.042 1.854 0.413 0.677 1.000 0.818 CA 1.373 12 residues pruned to eliminate duplicates Z: 11 4.456 1.641 0.552 0.324 0.800 0.600 CB 0.839 11 residues pruned to eliminate duplicates Z: 10 13.283 1.889 0.831 0.908 0.889 0.778 CA 1.023 10 residues pruned to eliminate duplicates Z: 23 14.633 1.846 0.809 0.426 0.773 0.500 CB 1.305 23 residues pruned to eliminate duplicates Z: 11 15.383 1.902 0.532 0.789 0.900 0.500 CB 1.440 11 residues pruned to eliminate duplicates Z: 18 22.309 1.786 0.790 0.847 0.941 0.765 N 1.336 18 residues pruned to eliminate duplicates Z: 18 23.104 1.760 0.894 0.845 0.941 0.824 CB 1.328 18 residues pruned to eliminate duplicates 6 1.305 1.295 0.246 0.362 1.000 0.600 CB 0.419 ? Z: 14 18.920 1.722 0.775 0.856 1.000 0.769 CA 1.266 14 residues pruned to eliminate duplicates Z: 13 19.356 1.864 0.659 0.904 0.917 0.833 CA 1.404 13 residues pruned to eliminate duplicates Z: 7 4.595 1.705 0.011 0.585 0.833 0.500 CB 1.204 Z: 10 21.303 1.963 1.075 0.890 1.000 0.556 CA 1.255 10 residues pruned to eliminate duplicates Z: 8 8.522 1.709 0.383 0.772 1.000 0.857 CB 1.071 8 residues pruned to eliminate duplicates Z: 14 18.572 1.964 0.720 0.844 0.846 0.846 CB 1.341 14 residues pruned to eliminate duplicates Z: 17 24.012 1.836 0.899 0.837 0.938 0.750 CA 1.373 17 residues pruned to eliminate duplicates Z: 13 13.152 1.808 0.871 0.482 1.000 0.833 CB 1.143 7 residues pruned to eliminate duplicates Z: 11 14.821 1.972 0.690 0.868 1.000 0.700 CB 1.028 11 residues pruned to eliminate duplicates Z: 10 17.133 1.737 0.680 0.911 1.000 0.667 CA 1.386 11 residues pruned to eliminate duplicates Z: 12 16.095 1.861 0.641 0.834 0.909 0.727 CA 1.311 12 residues pruned to eliminate duplicates Z: 12 15.743 1.678 0.763 0.792 1.000 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 22 14.801 1.912 0.891 0.397 0.905 0.429 CB 1.100 22 residues pruned to eliminate duplicates Z: 11 13.352 1.721 0.444 0.896 1.000 0.600 CA 1.217 11 residues pruned to eliminate duplicates Z: 13 13.895 1.730 0.742 0.655 0.917 0.667 CB 1.258 13 residues pruned to eliminate duplicates Z: 8 10.832 1.640 0.971 0.599 1.000 0.571 CA 1.153 8 residues pruned to eliminate duplicates Z: 59 29.852 1.883 0.662 0.688 0.897 0.603 CB 1.177 59 residues pruned to eliminate duplicates Z: 11 14.448 1.837 0.766 0.838 0.900 0.300 CB 1.170 11 residues pruned to eliminate duplicates Z: 12 22.164 1.993 1.051 0.846 1.000 0.818 CA 1.215 12 residues pruned to eliminate duplicates Z: 15 19.219 1.846 0.714 0.864 1.000 0.643 CB 1.190 15 residues pruned to eliminate duplicates Z: 43 23.040 1.898 0.751 0.423 0.952 0.476 CB 1.217 43 residues pruned to eliminate duplicates Z: 10 9.597 1.734 0.666 0.795 0.889 0.667 CB 0.962 10 residues pruned to eliminate duplicates Z: 8 10.007 1.707 0.384 0.831 0.857 0.857 CA 1.404 8 residues pruned to eliminate duplicates Z: 13 10.540 1.841 0.587 0.862 0.667 0.250 CB 1.147 13 residues pruned to eliminate duplicates Z: 21 16.969 1.824 0.691 0.564 0.950 0.600 CB 1.217 13 residues pruned to eliminate duplicates Z: 36 21.152 1.922 0.587 0.441 0.886 0.514 CA 1.405 36 residues pruned to eliminate duplicates Z: 18 15.544 1.848 0.793 0.609 0.941 0.647 CB 1.090 18 residues pruned to eliminate duplicates Z: 11 11.263 1.620 0.618 0.863 1.000 0.900 CB 0.997 9 residues pruned to eliminate duplicates Z: 13 15.390 1.723 0.737 0.903 1.000 0.833 CB 1.058 13 residues pruned to eliminate duplicates Z: 9 6.249 1.762 0.991 0.463 0.875 0.500 CB 0.747 9 residues pruned to eliminate duplicates Z: 8 14.836 1.967 0.799 0.875 1.000 1.000 CA 1.152 8 residues pruned to eliminate duplicates Z: 12 17.020 2.002 0.950 0.508 0.909 0.727 CB 1.434 12 residues pruned to eliminate duplicates Z: 8 8.441 1.678 0.423 0.764 1.000 0.714 CB 1.057 8 residues pruned to eliminate duplicates Z: 8 11.900 1.885 0.941 0.890 0.857 0.714 CA 1.032 8 residues pruned to eliminate duplicates Z: 7 6.097 1.627 0.776 0.530 1.000 0.500 N 0.836 Z: 10 10.053 1.780 0.105 0.895 0.889 0.778 CA 1.374 10 residues pruned to eliminate duplicates Z: 11 14.728 1.900 0.665 0.848 0.900 0.500 CB 1.213 11 residues pruned to eliminate duplicates Z: 16 20.776 1.837 0.657 0.857 0.933 0.933 N 1.392 16 residues pruned to eliminate duplicates Z: 12 15.731 2.099 0.482 0.856 1.000 0.636 CB 1.124 12 residues pruned to eliminate duplicates Z: 12 21.047 2.082 0.884 0.909 0.909 0.909 CB 1.263 17 residues pruned to eliminate duplicates Z: 14 9.687 1.695 0.469 0.710 0.769 0.615 CB 1.159 14 residues pruned to eliminate duplicates Z: 18 21.720 1.798 0.761 0.855 0.941 0.824 N 1.305 18 residues pruned to eliminate duplicates Z: 10 8.662 1.598 0.727 0.572 0.889 0.444 CB 1.097 Z: 11 13.425 1.571 0.638 0.863 0.900 0.700 N 1.345 11 residues pruned to eliminate duplicates Z: 9 5.458 1.479 0.681 0.382 0.750 0.250 CA 1.173 Z: 13 15.380 1.789 0.468 0.897 1.000 0.917 CA 1.210 13 residues pruned to eliminate duplicates Z: 21 22.796 1.844 0.918 0.651 0.900 0.450 CB 1.391 21 residues pruned to eliminate duplicates Z: 16 23.614 1.805 0.972 0.862 0.867 0.400 CB 1.451 16 residues pruned to eliminate duplicates Z: 21 23.194 1.884 0.794 0.665 0.950 0.550 CB 1.387 21 residues pruned to eliminate duplicates Z: 14 16.665 1.895 0.817 0.893 1.000 0.769 CB 0.963 14 residues pruned to eliminate duplicates Z: 10 16.128 1.707 0.747 0.872 1.000 1.000 CB 1.314 9 residues pruned to eliminate duplicates Z: 24 22.458 1.843 0.935 0.667 0.870 0.565 CB 1.293 24 residues pruned to eliminate duplicates Z: 10 11.105 1.630 0.292 0.864 1.000 0.778 CA 1.289 10 residues pruned to eliminate duplicates Z: 60 32.810 1.901 0.698 0.517 0.932 0.525 CB 1.396 60 residues pruned to eliminate duplicates Z: 12 15.386 1.817 0.637 0.868 0.818 0.545 CA 1.393 13 residues pruned to eliminate duplicates Z: 13 21.030 1.968 0.842 0.838 0.833 0.417 CA 1.503 13 residues pruned to eliminate duplicates Z: 15 17.502 1.801 1.257 0.818 0.714 0.571 CB 1.222 15 residues pruned to eliminate duplicates Z: 10 5.633 1.702 0.615 0.304 0.778 0.778 CB 1.092 10 residues pruned to eliminate duplicates Z: 14 17.801 1.898 0.733 0.909 1.000 0.692 CB 1.065 14 residues pruned to eliminate duplicates Z: 11 13.319 1.765 0.564 0.880 1.000 1.000 CA 1.106 11 residues pruned to eliminate duplicates Z: 7 8.373 1.851 0.353 0.783 0.833 0.333 CA 1.276 7 residues pruned to eliminate duplicates Z: 9 11.483 1.795 0.683 0.805 0.875 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 8 11.246 1.938 0.555 0.546 0.857 0.714 CB 1.575 8 residues pruned to eliminate duplicates Z: 11 6.728 1.759 0.847 0.434 0.600 0.200 CB 1.169 7 residues pruned to eliminate duplicates Z: 13 21.399 1.992 1.072 0.659 1.000 0.583 CB 1.291 13 residues pruned to eliminate duplicates Z: 12 13.317 1.831 0.601 0.748 0.818 0.364 CA 1.342 12 residues pruned to eliminate duplicates Z: 7 6.675 1.749 0.718 0.300 0.833 0.333 CA 1.360 6 residues pruned to eliminate duplicates Z: 11 11.706 1.808 0.680 0.634 0.900 0.600 CA 1.194 11 residues pruned to eliminate duplicates Z: 12 6.084 1.614 0.494 0.395 0.909 0.727 CB 0.935 Z: 14 15.398 1.912 0.831 0.522 0.923 0.538 CB 1.293 14 residues pruned to eliminate duplicates Z: 26 17.075 1.817 0.813 0.431 0.920 0.640 CB 1.210 26 residues pruned to eliminate duplicates Z: 8 8.609 1.785 0.582 0.745 0.857 0.714 CB 1.079 8 residues pruned to eliminate duplicates Z: 13 9.405 1.702 0.397 0.771 0.917 0.583 CB 0.980 13 residues pruned to eliminate duplicates Z: 6 2.940 1.583 0.015 0.718 0.800 0.600 CB 0.840 6 residues pruned to eliminate duplicates Z: 8 7.713 1.588 0.146 0.792 1.000 0.857 CB 1.240 8 residues pruned to eliminate duplicates Z: 15 9.776 1.838 0.598 0.296 0.786 0.571 CB 1.423 15 residues pruned to eliminate duplicates Z: 75 35.114 1.889 0.729 0.606 0.892 0.514 CB 1.267 75 residues pruned to eliminate duplicates Z: 7 2.285 1.091 0.295 0.246 1.000 1.000 CB 0.886 Z: 23 12.515 1.806 0.435 0.475 0.818 0.455 CB 1.291 20 residues pruned to eliminate duplicates Z: 21 15.903 1.839 0.629 0.446 0.850 0.450 CA 1.476 21 residues pruned to eliminate duplicates Z: 12 11.856 1.657 0.394 0.876 1.000 0.545 CA 1.125 12 residues pruned to eliminate duplicates Z: 9 13.220 1.915 0.415 0.839 1.000 0.625 CB 1.288 9 residues pruned to eliminate duplicates Z: 38 29.401 1.866 0.879 0.591 0.973 0.622 CB 1.299 38 residues pruned to eliminate duplicates Z: 12 15.968 1.863 0.694 0.815 1.000 0.545 CA 1.161 12 residues pruned to eliminate duplicates Z: 39 30.295 1.951 0.850 0.634 0.947 0.447 CB 1.267 43 residues pruned to eliminate duplicates Z: 9 10.867 1.974 0.654 0.749 0.750 0.625 CA 1.256 9 residues pruned to eliminate duplicates Z: 6 6.148 1.526 0.295 0.717 1.000 0.600 N 1.144 Z: 9 10.481 1.661 0.778 0.678 1.000 0.625 CB 1.065 Z: 9 21.541 1.867 1.252 0.890 1.000 0.625 CB 1.303 12 residues pruned to eliminate duplicates Z: 10 14.572 1.831 0.641 0.806 0.889 0.667 CA 1.393 10 residues pruned to eliminate duplicates Z: 13 17.140 1.960 0.735 0.866 1.000 0.667 CB 1.065 13 residues pruned to eliminate duplicates Z: 6 3.750 1.135 0.391 0.701 1.000 1.000 N 0.885 6 residues pruned to eliminate duplicates Z: 6 2.237 1.341 0.335 0.466 0.800 0.400 CB 0.723 Z: 12 13.665 1.740 0.694 0.775 0.818 0.455 CB 1.340 12 residues pruned to eliminate duplicates Z: 13 15.066 1.858 0.759 0.908 1.000 0.583 CB 0.945 13 residues pruned to eliminate duplicates Z: 10 4.300 1.512 0.534 0.364 0.889 0.222 CB 0.805 Z: 11 11.461 1.951 0.491 0.676 0.800 0.500 CB 1.324 11 residues pruned to eliminate duplicates Z: 16 18.753 1.805 0.779 0.782 0.867 0.600 CB 1.357 16 residues pruned to eliminate duplicates Z: 10 11.218 1.824 0.503 0.910 1.000 0.889 CA 0.968 10 residues pruned to eliminate duplicates Z: 12 16.490 1.830 0.614 0.865 1.000 0.909 CA 1.233 12 residues pruned to eliminate duplicates Z: 7 6.498 1.604 0.979 0.686 0.833 0.500 N 0.846 7 residues pruned to eliminate duplicates Z: 9 3.053 1.485 0.193 0.370 0.750 0.375 CB 0.933 Z: 9 5.802 1.770 0.293 0.343 0.750 0.500 CB 1.418 9 residues pruned to eliminate duplicates Z: 11 14.510 1.779 0.718 0.791 1.000 0.600 CB 1.162 11 residues pruned to eliminate duplicates Z: 9 3.216 1.514 0.539 0.134 0.625 0.375 CB 1.231 8 residues pruned to eliminate duplicates Z: 32 20.377 1.914 0.836 0.370 0.871 0.548 CB 1.374 32 residues pruned to eliminate duplicates Z: 16 17.013 1.924 0.636 0.574 1.000 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 13 10.323 1.747 0.424 0.535 1.000 0.667 CB 1.157 13 residues pruned to eliminate duplicates Z: 13 11.489 1.715 0.300 0.715 0.917 0.583 CB 1.335 13 residues pruned to eliminate duplicates Z: 12 9.832 1.918 0.399 0.922 0.909 0.818 CB 0.855 12 residues pruned to eliminate duplicates Z: 7 8.591 1.855 0.643 0.569 0.833 0.500 CA 1.291 7 residues pruned to eliminate duplicates Z: 8 10.949 1.721 0.399 0.883 1.000 1.000 CA 1.243 8 residues pruned to eliminate duplicates Z: 14 4.651 1.697 0.223 0.376 0.692 0.538 CB 1.025 14 residues pruned to eliminate duplicates Z: 30 17.191 1.900 0.747 0.347 0.828 0.448 CB 1.372 30 residues pruned to eliminate duplicates Z: 43 23.276 1.813 0.695 0.524 0.881 0.548 CB 1.296 45 residues pruned to eliminate duplicates Z: 13 14.784 1.720 0.586 0.759 0.917 0.500 CB 1.356 13 residues pruned to eliminate duplicates Z: 11 13.463 1.816 0.635 0.874 1.000 0.800 CB 1.043 11 residues pruned to eliminate duplicates Z: 12 13.035 1.698 0.607 0.803 0.909 0.727 CA 1.216 12 residues pruned to eliminate duplicates Z: 11 7.986 1.749 0.852 0.646 0.800 0.500 CB 0.850 11 residues pruned to eliminate duplicates Z: 11 8.752 1.400 0.783 0.778 0.800 0.400 CB 1.084 11 residues pruned to eliminate duplicates Z: 16 23.934 1.804 0.751 0.829 1.000 0.600 N 1.471 16 residues pruned to eliminate duplicates Z: 13 13.867 1.843 0.772 0.561 0.833 0.667 CB 1.386 13 residues pruned to eliminate duplicates Z: 6 2.320 1.336 -0.037 0.525 1.000 0.800 C 0.787 Z: 11 10.335 1.635 0.560 0.781 1.000 0.700 CB 1.000 11 residues pruned to eliminate duplicates Z: 6 5.007 1.336 0.450 0.776 1.000 0.800 CA 0.906 Z: 11 11.901 1.924 0.732 0.479 0.800 0.600 CA 1.442 11 residues pruned to eliminate duplicates Z: 7 12.385 1.858 0.399 0.901 1.000 1.000 CB 1.389 7 residues pruned to eliminate duplicates Z: 6 3.013 1.382 0.255 0.337 1.000 0.400 CB 0.927 Z: 10 8.595 1.747 0.619 0.632 0.889 0.556 CB 1.006 10 residues pruned to eliminate duplicates Z: 10 4.148 1.651 0.236 0.407 1.000 0.778 CB 0.747 10 residues pruned to eliminate duplicates Z: 28 21.188 1.822 0.583 0.603 0.889 0.667 CB 1.442 28 residues pruned to eliminate duplicates Z: 53 38.350 1.964 0.798 0.697 0.942 0.654 CB 1.335 53 residues pruned to eliminate duplicates Z: 6 3.804 1.324 0.244 0.817 0.800 0.600 O 0.980 Z: 14 14.082 1.582 0.551 0.875 1.000 0.923 CB 1.157 12 residues pruned to eliminate duplicates Z: 38 18.916 1.888 0.719 0.320 0.865 0.486 CB 1.350 38 residues pruned to eliminate duplicates Z: 8 7.390 1.866 0.801 0.292 0.714 0.571 N 1.469 Z: 13 14.202 1.699 0.777 0.783 0.917 0.583 CB 1.154 13 residues pruned to eliminate duplicates Z: 8 5.534 1.606 0.634 0.530 0.857 0.571 CB 0.903 8 residues pruned to eliminate duplicates Z: 22 20.270 1.929 0.725 0.553 0.952 0.667 CB 1.326 22 residues pruned to eliminate duplicates Z: 11 21.872 1.916 1.043 0.868 1.000 0.800 CB 1.292 12 residues pruned to eliminate duplicates Z: 35 21.854 1.805 0.666 0.556 0.941 0.471 CB 1.254 34 residues pruned to eliminate duplicates Z: 10 5.629 1.608 0.108 0.584 0.889 0.667 CB 1.093 Z: 17 15.118 1.726 0.630 0.831 0.875 0.500 CB 1.153 17 residues pruned to eliminate duplicates Z: 28 15.739 1.860 0.344 0.440 0.963 0.481 CA 1.338 28 residues pruned to eliminate duplicates Z: 13 14.464 1.829 0.816 0.650 0.833 0.500 CB 1.312 10 residues pruned to eliminate duplicates Z: 7 7.962 1.527 0.620 0.688 1.000 0.333 CB 1.106 Z: 11 13.968 1.608 0.564 0.907 1.000 0.900 CB 1.249 10 residues pruned to eliminate duplicates 7 1.905 1.573 0.649 0.355 0.500 0.500 CB 0.701 ? Z: 13 19.953 1.811 0.603 0.900 1.000 0.917 CB 1.418 13 residues pruned to eliminate duplicates Z: 15 17.004 1.772 0.788 0.796 0.929 0.643 CA 1.193 15 residues pruned to eliminate duplicates Z: 11 12.744 1.887 0.338 0.696 1.000 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 8 2.146 1.387 0.426 0.388 0.857 0.571 CB 0.539 Z: 9 7.784 1.700 0.320 0.880 0.875 0.750 CA 1.016 9 residues pruned to eliminate duplicates Z: 36 24.360 1.939 0.771 0.484 0.943 0.486 CB 1.292 36 residues pruned to eliminate duplicates Z: 8 7.476 1.705 0.575 0.692 0.857 0.714 CA 1.029 8 residues pruned to eliminate duplicates Z: 26 17.854 1.815 0.747 0.437 0.880 0.480 CB 1.366 26 residues pruned to eliminate duplicates Z: 10 17.227 1.998 0.716 0.883 1.000 0.778 CB 1.211 10 residues pruned to eliminate duplicates Z: 7 13.541 1.789 0.898 0.861 1.000 0.833 CB 1.197 7 residues pruned to eliminate duplicates Z: 12 16.166 1.870 0.735 0.760 0.909 0.455 CA 1.312 12 residues pruned to eliminate duplicates Z: 10 9.894 1.900 0.652 0.552 0.778 0.667 CB 1.284 10 residues pruned to eliminate duplicates Z: 12 7.470 1.428 0.897 0.402 0.818 0.636 CB 1.127 Z: 17 20.005 1.813 0.748 0.835 0.938 0.625 N 1.261 17 residues pruned to eliminate duplicates Z: 12 12.168 1.642 0.564 0.855 0.909 0.727 CB 1.159 12 residues pruned to eliminate duplicates Z: 13 15.230 1.870 0.772 0.638 0.833 0.417 CB 1.398 13 residues pruned to eliminate duplicates Z: 10 3.060 1.481 0.259 0.218 0.667 0.333 CB 1.143 Z: 7 11.762 1.788 0.505 0.860 1.000 1.000 CB 1.313 6 1.504 1.497 0.137 0.284 1.000 0.400 CB 0.504 ? Z: 8 2.508 1.501 0.126 0.433 0.714 0.429 CB 0.841 Z: 10 18.321 1.838 1.118 0.893 1.000 0.556 CA 1.127 10 residues pruned to eliminate duplicates Z: 7 8.385 1.790 0.815 0.818 1.000 0.667 CA 0.800 7 residues pruned to eliminate duplicates Z: 11 20.767 1.943 1.123 0.894 1.000 0.800 CA 1.142 11 residues pruned to eliminate duplicates Z: 38 23.866 1.960 0.729 0.456 0.946 0.486 CB 1.280 38 residues pruned to eliminate duplicates Z: 7 4.388 1.554 0.825 0.248 0.833 0.333 CA 1.013 Z: 15 14.396 1.916 0.662 0.432 0.857 0.571 CB 1.511 15 residues pruned to eliminate duplicates Z: 28 17.443 1.822 0.713 0.499 0.889 0.630 CB 1.211 28 residues pruned to eliminate duplicates Z: 9 7.391 1.764 0.340 0.442 0.875 0.500 CB 1.341 9 residues pruned to eliminate duplicates Z: 11 10.036 1.701 0.490 0.826 1.000 0.700 CB 0.944 10 residues pruned to eliminate duplicates Z: 10 7.345 1.770 0.596 0.303 1.000 0.667 CB 1.080 9 residues pruned to eliminate duplicates Z: 7 2.993 1.660 0.100 0.279 0.833 0.500 CB 1.031 7 residues pruned to eliminate duplicates Z: 6 3.962 1.410 0.381 0.630 0.800 0.800 N 1.007 Z: 23 16.637 1.893 0.633 0.504 0.818 0.500 CB 1.397 23 residues pruned to eliminate duplicates Z: 6 2.363 1.635 0.750 0.263 0.600 0.200 N 0.806 Z: 11 15.693 1.740 0.747 0.865 1.000 0.800 CB 1.196 11 residues pruned to eliminate duplicates Z: 14 13.144 1.576 0.695 0.850 0.923 0.615 CB 1.094 14 residues pruned to eliminate duplicates Z: 13 14.987 1.717 0.837 0.665 0.917 0.500 CB 1.285 13 residues pruned to eliminate duplicates Z: 20 14.359 1.825 0.825 0.421 0.842 0.526 CB 1.276 12 residues pruned to eliminate duplicates Z: 8 3.357 1.441 0.182 0.499 0.714 0.714 CA 1.045 Z: 14 12.720 1.614 0.760 0.842 1.000 0.846 CB 0.926 14 residues pruned to eliminate duplicates Z: 47 29.988 1.874 0.834 0.544 0.935 0.587 CB 1.318 52 residues pruned to eliminate duplicates 6 1.121 1.274 0.303 0.100 0.800 0.600 CB 0.629 ? Z: 11 15.570 1.797 0.958 0.877 0.800 0.400 CA 1.270 11 residues pruned to eliminate duplicates 6 0.859 1.292 -0.032 0.209 0.600 0.600 N 0.722 ? Z: 14 10.942 1.757 0.652 0.443 0.923 0.615 CB 1.201 14 residues pruned to eliminate duplicates Z: 21 16.706 1.865 0.765 0.401 0.950 0.600 CB 1.326 21 residues pruned to eliminate duplicates Z: 18 22.223 1.979 0.963 0.714 1.000 0.765 CB 1.142 18 residues pruned to eliminate duplicates Z: 7 3.017 1.231 0.545 0.248 0.833 0.500 N 1.040 Z: 39 18.522 1.764 0.451 0.484 0.921 0.579 CA 1.296 39 residues pruned to eliminate duplicates Z: 23 14.858 1.755 0.755 0.383 0.909 0.455 CA 1.280 23 residues pruned to eliminate duplicates Z: 12 12.257 1.811 0.405 0.728 0.818 0.364 CA 1.445 12 residues pruned to eliminate duplicates Z: 11 7.546 1.769 0.427 0.506 0.900 0.500 CB 1.044 8 residues pruned to eliminate duplicates Z: 19 17.169 1.902 0.520 0.587 0.944 0.722 CB 1.364 19 residues pruned to eliminate duplicates 6 1.965 1.364 0.013 0.299 0.800 0.400 O 0.995 ? Z: 37 24.470 1.925 0.909 0.435 0.944 0.556 CB 1.257 37 residues pruned to eliminate duplicates Z: 14 18.033 1.870 0.701 0.649 1.000 0.615 CA 1.369 14 residues pruned to eliminate duplicates Z: 8 2.402 1.285 0.697 0.276 0.857 0.429 O 0.626 Z: 7 3.102 1.211 0.816 0.464 0.667 0.500 CB 0.896 Z: 10 9.379 1.763 1.096 0.366 0.667 0.556 CA 1.467 10 residues pruned to eliminate duplicates Z: 13 19.763 1.989 0.738 0.910 0.917 0.333 CB 1.277 13 residues pruned to eliminate duplicates Z: 15 26.086 1.922 1.212 0.867 0.857 0.571 CB 1.400 14 residues pruned to eliminate duplicates Z: 9 9.095 1.669 0.150 0.896 1.000 0.875 CA 1.200 9 residues pruned to eliminate duplicates Z: 12 15.403 1.778 0.497 0.866 1.000 0.727 CB 1.277 12 residues pruned to eliminate duplicates Z: 41 20.452 1.847 0.693 0.442 0.875 0.500 CB 1.254 37 residues pruned to eliminate duplicates Z: 30 19.981 1.800 0.757 0.586 0.897 0.552 CB 1.205 30 residues pruned to eliminate duplicates Z: 42 25.621 1.948 0.871 0.415 0.854 0.537 CB 1.405 42 residues pruned to eliminate duplicates Z: 23 17.883 1.882 0.637 0.672 0.955 0.773 CB 1.106 21 residues pruned to eliminate duplicates Z: 12 5.780 1.598 0.551 0.361 0.818 0.364 CB 0.998 12 residues pruned to eliminate duplicates Z: 26 14.771 1.763 0.708 0.525 0.840 0.480 CB 1.139 26 residues pruned to eliminate duplicates Z: 18 12.467 1.617 0.822 0.584 0.882 0.294 CA 1.073 15 residues pruned to eliminate duplicates Z: 28 21.570 1.813 0.715 0.595 0.926 0.593 CB 1.317 28 residues pruned to eliminate duplicates Z: 8 6.039 1.745 0.346 0.648 0.857 0.857 CB 0.987 8 residues pruned to eliminate duplicates Z: 6 2.652 1.342 0.751 0.498 0.600 0.400 CB 0.842 Z: 10 5.831 1.840 0.635 0.284 0.667 0.556 CB 1.237 10 residues pruned to eliminate duplicates Z: 12 14.194 1.758 0.416 0.841 0.909 0.818 CA 1.411 12 residues pruned to eliminate duplicates 365 residues left after pruning, divided into chains as follows: A: 74 B: 14 C: 12 D: 67 E: 45 F: 46 G: 29 H: 65 I: 13 CC for partial structure against native data = 36.34 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.444, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.520, Connect. = 0.718 for dens.mod. cycle 2 = 0.300, Contrast = 0.619, Connect. = 0.752 for dens.mod. cycle 3 = 0.300, Contrast = 0.629, Connect. = 0.755 for dens.mod. cycle 4 = 0.300, Contrast = 0.641, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.645, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.650, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.652, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.655, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.655, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2372 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 533 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 30.029 2.180 0.570 0.907 1.000 0.714 CA 1.667 B: 14 28.912 2.224 0.492 0.923 1.000 0.923 CA 1.698 14 residues pruned to eliminate duplicates C: 13 25.320 2.233 0.516 0.894 0.917 0.833 CB 1.690 13 residues pruned to eliminate duplicates D: 11 29.269 2.174 1.040 0.875 1.000 0.800 CA 1.519 E: 12 23.965 2.202 0.856 0.900 1.000 0.909 CA 1.263 11 residues pruned to eliminate duplicates F: 14 31.293 2.235 0.806 0.890 0.923 0.846 CA 1.676 14 residues pruned to eliminate duplicates G: 12 22.484 2.022 0.928 0.876 0.909 0.727 CA 1.390 12 residues pruned to eliminate duplicates H: 10 21.650 2.179 0.901 0.919 1.000 1.000 CA 1.228 10 residues pruned to eliminate duplicates I: 14 26.025 1.893 0.966 0.830 1.000 0.692 CB 1.458 J: 71 49.282 2.147 0.847 0.640 0.929 0.643 CB 1.403 15 residues pruned to eliminate duplicates K: 16 24.830 2.019 0.701 0.817 0.933 0.800 CB 1.518 16 residues pruned to eliminate duplicates L: 14 24.575 2.180 0.876 0.915 1.000 0.615 CB 1.178 14 residues pruned to eliminate duplicates M: 16 21.294 1.941 0.667 0.897 0.933 0.667 CA 1.304 N: 13 26.280 2.236 0.581 0.880 0.917 0.833 CA 1.697 13 residues pruned to eliminate duplicates O: 13 24.432 2.011 0.922 0.913 1.000 0.750 CA 1.292 13 residues pruned to eliminate duplicates P: 18 19.003 1.890 0.836 0.719 0.882 0.529 CB 1.235 18 residues pruned to eliminate duplicates Q: 15 24.175 2.070 1.182 0.878 0.929 0.714 CB 1.118 15 residues pruned to eliminate duplicates R: 12 22.897 2.185 1.042 0.832 1.000 0.818 CA 1.162 12 residues pruned to eliminate duplicates S: 12 22.848 1.957 1.198 0.796 0.909 0.727 CB 1.360 T: 11 28.499 2.207 0.978 0.860 1.000 0.800 CA 1.518 11 residues pruned to eliminate duplicates U: 14 22.101 2.096 0.892 0.919 1.000 0.846 CB 1.089 V: 10 20.649 2.088 0.629 0.879 1.000 0.778 CA 1.467 10 residues pruned to eliminate duplicates W: 14 25.288 2.247 0.520 0.895 0.846 0.769 CA 1.739 14 residues pruned to eliminate duplicates X: 12 23.034 1.948 0.860 0.787 1.000 0.727 CB 1.489 12 residues pruned to eliminate duplicates Y: 13 20.055 2.015 1.077 0.909 1.000 0.583 CB 0.982 13 residues pruned to eliminate duplicates Z: 22 22.949 2.049 0.797 0.566 0.905 0.571 CB 1.410 Z: 33 24.071 2.099 0.933 0.347 0.812 0.469 CB 1.524 Z: 15 22.877 2.001 0.585 0.935 1.000 0.929 CA 1.343 16 residues pruned to eliminate duplicates Z: 114 60.465 2.112 0.914 0.592 0.920 0.513 CB 1.400 48 residues pruned to eliminate duplicates Z: 111 63.584 2.135 0.904 0.613 0.918 0.591 CB 1.459 111 residues pruned to eliminate duplicates Z: 17 33.937 2.045 1.296 0.859 0.938 0.812 CA 1.418 17 residues pruned to eliminate duplicates Z: 13 20.181 2.083 0.639 0.912 0.917 0.917 CB 1.318 13 residues pruned to eliminate duplicates Z: 17 33.267 2.045 1.178 0.853 0.938 0.812 CA 1.472 17 residues pruned to eliminate duplicates Z: 19 29.392 1.961 0.970 0.867 0.944 0.667 CA 1.389 19 residues pruned to eliminate duplicates Z: 22 23.762 2.070 0.768 0.553 0.905 0.524 CA 1.487 Z: 12 18.883 1.922 0.719 0.829 0.909 0.727 CB 1.427 12 residues pruned to eliminate duplicates Z: 16 29.571 2.073 1.228 0.863 0.867 0.800 CA 1.399 16 residues pruned to eliminate duplicates Z: 18 19.589 1.940 0.658 0.817 0.882 0.765 CB 1.271 18 residues pruned to eliminate duplicates Z: 12 21.856 2.065 0.665 0.814 0.909 0.636 CA 1.605 12 residues pruned to eliminate duplicates Z: 25 19.675 1.990 0.794 0.435 0.875 0.500 CB 1.375 4 residues pruned to eliminate duplicates Z: 11 19.807 2.211 0.478 0.797 1.000 0.700 CA 1.477 13 residues pruned to eliminate duplicates Z: 53 37.759 2.160 0.863 0.433 0.923 0.596 CB 1.512 54 residues pruned to eliminate duplicates Z: 12 20.132 2.138 0.657 0.806 1.000 0.636 CA 1.313 12 residues pruned to eliminate duplicates Z: 13 21.030 1.908 0.696 0.822 1.000 0.750 CA 1.420 14 residues pruned to eliminate duplicates Z: 15 9.677 1.844 0.596 0.323 0.786 0.357 CB 1.360 15 residues pruned to eliminate duplicates Z: 12 10.226 1.657 0.242 0.857 1.000 0.909 CA 1.104 12 residues pruned to eliminate duplicates Z: 26 29.638 2.111 0.874 0.577 0.960 0.560 CA 1.449 26 residues pruned to eliminate duplicates Z: 113 59.044 2.100 0.817 0.583 0.920 0.580 CB 1.467 113 residues pruned to eliminate duplicates Z: 55 35.052 2.039 0.810 0.419 0.926 0.556 CB 1.519 49 residues pruned to eliminate duplicates Z: 17 26.616 1.952 0.694 0.875 1.000 0.875 CB 1.463 17 residues pruned to eliminate duplicates Z: 12 19.191 2.066 0.548 0.857 1.000 0.727 CA 1.333 12 residues pruned to eliminate duplicates Z: 12 15.728 1.906 0.685 0.756 0.818 0.545 CA 1.437 12 residues pruned to eliminate duplicates Z: 10 24.288 2.143 0.881 0.887 1.000 0.667 CA 1.448 Z: 17 36.102 1.970 1.316 0.884 0.938 0.688 CB 1.524 17 residues pruned to eliminate duplicates Z: 24 28.008 2.103 1.108 0.395 0.913 0.478 CB 1.613 24 residues pruned to eliminate duplicates Z: 10 20.416 2.167 0.680 0.890 1.000 0.778 CA 1.345 Z: 46 34.563 2.132 0.791 0.428 0.956 0.556 CB 1.522 46 residues pruned to eliminate duplicates Z: 30 32.591 2.199 0.889 0.485 0.931 0.586 CB 1.588 30 residues pruned to eliminate duplicates Z: 13 28.080 2.257 0.382 0.932 1.000 0.833 CB 1.814 13 residues pruned to eliminate duplicates Z: 10 13.473 2.033 0.518 0.863 0.889 0.889 CA 1.200 10 residues pruned to eliminate duplicates Z: 75 51.216 2.153 0.929 0.641 0.892 0.554 CB 1.410 72 residues pruned to eliminate duplicates Z: 15 22.565 1.999 0.503 0.930 1.000 0.857 CA 1.404 15 residues pruned to eliminate duplicates Z: 65 42.320 2.090 0.810 0.483 0.953 0.625 CB 1.492 59 residues pruned to eliminate duplicates Z: 13 13.915 1.958 0.466 0.774 0.917 0.583 CA 1.198 13 residues pruned to eliminate duplicates Z: 15 17.903 1.871 0.832 0.793 0.857 0.500 CB 1.259 10 residues pruned to eliminate duplicates Z: 15 17.052 2.042 0.829 0.858 1.000 0.643 CB 0.899 15 residues pruned to eliminate duplicates Z: 112 56.525 2.115 0.781 0.586 0.910 0.541 CB 1.441 112 residues pruned to eliminate duplicates Z: 7 15.231 1.956 0.725 0.869 1.000 0.500 CA 1.346 7 residues pruned to eliminate duplicates Z: 12 23.610 1.949 0.912 0.821 1.000 0.818 CA 1.446 12 residues pruned to eliminate duplicates Z: 12 12.547 2.037 0.405 0.779 0.818 0.636 CA 1.264 12 residues pruned to eliminate duplicates Z: 13 24.615 1.933 0.787 0.932 1.000 1.000 CA 1.436 13 residues pruned to eliminate duplicates Z: 10 25.390 2.173 1.071 0.921 1.000 0.889 CA 1.323 10 residues pruned to eliminate duplicates Z: 12 19.070 1.980 0.560 0.874 1.000 0.636 CA 1.355 11 residues pruned to eliminate duplicates Z: 11 11.576 1.992 0.386 0.875 0.900 0.700 CB 1.071 Z: 113 62.314 2.128 0.889 0.600 0.911 0.580 CB 1.461 113 residues pruned to eliminate duplicates Z: 12 10.715 1.876 -0.043 0.895 0.909 0.909 CA 1.419 12 residues pruned to eliminate duplicates Z: 15 18.561 1.994 0.626 0.831 0.857 0.714 CB 1.341 15 residues pruned to eliminate duplicates Z: 13 17.664 1.858 0.667 0.849 1.000 0.583 CA 1.221 13 residues pruned to eliminate duplicates Z: 17 24.508 1.972 0.847 0.831 0.938 0.812 CA 1.347 17 residues pruned to eliminate duplicates Z: 11 15.930 2.127 0.275 0.821 1.000 0.800 CA 1.406 11 residues pruned to eliminate duplicates Z: 13 13.675 1.883 0.482 0.834 1.000 0.917 CA 1.060 13 residues pruned to eliminate duplicates Z: 13 17.508 1.886 0.605 0.849 0.917 0.667 CA 1.350 13 residues pruned to eliminate duplicates Z: 10 21.698 2.089 0.834 0.906 1.000 0.778 CA 1.343 10 residues pruned to eliminate duplicates Z: 9 8.602 1.837 0.570 0.758 0.750 0.625 CB 1.117 9 residues pruned to eliminate duplicates Z: 12 19.262 1.929 0.863 0.839 0.909 0.818 CA 1.328 12 residues pruned to eliminate duplicates Z: 10 14.445 2.054 0.301 0.928 1.000 1.000 CB 1.262 11 residues pruned to eliminate duplicates Z: 17 21.373 1.960 0.849 0.800 0.812 0.500 CB 1.396 17 residues pruned to eliminate duplicates Z: 9 8.732 1.630 0.743 0.774 0.750 0.375 CA 1.137 9 residues pruned to eliminate duplicates Z: 13 13.482 1.905 0.797 0.879 0.833 0.667 CA 0.990 13 residues pruned to eliminate duplicates Z: 10 13.803 2.142 0.270 0.889 0.889 0.889 CA 1.370 10 residues pruned to eliminate duplicates Z: 8 9.448 1.565 0.854 0.718 1.000 0.714 CA 1.011 8 residues pruned to eliminate duplicates Z: 13 14.163 1.971 0.474 0.890 0.750 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 13 21.445 2.217 0.938 0.903 0.917 0.667 CB 1.120 13 residues pruned to eliminate duplicates Z: 13 24.027 2.227 0.416 0.862 1.000 0.833 CA 1.615 13 residues pruned to eliminate duplicates Z: 73 51.980 2.118 0.799 0.701 0.931 0.681 CB 1.440 73 residues pruned to eliminate duplicates Z: 14 28.907 2.226 0.636 0.882 0.923 0.769 CA 1.727 14 residues pruned to eliminate duplicates Z: 54 36.208 2.087 0.741 0.599 0.887 0.717 CB 1.405 51 residues pruned to eliminate duplicates Z: 15 22.193 2.106 0.915 0.900 1.000 0.786 CB 1.051 15 residues pruned to eliminate duplicates Z: 6 7.352 1.849 0.127 0.736 1.000 0.400 CB 1.275 6 residues pruned to eliminate duplicates Z: 12 14.766 1.812 0.467 0.841 1.000 0.909 CA 1.249 12 residues pruned to eliminate duplicates Z: 12 29.848 1.975 1.423 0.863 0.909 0.545 CA 1.517 12 residues pruned to eliminate duplicates Z: 11 17.454 1.911 0.484 0.879 1.000 0.800 CA 1.411 10 residues pruned to eliminate duplicates Z: 15 19.939 2.013 0.454 0.926 0.929 0.929 CB 1.375 15 residues pruned to eliminate duplicates Z: 122 61.988 2.105 0.847 0.568 0.926 0.521 CB 1.466 122 residues pruned to eliminate duplicates Z: 8 2.891 1.606 0.284 0.441 0.857 0.571 CB 0.657 Z: 14 22.263 2.049 0.992 0.936 0.923 0.615 CB 1.141 14 residues pruned to eliminate duplicates Z: 13 17.543 1.872 0.648 0.746 1.000 0.583 CB 1.317 13 residues pruned to eliminate duplicates Z: 54 43.379 2.112 0.911 0.669 0.925 0.679 CB 1.366 54 residues pruned to eliminate duplicates Z: 16 13.109 2.042 0.580 0.330 0.800 0.400 CB 1.580 16 residues pruned to eliminate duplicates Z: 53 37.100 2.042 0.851 0.466 0.942 0.596 CB 1.494 53 residues pruned to eliminate duplicates Z: 13 21.675 2.127 0.805 0.806 1.000 0.667 CA 1.248 13 residues pruned to eliminate duplicates Z: 61 38.471 2.070 0.701 0.495 0.950 0.517 CB 1.492 61 residues pruned to eliminate duplicates Z: 16 20.462 1.843 0.880 0.802 0.867 0.667 CB 1.351 16 residues pruned to eliminate duplicates Z: 49 34.347 2.093 0.846 0.405 0.896 0.417 CB 1.583 49 residues pruned to eliminate duplicates Z: 12 22.067 1.943 0.764 0.899 1.000 0.909 CB 1.388 12 residues pruned to eliminate duplicates Z: 16 15.588 1.682 0.654 0.779 0.933 0.400 CB 1.212 16 residues pruned to eliminate duplicates Z: 14 20.935 2.054 0.553 0.942 0.923 0.923 CB 1.368 14 residues pruned to eliminate duplicates Z: 94 58.859 2.134 0.766 0.652 0.925 0.634 CB 1.521 94 residues pruned to eliminate duplicates Z: 13 20.177 1.963 0.868 0.854 0.917 0.750 CA 1.280 13 residues pruned to eliminate duplicates Z: 11 19.035 2.075 0.406 0.856 1.000 0.800 CA 1.522 11 residues pruned to eliminate duplicates Z: 11 26.944 2.172 1.014 0.899 1.000 0.600 CA 1.392 15 residues pruned to eliminate duplicates Z: 12 12.438 1.542 0.692 0.911 0.909 0.909 CA 1.120 Z: 11 16.316 1.906 0.919 0.861 0.900 0.600 CB 1.152 11 residues pruned to eliminate duplicates Z: 32 27.491 2.151 0.854 0.383 0.903 0.516 CB 1.552 32 residues pruned to eliminate duplicates Z: 12 11.265 2.019 0.066 0.810 0.818 0.636 CB 1.473 12 residues pruned to eliminate duplicates Z: 28 22.298 1.996 0.944 0.535 0.815 0.519 CB 1.311 29 residues pruned to eliminate duplicates Z: 11 15.827 1.615 0.762 0.881 1.000 0.900 CA 1.274 12 residues pruned to eliminate duplicates Z: 11 11.484 1.729 0.438 0.822 0.900 0.600 CA 1.228 Z: 13 13.441 1.923 0.223 0.841 1.000 0.750 CA 1.230 13 residues pruned to eliminate duplicates Z: 12 13.468 1.804 0.510 0.817 0.818 0.455 CA 1.383 12 residues pruned to eliminate duplicates Z: 14 30.623 2.212 0.764 0.871 0.923 0.462 CA 1.720 14 residues pruned to eliminate duplicates Z: 11 21.899 2.169 0.587 0.903 0.900 0.600 CB 1.593 11 residues pruned to eliminate duplicates Z: 9 9.416 1.787 0.333 0.749 0.875 0.500 CB 1.278 9 residues pruned to eliminate duplicates Z: 6 2.511 1.729 0.008 0.475 0.600 0.600 CB 1.101 Z: 95 60.697 2.142 0.814 0.611 0.947 0.660 CB 1.531 96 residues pruned to eliminate duplicates Z: 10 14.187 1.968 0.314 0.801 1.000 0.889 CA 1.406 10 residues pruned to eliminate duplicates Z: 11 19.723 2.093 1.118 0.842 0.900 0.700 CA 1.165 11 residues pruned to eliminate duplicates Z: 16 32.930 2.095 1.102 0.866 0.933 0.800 CA 1.514 16 residues pruned to eliminate duplicates Z: 12 16.490 1.953 0.348 0.865 1.000 0.818 CB 1.383 12 residues pruned to eliminate duplicates Z: 12 10.593 2.000 0.590 0.430 0.818 0.455 CA 1.320 Z: 28 26.172 2.061 0.613 0.526 0.926 0.704 CB 1.595 18 residues pruned to eliminate duplicates Z: 6 5.827 1.710 0.454 0.489 1.000 0.600 N 1.059 Z: 30 27.334 2.083 0.787 0.408 0.931 0.552 CB 1.613 30 residues pruned to eliminate duplicates Z: 38 23.641 2.088 0.660 0.366 0.865 0.514 CB 1.497 38 residues pruned to eliminate duplicates Z: 12 24.666 1.966 1.068 0.848 1.000 0.545 CB 1.357 11 residues pruned to eliminate duplicates Z: 7 9.475 1.994 0.479 0.666 0.833 0.667 CA 1.350 7 residues pruned to eliminate duplicates Z: 11 21.388 2.084 0.654 0.846 1.000 0.500 CA 1.458 11 residues pruned to eliminate duplicates Z: 12 18.003 1.991 0.650 0.849 0.909 0.636 CA 1.348 12 residues pruned to eliminate duplicates Z: 10 3.510 1.793 0.617 0.246 0.778 0.333 CB 0.696 10 residues pruned to eliminate duplicates Z: 11 15.969 1.915 0.887 0.742 0.800 0.500 CA 1.407 11 residues pruned to eliminate duplicates Z: 11 25.431 2.055 1.337 0.859 1.000 0.800 CA 1.233 11 residues pruned to eliminate duplicates Z: 13 20.202 1.759 0.976 0.883 0.917 0.750 CB 1.323 13 residues pruned to eliminate duplicates Z: 14 23.472 2.082 0.774 0.937 0.923 0.615 CB 1.328 14 residues pruned to eliminate duplicates Z: 83 50.712 2.080 0.897 0.564 0.902 0.573 CB 1.478 83 residues pruned to eliminate duplicates Z: 15 23.769 2.004 0.832 0.921 0.929 0.786 CB 1.312 15 residues pruned to eliminate duplicates Z: 44 28.693 2.064 0.726 0.370 0.930 0.442 CB 1.518 44 residues pruned to eliminate duplicates Z: 13 13.922 1.889 0.325 0.759 0.917 0.500 CB 1.392 13 residues pruned to eliminate duplicates Z: 14 23.664 2.103 0.806 0.933 0.923 0.692 CB 1.306 14 residues pruned to eliminate duplicates Z: 11 8.757 1.710 0.928 0.467 0.800 0.400 CB 1.087 11 residues pruned to eliminate duplicates Z: 11 19.552 1.902 0.803 0.855 1.000 1.000 CA 1.332 11 residues pruned to eliminate duplicates Z: 80 52.798 2.073 0.841 0.674 0.911 0.709 CB 1.454 80 residues pruned to eliminate duplicates Z: 12 16.768 1.991 0.438 0.855 0.909 0.727 CA 1.433 12 residues pruned to eliminate duplicates Z: 27 26.866 2.122 0.758 0.441 0.923 0.654 CA 1.625 27 residues pruned to eliminate duplicates Z: 13 25.106 2.167 0.586 0.912 0.917 0.833 CA 1.629 13 residues pruned to eliminate duplicates Z: 12 20.544 1.965 0.791 0.720 1.000 0.636 CB 1.443 12 residues pruned to eliminate duplicates Z: 68 29.590 2.023 0.719 0.412 0.821 0.448 CB 1.388 68 residues pruned to eliminate duplicates Z: 18 30.273 1.971 0.905 0.850 1.000 0.706 CA 1.448 18 residues pruned to eliminate duplicates Z: 8 10.328 1.990 0.652 0.569 0.857 0.571 CB 1.297 Z: 12 19.970 2.038 0.976 0.888 1.000 0.636 CA 1.077 12 residues pruned to eliminate duplicates Z: 9 6.146 1.695 0.200 0.582 0.875 0.500 CB 1.128 9 residues pruned to eliminate duplicates Z: 12 7.762 1.840 0.796 0.302 0.636 0.455 CA 1.388 12 residues pruned to eliminate duplicates Z: 9 12.747 1.928 0.456 0.703 1.000 0.750 CA 1.335 9 residues pruned to eliminate duplicates Z: 14 31.391 2.193 0.780 0.898 0.923 0.615 CB 1.728 14 residues pruned to eliminate duplicates Z: 13 12.674 1.451 0.593 0.879 1.000 0.833 CB 1.148 13 residues pruned to eliminate duplicates Z: 13 16.108 1.833 0.543 0.809 1.000 0.750 CA 1.256 12 residues pruned to eliminate duplicates Z: 18 23.805 1.923 0.788 0.857 1.000 0.824 CB 1.237 25 residues pruned to eliminate duplicates Z: 48 44.009 2.183 0.833 0.713 0.915 0.681 CB 1.445 48 residues pruned to eliminate duplicates Z: 61 41.814 2.085 0.914 0.479 0.917 0.567 CB 1.508 61 residues pruned to eliminate duplicates Z: 15 18.611 1.853 0.719 0.889 0.929 0.786 CB 1.210 15 residues pruned to eliminate duplicates Z: 11 11.481 1.693 0.379 0.861 0.900 0.700 CB 1.270 11 residues pruned to eliminate duplicates Z: 16 28.736 2.039 0.963 0.854 1.000 0.733 CA 1.369 16 residues pruned to eliminate duplicates Z: 24 25.748 2.172 0.863 0.404 0.913 0.696 CB 1.607 24 residues pruned to eliminate duplicates Z: 9 17.426 1.943 0.910 0.912 0.875 0.875 CA 1.344 9 residues pruned to eliminate duplicates Z: 8 11.349 1.887 0.278 0.891 1.000 1.000 CA 1.278 8 residues pruned to eliminate duplicates Z: 12 9.179 1.962 0.362 0.784 0.727 0.455 CA 1.109 12 residues pruned to eliminate duplicates Z: 32 20.728 1.992 0.708 0.323 0.871 0.484 CB 1.527 32 residues pruned to eliminate duplicates Z: 13 20.027 1.936 0.672 0.837 1.000 0.833 CA 1.335 13 residues pruned to eliminate duplicates Z: 12 16.478 2.126 0.463 0.843 0.909 0.909 CB 1.308 12 residues pruned to eliminate duplicates Z: 56 38.823 2.051 0.874 0.486 0.927 0.509 CB 1.490 56 residues pruned to eliminate duplicates Z: 7 11.879 2.073 0.832 0.622 0.833 0.500 CA 1.366 7 residues pruned to eliminate duplicates Z: 10 29.511 2.022 1.479 0.903 1.000 1.000 CB 1.399 10 residues pruned to eliminate duplicates Z: 9 8.244 1.746 0.081 0.880 1.000 1.000 CB 1.118 9 residues pruned to eliminate duplicates Z: 8 14.375 2.191 0.563 0.526 1.000 0.571 CA 1.546 8 residues pruned to eliminate duplicates Z: 11 27.393 2.175 1.011 0.852 0.900 0.800 CA 1.628 11 residues pruned to eliminate duplicates Z: 14 14.298 2.014 0.440 0.877 0.923 0.846 CB 1.076 14 residues pruned to eliminate duplicates Z: 11 10.057 1.798 0.709 0.534 0.800 0.500 CB 1.251 11 residues pruned to eliminate duplicates Z: 17 22.715 2.166 0.648 0.624 0.875 0.750 CB 1.618 17 residues pruned to eliminate duplicates Z: 14 23.280 2.062 0.580 0.931 0.923 0.846 CA 1.501 14 residues pruned to eliminate duplicates Z: 14 30.351 2.240 0.747 0.883 0.923 0.615 CA 1.685 14 residues pruned to eliminate duplicates Z: 34 22.342 2.084 0.791 0.368 0.818 0.545 CB 1.467 34 residues pruned to eliminate duplicates Z: 13 16.809 2.029 0.488 0.839 0.917 0.750 CB 1.310 13 residues pruned to eliminate duplicates Z: 12 13.440 1.820 0.621 0.790 0.909 0.727 CB 1.171 12 residues pruned to eliminate duplicates Z: 54 38.442 2.148 0.794 0.414 0.943 0.509 CB 1.589 54 residues pruned to eliminate duplicates Z: 71 52.687 2.108 0.861 0.665 0.929 0.614 CB 1.484 71 residues pruned to eliminate duplicates Z: 11 9.507 1.930 0.502 0.466 0.900 0.700 CB 1.192 11 residues pruned to eliminate duplicates Z: 17 17.831 1.897 0.605 0.789 0.875 0.688 CB 1.298 17 residues pruned to eliminate duplicates Z: 51 33.053 2.166 0.772 0.388 0.920 0.520 CB 1.490 51 residues pruned to eliminate duplicates Z: 12 14.307 1.956 0.635 0.778 0.909 0.545 CB 1.161 12 residues pruned to eliminate duplicates Z: 63 41.021 2.122 0.798 0.587 0.935 0.581 CB 1.342 63 residues pruned to eliminate duplicates Z: 18 14.968 1.805 0.740 0.387 0.941 0.706 CB 1.385 18 residues pruned to eliminate duplicates Z: 14 25.640 2.175 0.757 0.909 0.923 0.923 CB 1.431 14 residues pruned to eliminate duplicates Z: 11 8.804 1.964 0.207 0.633 0.800 0.500 CA 1.296 11 residues pruned to eliminate duplicates Z: 14 20.116 1.783 0.763 0.872 1.000 0.615 CB 1.294 14 residues pruned to eliminate duplicates Z: 12 13.204 1.895 0.473 0.780 0.909 0.818 CB 1.226 12 residues pruned to eliminate duplicates Z: 10 18.045 1.946 1.002 0.884 1.000 0.333 CB 1.115 10 residues pruned to eliminate duplicates Z: 13 28.845 2.257 0.850 0.923 0.833 0.500 CB 1.681 13 residues pruned to eliminate duplicates Z: 14 17.885 1.973 0.326 0.907 1.000 0.846 CB 1.347 14 residues pruned to eliminate duplicates Z: 13 14.585 1.767 0.592 0.740 0.917 0.500 CA 1.317 13 residues pruned to eliminate duplicates Z: 12 16.705 2.004 0.553 0.808 0.909 0.727 CA 1.361 12 residues pruned to eliminate duplicates Z: 11 22.704 2.209 0.769 0.871 1.000 0.900 CA 1.340 11 residues pruned to eliminate duplicates Z: 13 19.777 2.162 0.692 0.923 0.917 0.833 CB 1.197 13 residues pruned to eliminate duplicates Z: 10 15.617 1.918 0.639 0.871 1.000 0.778 CA 1.208 10 residues pruned to eliminate duplicates Z: 24 19.356 1.831 0.784 0.592 0.870 0.609 CB 1.301 24 residues pruned to eliminate duplicates Z: 10 4.929 1.640 -0.128 0.539 0.889 0.667 O 1.244 Z: 87 46.089 2.057 0.804 0.597 0.895 0.523 CB 1.364 150 residues pruned to eliminate duplicates Z: 6 5.565 1.517 0.542 0.682 1.000 0.800 CA 0.900 Z: 10 18.910 2.067 0.687 0.910 0.889 0.778 CB 1.443 10 residues pruned to eliminate duplicates Z: 49 36.191 2.060 0.841 0.657 0.917 0.583 CB 1.298 49 residues pruned to eliminate duplicates Z: 113 61.124 2.134 0.870 0.594 0.893 0.616 CB 1.481 113 residues pruned to eliminate duplicates Z: 13 19.982 2.006 0.835 0.841 0.917 0.833 CA 1.275 13 residues pruned to eliminate duplicates Z: 9 5.149 1.747 0.672 0.432 0.750 0.500 CB 0.891 9 residues pruned to eliminate duplicates Z: 10 22.916 2.131 0.902 0.918 1.000 0.889 CA 1.328 10 residues pruned to eliminate duplicates Z: 11 14.999 1.966 0.600 0.888 0.900 0.500 CA 1.207 11 residues pruned to eliminate duplicates Z: 9 6.010 1.726 0.074 0.417 1.000 0.750 CB 1.250 6 residues pruned to eliminate duplicates Z: 12 14.244 1.795 0.528 0.848 1.000 1.000 CA 1.162 11 residues pruned to eliminate duplicates Z: 65 45.543 2.127 0.741 0.645 0.891 0.719 CB 1.508 65 residues pruned to eliminate duplicates Z: 27 17.050 2.030 0.416 0.420 0.846 0.500 CB 1.495 23 residues pruned to eliminate duplicates Z: 18 24.892 2.105 0.949 0.423 1.000 0.706 CB 1.594 Z: 128 57.715 2.097 0.803 0.544 0.898 0.567 CB 1.446 128 residues pruned to eliminate duplicates Z: 10 13.590 1.656 0.668 0.845 1.000 0.556 CA 1.219 10 residues pruned to eliminate duplicates Z: 14 17.585 1.976 0.668 0.788 0.923 0.538 CB 1.244 14 residues pruned to eliminate duplicates Z: 9 6.968 1.616 0.817 0.427 0.750 0.375 CA 1.207 Z: 53 35.435 2.168 0.760 0.431 0.885 0.577 CB 1.564 18 residues pruned to eliminate duplicates Z: 17 16.237 1.912 0.575 0.742 0.812 0.625 CB 1.335 17 residues pruned to eliminate duplicates Z: 7 4.149 1.473 0.513 0.377 0.833 0.500 CB 1.041 Z: 11 27.322 2.107 1.112 0.871 1.000 0.700 CA 1.416 10 residues pruned to eliminate duplicates Z: 11 16.634 2.145 0.401 0.825 1.000 0.700 CA 1.322 11 residues pruned to eliminate duplicates Z: 10 11.211 1.913 0.262 0.862 1.000 0.889 CA 1.136 10 residues pruned to eliminate duplicates Z: 8 12.222 2.064 0.614 0.657 0.857 0.429 CA 1.399 8 residues pruned to eliminate duplicates Z: 10 10.642 1.830 0.446 0.853 1.000 0.444 CB 0.991 11 residues pruned to eliminate duplicates Z: 10 13.979 1.980 0.707 0.715 0.778 0.667 CA 1.459 10 residues pruned to eliminate duplicates Z: 7 7.092 1.649 0.613 0.717 0.833 0.500 CB 1.074 7 residues pruned to eliminate duplicates Z: 14 15.816 2.066 0.442 0.658 0.923 0.692 CA 1.377 14 residues pruned to eliminate duplicates Z: 9 9.806 1.839 0.575 0.688 0.875 0.500 CB 1.152 9 residues pruned to eliminate duplicates Z: 12 22.722 2.063 0.667 0.864 1.000 0.636 CA 1.461 12 residues pruned to eliminate duplicates Z: 14 26.162 2.121 0.514 0.834 1.000 0.538 CA 1.694 14 residues pruned to eliminate duplicates Z: 16 31.796 2.070 1.191 0.857 0.867 0.733 CA 1.538 16 residues pruned to eliminate duplicates Z: 10 13.913 1.478 0.884 0.907 1.000 1.000 CB 1.184 10 residues pruned to eliminate duplicates Z: 13 22.361 1.890 0.790 0.885 1.000 0.750 CB 1.377 13 residues pruned to eliminate duplicates Z: 20 11.058 1.734 0.366 0.570 0.789 0.684 CB 1.268 20 residues pruned to eliminate duplicates Z: 10 13.744 2.009 0.163 0.917 1.000 1.000 CB 1.384 10 residues pruned to eliminate duplicates Z: 12 24.158 2.137 0.922 0.783 1.000 0.818 CA 1.382 12 residues pruned to eliminate duplicates Z: 8 5.398 1.538 0.882 0.326 0.857 0.714 CA 0.996 Z: 13 21.927 2.092 0.804 0.933 1.000 1.000 CB 1.170 13 residues pruned to eliminate duplicates Z: 11 11.308 1.699 0.489 0.833 0.800 0.700 CA 1.325 11 residues pruned to eliminate duplicates Z: 12 19.034 1.794 1.022 0.822 1.000 0.727 CA 1.197 12 residues pruned to eliminate duplicates Z: 50 30.617 2.060 0.674 0.416 0.939 0.571 CB 1.475 50 residues pruned to eliminate duplicates Z: 10 22.569 2.038 1.014 0.926 1.000 1.000 CB 1.286 10 residues pruned to eliminate duplicates Z: 53 47.329 2.182 0.795 0.723 0.962 0.712 CB 1.426 49 residues pruned to eliminate duplicates Z: 6 4.002 1.733 0.051 0.504 0.800 0.600 CB 1.224 Z: 11 26.544 2.020 1.557 0.903 0.900 0.500 CB 1.287 11 residues pruned to eliminate duplicates Z: 13 17.749 2.145 0.887 0.905 0.833 0.500 CB 1.081 13 residues pruned to eliminate duplicates Z: 12 4.353 1.639 0.305 0.392 0.636 0.364 CB 1.080 11 residues pruned to eliminate duplicates Z: 40 17.692 1.799 0.495 0.561 0.897 0.692 CB 1.106 22 residues pruned to eliminate duplicates Z: 10 4.727 1.939 0.375 0.499 0.556 0.333 CA 1.065 10 residues pruned to eliminate duplicates Z: 13 14.831 1.903 0.715 0.803 0.833 0.750 CA 1.209 13 residues pruned to eliminate duplicates Z: 14 25.973 2.154 1.167 0.924 1.000 0.846 CB 1.084 14 residues pruned to eliminate duplicates Z: 15 18.238 2.067 0.551 0.631 0.857 0.429 CB 1.568 15 residues pruned to eliminate duplicates Z: 6 6.927 1.836 0.171 0.829 1.000 0.600 CB 1.084 6 residues pruned to eliminate duplicates Z: 8 7.614 1.902 0.695 0.577 0.857 0.571 CB 0.967 Z: 8 5.004 1.778 0.158 0.629 1.000 0.714 CB 0.814 8 residues pruned to eliminate duplicates Z: 13 18.729 1.814 0.674 0.877 1.000 0.750 CB 1.294 13 residues pruned to eliminate duplicates Z: 71 43.865 2.101 0.762 0.641 0.857 0.629 CB 1.448 71 residues pruned to eliminate duplicates Z: 14 7.248 1.344 0.384 0.804 0.923 0.692 CB 0.898 14 residues pruned to eliminate duplicates Z: 115 63.289 2.111 0.958 0.591 0.912 0.561 CB 1.441 115 residues pruned to eliminate duplicates Z: 7 7.430 1.675 0.724 0.684 1.000 0.667 CA 0.888 5 residues pruned to eliminate duplicates Z: 46 31.631 2.017 0.798 0.704 0.933 0.689 CB 1.157 36 residues pruned to eliminate duplicates Z: 11 13.567 1.614 0.903 0.916 0.900 0.500 CB 1.096 11 residues pruned to eliminate duplicates Z: 69 51.189 2.120 0.912 0.554 0.956 0.574 CB 1.520 48 residues pruned to eliminate duplicates Z: 12 19.016 2.058 0.572 0.840 0.909 0.727 CA 1.455 12 residues pruned to eliminate duplicates Z: 62 45.292 2.129 0.741 0.708 0.934 0.721 CB 1.387 62 residues pruned to eliminate duplicates Z: 18 13.205 1.836 0.422 0.527 0.824 0.588 CB 1.451 18 residues pruned to eliminate duplicates Z: 38 21.419 1.889 0.805 0.495 0.838 0.649 CB 1.239 40 residues pruned to eliminate duplicates Z: 12 15.998 1.797 0.816 0.775 0.909 0.545 CA 1.274 12 residues pruned to eliminate duplicates Z: 30 21.042 2.021 0.694 0.455 0.897 0.379 CB 1.332 30 residues pruned to eliminate duplicates Z: 10 22.468 2.083 1.080 0.915 0.889 0.556 CA 1.374 10 residues pruned to eliminate duplicates Z: 24 26.518 2.170 0.892 0.393 0.913 0.435 CB 1.652 24 residues pruned to eliminate duplicates Z: 54 36.639 2.132 0.856 0.371 0.906 0.509 CB 1.613 54 residues pruned to eliminate duplicates Z: 13 12.922 1.857 0.427 0.866 0.917 0.917 CB 1.124 13 residues pruned to eliminate duplicates Z: 19 26.695 2.185 0.735 0.607 0.944 0.667 CB 1.587 20 residues pruned to eliminate duplicates Z: 48 33.776 2.069 0.870 0.439 0.936 0.511 CB 1.448 48 residues pruned to eliminate duplicates Z: 43 35.756 2.089 0.898 0.447 0.952 0.548 CB 1.543 43 residues pruned to eliminate duplicates Z: 14 13.799 1.949 0.718 0.633 0.846 0.615 CB 1.192 14 residues pruned to eliminate duplicates Z: 22 25.901 2.075 0.812 0.537 0.952 0.667 CB 1.522 24 residues pruned to eliminate duplicates Z: 52 31.622 2.091 0.853 0.409 0.824 0.608 CB 1.526 52 residues pruned to eliminate duplicates Z: 7 4.624 1.464 0.509 0.435 0.833 0.833 CA 1.096 Z: 7 8.025 1.569 0.704 0.678 0.833 0.667 CA 1.249 Z: 45 36.415 2.137 0.871 0.452 0.909 0.568 CB 1.586 45 residues pruned to eliminate duplicates Z: 15 14.834 1.871 0.497 0.800 0.857 0.714 CB 1.270 15 residues pruned to eliminate duplicates Z: 7 3.494 1.628 -0.033 0.534 0.833 0.500 CB 1.051 7 residues pruned to eliminate duplicates Z: 12 24.146 1.923 1.135 0.834 0.909 0.545 CB 1.462 12 residues pruned to eliminate duplicates Z: 15 22.648 2.028 1.036 0.887 1.000 0.857 CB 1.057 15 residues pruned to eliminate duplicates Z: 16 23.875 1.940 0.739 0.765 1.000 0.800 CB 1.446 16 residues pruned to eliminate duplicates Z: 16 12.626 2.070 0.625 0.348 0.733 0.533 CB 1.558 16 residues pruned to eliminate duplicates Z: 9 12.816 1.897 0.679 0.801 0.875 0.250 CA 1.249 9 residues pruned to eliminate duplicates Z: 9 5.138 1.617 0.887 0.385 0.625 0.500 CA 1.076 9 residues pruned to eliminate duplicates Z: 11 13.557 1.577 0.575 0.896 1.000 0.800 CB 1.237 11 residues pruned to eliminate duplicates Z: 11 16.550 2.010 0.854 0.846 0.800 0.600 CB 1.304 11 residues pruned to eliminate duplicates Z: 23 24.569 2.011 0.802 0.586 0.909 0.545 CA 1.465 26 residues pruned to eliminate duplicates Z: 11 20.256 2.089 0.689 0.775 1.000 0.500 CA 1.423 11 residues pruned to eliminate duplicates Z: 25 18.452 2.101 0.722 0.311 0.833 0.417 CA 1.539 25 residues pruned to eliminate duplicates Z: 20 29.033 2.131 0.966 0.592 0.947 0.632 CB 1.537 20 residues pruned to eliminate duplicates Z: 12 16.890 1.814 0.523 0.824 1.000 0.727 CB 1.392 12 residues pruned to eliminate duplicates Z: 39 26.279 1.868 0.655 0.571 0.947 0.684 CB 1.359 39 residues pruned to eliminate duplicates Z: 15 10.370 1.782 0.433 0.781 0.929 0.786 CB 0.913 15 residues pruned to eliminate duplicates Z: 12 17.959 2.045 0.536 0.880 1.000 0.818 CA 1.249 12 residues pruned to eliminate duplicates Z: 6 3.964 1.362 0.381 0.691 0.800 0.800 CB 0.989 Z: 7 2.725 1.180 0.397 0.421 0.833 0.500 N 0.879 Z: 13 17.084 2.044 0.826 0.552 0.917 0.667 CB 1.370 13 residues pruned to eliminate duplicates Z: 9 5.962 1.833 0.008 0.548 1.000 0.750 CB 1.089 9 residues pruned to eliminate duplicates Z: 11 14.393 2.014 0.800 0.832 0.700 0.400 CB 1.346 11 residues pruned to eliminate duplicates Z: 14 20.857 2.078 1.036 0.939 1.000 0.385 CB 0.950 14 residues pruned to eliminate duplicates Z: 22 27.625 2.130 0.802 0.619 0.952 0.571 CB 1.473 22 residues pruned to eliminate duplicates Z: 12 26.694 1.927 1.287 0.913 0.909 0.727 CA 1.421 12 residues pruned to eliminate duplicates Z: 12 10.977 1.525 0.572 0.872 0.909 0.818 CB 1.106 12 residues pruned to eliminate duplicates Z: 9 18.170 2.195 0.627 0.875 0.875 0.750 CA 1.495 9 residues pruned to eliminate duplicates Z: 13 29.014 1.950 1.115 0.938 1.000 1.000 CA 1.412 12 residues pruned to eliminate duplicates Z: 6 3.358 1.694 0.649 0.568 0.800 0.800 CB 0.630 6 residues pruned to eliminate duplicates Z: 13 16.323 1.812 0.530 0.869 1.000 0.833 CB 1.241 13 residues pruned to eliminate duplicates Z: 27 28.161 2.104 0.874 0.404 0.923 0.500 CB 1.677 27 residues pruned to eliminate duplicates Z: 15 16.103 2.099 0.857 0.452 0.857 0.643 CB 1.353 15 residues pruned to eliminate duplicates Z: 10 13.457 1.655 0.730 0.913 1.000 0.333 CB 1.108 10 residues pruned to eliminate duplicates Z: 7 6.225 1.609 0.571 0.655 0.833 0.500 CB 1.045 7 residues pruned to eliminate duplicates Z: 10 2.591 1.365 0.688 0.256 0.667 0.333 CB 0.744 Z: 13 22.209 1.822 0.911 0.925 1.000 0.667 CB 1.292 13 residues pruned to eliminate duplicates 6 1.816 1.661 0.829 0.296 0.800 0.600 CB 0.420 ? Z: 11 4.302 1.619 0.504 0.225 0.800 0.400 CA 0.963 Z: 7 2.503 1.433 0.179 0.299 0.833 0.500 CB 0.908 Z: 36 29.666 2.105 0.817 0.468 0.943 0.514 CB 1.436 36 residues pruned to eliminate duplicates Z: 49 33.461 2.106 0.779 0.430 0.917 0.562 CB 1.512 49 residues pruned to eliminate duplicates Z: 9 16.822 1.921 0.837 0.874 1.000 0.625 CA 1.227 9 residues pruned to eliminate duplicates Z: 9 7.471 1.828 0.672 0.415 0.875 0.375 CA 1.079 9 residues pruned to eliminate duplicates Z: 9 27.036 2.262 1.059 0.915 1.000 1.000 CA 1.450 9 residues pruned to eliminate duplicates Z: 74 47.154 2.104 0.854 0.620 0.918 0.630 CB 1.376 74 residues pruned to eliminate duplicates Z: 62 37.267 2.136 0.687 0.641 0.885 0.607 CB 1.311 62 residues pruned to eliminate duplicates Z: 12 17.059 2.035 0.658 0.779 0.909 0.545 CA 1.311 12 residues pruned to eliminate duplicates Z: 8 7.861 1.612 0.683 0.614 0.857 0.571 CB 1.147 Z: 57 39.529 2.096 0.836 0.459 0.964 0.536 CB 1.485 58 residues pruned to eliminate duplicates Z: 24 25.477 2.002 0.776 0.567 1.000 0.696 CA 1.400 25 residues pruned to eliminate duplicates Z: 7 3.266 1.708 0.242 0.602 1.000 0.667 CB 0.571 Z: 8 4.849 1.651 0.554 0.425 0.857 0.571 N 0.901 Z: 22 27.020 2.084 0.807 0.573 0.952 0.667 CB 1.532 22 residues pruned to eliminate duplicates Z: 6 3.575 1.290 0.507 0.791 1.000 1.000 C 0.637 Z: 23 14.652 1.811 0.621 0.513 0.818 0.727 CB 1.284 23 residues pruned to eliminate duplicates Z: 15 16.204 1.876 0.682 0.648 0.929 0.857 CA 1.287 15 residues pruned to eliminate duplicates Z: 13 5.994 1.591 0.131 0.487 0.833 0.750 CB 1.169 16 residues pruned to eliminate duplicates Z: 16 28.425 2.027 0.988 0.898 1.000 0.933 CB 1.303 16 residues pruned to eliminate duplicates Z: 15 28.373 1.994 0.909 0.921 1.000 0.643 CA 1.401 15 residues pruned to eliminate duplicates Z: 6 3.925 1.743 -0.109 0.775 1.000 1.000 CB 0.886 Z: 6 2.068 0.951 0.452 0.487 1.000 0.400 CB 0.679 Z: 51 34.615 2.141 0.881 0.386 0.880 0.480 CB 1.559 51 residues pruned to eliminate duplicates Z: 13 19.410 1.986 0.869 0.814 0.917 0.583 CA 1.254 13 residues pruned to eliminate duplicates Z: 24 16.770 1.990 0.507 0.471 0.870 0.348 CB 1.381 24 residues pruned to eliminate duplicates Z: 6 5.569 1.932 0.366 0.665 1.000 1.000 CB 0.810 6 residues pruned to eliminate duplicates Z: 112 58.554 2.126 0.823 0.602 0.901 0.631 CB 1.445 112 residues pruned to eliminate duplicates Z: 15 15.195 2.058 0.539 0.861 0.857 0.857 CB 1.099 15 residues pruned to eliminate duplicates Z: 13 18.669 1.810 0.516 0.903 1.000 0.917 CA 1.400 13 residues pruned to eliminate duplicates Z: 62 39.031 2.112 0.650 0.684 0.885 0.541 CB 1.369 62 residues pruned to eliminate duplicates Z: 21 20.045 2.056 0.625 0.566 0.850 0.600 CB 1.481 21 residues pruned to eliminate duplicates Z: 21 23.817 2.222 0.304 0.642 0.900 0.600 CB 1.788 21 residues pruned to eliminate duplicates Z: 11 13.955 1.657 0.898 0.924 1.000 0.800 CB 0.985 Z: 17 23.670 1.891 0.837 0.807 0.938 0.438 CB 1.390 17 residues pruned to eliminate duplicates Z: 13 19.033 2.119 0.853 0.879 0.833 0.500 CB 1.218 13 residues pruned to eliminate duplicates Z: 11 18.688 1.868 0.813 0.893 1.000 0.800 CA 1.253 11 residues pruned to eliminate duplicates Z: 6 3.776 1.490 0.674 0.336 0.800 0.600 CB 1.013 6 residues pruned to eliminate duplicates Z: 28 24.366 2.027 0.747 0.676 0.926 0.630 CB 1.216 28 residues pruned to eliminate duplicates Z: 17 35.593 1.996 1.275 0.850 1.000 0.625 CA 1.451 17 residues pruned to eliminate duplicates Z: 13 15.560 1.985 0.649 0.721 1.000 0.750 CB 1.124 12 residues pruned to eliminate duplicates Z: 13 20.790 1.809 0.900 0.853 1.000 0.583 CB 1.291 13 residues pruned to eliminate duplicates Z: 80 57.474 2.117 0.929 0.671 0.962 0.494 CB 1.406 80 residues pruned to eliminate duplicates Z: 16 13.700 1.917 0.391 0.652 1.000 0.733 CB 1.152 16 residues pruned to eliminate duplicates 6 1.800 1.494 -0.145 0.571 0.800 0.800 CB 0.735 ? Using tripeptides from previous cycle as seeds Z: 8 18.642 2.055 1.029 0.674 1.000 0.714 CA 1.439 Z: 7 4.165 1.426 0.722 0.462 0.833 0.500 N 0.863 Z: 6 5.423 1.679 1.124 0.423 0.800 0.600 CA 0.921 Z: 6 3.091 1.637 0.990 0.333 0.800 0.400 N 0.636 Z: 9 5.755 1.555 0.472 0.554 1.000 0.625 N 0.844 9 residues pruned to eliminate duplicates Z: 24 26.220 2.096 0.851 0.592 0.913 0.652 CB 1.414 24 residues pruned to eliminate duplicates Z: 84 43.981 2.056 0.774 0.631 0.880 0.651 CB 1.331 84 residues pruned to eliminate duplicates Z: 23 30.279 2.145 1.007 0.578 0.955 0.682 CA 1.458 55 residues pruned to eliminate duplicates Z: 6 6.097 1.789 0.573 0.464 1.000 0.800 N 1.005 6 residues pruned to eliminate duplicates Z: 23 25.519 2.052 0.868 0.563 0.955 0.773 CB 1.399 23 residues pruned to eliminate duplicates Z: 82 50.630 2.119 0.825 0.653 0.926 0.691 CB 1.362 82 residues pruned to eliminate duplicates Z: 133 64.115 2.124 0.876 0.543 0.909 0.614 CB 1.477 133 residues pruned to eliminate duplicates Z: 74 50.857 2.138 0.877 0.640 0.904 0.671 CB 1.439 74 residues pruned to eliminate duplicates Z: 24 24.129 2.055 0.932 0.532 0.870 0.478 CB 1.413 24 residues pruned to eliminate duplicates Z: 67 50.078 2.179 0.817 0.648 0.939 0.606 CB 1.443 67 residues pruned to eliminate duplicates Z: 74 50.504 2.118 0.887 0.663 0.904 0.644 CB 1.407 74 residues pruned to eliminate duplicates Z: 84 44.149 2.067 0.742 0.616 0.892 0.602 CB 1.353 84 residues pruned to eliminate duplicates Z: 74 48.363 2.121 0.886 0.644 0.918 0.562 CB 1.348 74 residues pruned to eliminate duplicates Z: 71 47.427 2.154 0.828 0.666 0.900 0.657 CB 1.371 71 residues pruned to eliminate duplicates Z: 65 42.845 2.145 0.737 0.636 0.906 0.531 CB 1.396 65 residues pruned to eliminate duplicates Z: 82 50.965 2.116 0.826 0.661 0.938 0.593 CB 1.345 82 residues pruned to eliminate duplicates Z: 53 44.364 2.184 0.838 0.700 0.923 0.635 CB 1.383 53 residues pruned to eliminate duplicates Z: 64 50.152 2.202 0.853 0.680 0.921 0.556 CB 1.426 64 residues pruned to eliminate duplicates Z: 59 42.606 2.071 0.897 0.688 0.897 0.586 CB 1.337 59 residues pruned to eliminate duplicates Z: 61 43.002 2.193 0.732 0.646 0.917 0.600 CB 1.392 61 residues pruned to eliminate duplicates Z: 52 45.021 2.181 0.765 0.715 0.941 0.647 CB 1.432 52 residues pruned to eliminate duplicates Z: 54 42.131 2.148 0.787 0.663 0.906 0.642 CB 1.431 54 residues pruned to eliminate duplicates Z: 63 38.580 2.094 0.675 0.649 0.903 0.694 CB 1.346 63 residues pruned to eliminate duplicates Z: 55 45.099 2.111 0.820 0.687 0.963 0.648 CB 1.398 55 residues pruned to eliminate duplicates Z: 75 49.115 2.128 0.866 0.647 0.932 0.662 CB 1.345 75 residues pruned to eliminate duplicates Z: 52 46.593 2.200 0.858 0.704 0.941 0.647 CB 1.409 52 residues pruned to eliminate duplicates Z: 22 17.526 2.107 0.273 0.574 0.905 0.524 CB 1.467 22 residues pruned to eliminate duplicates Z: 84 51.124 2.088 0.856 0.644 0.928 0.614 CB 1.364 84 residues pruned to eliminate duplicates Z: 55 42.323 2.144 0.779 0.653 0.944 0.667 CB 1.386 55 residues pruned to eliminate duplicates Z: 73 50.516 2.153 0.948 0.653 0.917 0.681 CB 1.344 73 residues pruned to eliminate duplicates Z: 60 33.750 2.082 0.665 0.511 0.864 0.593 CB 1.450 60 residues pruned to eliminate duplicates Z: 55 43.241 2.155 0.848 0.679 0.907 0.630 CB 1.381 55 residues pruned to eliminate duplicates Z: 58 40.151 2.095 0.849 0.630 0.895 0.702 CB 1.358 58 residues pruned to eliminate duplicates Z: 81 44.665 2.049 0.790 0.600 0.900 0.575 CB 1.376 81 residues pruned to eliminate duplicates Z: 55 40.985 2.151 0.693 0.668 0.944 0.556 CB 1.388 55 residues pruned to eliminate duplicates Z: 74 51.242 2.135 0.982 0.661 0.890 0.644 CB 1.372 74 residues pruned to eliminate duplicates Z: 62 45.757 2.128 0.789 0.701 0.934 0.623 CB 1.371 62 residues pruned to eliminate duplicates Z: 75 54.028 2.155 0.891 0.648 0.946 0.676 CB 1.419 75 residues pruned to eliminate duplicates Z: 74 52.035 2.132 0.900 0.628 0.945 0.644 CB 1.410 74 residues pruned to eliminate duplicates Z: 82 47.329 2.056 0.914 0.624 0.914 0.568 CB 1.302 82 residues pruned to eliminate duplicates Z: 63 43.522 2.110 0.714 0.656 0.935 0.677 CB 1.413 63 residues pruned to eliminate duplicates Z: 54 43.345 2.154 0.792 0.666 0.925 0.679 CB 1.431 54 residues pruned to eliminate duplicates Z: 83 46.825 2.087 0.796 0.653 0.890 0.537 CB 1.344 83 residues pruned to eliminate duplicates Z: 64 43.173 2.081 0.822 0.644 0.921 0.651 CB 1.362 64 residues pruned to eliminate duplicates Z: 81 43.956 2.090 0.700 0.635 0.900 0.600 CB 1.354 81 residues pruned to eliminate duplicates Z: 46 33.649 2.035 0.882 0.646 0.911 0.733 CB 1.254 46 residues pruned to eliminate duplicates Z: 56 39.669 2.097 0.760 0.635 0.945 0.618 CB 1.350 56 residues pruned to eliminate duplicates Z: 64 40.916 2.094 0.717 0.647 0.937 0.635 CB 1.334 64 residues pruned to eliminate duplicates Z: 57 44.564 2.114 0.708 0.705 0.946 0.696 CB 1.447 57 residues pruned to eliminate duplicates Z: 53 43.595 2.198 0.722 0.694 0.942 0.654 CB 1.419 53 residues pruned to eliminate duplicates Z: 63 43.453 2.092 0.730 0.649 0.935 0.645 CB 1.419 63 residues pruned to eliminate duplicates Z: 54 45.784 2.167 0.783 0.695 0.962 0.755 CB 1.416 54 residues pruned to eliminate duplicates Z: 65 46.942 2.177 0.765 0.666 0.922 0.703 CB 1.421 65 residues pruned to eliminate duplicates Z: 56 43.411 2.136 0.769 0.679 0.927 0.673 CB 1.418 56 residues pruned to eliminate duplicates Z: 73 51.554 2.167 0.836 0.656 0.958 0.653 CB 1.379 73 residues pruned to eliminate duplicates Z: 62 42.444 2.124 0.735 0.681 0.918 0.623 CB 1.360 62 residues pruned to eliminate duplicates Z: 37 36.087 2.105 0.892 0.696 0.972 0.806 CB 1.299 37 residues pruned to eliminate duplicates Z: 75 55.028 2.144 0.872 0.662 0.946 0.689 CB 1.450 75 residues pruned to eliminate duplicates Z: 101 53.524 2.087 0.760 0.638 0.930 0.660 CB 1.378 101 residues pruned to eliminate duplicates Z: 52 45.764 2.213 0.793 0.707 0.941 0.725 CB 1.422 52 residues pruned to eliminate duplicates Z: 55 45.041 2.162 0.722 0.704 0.981 0.667 CB 1.393 55 residues pruned to eliminate duplicates Z: 9 6.038 1.792 0.664 0.402 0.875 0.750 CB 0.907 9 residues pruned to eliminate duplicates Z: 10 3.703 1.510 0.595 0.420 0.778 0.556 CB 0.716 10 residues pruned to eliminate duplicates Z: 60 39.601 2.081 0.669 0.646 0.915 0.644 CB 1.415 60 residues pruned to eliminate duplicates Z: 76 50.058 2.124 0.789 0.654 0.947 0.600 CB 1.392 76 residues pruned to eliminate duplicates Z: 12 5.192 1.584 0.597 0.287 0.818 0.455 CB 0.962 12 residues pruned to eliminate duplicates Z: 21 16.013 1.851 0.452 0.594 0.900 0.550 CB 1.353 21 residues pruned to eliminate duplicates Z: 15 12.590 1.881 0.471 0.624 0.857 0.714 CB 1.263 15 residues pruned to eliminate duplicates Z: 14 12.323 1.984 0.340 0.667 0.769 0.692 CB 1.433 14 residues pruned to eliminate duplicates Z: 14 10.604 1.889 0.245 0.633 0.923 0.462 CB 1.195 14 residues pruned to eliminate duplicates Z: 18 14.859 1.901 0.464 0.562 0.882 0.471 CB 1.381 18 residues pruned to eliminate duplicates Z: 14 14.690 1.955 0.559 0.653 0.846 0.615 CB 1.370 14 residues pruned to eliminate duplicates Z: 20 18.865 1.864 0.683 0.567 0.947 0.474 CB 1.365 20 residues pruned to eliminate duplicates Z: 10 24.337 2.025 1.032 0.909 1.000 0.667 CB 1.399 10 residues pruned to eliminate duplicates Z: 38 20.679 1.811 0.490 0.605 0.946 0.541 CB 1.205 36 residues pruned to eliminate duplicates Z: 10 19.096 1.875 0.885 0.910 1.000 0.667 CB 1.278 10 residues pruned to eliminate duplicates Z: 16 11.412 1.821 0.474 0.632 0.733 0.667 CB 1.322 16 residues pruned to eliminate duplicates Z: 15 16.865 1.942 0.426 0.710 0.929 0.714 CB 1.449 15 residues pruned to eliminate duplicates Z: 24 10.671 1.659 0.349 0.549 0.913 0.609 CB 1.038 24 residues pruned to eliminate duplicates Z: 20 13.850 1.766 0.541 0.597 0.947 0.526 CB 1.124 20 residues pruned to eliminate duplicates Z: 18 9.624 1.806 0.130 0.571 1.000 0.588 CB 1.069 18 residues pruned to eliminate duplicates Z: 35 22.908 1.890 0.573 0.591 0.971 0.647 CB 1.247 35 residues pruned to eliminate duplicates Z: 11 14.639 1.873 0.649 0.793 0.900 0.700 CB 1.288 11 residues pruned to eliminate duplicates Z: 19 11.594 1.739 0.494 0.638 1.000 0.556 CB 0.924 19 residues pruned to eliminate duplicates Z: 17 13.537 1.849 0.538 0.637 0.938 0.562 CB 1.116 17 residues pruned to eliminate duplicates Z: 40 24.217 1.920 0.561 0.531 0.949 0.436 CB 1.322 55 residues pruned to eliminate duplicates Z: 11 17.135 1.937 0.646 0.827 1.000 0.900 CA 1.280 11 residues pruned to eliminate duplicates Z: 14 14.538 1.940 0.486 0.721 1.000 0.769 CB 1.145 14 residues pruned to eliminate duplicates Z: 122 54.785 2.101 0.738 0.534 0.901 0.554 CB 1.465 122 residues pruned to eliminate duplicates Z: 67 38.573 2.048 0.794 0.479 0.909 0.485 CB 1.452 67 residues pruned to eliminate duplicates Z: 109 65.080 2.149 0.888 0.613 0.944 0.630 CB 1.469 109 residues pruned to eliminate duplicates Z: 97 55.329 2.125 0.843 0.556 0.927 0.615 CB 1.472 97 residues pruned to eliminate duplicates Z: 89 53.120 2.083 0.767 0.664 0.943 0.648 CB 1.402 89 residues pruned to eliminate duplicates Z: 113 61.434 2.128 0.796 0.587 0.946 0.580 CB 1.476 113 residues pruned to eliminate duplicates Z: 65 43.670 2.089 0.953 0.498 0.922 0.547 CB 1.454 65 residues pruned to eliminate duplicates Z: 92 57.192 2.137 0.898 0.596 0.912 0.604 CB 1.479 92 residues pruned to eliminate duplicates Z: 111 61.732 2.156 0.831 0.601 0.909 0.682 CB 1.490 111 residues pruned to eliminate duplicates Z: 112 65.887 2.141 0.870 0.591 0.955 0.640 CB 1.499 112 residues pruned to eliminate duplicates Z: 99 58.692 2.115 0.899 0.562 0.939 0.541 CB 1.481 99 residues pruned to eliminate duplicates Z: 113 61.273 2.109 0.930 0.571 0.902 0.562 CB 1.472 113 residues pruned to eliminate duplicates Z: 109 63.879 2.137 0.856 0.612 0.935 0.602 CB 1.490 109 residues pruned to eliminate duplicates Z: 99 59.724 2.119 0.865 0.567 0.949 0.612 CB 1.508 99 residues pruned to eliminate duplicates Z: 99 56.698 2.104 0.903 0.551 0.918 0.612 CB 1.481 99 residues pruned to eliminate duplicates Z: 114 60.849 2.134 0.840 0.579 0.920 0.602 CB 1.468 114 residues pruned to eliminate duplicates Z: 57 41.111 2.126 0.915 0.514 0.929 0.571 CB 1.432 57 residues pruned to eliminate duplicates Z: 81 52.251 2.107 0.899 0.643 0.887 0.713 CB 1.439 81 residues pruned to eliminate duplicates Z: 97 56.711 2.109 0.854 0.628 0.938 0.510 CB 1.399 97 residues pruned to eliminate duplicates Z: 112 62.519 2.138 0.813 0.593 0.955 0.577 CB 1.467 112 residues pruned to eliminate duplicates Z: 115 63.208 2.122 0.869 0.594 0.930 0.579 CB 1.467 115 residues pruned to eliminate duplicates Z: 50 31.552 2.107 0.785 0.414 0.878 0.469 CB 1.495 50 residues pruned to eliminate duplicates Z: 70 52.750 2.126 0.892 0.668 0.913 0.725 CB 1.480 70 residues pruned to eliminate duplicates Z: 97 60.284 2.125 0.910 0.560 0.927 0.583 CB 1.542 97 residues pruned to eliminate duplicates Z: 51 33.025 2.118 0.769 0.408 0.900 0.460 CB 1.525 51 residues pruned to eliminate duplicates Z: 99 54.252 2.100 0.783 0.558 0.929 0.602 CB 1.489 99 residues pruned to eliminate duplicates Z: 107 65.927 2.148 0.837 0.622 0.962 0.594 CB 1.503 107 residues pruned to eliminate duplicates Z: 51 33.636 2.055 0.913 0.464 0.880 0.500 CB 1.426 51 residues pruned to eliminate duplicates Z: 50 36.697 2.133 0.887 0.416 0.939 0.510 CB 1.514 50 residues pruned to eliminate duplicates Z: 46 30.799 2.108 0.804 0.451 0.867 0.533 CB 1.465 46 residues pruned to eliminate duplicates Z: 112 65.952 2.126 0.904 0.603 0.955 0.604 CB 1.468 112 residues pruned to eliminate duplicates Z: 84 52.798 2.070 0.833 0.651 0.940 0.614 CB 1.412 84 residues pruned to eliminate duplicates Z: 112 62.230 2.138 0.863 0.588 0.910 0.604 CB 1.498 112 residues pruned to eliminate duplicates Z: 35 27.734 2.102 0.816 0.388 0.912 0.471 CB 1.539 35 residues pruned to eliminate duplicates Z: 53 34.044 2.049 0.870 0.388 0.904 0.462 CB 1.535 53 residues pruned to eliminate duplicates Z: 72 41.569 2.085 0.889 0.429 0.930 0.549 CB 1.450 72 residues pruned to eliminate duplicates Z: 48 38.815 2.176 0.868 0.441 0.936 0.489 CB 1.581 48 residues pruned to eliminate duplicates Z: 92 62.061 2.131 0.928 0.601 0.956 0.626 CB 1.504 92 residues pruned to eliminate duplicates Z: 113 64.699 2.133 0.873 0.603 0.938 0.589 CB 1.480 113 residues pruned to eliminate duplicates Z: 115 66.514 2.127 0.892 0.595 0.947 0.614 CB 1.493 115 residues pruned to eliminate duplicates Z: 113 62.174 2.113 0.824 0.600 0.929 0.589 CB 1.493 113 residues pruned to eliminate duplicates Z: 50 35.523 2.128 0.839 0.411 0.918 0.592 CB 1.551 50 residues pruned to eliminate duplicates Z: 48 41.002 2.158 0.970 0.430 0.957 0.596 CB 1.581 48 residues pruned to eliminate duplicates Z: 112 64.325 2.139 0.873 0.603 0.928 0.568 CB 1.488 112 residues pruned to eliminate duplicates Z: 105 55.853 2.106 0.856 0.582 0.875 0.587 CB 1.480 105 residues pruned to eliminate duplicates Z: 112 61.673 2.123 0.870 0.603 0.919 0.622 CB 1.455 112 residues pruned to eliminate duplicates Z: 110 64.194 2.138 0.872 0.603 0.936 0.642 CB 1.489 110 residues pruned to eliminate duplicates Z: 60 41.545 2.081 0.832 0.524 0.949 0.644 CB 1.460 60 residues pruned to eliminate duplicates Z: 20 12.808 1.855 0.789 0.283 0.895 0.421 CA 1.265 20 residues pruned to eliminate duplicates Z: 113 63.969 2.134 0.855 0.601 0.946 0.634 CB 1.465 113 residues pruned to eliminate duplicates Z: 110 58.534 2.114 0.789 0.579 0.917 0.606 CB 1.497 110 residues pruned to eliminate duplicates Z: 37 29.370 2.064 0.850 0.378 0.917 0.472 CB 1.592 37 residues pruned to eliminate duplicates Z: 59 44.615 2.139 0.920 0.481 0.948 0.569 CB 1.533 59 residues pruned to eliminate duplicates Z: 112 63.564 2.139 0.837 0.607 0.937 0.649 CB 1.480 112 residues pruned to eliminate duplicates Z: 26 27.652 2.183 0.821 0.380 0.960 0.520 CB 1.647 26 residues pruned to eliminate duplicates Z: 110 48.725 2.085 0.801 0.506 0.862 0.514 CB 1.432 110 residues pruned to eliminate duplicates Z: 60 45.533 2.106 0.863 0.501 0.983 0.576 CB 1.535 60 residues pruned to eliminate duplicates Z: 111 62.839 2.142 0.866 0.600 0.918 0.600 CB 1.485 111 residues pruned to eliminate duplicates Z: 49 36.961 2.149 0.862 0.443 0.917 0.562 CB 1.541 49 residues pruned to eliminate duplicates Z: 114 62.549 2.122 0.866 0.599 0.920 0.655 CB 1.469 114 residues pruned to eliminate duplicates Z: 49 38.059 2.139 0.937 0.455 0.896 0.542 CB 1.549 49 residues pruned to eliminate duplicates Z: 49 43.251 2.164 0.941 0.484 0.958 0.604 CB 1.577 49 residues pruned to eliminate duplicates Z: 98 56.091 2.107 0.768 0.573 0.948 0.588 CB 1.503 98 residues pruned to eliminate duplicates Z: 52 34.174 2.120 0.808 0.462 0.902 0.510 CB 1.439 52 residues pruned to eliminate duplicates Z: 58 31.653 2.038 0.815 0.384 0.877 0.474 CB 1.462 58 residues pruned to eliminate duplicates Z: 22 20.482 2.055 0.636 0.558 0.857 0.667 CB 1.465 22 residues pruned to eliminate duplicates Z: 22 20.256 2.014 0.729 0.533 0.857 0.476 CB 1.433 22 residues pruned to eliminate duplicates Z: 20 25.211 2.164 0.653 0.594 0.947 0.632 CB 1.560 22 residues pruned to eliminate duplicates Z: 6 5.483 1.527 0.909 0.410 1.000 0.400 C 0.925 6 residues pruned to eliminate duplicates Z: 8 12.645 2.056 1.111 0.733 0.857 0.429 CB 1.042 8 residues pruned to eliminate duplicates Z: 13 18.743 2.175 0.743 0.670 0.833 0.500 CA 1.464 13 residues pruned to eliminate duplicates Z: 21 25.156 2.097 0.835 0.584 0.900 0.650 CB 1.498 21 residues pruned to eliminate duplicates Z: 24 21.273 1.944 0.647 0.540 0.913 0.565 CB 1.459 24 residues pruned to eliminate duplicates Z: 23 25.569 2.062 0.800 0.537 0.909 0.682 CB 1.558 20 residues pruned to eliminate duplicates Z: 12 19.038 2.136 0.619 0.821 1.000 0.818 CA 1.257 12 residues pruned to eliminate duplicates Z: 21 24.935 2.099 0.803 0.565 0.900 0.800 CB 1.537 21 residues pruned to eliminate duplicates Z: 41 21.701 1.901 0.535 0.492 0.850 0.525 CB 1.395 59 residues pruned to eliminate duplicates Z: 11 20.032 2.106 0.899 0.671 0.900 0.400 CA 1.502 11 residues pruned to eliminate duplicates Z: 23 15.999 2.038 0.708 0.459 0.682 0.455 CB 1.499 23 residues pruned to eliminate duplicates Z: 25 23.196 2.041 0.711 0.491 0.958 0.542 CB 1.428 25 residues pruned to eliminate duplicates Z: 36 25.234 1.977 0.633 0.528 0.943 0.629 CA 1.363 36 residues pruned to eliminate duplicates Z: 23 16.253 2.008 0.562 0.463 0.864 0.591 CB 1.328 23 residues pruned to eliminate duplicates Z: 36 30.962 2.096 0.848 0.588 0.857 0.571 CA 1.448 36 residues pruned to eliminate duplicates Z: 54 34.891 2.013 0.717 0.549 0.925 0.604 CB 1.429 38 residues pruned to eliminate duplicates Z: 12 26.292 2.084 1.169 0.823 0.909 0.727 CB 1.458 12 residues pruned to eliminate duplicates Z: 32 28.402 1.941 0.816 0.588 0.935 0.677 CB 1.423 32 residues pruned to eliminate duplicates Z: 21 29.166 2.169 0.879 0.538 0.950 0.650 CB 1.622 21 residues pruned to eliminate duplicates Z: 19 28.359 2.166 0.821 0.621 0.944 0.556 CB 1.601 19 residues pruned to eliminate duplicates Z: 33 32.129 1.954 0.707 0.658 0.969 0.594 CA 1.518 33 residues pruned to eliminate duplicates Z: 11 24.122 1.977 1.128 0.872 0.900 0.700 N 1.468 11 residues pruned to eliminate duplicates Z: 29 26.576 2.065 0.571 0.562 0.964 0.643 CB 1.511 29 residues pruned to eliminate duplicates Z: 19 30.143 2.144 0.924 0.603 0.944 0.611 CA 1.653 19 residues pruned to eliminate duplicates Z: 30 27.754 2.019 0.676 0.485 0.966 0.690 CA 1.601 30 residues pruned to eliminate duplicates Z: 31 26.770 1.974 0.627 0.577 0.933 0.600 CB 1.514 31 residues pruned to eliminate duplicates Z: 19 27.560 2.139 0.844 0.603 0.889 0.556 CB 1.680 19 residues pruned to eliminate duplicates Z: 33 29.498 1.968 0.759 0.563 0.938 0.688 CA 1.512 33 residues pruned to eliminate duplicates Z: 29 26.024 2.064 0.696 0.481 0.929 0.607 CB 1.541 29 residues pruned to eliminate duplicates Z: 33 32.090 1.968 0.818 0.616 0.938 0.625 CB 1.515 33 residues pruned to eliminate duplicates Z: 33 29.200 1.976 0.663 0.570 0.969 0.594 CB 1.516 33 residues pruned to eliminate duplicates Z: 32 29.760 2.001 0.788 0.580 0.935 0.677 CB 1.479 32 residues pruned to eliminate duplicates Z: 29 25.911 2.057 0.743 0.503 0.893 0.536 CB 1.525 29 residues pruned to eliminate duplicates Z: 29 25.112 2.021 0.724 0.496 0.929 0.500 CB 1.473 29 residues pruned to eliminate duplicates Z: 54 39.976 2.130 0.738 0.680 0.887 0.660 CB 1.418 54 residues pruned to eliminate duplicates Z: 24 17.391 2.043 0.543 0.550 0.783 0.609 CA 1.400 24 residues pruned to eliminate duplicates Z: 49 43.361 2.146 0.848 0.720 0.938 0.667 CB 1.380 49 residues pruned to eliminate duplicates Z: 113 56.713 2.125 0.730 0.595 0.938 0.571 CB 1.420 113 residues pruned to eliminate duplicates Z: 14 11.624 2.050 0.287 0.760 0.846 0.538 CB 1.147 14 residues pruned to eliminate duplicates Z: 47 38.655 2.086 0.834 0.626 0.870 0.522 CB 1.521 47 residues pruned to eliminate duplicates Z: 14 12.246 2.096 0.597 0.605 0.692 0.538 CB 1.326 14 residues pruned to eliminate duplicates Z: 12 13.342 2.244 0.509 0.627 0.818 0.636 CA 1.288 12 residues pruned to eliminate duplicates Z: 57 36.517 2.101 0.702 0.576 0.911 0.518 CB 1.392 57 residues pruned to eliminate duplicates Z: 54 36.531 2.157 0.803 0.589 0.830 0.604 CB 1.428 54 residues pruned to eliminate duplicates Z: 85 56.026 2.101 0.918 0.666 0.929 0.560 CB 1.400 55 residues pruned to eliminate duplicates Z: 15 25.862 1.997 0.963 0.880 0.929 0.857 CA 1.376 15 residues pruned to eliminate duplicates Z: 54 43.630 2.094 0.895 0.672 0.906 0.623 CB 1.423 54 residues pruned to eliminate duplicates Z: 47 41.373 2.162 0.778 0.724 0.870 0.696 CB 1.491 47 residues pruned to eliminate duplicates Z: 77 46.386 2.089 0.778 0.658 0.895 0.592 CB 1.382 77 residues pruned to eliminate duplicates Z: 59 46.342 2.163 0.861 0.649 0.862 0.621 CB 1.527 59 residues pruned to eliminate duplicates Z: 65 42.426 2.039 0.825 0.680 0.922 0.672 CB 1.310 65 residues pruned to eliminate duplicates Z: 66 38.243 2.046 0.807 0.621 0.862 0.415 CB 1.329 66 residues pruned to eliminate duplicates Z: 39 38.175 2.109 0.869 0.657 0.947 0.632 CB 1.434 39 residues pruned to eliminate duplicates Z: 48 47.553 2.181 0.943 0.702 0.957 0.681 CB 1.421 48 residues pruned to eliminate duplicates Z: 37 35.349 2.158 0.802 0.659 0.889 0.556 CB 1.470 37 residues pruned to eliminate duplicates Z: 45 37.420 2.096 0.849 0.631 0.909 0.545 CB 1.415 45 residues pruned to eliminate duplicates Z: 32 39.976 2.172 1.030 0.718 0.903 0.677 CB 1.479 32 residues pruned to eliminate duplicates Z: 54 40.603 2.094 0.960 0.701 0.868 0.698 CB 1.304 54 residues pruned to eliminate duplicates Z: 47 34.920 2.134 0.868 0.676 0.870 0.609 CB 1.262 47 residues pruned to eliminate duplicates Z: 54 45.922 2.128 0.921 0.684 0.943 0.623 CB 1.382 54 residues pruned to eliminate duplicates Z: 48 47.221 2.164 1.045 0.718 0.872 0.617 CB 1.465 48 residues pruned to eliminate duplicates Z: 84 57.629 2.138 0.877 0.705 0.904 0.639 CB 1.448 84 residues pruned to eliminate duplicates Z: 53 40.983 2.110 0.928 0.686 0.865 0.635 CB 1.361 53 residues pruned to eliminate duplicates Z: 99 52.265 2.089 0.874 0.568 0.888 0.541 CB 1.422 70 residues pruned to eliminate duplicates Z: 29 46.345 2.212 1.029 0.823 1.000 0.821 CB 1.475 29 residues pruned to eliminate duplicates Z: 40 38.835 2.085 0.945 0.661 0.872 0.667 CB 1.515 40 residues pruned to eliminate duplicates Z: 59 50.948 2.167 1.022 0.666 0.879 0.586 CB 1.489 59 residues pruned to eliminate duplicates Z: 53 38.256 2.120 0.860 0.653 0.827 0.635 CB 1.411 53 residues pruned to eliminate duplicates Z: 47 48.061 2.193 0.952 0.713 0.891 0.783 CB 1.530 47 residues pruned to eliminate duplicates Z: 35 37.887 2.138 1.006 0.696 0.882 0.647 CB 1.437 35 residues pruned to eliminate duplicates Z: 48 48.015 2.171 1.030 0.709 0.894 0.617 CB 1.472 48 residues pruned to eliminate duplicates Z: 114 61.623 2.138 0.869 0.582 0.920 0.575 CB 1.457 114 residues pruned to eliminate duplicates Z: 113 59.541 2.118 0.860 0.581 0.911 0.643 CB 1.451 113 residues pruned to eliminate duplicates Z: 69 43.942 2.006 0.872 0.677 0.912 0.515 CB 1.322 69 residues pruned to eliminate duplicates Z: 55 44.896 2.131 0.950 0.666 0.889 0.593 CB 1.419 55 residues pruned to eliminate duplicates Z: 52 37.367 2.081 0.785 0.645 0.882 0.471 CB 1.394 52 residues pruned to eliminate duplicates Z: 60 54.382 2.182 0.939 0.688 0.949 0.661 CB 1.483 60 residues pruned to eliminate duplicates Z: 59 48.691 2.151 0.953 0.645 0.931 0.534 CB 1.427 59 residues pruned to eliminate duplicates Z: 15 18.514 2.030 0.849 0.638 0.857 0.357 CB 1.352 15 residues pruned to eliminate duplicates Z: 46 21.208 1.889 0.677 0.382 0.889 0.400 CB 1.272 38 residues pruned to eliminate duplicates Z: 11 19.013 2.024 1.081 0.847 0.900 0.600 CA 1.178 11 residues pruned to eliminate duplicates Z: 14 22.670 2.061 1.099 0.614 0.923 0.538 CB 1.414 19 residues pruned to eliminate duplicates Z: 10 23.263 2.164 1.070 0.738 1.000 0.667 CA 1.398 10 residues pruned to eliminate duplicates Z: 35 25.533 2.030 0.713 0.495 0.912 0.500 CB 1.389 37 residues pruned to eliminate duplicates Z: 13 18.042 2.115 0.692 0.686 0.833 0.833 CA 1.472 13 residues pruned to eliminate duplicates Z: 21 22.087 2.080 0.696 0.593 0.900 0.700 CA 1.423 21 residues pruned to eliminate duplicates Z: 34 27.434 2.054 0.789 0.550 0.879 0.697 CB 1.408 34 residues pruned to eliminate duplicates Z: 13 15.173 1.892 0.495 0.778 0.917 0.833 CA 1.322 13 residues pruned to eliminate duplicates Z: 24 25.257 2.004 0.786 0.537 0.957 0.565 CB 1.483 24 residues pruned to eliminate duplicates Z: 21 22.408 2.046 0.731 0.551 0.950 0.550 CA 1.416 21 residues pruned to eliminate duplicates Z: 23 24.161 2.044 0.687 0.547 0.955 0.500 CB 1.494 23 residues pruned to eliminate duplicates Z: 23 21.941 2.032 0.738 0.554 0.864 0.545 CB 1.456 23 residues pruned to eliminate duplicates Z: 21 22.300 2.097 0.762 0.581 0.850 0.450 CB 1.469 21 residues pruned to eliminate duplicates Z: 35 32.361 2.057 0.900 0.602 0.941 0.500 CB 1.369 33 residues pruned to eliminate duplicates Z: 13 19.121 1.897 0.823 0.801 1.000 0.417 CA 1.226 13 residues pruned to eliminate duplicates Z: 46 37.595 2.136 1.004 0.403 0.956 0.444 CB 1.518 46 residues pruned to eliminate duplicates Z: 60 40.229 2.088 0.866 0.508 0.949 0.593 CB 1.405 60 residues pruned to eliminate duplicates Z: 54 36.026 2.120 0.917 0.396 0.906 0.585 CB 1.501 54 residues pruned to eliminate duplicates Z: 52 39.023 2.195 0.941 0.395 0.902 0.569 CB 1.589 52 residues pruned to eliminate duplicates Z: 18 11.365 1.862 0.995 0.272 0.765 0.471 CB 1.257 18 residues pruned to eliminate duplicates Z: 63 36.183 2.048 0.739 0.456 0.919 0.484 CB 1.468 63 residues pruned to eliminate duplicates Z: 63 38.930 2.067 0.869 0.472 0.935 0.532 CB 1.408 63 residues pruned to eliminate duplicates Z: 53 32.905 2.160 0.731 0.426 0.904 0.596 CB 1.458 53 residues pruned to eliminate duplicates Z: 56 35.312 2.159 0.879 0.388 0.891 0.491 CB 1.483 56 residues pruned to eliminate duplicates Z: 53 34.603 2.087 0.855 0.416 0.942 0.500 CB 1.436 53 residues pruned to eliminate duplicates Z: 55 40.514 2.090 0.910 0.531 0.926 0.593 CB 1.447 55 residues pruned to eliminate duplicates Z: 55 38.305 2.143 0.859 0.404 0.944 0.593 CB 1.533 55 residues pruned to eliminate duplicates Z: 26 21.044 1.999 0.743 0.433 0.960 0.400 CB 1.348 26 residues pruned to eliminate duplicates Z: 54 35.220 2.034 0.844 0.436 0.943 0.547 CB 1.460 54 residues pruned to eliminate duplicates Z: 22 24.449 2.041 0.769 0.581 0.952 0.619 CB 1.435 22 residues pruned to eliminate duplicates Z: 23 26.948 2.127 0.772 0.521 1.000 0.636 CB 1.493 23 residues pruned to eliminate duplicates Z: 47 33.750 2.157 0.855 0.420 0.913 0.565 CB 1.480 47 residues pruned to eliminate duplicates Z: 27 23.927 2.036 0.706 0.554 0.962 0.615 CB 1.333 27 residues pruned to eliminate duplicates Z: 23 23.426 2.134 0.815 0.488 0.909 0.545 CB 1.436 23 residues pruned to eliminate duplicates Z: 65 42.512 2.041 0.887 0.528 0.953 0.562 CB 1.408 65 residues pruned to eliminate duplicates Z: 53 35.568 2.174 0.798 0.430 0.923 0.577 CB 1.470 53 residues pruned to eliminate duplicates Z: 55 34.219 2.105 0.806 0.380 0.907 0.463 CB 1.534 55 residues pruned to eliminate duplicates Z: 55 33.522 2.111 0.829 0.382 0.889 0.407 CB 1.507 55 residues pruned to eliminate duplicates Z: 62 38.514 2.050 0.864 0.522 0.918 0.557 CB 1.375 62 residues pruned to eliminate duplicates Z: 63 38.601 2.051 0.815 0.494 0.935 0.516 CB 1.416 63 residues pruned to eliminate duplicates Z: 46 37.112 2.122 0.948 0.421 0.956 0.556 CB 1.521 46 residues pruned to eliminate duplicates Z: 49 35.624 2.132 0.928 0.421 0.938 0.562 CB 1.449 49 residues pruned to eliminate duplicates Z: 58 35.165 2.067 0.844 0.428 0.912 0.491 CB 1.443 58 residues pruned to eliminate duplicates Z: 54 37.046 2.107 0.892 0.423 0.925 0.528 CB 1.496 54 residues pruned to eliminate duplicates Z: 54 41.368 2.103 0.838 0.514 0.962 0.566 CB 1.507 54 residues pruned to eliminate duplicates Z: 54 34.339 2.078 0.872 0.426 0.887 0.509 CB 1.476 54 residues pruned to eliminate duplicates Z: 58 40.589 2.122 0.914 0.405 0.930 0.526 CB 1.573 77 residues pruned to eliminate duplicates Z: 6 3.250 1.552 0.907 0.354 0.600 0.400 CB 0.958 6 residues pruned to eliminate duplicates Z: 33 25.128 2.141 0.894 0.308 0.875 0.438 CB 1.550 33 residues pruned to eliminate duplicates Z: 45 35.927 2.161 0.866 0.422 0.932 0.591 CB 1.563 45 residues pruned to eliminate duplicates Z: 52 39.611 2.184 0.876 0.409 0.941 0.608 CB 1.582 57 residues pruned to eliminate duplicates Z: 6 7.268 1.759 0.441 0.407 1.000 0.800 CB 1.414 6 residues pruned to eliminate duplicates Z: 57 43.617 2.082 0.978 0.501 0.946 0.518 CB 1.494 57 residues pruned to eliminate duplicates Z: 24 30.267 2.078 0.993 0.434 1.000 0.609 CB 1.631 24 residues pruned to eliminate duplicates Z: 61 32.893 2.021 0.869 0.385 0.867 0.417 CB 1.466 53 residues pruned to eliminate duplicates Z: 7 6.484 1.542 1.031 0.379 0.833 0.167 CA 1.153 7 residues pruned to eliminate duplicates Z: 55 34.885 2.105 0.858 0.384 0.926 0.519 CB 1.483 55 residues pruned to eliminate duplicates Z: 43 32.511 2.095 0.896 0.372 0.929 0.524 CB 1.559 43 residues pruned to eliminate duplicates Z: 32 25.741 2.140 0.816 0.329 0.871 0.419 CB 1.646 32 residues pruned to eliminate duplicates Z: 56 34.707 2.121 0.823 0.386 0.891 0.509 CB 1.532 56 residues pruned to eliminate duplicates Z: 38 25.639 2.046 0.902 0.335 0.865 0.486 CB 1.499 45 residues pruned to eliminate duplicates Z: 8 3.485 1.994 0.107 0.265 0.571 0.429 CA 1.365 8 residues pruned to eliminate duplicates Z: 34 25.433 2.092 0.767 0.363 0.909 0.424 CB 1.526 34 residues pruned to eliminate duplicates Z: 60 36.030 2.110 0.818 0.409 0.898 0.475 CB 1.498 61 residues pruned to eliminate duplicates Z: 12 18.154 2.062 0.425 0.844 0.909 0.636 CB 1.525 12 residues pruned to eliminate duplicates Z: 12 19.401 2.062 0.585 0.732 1.000 0.727 CB 1.453 12 residues pruned to eliminate duplicates Z: 14 17.264 2.043 0.663 0.649 0.846 0.769 CB 1.449 13 residues pruned to eliminate duplicates Z: 11 14.991 2.155 0.244 0.882 0.900 0.800 CA 1.421 11 residues pruned to eliminate duplicates Z: 14 14.909 2.077 0.539 0.661 0.846 0.615 CB 1.316 14 residues pruned to eliminate duplicates Z: 12 22.500 2.103 0.688 0.721 1.000 0.727 CA 1.565 14 residues pruned to eliminate duplicates Z: 11 20.330 2.128 0.835 0.837 0.800 0.300 CB 1.540 11 residues pruned to eliminate duplicates Z: 12 25.762 2.072 1.027 0.703 1.000 0.818 CB 1.538 12 residues pruned to eliminate duplicates Z: 14 15.813 1.988 0.678 0.677 0.846 0.538 CA 1.319 14 residues pruned to eliminate duplicates Z: 14 16.796 2.020 0.656 0.713 0.846 0.769 CB 1.356 14 residues pruned to eliminate duplicates Z: 28 26.561 2.168 0.849 0.541 0.889 0.519 CA 1.378 28 residues pruned to eliminate duplicates Z: 28 22.474 2.017 0.859 0.463 0.926 0.593 CA 1.294 28 residues pruned to eliminate duplicates Z: 35 30.937 2.094 0.856 0.622 0.882 0.588 CB 1.378 83 residues pruned to eliminate duplicates Z: 14 22.672 2.195 0.930 0.589 0.923 0.462 CA 1.477 14 residues pruned to eliminate duplicates Z: 18 18.274 2.115 0.991 0.477 0.882 0.588 CA 1.222 18 residues pruned to eliminate duplicates Z: 55 49.961 2.167 0.871 0.681 0.907 0.704 CB 1.564 55 residues pruned to eliminate duplicates Z: 15 22.821 2.222 0.843 0.535 1.000 0.714 CA 1.440 15 residues pruned to eliminate duplicates Z: 14 17.355 2.046 0.741 0.554 0.923 0.385 CB 1.388 14 residues pruned to eliminate duplicates Z: 26 18.308 1.965 0.717 0.423 0.880 0.560 CB 1.337 26 residues pruned to eliminate duplicates Z: 124 64.518 2.144 0.893 0.580 0.902 0.585 CB 1.471 124 residues pruned to eliminate duplicates 337 residues left after pruning, divided into chains as follows: A: 54 B: 132 C: 11 D: 55 E: 85 CC for partial structure against native data = 36.01 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.471, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.544, Connect. = 0.719 for dens.mod. cycle 2 = 0.300, Contrast = 0.635, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.642, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.650, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.653, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.656, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.658, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.658, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.659, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2446 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 528 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 30.631 2.280 0.498 0.892 1.000 0.667 CA 1.860 B: 15 28.472 2.150 0.677 0.864 0.929 0.643 CA 1.666 13 residues pruned to eliminate duplicates C: 13 34.378 2.328 0.762 0.918 0.917 0.750 CA 1.860 14 residues pruned to eliminate duplicates D: 15 28.104 2.206 0.433 0.915 1.000 0.714 CA 1.679 14 residues pruned to eliminate duplicates E: 12 21.262 2.217 0.861 0.825 1.000 0.727 CA 1.172 F: 15 19.130 2.082 0.840 0.885 0.929 0.429 CB 1.038 G: 11 25.873 2.275 0.795 0.918 1.000 1.000 CA 1.413 H: 12 16.278 1.978 0.694 0.859 0.909 0.727 CB 1.186 I: 9 25.234 2.336 0.907 0.880 0.875 0.750 CA 1.658 9 residues pruned to eliminate duplicates J: 15 28.585 2.132 0.546 0.881 1.000 0.714 CA 1.678 15 residues pruned to eliminate duplicates K: 14 20.776 2.103 0.781 0.922 1.000 0.846 CB 1.082 12 residues pruned to eliminate duplicates L: 14 20.026 2.145 1.073 0.888 0.846 0.615 CB 1.064 14 residues pruned to eliminate duplicates M: 17 15.105 1.730 0.617 0.851 0.938 0.750 CB 1.066 N: 49 44.056 2.112 1.039 0.697 0.917 0.542 CB 1.346 14 residues pruned to eliminate duplicates O: 12 22.281 2.068 0.757 0.901 0.909 0.818 CB 1.452 12 residues pruned to eliminate duplicates P: 11 19.681 2.106 0.979 0.805 0.800 0.700 CA 1.431 Q: 15 25.867 2.091 0.547 0.889 1.000 0.786 CA 1.539 15 residues pruned to eliminate duplicates R: 18 29.536 1.967 0.893 0.829 1.000 0.706 CA 1.448 17 residues pruned to eliminate duplicates S: 18 28.304 1.981 0.906 0.798 0.941 0.765 CB 1.489 18 residues pruned to eliminate duplicates T: 73 57.308 2.199 0.860 0.676 0.958 0.667 CB 1.465 59 residues pruned to eliminate duplicates U: 11 24.663 2.240 0.870 0.865 0.900 0.800 CA 1.516 11 residues pruned to eliminate duplicates V: 12 18.047 1.974 0.864 0.839 0.909 0.818 CB 1.215 11 residues pruned to eliminate duplicates W: 12 23.163 2.121 0.890 0.884 1.000 1.000 CA 1.259 12 residues pruned to eliminate duplicates X: 14 22.124 2.252 0.170 0.922 0.923 0.769 CA 1.774 14 residues pruned to eliminate duplicates Y: 13 25.536 2.146 1.023 0.820 0.917 0.667 CA 1.403 11 residues pruned to eliminate duplicates Z: 109 64.102 2.134 0.910 0.610 0.917 0.620 CB 1.487 54 residues pruned to eliminate duplicates Z: 135 68.132 2.185 0.809 0.568 0.940 0.634 CB 1.482 73 residues pruned to eliminate duplicates Z: 17 23.691 2.034 0.595 0.835 0.938 0.688 CB 1.459 17 residues pruned to eliminate duplicates Z: 14 23.658 2.194 0.262 0.902 1.000 0.769 CA 1.691 14 residues pruned to eliminate duplicates Z: 18 27.253 1.954 0.901 0.841 0.941 0.588 CA 1.410 18 residues pruned to eliminate duplicates Z: 24 25.910 2.025 0.971 0.556 0.870 0.652 CB 1.474 12 residues pruned to eliminate duplicates Z: 34 18.995 1.954 0.633 0.493 0.909 0.606 CB 1.148 34 residues pruned to eliminate duplicates Z: 12 23.639 1.966 1.042 0.825 0.909 0.818 CA 1.474 12 residues pruned to eliminate duplicates Z: 11 10.533 1.843 0.129 0.724 0.900 0.400 CB 1.453 11 residues pruned to eliminate duplicates Z: 11 19.104 2.107 0.562 0.853 1.000 0.800 CA 1.356 Z: 11 20.561 2.154 0.374 0.880 1.000 0.800 CA 1.592 11 residues pruned to eliminate duplicates Z: 94 52.486 2.116 0.888 0.539 0.892 0.581 CB 1.469 94 residues pruned to eliminate duplicates Z: 11 12.773 1.796 0.265 0.904 0.900 0.900 CA 1.407 Z: 9 12.432 1.915 0.621 0.566 1.000 0.750 CA 1.327 Z: 12 18.109 2.149 0.531 0.856 0.909 0.727 CA 1.347 12 residues pruned to eliminate duplicates Z: 12 24.722 2.037 0.920 0.944 1.000 1.000 CB 1.321 12 residues pruned to eliminate duplicates Z: 32 30.741 2.187 0.955 0.409 0.871 0.581 CA 1.632 34 residues pruned to eliminate duplicates Z: 12 18.734 2.205 0.599 0.754 0.909 0.364 CB 1.406 Z: 17 31.285 1.938 1.043 0.874 0.938 0.562 CB 1.533 17 residues pruned to eliminate duplicates Z: 14 11.922 1.560 0.432 0.838 1.000 0.846 CA 1.107 11 residues pruned to eliminate duplicates Z: 14 23.553 1.943 0.930 0.880 1.000 0.846 CA 1.262 14 residues pruned to eliminate duplicates Z: 13 12.903 1.657 0.399 0.913 1.000 1.000 CA 1.136 12 residues pruned to eliminate duplicates Z: 14 22.626 2.036 0.759 0.936 0.923 0.846 CB 1.322 14 residues pruned to eliminate duplicates Z: 20 17.057 2.001 0.404 0.613 0.947 0.737 CB 1.321 20 residues pruned to eliminate duplicates Z: 14 21.858 2.064 0.545 0.912 1.000 0.615 CB 1.347 14 residues pruned to eliminate duplicates Z: 10 27.269 2.289 1.022 0.880 1.000 0.889 CA 1.423 10 residues pruned to eliminate duplicates Z: 13 16.354 2.039 0.552 0.874 0.833 0.750 CA 1.304 13 residues pruned to eliminate duplicates Z: 14 30.038 2.310 0.531 0.912 0.923 0.769 CA 1.806 14 residues pruned to eliminate duplicates Z: 13 21.969 2.107 0.633 0.906 1.000 0.750 CB 1.310 13 residues pruned to eliminate duplicates Z: 10 21.235 2.253 0.768 0.868 0.889 0.444 CA 1.461 Z: 10 23.237 2.134 0.783 0.756 1.000 0.667 CA 1.621 10 residues pruned to eliminate duplicates Z: 17 22.926 2.007 0.563 0.857 0.938 0.750 CB 1.436 17 residues pruned to eliminate duplicates Z: 14 35.742 2.276 0.723 0.909 1.000 0.385 CA 1.794 14 residues pruned to eliminate duplicates Z: 95 54.275 2.118 0.847 0.578 0.926 0.596 CB 1.434 95 residues pruned to eliminate duplicates Z: 8 9.355 1.714 0.407 0.823 1.000 0.714 CA 1.108 8 residues pruned to eliminate duplicates Z: 8 9.206 1.737 0.643 0.673 1.000 0.714 CA 1.039 8 residues pruned to eliminate duplicates Z: 14 12.181 2.145 0.739 0.860 0.846 0.615 CB 0.787 14 residues pruned to eliminate duplicates Z: 114 59.562 2.111 0.761 0.596 0.929 0.619 CB 1.479 114 residues pruned to eliminate duplicates Z: 14 20.258 2.068 0.661 0.919 0.923 0.923 CB 1.249 14 residues pruned to eliminate duplicates Z: 11 31.829 2.306 1.023 0.911 1.000 0.800 CA 1.529 11 residues pruned to eliminate duplicates Z: 73 49.405 2.186 0.746 0.661 0.903 0.639 CB 1.455 73 residues pruned to eliminate duplicates Z: 12 16.259 2.049 0.515 0.775 1.000 0.727 CA 1.238 12 residues pruned to eliminate duplicates Z: 12 19.705 2.048 0.805 0.794 1.000 0.818 CA 1.242 11 residues pruned to eliminate duplicates Z: 14 15.683 1.838 0.453 0.804 1.000 0.769 CA 1.249 14 residues pruned to eliminate duplicates Z: 10 23.000 2.233 0.835 0.877 1.000 0.667 CA 1.359 10 residues pruned to eliminate duplicates Z: 13 22.206 2.100 0.705 0.868 1.000 0.500 CB 1.309 13 residues pruned to eliminate duplicates Z: 57 34.544 2.120 0.732 0.389 0.911 0.536 CB 1.553 57 residues pruned to eliminate duplicates Z: 10 10.033 1.773 0.608 0.738 0.889 0.889 CB 1.066 10 residues pruned to eliminate duplicates Z: 11 13.329 1.825 0.314 0.854 0.900 0.900 CB 1.442 11 residues pruned to eliminate duplicates Z: 12 18.994 2.085 0.701 0.783 1.000 0.545 CA 1.259 12 residues pruned to eliminate duplicates Z: 12 14.759 1.981 0.589 0.783 0.818 0.636 CA 1.347 12 residues pruned to eliminate duplicates Z: 107 54.966 2.107 0.815 0.588 0.906 0.566 CB 1.418 107 residues pruned to eliminate duplicates Z: 14 23.688 2.184 0.456 0.860 0.923 0.615 CA 1.646 14 residues pruned to eliminate duplicates Z: 60 43.633 2.181 0.873 0.475 0.915 0.576 CB 1.558 61 residues pruned to eliminate duplicates Z: 14 22.553 2.180 0.849 0.897 0.923 0.769 CB 1.204 14 residues pruned to eliminate duplicates Z: 107 54.726 2.104 0.820 0.611 0.877 0.632 CB 1.424 105 residues pruned to eliminate duplicates Z: 35 24.063 2.038 0.724 0.378 0.882 0.441 CB 1.516 35 residues pruned to eliminate duplicates Z: 31 27.459 2.110 0.779 0.383 0.967 0.633 CB 1.565 31 residues pruned to eliminate duplicates Z: 7 5.803 1.897 0.609 0.576 0.833 0.500 CA 0.866 7 residues pruned to eliminate duplicates Z: 98 58.942 2.118 0.822 0.577 0.948 0.577 CB 1.517 98 residues pruned to eliminate duplicates Z: 13 16.454 1.909 0.484 0.818 1.000 0.750 CA 1.272 13 residues pruned to eliminate duplicates Z: 13 20.123 2.116 0.740 0.810 0.833 0.667 CB 1.444 12 residues pruned to eliminate duplicates Z: 93 52.587 2.102 0.743 0.559 0.946 0.620 CB 1.494 93 residues pruned to eliminate duplicates Z: 12 13.132 1.941 0.372 0.815 0.909 0.636 CA 1.244 12 residues pruned to eliminate duplicates Z: 65 48.035 2.107 0.827 0.625 0.938 0.609 CB 1.479 65 residues pruned to eliminate duplicates Z: 13 11.807 1.865 0.348 0.683 0.917 0.583 CB 1.251 13 residues pruned to eliminate duplicates Z: 15 22.664 2.125 0.811 0.893 1.000 0.857 CB 1.130 15 residues pruned to eliminate duplicates Z: 17 28.117 1.988 0.849 0.864 1.000 0.750 CB 1.403 17 residues pruned to eliminate duplicates Z: 14 14.678 2.094 0.837 0.909 1.000 0.769 CB 0.751 14 residues pruned to eliminate duplicates Z: 10 13.547 1.960 0.433 0.877 0.889 0.889 CB 1.313 10 residues pruned to eliminate duplicates Z: 10 12.433 1.969 0.328 0.890 0.889 0.889 CB 1.283 10 residues pruned to eliminate duplicates Z: 57 47.625 2.195 0.792 0.654 0.946 0.661 CB 1.481 57 residues pruned to eliminate duplicates Z: 110 62.246 2.126 0.867 0.594 0.927 0.615 CB 1.482 110 residues pruned to eliminate duplicates Z: 11 25.211 2.147 1.187 0.859 0.900 0.600 CA 1.388 11 residues pruned to eliminate duplicates Z: 12 15.625 1.723 0.471 0.920 1.000 1.000 CA 1.309 15 residues pruned to eliminate duplicates Z: 15 15.991 2.029 0.519 0.883 0.857 0.786 CB 1.170 15 residues pruned to eliminate duplicates Z: 11 18.124 2.225 0.320 0.876 0.900 0.800 CA 1.576 10 residues pruned to eliminate duplicates Z: 14 22.332 1.823 0.937 0.924 1.000 0.923 CA 1.231 14 residues pruned to eliminate duplicates Z: 8 9.276 1.877 0.449 0.734 1.000 0.857 CB 1.045 8 residues pruned to eliminate duplicates Z: 63 41.270 2.078 0.778 0.503 0.935 0.500 CB 1.512 63 residues pruned to eliminate duplicates Z: 10 7.925 1.648 0.857 0.459 0.667 0.444 CB 1.351 Z: 11 29.378 2.169 1.042 0.834 1.000 0.800 CA 1.572 11 residues pruned to eliminate duplicates Z: 17 11.881 2.119 0.485 0.380 0.750 0.750 CB 1.431 17 residues pruned to eliminate duplicates Z: 9 9.587 1.906 0.327 0.794 1.000 0.500 CB 1.036 9 residues pruned to eliminate duplicates Z: 13 16.126 2.026 0.463 0.828 0.917 0.833 CB 1.290 12 residues pruned to eliminate duplicates Z: 45 36.842 2.130 0.889 0.477 0.886 0.568 CB 1.595 45 residues pruned to eliminate duplicates Z: 10 17.206 2.215 0.404 0.873 1.000 0.778 CA 1.343 10 residues pruned to eliminate duplicates Z: 10 14.743 1.738 0.646 0.823 1.000 0.778 CA 1.299 10 residues pruned to eliminate duplicates Z: 10 18.171 2.195 0.464 0.855 1.000 0.556 CA 1.391 10 residues pruned to eliminate duplicates Z: 14 33.747 2.280 0.640 0.892 1.000 0.692 CA 1.799 14 residues pruned to eliminate duplicates Z: 108 60.275 2.133 0.821 0.601 0.916 0.607 CB 1.487 108 residues pruned to eliminate duplicates Z: 14 20.885 2.079 0.591 0.911 0.923 0.692 CB 1.345 14 residues pruned to eliminate duplicates Z: 15 12.663 1.569 0.642 0.784 0.929 0.643 N 1.101 15 residues pruned to eliminate duplicates Z: 12 7.549 1.441 0.338 0.752 1.000 0.545 CA 0.944 Z: 14 6.635 1.883 0.632 0.358 0.615 0.538 CB 1.134 14 residues pruned to eliminate duplicates Z: 14 31.028 2.278 0.568 0.888 1.000 0.769 CA 1.735 14 residues pruned to eliminate duplicates Z: 18 20.298 1.940 0.840 0.747 0.882 0.588 CB 1.253 18 residues pruned to eliminate duplicates Z: 13 17.850 2.168 0.402 0.941 0.917 0.667 CB 1.283 13 residues pruned to eliminate duplicates Z: 13 21.966 1.867 0.859 0.876 1.000 0.833 CB 1.328 13 residues pruned to eliminate duplicates Z: 16 19.559 1.907 0.801 0.875 0.933 0.667 CB 1.146 16 residues pruned to eliminate duplicates Z: 18 28.287 1.996 0.906 0.832 1.000 0.647 CB 1.354 18 residues pruned to eliminate duplicates Z: 125 61.923 2.100 0.855 0.577 0.903 0.565 CB 1.467 125 residues pruned to eliminate duplicates Z: 15 15.363 1.858 0.652 0.727 0.714 0.571 CA 1.526 15 residues pruned to eliminate duplicates Z: 68 44.217 2.167 0.595 0.671 0.955 0.672 CB 1.397 68 residues pruned to eliminate duplicates Z: 61 35.288 2.127 0.770 0.442 0.867 0.500 CB 1.482 61 residues pruned to eliminate duplicates Z: 17 25.147 1.972 0.753 0.854 0.938 0.812 CB 1.433 17 residues pruned to eliminate duplicates Z: 108 60.277 2.140 0.772 0.614 0.925 0.598 CB 1.491 108 residues pruned to eliminate duplicates Z: 14 25.418 2.132 1.080 0.878 0.923 0.692 CB 1.250 14 residues pruned to eliminate duplicates Z: 7 8.295 1.956 0.915 0.542 0.667 0.500 CA 1.302 Z: 45 35.149 2.097 0.637 0.551 0.955 0.591 CB 1.539 45 residues pruned to eliminate duplicates Z: 73 43.457 2.141 0.706 0.552 0.917 0.472 CB 1.453 73 residues pruned to eliminate duplicates Z: 6 12.640 1.961 1.050 0.666 0.800 0.600 CA 1.508 7 residues pruned to eliminate duplicates Z: 54 36.595 2.166 0.812 0.413 0.906 0.604 CB 1.548 54 residues pruned to eliminate duplicates Z: 15 24.195 2.072 1.024 0.870 1.000 0.786 CB 1.125 15 residues pruned to eliminate duplicates Z: 12 17.313 1.959 0.607 0.865 1.000 0.727 CA 1.215 14 residues pruned to eliminate duplicates Z: 11 10.412 1.790 0.351 0.691 0.900 0.500 CA 1.270 10 residues pruned to eliminate duplicates Z: 7 3.687 1.749 0.285 0.610 0.833 0.667 CB 0.724 7 residues pruned to eliminate duplicates Z: 85 54.568 2.120 0.880 0.669 0.893 0.655 CB 1.431 85 residues pruned to eliminate duplicates Z: 36 37.626 2.104 0.901 0.710 0.971 0.571 CB 1.353 36 residues pruned to eliminate duplicates Z: 14 31.874 2.229 0.745 0.912 0.923 0.769 CA 1.744 14 residues pruned to eliminate duplicates Z: 11 15.156 2.073 0.462 0.774 0.900 0.600 CA 1.379 11 residues pruned to eliminate duplicates Z: 23 24.297 2.060 0.806 0.544 0.909 0.500 CB 1.467 23 residues pruned to eliminate duplicates Z: 11 22.557 2.181 0.615 0.848 1.000 0.700 CA 1.503 11 residues pruned to eliminate duplicates Z: 12 11.945 1.719 0.420 0.779 0.909 0.727 CA 1.269 13 residues pruned to eliminate duplicates Z: 60 41.139 2.078 0.868 0.481 0.932 0.492 CB 1.510 60 residues pruned to eliminate duplicates Z: 22 24.988 2.093 0.789 0.599 0.905 0.619 CB 1.464 23 residues pruned to eliminate duplicates Z: 16 20.051 1.879 0.774 0.926 1.000 0.333 CB 1.089 16 residues pruned to eliminate duplicates Z: 8 5.110 1.589 0.035 0.859 1.000 0.714 CB 0.864 8 residues pruned to eliminate duplicates Z: 12 14.203 1.959 0.446 0.773 1.000 0.455 CA 1.187 12 residues pruned to eliminate duplicates Z: 16 10.897 1.795 0.376 0.704 0.733 0.533 CB 1.290 16 residues pruned to eliminate duplicates Z: 11 24.306 2.186 0.997 0.852 1.000 0.800 CA 1.302 11 residues pruned to eliminate duplicates Z: 23 24.019 2.077 0.659 0.566 0.955 0.682 CB 1.460 23 residues pruned to eliminate duplicates Z: 6 5.414 1.643 0.260 0.770 0.800 0.800 CA 1.150 6 residues pruned to eliminate duplicates Z: 13 17.414 1.867 0.586 0.842 0.917 0.833 CB 1.380 13 residues pruned to eliminate duplicates Z: 14 6.058 1.607 0.949 0.193 0.615 0.462 CB 1.258 14 residues pruned to eliminate duplicates Z: 114 60.749 2.128 0.801 0.611 0.920 0.646 CB 1.459 110 residues pruned to eliminate duplicates Z: 14 15.262 1.750 0.550 0.769 0.923 0.846 CB 1.332 14 residues pruned to eliminate duplicates Z: 11 9.037 1.846 1.005 0.441 0.900 0.600 CB 0.912 7 residues pruned to eliminate duplicates Z: 11 19.406 2.107 0.579 0.800 1.000 0.600 CA 1.418 11 residues pruned to eliminate duplicates Z: 10 16.165 2.136 0.754 0.913 0.889 0.333 CB 1.145 10 residues pruned to eliminate duplicates Z: 11 15.573 1.812 0.539 0.838 1.000 0.500 CB 1.319 12 residues pruned to eliminate duplicates Z: 6 6.317 1.435 0.493 0.783 1.000 1.000 N 1.027 Z: 88 49.307 2.118 0.768 0.615 0.897 0.632 CB 1.412 88 residues pruned to eliminate duplicates Z: 35 24.312 1.965 0.638 0.650 0.882 0.588 CB 1.277 35 residues pruned to eliminate duplicates Z: 13 20.318 2.128 0.721 0.866 0.917 0.583 CB 1.280 13 residues pruned to eliminate duplicates Z: 96 49.950 2.113 0.835 0.573 0.895 0.579 CB 1.377 96 residues pruned to eliminate duplicates Z: 11 21.257 2.082 1.024 0.869 0.800 0.600 CA 1.456 11 residues pruned to eliminate duplicates Z: 8 6.411 1.648 0.241 0.710 1.000 0.857 CB 0.980 10 residues pruned to eliminate duplicates Z: 17 34.280 1.965 1.238 0.868 1.000 0.625 CA 1.425 17 residues pruned to eliminate duplicates Z: 12 15.093 1.839 0.773 0.783 0.818 0.636 CA 1.330 12 residues pruned to eliminate duplicates Z: 6 2.705 1.800 -0.262 0.530 1.000 0.800 CB 0.885 Z: 12 9.217 1.857 0.392 0.794 0.818 0.455 CA 1.015 12 residues pruned to eliminate duplicates Z: 8 5.447 1.822 -0.276 0.631 1.000 0.714 CB 1.379 6 residues pruned to eliminate duplicates Z: 7 3.703 1.698 0.276 0.398 0.667 0.667 N 1.166 Z: 14 17.649 1.853 0.623 0.915 1.000 1.000 CA 1.150 14 residues pruned to eliminate duplicates Z: 10 10.634 2.224 0.471 0.823 0.667 0.444 CA 1.229 10 residues pruned to eliminate duplicates Z: 6 7.573 1.941 1.315 0.572 0.800 0.800 CB 0.879 Z: 15 14.785 1.722 0.427 0.831 1.000 0.786 CB 1.208 15 residues pruned to eliminate duplicates Z: 51 37.198 2.167 0.857 0.420 0.900 0.480 CB 1.578 51 residues pruned to eliminate duplicates Z: 11 9.931 1.787 0.671 0.696 0.800 0.600 CB 1.100 11 residues pruned to eliminate duplicates Z: 10 5.137 1.547 0.003 0.407 1.000 0.444 C 1.217 Z: 7 7.501 1.726 0.426 0.778 1.000 0.833 CA 0.974 7 residues pruned to eliminate duplicates Z: 22 25.494 2.118 0.575 0.596 0.952 0.762 CA 1.599 22 residues pruned to eliminate duplicates Z: 14 15.121 2.076 0.388 0.454 1.000 0.692 CB 1.526 14 residues pruned to eliminate duplicates Z: 54 40.182 2.054 0.686 0.606 0.962 0.623 CB 1.497 48 residues pruned to eliminate duplicates Z: 32 25.762 2.142 0.831 0.344 0.871 0.548 CB 1.605 32 residues pruned to eliminate duplicates Z: 11 8.424 1.783 -0.015 0.853 0.900 0.900 CB 1.246 Z: 10 24.136 2.183 1.191 0.885 0.889 0.778 CB 1.366 10 residues pruned to eliminate duplicates Z: 27 25.165 2.153 0.800 0.367 0.923 0.500 CB 1.591 27 residues pruned to eliminate duplicates Z: 77 43.513 2.098 0.677 0.603 0.882 0.592 CB 1.459 77 residues pruned to eliminate duplicates Z: 13 18.210 2.004 0.623 0.868 0.917 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 12 21.765 1.942 0.813 0.876 1.000 0.727 CB 1.355 12 residues pruned to eliminate duplicates Z: 18 11.744 1.900 0.160 0.618 0.941 0.588 CB 1.228 18 residues pruned to eliminate duplicates Z: 61 36.905 2.139 0.747 0.465 0.933 0.583 CB 1.415 61 residues pruned to eliminate duplicates Z: 7 2.821 1.551 0.203 0.248 0.667 0.333 C 1.236 Z: 7 2.670 1.436 0.449 0.309 0.667 0.333 CB 0.971 Z: 23 26.012 2.128 0.801 0.560 0.955 0.636 CA 1.429 23 residues pruned to eliminate duplicates Z: 14 29.153 2.265 0.531 0.898 1.000 0.692 CA 1.667 14 residues pruned to eliminate duplicates Z: 83 49.641 2.075 0.823 0.571 0.927 0.573 CB 1.460 83 residues pruned to eliminate duplicates Z: 12 25.612 2.031 0.911 0.898 1.000 0.909 CB 1.423 12 residues pruned to eliminate duplicates Z: 23 20.309 2.135 0.625 0.531 0.909 0.545 CA 1.332 23 residues pruned to eliminate duplicates Z: 15 25.822 2.043 0.857 0.927 0.929 0.786 CA 1.373 15 residues pruned to eliminate duplicates Z: 18 22.307 1.922 0.846 0.790 0.941 0.647 CB 1.256 18 residues pruned to eliminate duplicates Z: 10 11.174 1.812 0.719 0.766 0.778 0.667 CB 1.214 10 residues pruned to eliminate duplicates Z: 10 12.373 2.047 0.490 0.556 0.778 0.444 CB 1.648 10 residues pruned to eliminate duplicates Z: 17 25.861 1.965 0.874 0.821 0.938 0.688 CB 1.418 17 residues pruned to eliminate duplicates Z: 12 18.642 1.920 0.552 0.883 1.000 0.727 CB 1.364 12 residues pruned to eliminate duplicates Z: 6 5.533 1.774 -0.119 0.656 1.000 0.800 CB 1.369 7 residues pruned to eliminate duplicates Z: 12 15.786 1.873 0.859 0.611 0.909 0.727 CB 1.354 23 residues pruned to eliminate duplicates Z: 9 7.833 1.761 0.733 0.516 0.750 0.250 CA 1.191 9 residues pruned to eliminate duplicates Z: 12 15.600 1.711 0.633 0.926 1.000 1.000 CB 1.180 11 residues pruned to eliminate duplicates Z: 25 14.474 1.925 0.734 0.621 0.750 0.500 CB 1.053 25 residues pruned to eliminate duplicates Z: 13 16.758 2.114 0.640 0.801 0.833 0.417 CB 1.287 12 residues pruned to eliminate duplicates Z: 11 25.945 2.018 1.235 0.900 1.000 0.600 CA 1.300 11 residues pruned to eliminate duplicates Z: 18 25.996 1.886 0.920 0.832 0.941 0.529 CB 1.389 18 residues pruned to eliminate duplicates Z: 10 23.758 2.195 0.911 0.916 0.889 0.667 CB 1.500 10 residues pruned to eliminate duplicates Z: 11 12.234 1.946 0.281 0.772 0.900 0.500 CB 1.355 11 residues pruned to eliminate duplicates Z: 9 11.741 1.719 0.658 0.796 1.000 0.875 CB 1.124 Z: 11 2.118 1.654 0.079 0.124 0.600 0.300 CB 1.002 10 residues pruned to eliminate duplicates Z: 13 19.240 1.981 0.665 0.908 0.917 0.833 CB 1.305 13 residues pruned to eliminate duplicates Z: 11 8.953 2.045 0.715 0.491 0.700 0.500 CB 1.164 11 residues pruned to eliminate duplicates Z: 8 3.970 1.236 0.574 0.489 0.857 0.429 C 0.910 Z: 33 27.784 2.138 0.801 0.389 0.938 0.531 CB 1.530 33 residues pruned to eliminate duplicates Z: 52 34.516 2.187 0.768 0.399 0.882 0.431 CB 1.576 52 residues pruned to eliminate duplicates Z: 20 12.475 1.830 0.252 0.554 0.947 0.579 CB 1.251 20 residues pruned to eliminate duplicates Z: 14 17.338 1.886 0.764 0.750 0.923 0.385 CA 1.252 14 residues pruned to eliminate duplicates Z: 11 15.444 2.117 0.464 0.826 0.900 0.500 CB 1.320 11 residues pruned to eliminate duplicates Z: 14 20.611 2.053 0.691 0.901 1.000 0.769 CB 1.175 14 residues pruned to eliminate duplicates Z: 114 61.402 2.150 0.778 0.579 0.938 0.681 CB 1.493 114 residues pruned to eliminate duplicates Z: 14 25.149 2.112 0.559 0.836 0.923 0.615 CB 1.717 14 residues pruned to eliminate duplicates Z: 14 27.212 2.125 0.661 0.900 0.923 0.846 CB 1.655 14 residues pruned to eliminate duplicates Z: 8 10.930 1.714 0.590 0.860 1.000 0.714 CB 1.114 8 residues pruned to eliminate duplicates Z: 49 40.301 2.105 0.921 0.710 0.896 0.542 CB 1.327 49 residues pruned to eliminate duplicates Z: 33 29.005 2.043 0.763 0.658 0.906 0.688 CB 1.356 33 residues pruned to eliminate duplicates Z: 7 4.968 1.603 0.990 0.481 0.667 0.500 N 0.972 Z: 9 9.092 1.706 0.296 0.661 0.875 0.875 CB 1.432 9 residues pruned to eliminate duplicates Z: 12 19.323 2.201 0.565 0.871 0.909 0.636 CA 1.356 12 residues pruned to eliminate duplicates Z: 11 24.530 2.284 0.575 0.829 1.000 0.700 CB 1.622 11 residues pruned to eliminate duplicates Z: 7 4.964 1.530 1.184 0.391 0.667 0.667 CA 1.021 6 residues pruned to eliminate duplicates Z: 12 9.334 1.794 0.256 0.780 0.818 0.545 CB 1.193 12 residues pruned to eliminate duplicates Z: 13 12.649 1.761 0.549 0.817 1.000 0.750 CB 1.016 13 residues pruned to eliminate duplicates Z: 20 17.496 1.877 0.703 0.544 0.895 0.737 CB 1.344 11 residues pruned to eliminate duplicates Z: 7 6.343 1.996 -0.006 0.744 0.833 0.667 CA 1.259 7 residues pruned to eliminate duplicates Z: 11 10.744 1.718 0.833 0.888 0.800 0.300 CB 0.971 11 residues pruned to eliminate duplicates Z: 118 62.317 2.137 0.781 0.590 0.923 0.581 CB 1.504 118 residues pruned to eliminate duplicates Z: 13 21.558 1.867 0.684 0.923 1.000 0.917 CB 1.391 13 residues pruned to eliminate duplicates Z: 12 24.785 2.060 0.750 0.902 1.000 1.000 CB 1.478 12 residues pruned to eliminate duplicates Z: 53 36.593 2.169 0.828 0.403 0.904 0.577 CB 1.568 53 residues pruned to eliminate duplicates Z: 12 13.622 1.744 0.487 0.869 1.000 0.818 CA 1.157 12 residues pruned to eliminate duplicates Z: 19 20.542 1.875 0.847 0.780 0.889 0.778 CB 1.229 19 residues pruned to eliminate duplicates Z: 6 2.854 1.611 0.337 0.544 0.600 0.600 CB 0.945 6 residues pruned to eliminate duplicates Z: 15 17.219 1.868 0.580 0.905 0.929 0.643 CA 1.194 15 residues pruned to eliminate duplicates Z: 10 13.113 1.851 0.674 0.877 1.000 0.778 CB 1.024 11 residues pruned to eliminate duplicates Z: 7 5.323 1.618 0.819 0.249 1.000 0.500 N 0.987 Z: 15 33.346 1.993 1.021 0.901 1.000 0.500 CB 1.579 15 residues pruned to eliminate duplicates Z: 11 9.703 1.726 0.153 0.876 0.900 0.900 CB 1.245 11 residues pruned to eliminate duplicates Z: 54 36.625 2.176 0.828 0.397 0.925 0.547 CB 1.524 54 residues pruned to eliminate duplicates Z: 65 43.310 2.065 0.802 0.497 0.953 0.531 CB 1.530 65 residues pruned to eliminate duplicates Z: 12 13.203 1.698 0.334 0.906 1.000 0.818 CB 1.250 12 residues pruned to eliminate duplicates Z: 46 40.585 2.175 0.738 0.678 0.978 0.778 CB 1.389 46 residues pruned to eliminate duplicates Z: 6 3.407 1.478 0.800 0.399 0.600 0.400 CA 1.062 Z: 8 7.647 1.975 0.198 0.700 0.857 0.571 CB 1.188 8 residues pruned to eliminate duplicates Z: 10 6.386 1.707 0.487 0.246 0.778 0.444 O 1.446 10 residues pruned to eliminate duplicates Z: 12 19.187 1.921 0.986 0.737 0.818 0.636 CB 1.498 12 residues pruned to eliminate duplicates Z: 15 14.149 1.863 0.538 0.770 0.929 0.714 CB 1.119 15 residues pruned to eliminate duplicates Z: 10 14.916 1.889 0.799 0.916 1.000 0.778 CB 1.033 10 residues pruned to eliminate duplicates Z: 77 53.447 2.208 0.748 0.666 0.934 0.579 CB 1.459 77 residues pruned to eliminate duplicates Z: 10 11.390 1.711 0.787 0.908 1.000 0.889 CB 0.882 10 residues pruned to eliminate duplicates Z: 17 24.386 1.967 0.717 0.843 0.938 0.750 CB 1.434 17 residues pruned to eliminate duplicates Z: 11 5.176 1.639 0.581 0.296 0.800 0.500 CB 0.993 Z: 12 12.452 1.691 0.717 0.786 0.818 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 17 18.225 2.041 0.581 0.548 0.938 0.750 CA 1.437 17 residues pruned to eliminate duplicates Z: 13 12.863 1.687 0.365 0.816 1.000 0.750 CA 1.225 13 residues pruned to eliminate duplicates Z: 22 22.210 2.030 0.816 0.409 0.905 0.619 CA 1.598 23 residues pruned to eliminate duplicates Z: 75 51.100 2.198 0.746 0.663 0.905 0.662 CB 1.470 75 residues pruned to eliminate duplicates Z: 11 18.663 2.085 0.542 0.805 1.000 0.600 CA 1.407 11 residues pruned to eliminate duplicates Z: 45 39.018 2.119 0.891 0.738 0.955 0.614 CB 1.242 45 residues pruned to eliminate duplicates Z: 15 26.288 2.085 1.051 0.896 1.000 0.786 CB 1.177 15 residues pruned to eliminate duplicates Z: 10 8.988 1.663 0.561 0.858 0.778 0.333 CB 1.093 10 residues pruned to eliminate duplicates Z: 12 22.647 2.122 0.797 0.838 1.000 0.727 CA 1.338 12 residues pruned to eliminate duplicates Z: 8 7.233 1.743 0.631 0.840 0.857 0.571 CB 0.837 8 residues pruned to eliminate duplicates Z: 8 12.086 2.029 0.689 0.742 1.000 0.714 CA 1.073 8 residues pruned to eliminate duplicates Z: 13 15.756 1.764 0.918 0.843 0.917 0.333 CB 1.092 13 residues pruned to eliminate duplicates Z: 12 11.876 1.787 0.366 0.873 1.000 0.727 CB 1.068 12 residues pruned to eliminate duplicates Z: 33 30.209 2.003 0.676 0.621 0.969 0.719 CB 1.465 33 residues pruned to eliminate duplicates Z: 23 25.687 2.035 0.708 0.631 0.955 0.727 CA 1.460 23 residues pruned to eliminate duplicates Z: 18 29.910 1.965 0.952 0.862 1.000 0.824 CA 1.388 18 residues pruned to eliminate duplicates Z: 56 45.422 2.109 0.939 0.547 0.927 0.564 CB 1.544 56 residues pruned to eliminate duplicates Z: 11 15.825 1.829 0.547 0.813 1.000 0.600 CA 1.347 11 residues pruned to eliminate duplicates Z: 6 5.937 1.872 0.289 0.648 1.000 0.800 CB 0.959 Z: 123 65.906 2.198 0.824 0.596 0.910 0.664 CB 1.492 123 residues pruned to eliminate duplicates Z: 13 16.415 1.888 0.298 0.872 1.000 0.583 CB 1.409 13 residues pruned to eliminate duplicates Z: 7 3.205 1.473 0.317 0.444 1.000 0.667 CB 0.714 Z: 26 15.525 1.938 0.611 0.466 0.760 0.480 CA 1.354 26 residues pruned to eliminate duplicates Z: 7 4.246 1.449 0.573 0.295 0.833 0.333 CB 1.148 Z: 8 6.828 1.970 0.431 0.407 0.857 0.571 CA 1.178 8 residues pruned to eliminate duplicates Z: 6 4.100 1.608 1.152 0.292 0.800 0.400 CB 0.837 Z: 26 18.655 2.053 0.627 0.418 0.880 0.560 CB 1.383 26 residues pruned to eliminate duplicates Z: 109 57.389 2.080 0.793 0.599 0.926 0.630 CB 1.455 109 residues pruned to eliminate duplicates Z: 12 9.149 1.636 0.493 0.754 0.909 0.455 CB 0.991 12 residues pruned to eliminate duplicates Z: 10 32.332 2.250 1.246 0.928 1.000 0.444 CB 1.494 10 residues pruned to eliminate duplicates Z: 12 15.347 2.010 0.742 0.488 0.909 0.545 CB 1.471 12 residues pruned to eliminate duplicates Z: 72 53.859 2.192 0.779 0.703 0.915 0.662 CB 1.488 72 residues pruned to eliminate duplicates Z: 133 57.569 2.159 0.669 0.552 0.909 0.614 CB 1.454 133 residues pruned to eliminate duplicates Z: 43 38.543 2.168 0.888 0.479 0.952 0.571 CB 1.558 43 residues pruned to eliminate duplicates Z: 36 27.188 2.134 0.881 0.345 0.886 0.514 CB 1.529 36 residues pruned to eliminate duplicates Z: 10 12.750 1.798 0.487 0.807 0.889 0.556 CA 1.367 10 residues pruned to eliminate duplicates Z: 9 4.144 1.447 0.774 0.282 0.625 0.375 CB 1.168 Z: 14 19.793 1.822 0.840 0.855 0.923 0.769 CB 1.308 14 residues pruned to eliminate duplicates Z: 14 17.954 1.959 0.645 0.918 1.000 0.923 CB 1.090 14 residues pruned to eliminate duplicates Z: 11 16.919 1.996 0.497 0.830 1.000 0.600 CA 1.347 11 residues pruned to eliminate duplicates Z: 10 13.763 2.031 0.551 0.771 0.889 0.556 CA 1.289 10 residues pruned to eliminate duplicates Z: 19 15.935 1.733 0.652 0.594 0.778 0.500 CB 1.542 19 residues pruned to eliminate duplicates Z: 7 7.173 1.919 0.501 0.532 0.833 0.667 CB 1.182 7 residues pruned to eliminate duplicates Z: 12 18.929 1.924 0.553 0.899 1.000 0.727 CB 1.365 12 residues pruned to eliminate duplicates Z: 12 22.986 1.964 0.814 0.893 1.000 0.636 CB 1.396 12 residues pruned to eliminate duplicates Z: 14 12.220 1.481 0.863 0.801 0.846 0.538 CB 1.116 14 residues pruned to eliminate duplicates Z: 8 7.148 1.897 0.123 0.535 1.000 0.571 CB 1.225 8 residues pruned to eliminate duplicates Z: 14 10.487 1.530 0.394 0.868 0.923 0.692 CA 1.080 11 residues pruned to eliminate duplicates Z: 14 14.398 1.625 0.599 0.900 1.000 1.000 CA 1.098 12 residues pruned to eliminate duplicates Z: 11 26.257 2.225 0.893 0.901 1.000 1.000 CA 1.407 11 residues pruned to eliminate duplicates Z: 6 4.570 1.829 -0.237 0.664 1.000 0.600 CB 1.258 Z: 6 7.811 1.289 0.936 0.785 1.000 0.800 CB 1.089 Z: 23 21.749 1.974 0.633 0.574 0.955 0.636 CB 1.403 23 residues pruned to eliminate duplicates Z: 20 21.301 2.145 0.852 0.453 0.842 0.316 CA 1.533 20 residues pruned to eliminate duplicates Z: 10 11.664 1.698 0.520 0.868 1.000 0.778 CB 1.101 10 residues pruned to eliminate duplicates Z: 15 11.180 1.869 0.425 0.499 0.857 0.429 CB 1.310 15 residues pruned to eliminate duplicates Z: 25 21.020 2.080 0.505 0.553 0.875 0.583 CA 1.488 25 residues pruned to eliminate duplicates Z: 23 18.222 1.944 0.841 0.582 0.909 0.591 CB 1.104 23 residues pruned to eliminate duplicates Z: 14 23.621 2.104 1.017 0.935 0.846 0.846 CB 1.271 14 residues pruned to eliminate duplicates Z: 19 25.906 2.107 0.670 0.646 0.944 0.667 CA 1.603 19 residues pruned to eliminate duplicates Z: 18 15.394 1.874 0.459 0.715 0.941 0.647 CB 1.194 18 residues pruned to eliminate duplicates Z: 11 5.887 1.574 0.696 0.531 0.700 0.700 CB 0.966 17 residues pruned to eliminate duplicates Z: 31 15.075 1.923 0.500 0.388 0.767 0.467 CB 1.402 31 residues pruned to eliminate duplicates Z: 61 36.661 2.074 0.611 0.666 0.900 0.617 CB 1.350 61 residues pruned to eliminate duplicates Z: 18 12.348 1.949 0.438 0.482 0.765 0.647 CB 1.424 18 residues pruned to eliminate duplicates Z: 15 19.107 1.995 0.650 0.814 0.929 0.571 CB 1.271 15 residues pruned to eliminate duplicates Z: 9 7.257 1.429 0.923 0.715 0.875 0.375 CB 0.878 9 residues pruned to eliminate duplicates Z: 67 39.608 2.103 0.826 0.558 0.894 0.576 CB 1.342 51 residues pruned to eliminate duplicates Z: 15 13.034 1.717 0.446 0.782 0.929 0.714 CB 1.178 15 residues pruned to eliminate duplicates Z: 13 20.956 1.863 0.698 0.851 1.000 0.750 CB 1.415 13 residues pruned to eliminate duplicates Z: 133 62.091 2.182 0.739 0.567 0.917 0.576 CB 1.457 133 residues pruned to eliminate duplicates Z: 16 31.885 2.047 0.955 0.860 1.000 0.600 CB 1.513 16 residues pruned to eliminate duplicates Z: 26 22.423 2.108 0.673 0.434 0.880 0.520 CB 1.548 26 residues pruned to eliminate duplicates Z: 13 22.557 1.830 0.745 0.933 1.000 0.833 CB 1.424 13 residues pruned to eliminate duplicates Z: 10 8.870 1.869 -0.064 0.919 1.000 0.778 CB 1.191 10 residues pruned to eliminate duplicates Z: 16 13.396 1.974 0.339 0.728 0.933 0.867 CB 1.142 16 residues pruned to eliminate duplicates Z: 7 9.361 1.629 0.878 0.722 0.833 0.500 CA 1.227 7 residues pruned to eliminate duplicates Z: 90 48.273 2.108 0.761 0.638 0.910 0.539 CB 1.330 90 residues pruned to eliminate duplicates Z: 57 33.526 2.098 0.780 0.408 0.857 0.571 CB 1.541 57 residues pruned to eliminate duplicates Z: 42 24.638 2.008 0.746 0.519 0.829 0.439 CB 1.298 42 residues pruned to eliminate duplicates Z: 51 28.703 2.071 0.772 0.596 0.820 0.560 CB 1.230 42 residues pruned to eliminate duplicates Z: 14 14.360 2.039 0.414 0.779 0.923 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 9 12.072 1.847 0.413 0.911 1.000 1.000 CB 1.159 9 residues pruned to eliminate duplicates Z: 11 16.184 1.792 0.830 0.827 0.900 0.500 CA 1.307 11 residues pruned to eliminate duplicates Z: 15 22.022 1.902 0.728 0.864 1.000 0.857 CA 1.313 15 residues pruned to eliminate duplicates Z: 13 10.275 1.926 0.344 0.891 1.000 0.917 CB 0.824 13 residues pruned to eliminate duplicates Z: 6 2.697 1.463 0.076 0.296 0.800 0.400 N 1.203 Z: 6 8.553 1.741 0.884 0.615 0.800 0.400 N 1.307 23 residues pruned to eliminate duplicates Z: 9 3.618 1.718 0.040 0.474 0.625 0.500 CB 1.176 6 residues pruned to eliminate duplicates Z: 13 15.971 1.743 0.687 0.749 1.000 0.833 CA 1.255 13 residues pruned to eliminate duplicates Z: 8 6.335 1.854 0.519 0.348 0.857 0.571 CB 1.170 8 residues pruned to eliminate duplicates Z: 12 19.292 1.724 0.780 0.912 1.000 0.818 CA 1.343 13 residues pruned to eliminate duplicates Z: 11 13.429 1.780 0.519 0.838 0.900 0.700 CA 1.304 11 residues pruned to eliminate duplicates Z: 13 16.287 1.825 0.539 0.819 0.917 0.750 CB 1.385 13 residues pruned to eliminate duplicates Z: 32 18.659 1.984 0.661 0.347 0.871 0.516 CB 1.379 32 residues pruned to eliminate duplicates Z: 36 23.959 2.045 0.644 0.559 0.886 0.571 CB 1.284 36 residues pruned to eliminate duplicates Z: 11 13.774 1.664 0.661 0.892 1.000 0.900 CA 1.132 11 residues pruned to eliminate duplicates Z: 13 17.738 1.732 0.996 0.763 1.000 0.417 CB 1.172 13 residues pruned to eliminate duplicates Z: 7 9.125 1.760 1.086 0.646 0.667 0.333 CA 1.328 7 residues pruned to eliminate duplicates Z: 25 18.135 1.862 0.618 0.560 0.833 0.625 CB 1.391 25 residues pruned to eliminate duplicates Z: 8 3.490 1.585 0.139 0.366 0.857 0.714 CB 0.985 Z: 11 12.148 1.675 0.589 0.857 1.000 0.700 CA 1.064 11 residues pruned to eliminate duplicates Z: 15 22.699 2.104 1.073 0.892 1.000 0.500 CB 0.999 15 residues pruned to eliminate duplicates Z: 75 51.926 2.193 0.774 0.689 0.892 0.608 CB 1.464 75 residues pruned to eliminate duplicates Z: 13 6.710 1.624 0.335 0.434 0.750 0.333 C 1.276 Z: 8 3.539 1.666 0.662 0.371 0.571 0.286 CB 0.971 8 residues pruned to eliminate duplicates Z: 9 12.915 1.842 0.502 0.889 0.875 0.625 CB 1.358 9 residues pruned to eliminate duplicates Z: 13 12.013 1.607 0.626 0.842 0.917 0.583 CA 1.079 13 residues pruned to eliminate duplicates Z: 7 2.432 1.491 0.327 0.404 0.667 0.667 O 0.833 14 residues pruned to eliminate duplicates Z: 21 20.924 1.964 0.874 0.578 0.850 0.700 CB 1.387 21 residues pruned to eliminate duplicates Z: 20 14.632 1.673 0.710 0.532 1.000 0.684 CB 1.137 17 residues pruned to eliminate duplicates Z: 29 27.395 2.055 0.781 0.443 0.929 0.500 CB 1.615 29 residues pruned to eliminate duplicates Z: 13 12.859 2.031 0.307 0.599 0.917 0.583 CA 1.388 13 residues pruned to eliminate duplicates 6 1.658 1.275 0.533 0.404 0.600 0.400 N 0.699 ? Z: 7 5.403 1.569 0.597 0.783 0.667 0.500 N 1.029 Z: 13 10.335 1.597 0.444 0.828 0.833 0.583 CA 1.169 13 residues pruned to eliminate duplicates Z: 112 58.405 2.150 0.724 0.592 0.928 0.523 CB 1.476 112 residues pruned to eliminate duplicates Z: 11 5.003 1.660 0.132 0.527 1.000 0.600 CB 0.820 11 residues pruned to eliminate duplicates Z: 7 5.395 1.649 0.407 0.822 1.000 0.333 CA 0.718 7 residues pruned to eliminate duplicates 9 1.999 1.406 0.677 0.359 0.625 0.375 CB 0.558 ? Z: 57 40.623 2.074 0.848 0.547 0.893 0.643 CB 1.515 57 residues pruned to eliminate duplicates Z: 17 12.536 1.767 0.813 0.529 0.875 0.562 CB 1.087 17 residues pruned to eliminate duplicates Z: 9 5.126 1.422 0.378 0.724 0.750 0.500 CB 1.008 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 23 22.934 2.076 0.658 0.503 0.909 0.545 CA 1.557 23 residues pruned to eliminate duplicates Z: 9 10.865 1.798 1.001 0.541 0.875 0.625 CA 1.172 9 residues pruned to eliminate duplicates Z: 22 21.419 2.009 0.847 0.503 0.905 0.714 CA 1.387 22 residues pruned to eliminate duplicates Z: 21 19.311 2.083 0.665 0.560 0.800 0.700 CB 1.468 21 residues pruned to eliminate duplicates Z: 24 24.515 2.049 0.872 0.554 0.913 0.609 CB 1.385 24 residues pruned to eliminate duplicates Z: 25 18.800 2.088 0.549 0.487 0.833 0.583 CB 1.444 26 residues pruned to eliminate duplicates Z: 14 14.412 1.915 0.630 0.681 0.846 0.538 CA 1.282 14 residues pruned to eliminate duplicates Z: 27 21.784 2.094 0.564 0.494 0.885 0.692 CB 1.483 27 residues pruned to eliminate duplicates Z: 18 17.493 2.032 0.443 0.515 1.000 0.824 CA 1.426 18 residues pruned to eliminate duplicates Z: 22 26.548 2.150 0.682 0.551 0.952 0.810 CA 1.600 22 residues pruned to eliminate duplicates Z: 42 22.862 1.940 0.627 0.435 0.927 0.512 CB 1.306 42 residues pruned to eliminate duplicates Z: 21 22.426 2.112 0.747 0.557 0.900 0.700 CA 1.429 21 residues pruned to eliminate duplicates Z: 23 24.234 2.114 0.715 0.548 0.909 0.682 CA 1.496 23 residues pruned to eliminate duplicates Z: 21 23.652 2.062 0.764 0.546 0.950 0.750 CA 1.463 21 residues pruned to eliminate duplicates Z: 42 30.824 2.110 0.437 0.597 0.951 0.634 CB 1.521 42 residues pruned to eliminate duplicates Z: 24 18.297 2.095 0.361 0.517 0.913 0.609 CA 1.440 24 residues pruned to eliminate duplicates Z: 25 23.090 2.089 0.565 0.529 0.958 0.667 CA 1.462 25 residues pruned to eliminate duplicates Z: 51 32.475 2.055 0.560 0.557 0.940 0.580 CB 1.442 51 residues pruned to eliminate duplicates Z: 54 33.877 2.038 0.591 0.583 0.906 0.604 CA 1.464 54 residues pruned to eliminate duplicates Z: 60 31.266 2.013 0.578 0.538 0.881 0.576 CB 1.401 60 residues pruned to eliminate duplicates Z: 34 26.917 1.984 0.663 0.595 0.879 0.576 CB 1.475 34 residues pruned to eliminate duplicates Z: 24 25.440 2.083 0.652 0.555 0.957 0.652 CA 1.529 24 residues pruned to eliminate duplicates Z: 23 23.327 2.132 0.545 0.517 0.909 0.636 CB 1.633 23 residues pruned to eliminate duplicates Z: 23 21.697 2.076 0.599 0.553 0.864 0.545 CB 1.532 23 residues pruned to eliminate duplicates Z: 52 32.487 2.067 0.607 0.503 0.902 0.569 CA 1.514 52 residues pruned to eliminate duplicates Z: 33 31.430 2.036 0.661 0.582 0.969 0.656 CB 1.568 33 residues pruned to eliminate duplicates Z: 32 31.338 2.059 0.657 0.628 0.935 0.677 CB 1.563 32 residues pruned to eliminate duplicates Z: 20 24.021 2.104 0.739 0.559 0.895 0.368 CA 1.590 20 residues pruned to eliminate duplicates Z: 31 31.816 2.044 0.772 0.589 0.933 0.533 CB 1.578 31 residues pruned to eliminate duplicates Z: 33 29.138 2.008 0.687 0.598 0.906 0.562 CA 1.528 33 residues pruned to eliminate duplicates Z: 21 25.241 2.116 0.710 0.565 0.900 0.700 CB 1.628 21 residues pruned to eliminate duplicates Z: 29 27.353 2.102 0.598 0.569 0.893 0.607 CA 1.613 29 residues pruned to eliminate duplicates Z: 40 29.317 1.981 0.705 0.561 0.897 0.513 CB 1.460 40 residues pruned to eliminate duplicates Z: 32 34.078 2.067 0.743 0.628 0.968 0.645 CB 1.556 32 residues pruned to eliminate duplicates Z: 55 32.451 2.021 0.565 0.557 0.889 0.537 CB 1.486 55 residues pruned to eliminate duplicates Z: 33 29.959 2.006 0.628 0.615 0.969 0.594 CA 1.500 33 residues pruned to eliminate duplicates Z: 22 27.427 2.137 0.716 0.563 0.952 0.571 CA 1.612 22 residues pruned to eliminate duplicates Z: 23 26.834 2.078 0.733 0.540 0.955 0.545 CA 1.600 23 residues pruned to eliminate duplicates Z: 21 25.812 2.101 0.792 0.566 0.900 0.700 CB 1.598 21 residues pruned to eliminate duplicates Z: 33 28.527 2.007 0.593 0.634 0.938 0.688 CA 1.483 33 residues pruned to eliminate duplicates Z: 21 14.124 1.828 0.257 0.597 0.900 0.700 CB 1.392 21 residues pruned to eliminate duplicates Z: 29 31.335 2.122 0.724 0.557 0.964 0.607 CA 1.588 29 residues pruned to eliminate duplicates Z: 34 29.385 2.009 0.641 0.572 0.970 0.636 CB 1.492 34 residues pruned to eliminate duplicates Z: 34 31.239 2.014 0.736 0.596 0.939 0.485 CB 1.511 34 residues pruned to eliminate duplicates Z: 32 27.875 2.041 0.698 0.519 0.935 0.516 CB 1.515 32 residues pruned to eliminate duplicates Z: 34 28.828 1.991 0.731 0.564 0.970 0.606 CB 1.411 34 residues pruned to eliminate duplicates Z: 33 30.152 2.031 0.674 0.586 0.938 0.625 CB 1.541 33 residues pruned to eliminate duplicates Z: 30 27.263 2.077 0.616 0.535 0.931 0.690 CA 1.565 30 residues pruned to eliminate duplicates Z: 33 28.965 2.038 0.743 0.593 0.875 0.656 CB 1.508 33 residues pruned to eliminate duplicates Z: 11 16.278 1.828 0.561 0.915 0.900 0.900 CB 1.416 11 residues pruned to eliminate duplicates Z: 33 31.799 2.033 0.721 0.632 0.938 0.594 CB 1.514 33 residues pruned to eliminate duplicates Z: 13 17.829 1.661 0.775 0.917 1.000 0.917 CB 1.232 12 residues pruned to eliminate duplicates Z: 8 8.819 1.662 0.869 0.552 0.857 0.714 CB 1.190 8 residues pruned to eliminate duplicates Z: 70 57.405 2.217 0.868 0.687 0.957 0.696 CB 1.470 70 residues pruned to eliminate duplicates Z: 22 32.619 2.162 0.934 0.615 0.952 0.762 CB 1.603 22 residues pruned to eliminate duplicates Z: 73 55.005 2.199 0.841 0.666 0.917 0.653 CB 1.498 73 residues pruned to eliminate duplicates Z: 80 46.755 2.154 0.631 0.650 0.924 0.633 CB 1.409 80 residues pruned to eliminate duplicates Z: 66 44.133 2.169 0.705 0.657 0.877 0.615 CB 1.459 66 residues pruned to eliminate duplicates Z: 65 56.629 2.246 0.858 0.665 0.938 0.578 CB 1.553 65 residues pruned to eliminate duplicates Z: 127 59.693 2.190 0.682 0.547 0.921 0.595 CB 1.497 127 residues pruned to eliminate duplicates Z: 81 57.498 2.199 0.803 0.685 0.925 0.650 CB 1.479 81 residues pruned to eliminate duplicates Z: 23 25.688 2.184 0.764 0.561 0.909 0.636 CA 1.474 23 residues pruned to eliminate duplicates Z: 16 22.949 2.301 0.937 0.496 0.933 0.667 CA 1.429 16 residues pruned to eliminate duplicates Z: 74 53.454 2.224 0.730 0.683 0.932 0.616 CB 1.475 74 residues pruned to eliminate duplicates Z: 18 19.409 2.108 0.779 0.513 0.882 0.765 CA 1.405 18 residues pruned to eliminate duplicates Z: 38 35.500 2.153 0.559 0.624 0.919 0.514 CB 1.684 38 residues pruned to eliminate duplicates Z: 83 54.465 2.181 0.815 0.684 0.902 0.646 CB 1.422 88 residues pruned to eliminate duplicates Z: 13 19.432 1.930 1.071 0.794 0.917 0.750 CA 1.183 13 residues pruned to eliminate duplicates Z: 132 62.671 2.188 0.798 0.564 0.885 0.588 CB 1.477 132 residues pruned to eliminate duplicates Z: 29 36.680 2.244 0.978 0.565 0.964 0.571 CA 1.521 29 residues pruned to eliminate duplicates Z: 14 22.636 2.152 0.819 0.728 1.000 0.692 CA 1.306 14 residues pruned to eliminate duplicates Z: 82 54.120 2.172 0.792 0.656 0.951 0.593 CB 1.406 82 residues pruned to eliminate duplicates Z: 82 57.594 2.179 0.772 0.684 0.963 0.642 CB 1.453 82 residues pruned to eliminate duplicates Z: 82 58.497 2.195 0.744 0.673 0.975 0.617 CB 1.483 82 residues pruned to eliminate duplicates Z: 82 55.284 2.200 0.715 0.665 0.938 0.667 CB 1.490 82 residues pruned to eliminate duplicates Z: 81 47.043 2.134 0.762 0.612 0.913 0.538 CB 1.379 81 residues pruned to eliminate duplicates Z: 103 59.458 2.166 0.846 0.617 0.922 0.608 CB 1.431 91 residues pruned to eliminate duplicates Z: 14 31.341 2.288 0.720 0.873 0.923 0.769 CA 1.743 14 residues pruned to eliminate duplicates Z: 84 56.149 2.167 0.775 0.661 0.952 0.651 CB 1.450 84 residues pruned to eliminate duplicates Z: 81 54.856 2.203 0.815 0.682 0.887 0.675 CB 1.462 81 residues pruned to eliminate duplicates Z: 124 63.769 2.182 0.806 0.585 0.927 0.626 CB 1.451 102 residues pruned to eliminate duplicates Z: 14 27.322 2.266 0.589 0.850 0.846 0.615 CA 1.842 14 residues pruned to eliminate duplicates Z: 82 58.857 2.195 0.832 0.676 0.951 0.654 CB 1.454 82 residues pruned to eliminate duplicates Z: 99 54.901 2.145 0.753 0.646 0.929 0.622 CB 1.386 99 residues pruned to eliminate duplicates Z: 74 57.955 2.224 0.850 0.681 0.959 0.603 CB 1.455 74 residues pruned to eliminate duplicates Z: 83 55.946 2.174 0.794 0.668 0.939 0.646 CB 1.444 83 residues pruned to eliminate duplicates Z: 83 49.984 2.157 0.741 0.662 0.902 0.598 CB 1.402 83 residues pruned to eliminate duplicates Z: 70 56.321 2.227 0.835 0.686 0.942 0.638 CB 1.486 70 residues pruned to eliminate duplicates Z: 74 52.688 2.223 0.764 0.677 0.932 0.658 CB 1.435 74 residues pruned to eliminate duplicates Z: 60 49.106 2.201 0.849 0.633 0.915 0.627 CB 1.515 60 residues pruned to eliminate duplicates Z: 73 54.311 2.217 0.892 0.688 0.875 0.625 CB 1.469 73 residues pruned to eliminate duplicates Z: 13 19.231 2.226 0.798 0.911 1.000 0.833 CB 0.983 13 residues pruned to eliminate duplicates Z: 84 52.899 2.182 0.691 0.658 0.928 0.602 CB 1.465 84 residues pruned to eliminate duplicates Z: 38 30.223 2.143 0.733 0.679 0.892 0.595 CB 1.272 38 residues pruned to eliminate duplicates Z: 114 56.874 2.187 0.776 0.563 0.894 0.540 CB 1.450 118 residues pruned to eliminate duplicates Z: 15 18.966 2.065 1.211 0.909 0.857 0.429 CB 0.919 15 residues pruned to eliminate duplicates Z: 133 67.078 2.201 0.802 0.561 0.932 0.644 CB 1.488 133 residues pruned to eliminate duplicates Z: 81 58.758 2.200 0.812 0.688 0.950 0.663 CB 1.461 81 residues pruned to eliminate duplicates Z: 81 57.785 2.201 0.798 0.677 0.938 0.575 CB 1.480 81 residues pruned to eliminate duplicates Z: 16 19.316 2.054 0.759 0.783 1.000 0.733 CB 1.076 16 residues pruned to eliminate duplicates Z: 64 46.442 2.150 0.777 0.691 0.937 0.683 CB 1.373 64 residues pruned to eliminate duplicates Z: 72 58.042 2.230 0.884 0.661 0.958 0.606 CB 1.475 72 residues pruned to eliminate duplicates Z: 47 36.279 2.106 0.898 0.694 0.891 0.674 CB 1.257 47 residues pruned to eliminate duplicates Z: 134 64.721 2.171 0.862 0.564 0.910 0.571 CB 1.434 132 residues pruned to eliminate duplicates Z: 18 20.794 1.950 0.993 0.816 0.824 0.529 CB 1.198 18 residues pruned to eliminate duplicates Z: 62 47.198 2.186 0.771 0.696 0.934 0.492 CB 1.397 62 residues pruned to eliminate duplicates Z: 103 61.124 2.175 0.930 0.596 0.912 0.598 CB 1.443 103 residues pruned to eliminate duplicates Z: 47 34.948 2.091 0.787 0.683 0.913 0.609 CB 1.276 47 residues pruned to eliminate duplicates Z: 76 54.799 2.218 0.792 0.655 0.947 0.627 CB 1.456 76 residues pruned to eliminate duplicates Z: 61 46.116 2.196 0.697 0.702 0.933 0.717 CB 1.425 61 residues pruned to eliminate duplicates Z: 60 48.869 2.213 0.738 0.714 0.949 0.695 CB 1.436 60 residues pruned to eliminate duplicates Z: 74 57.397 2.199 0.817 0.664 0.973 0.685 CB 1.485 74 residues pruned to eliminate duplicates Z: 96 55.040 2.160 0.720 0.636 0.916 0.632 CB 1.461 96 residues pruned to eliminate duplicates Z: 62 44.966 2.194 0.725 0.696 0.902 0.689 CB 1.411 62 residues pruned to eliminate duplicates Z: 72 55.427 2.211 0.832 0.670 0.930 0.676 CB 1.493 72 residues pruned to eliminate duplicates Z: 64 44.126 2.158 0.729 0.693 0.921 0.667 CB 1.357 64 residues pruned to eliminate duplicates Z: 83 54.253 2.187 0.798 0.676 0.927 0.659 CB 1.399 83 residues pruned to eliminate duplicates Z: 82 59.477 2.202 0.819 0.675 0.975 0.667 CB 1.440 82 residues pruned to eliminate duplicates Z: 134 64.830 2.174 0.753 0.587 0.910 0.677 CB 1.492 134 residues pruned to eliminate duplicates Z: 10 9.648 2.034 0.200 0.795 0.889 0.778 CB 1.144 10 residues pruned to eliminate duplicates Z: 61 47.129 2.206 0.686 0.710 0.950 0.650 CB 1.423 61 residues pruned to eliminate duplicates Z: 81 56.942 2.198 0.760 0.685 0.938 0.725 CB 1.481 81 residues pruned to eliminate duplicates Z: 81 56.495 2.196 0.792 0.682 0.925 0.650 CB 1.468 81 residues pruned to eliminate duplicates Z: 73 52.637 2.234 0.701 0.692 0.931 0.736 CB 1.473 73 residues pruned to eliminate duplicates Z: 18 12.663 1.915 0.573 0.574 0.824 0.647 CB 1.153 18 residues pruned to eliminate duplicates Z: 17 12.628 1.969 0.339 0.596 0.875 0.500 CB 1.249 17 residues pruned to eliminate duplicates Z: 101 52.729 2.135 0.744 0.596 0.920 0.560 CB 1.405 101 residues pruned to eliminate duplicates Z: 100 50.723 2.154 0.786 0.543 0.909 0.596 CB 1.397 100 residues pruned to eliminate duplicates Z: 71 37.282 2.120 0.771 0.460 0.886 0.557 CB 1.396 71 residues pruned to eliminate duplicates Z: 36 24.864 2.072 0.648 0.579 0.886 0.571 CB 1.288 36 residues pruned to eliminate duplicates Z: 62 38.209 2.158 0.701 0.455 0.934 0.541 CB 1.494 62 residues pruned to eliminate duplicates Z: 62 35.765 2.157 0.696 0.436 0.902 0.557 CB 1.484 62 residues pruned to eliminate duplicates Z: 23 21.185 2.099 0.831 0.514 0.864 0.591 CB 1.343 23 residues pruned to eliminate duplicates Z: 40 22.434 2.001 0.678 0.478 0.872 0.538 CB 1.254 40 residues pruned to eliminate duplicates Z: 23 20.992 2.059 0.706 0.470 0.955 0.591 CB 1.376 23 residues pruned to eliminate duplicates Z: 57 32.786 2.117 0.838 0.408 0.857 0.500 CB 1.445 57 residues pruned to eliminate duplicates Z: 60 32.790 2.147 0.774 0.383 0.864 0.508 CB 1.469 60 residues pruned to eliminate duplicates Z: 56 34.740 2.133 0.815 0.400 0.909 0.527 CB 1.479 56 residues pruned to eliminate duplicates Z: 50 29.772 2.105 0.767 0.335 0.857 0.469 CB 1.597 50 residues pruned to eliminate duplicates Z: 57 34.021 2.126 0.761 0.370 0.911 0.536 CB 1.532 55 residues pruned to eliminate duplicates Z: 13 16.450 1.889 0.630 0.716 1.000 0.750 CA 1.269 13 residues pruned to eliminate duplicates Z: 61 39.902 2.190 0.796 0.445 0.883 0.517 CB 1.569 61 residues pruned to eliminate duplicates Z: 55 36.215 2.174 0.829 0.415 0.870 0.519 CB 1.556 55 residues pruned to eliminate duplicates Z: 69 33.854 2.092 0.787 0.385 0.882 0.574 CB 1.407 69 residues pruned to eliminate duplicates Z: 47 36.924 2.130 0.957 0.380 0.935 0.522 CB 1.588 47 residues pruned to eliminate duplicates Z: 53 39.762 2.201 0.833 0.418 0.942 0.538 CB 1.579 53 residues pruned to eliminate duplicates Z: 52 38.370 2.205 0.762 0.411 0.941 0.490 CB 1.613 52 residues pruned to eliminate duplicates Z: 53 38.018 2.190 0.877 0.417 0.885 0.558 CB 1.581 53 residues pruned to eliminate duplicates Z: 58 34.015 2.159 0.732 0.388 0.877 0.526 CB 1.546 58 residues pruned to eliminate duplicates Z: 61 42.368 2.171 0.828 0.468 0.933 0.567 CB 1.527 66 residues pruned to eliminate duplicates Z: 9 8.792 1.881 0.670 0.401 0.875 0.625 CA 1.256 9 residues pruned to eliminate duplicates Z: 51 37.089 2.223 0.800 0.412 0.900 0.600 CB 1.598 51 residues pruned to eliminate duplicates Z: 32 29.134 2.199 0.944 0.373 0.871 0.452 CB 1.610 32 residues pruned to eliminate duplicates Z: 69 38.767 2.128 0.799 0.424 0.912 0.515 CB 1.458 69 residues pruned to eliminate duplicates Z: 34 26.753 2.149 0.854 0.368 0.879 0.485 CB 1.533 34 residues pruned to eliminate duplicates Z: 32 28.472 2.202 0.904 0.355 0.871 0.484 CB 1.638 32 residues pruned to eliminate duplicates Z: 115 62.040 2.205 0.706 0.583 0.930 0.579 CB 1.533 115 residues pruned to eliminate duplicates Z: 68 38.273 2.108 0.688 0.442 0.955 0.567 CB 1.461 68 residues pruned to eliminate duplicates Z: 50 33.697 2.159 0.863 0.401 0.878 0.612 CB 1.514 50 residues pruned to eliminate duplicates Z: 62 38.548 2.149 0.720 0.435 0.934 0.557 CB 1.529 62 residues pruned to eliminate duplicates Z: 34 24.695 2.137 0.755 0.382 0.818 0.515 CB 1.588 34 residues pruned to eliminate duplicates Z: 32 29.874 2.217 0.885 0.379 0.871 0.548 CA 1.676 32 residues pruned to eliminate duplicates Z: 132 67.725 2.208 0.788 0.582 0.924 0.573 CB 1.499 132 residues pruned to eliminate duplicates Z: 117 55.633 2.182 0.660 0.561 0.922 0.655 CB 1.457 117 residues pruned to eliminate duplicates Z: 55 34.851 2.153 0.787 0.410 0.852 0.481 CB 1.592 55 residues pruned to eliminate duplicates Z: 57 32.144 2.121 0.766 0.377 0.875 0.518 CB 1.495 57 residues pruned to eliminate duplicates Z: 37 25.227 2.103 0.675 0.360 0.889 0.444 CA 1.562 37 residues pruned to eliminate duplicates Z: 33 30.632 2.202 0.903 0.362 0.969 0.594 CB 1.547 33 residues pruned to eliminate duplicates Z: 55 37.250 2.144 0.892 0.421 0.889 0.537 CB 1.526 55 residues pruned to eliminate duplicates Z: 60 40.740 2.156 0.837 0.454 0.932 0.576 CB 1.506 60 residues pruned to eliminate duplicates Z: 31 30.393 2.252 0.846 0.396 0.900 0.500 CB 1.654 31 residues pruned to eliminate duplicates Z: 6 4.737 1.908 0.106 0.394 0.800 0.400 CA 1.404 6 residues pruned to eliminate duplicates Z: 56 36.301 2.121 0.786 0.417 0.927 0.582 CB 1.520 52 residues pruned to eliminate duplicates Z: 7 3.776 1.882 0.223 0.320 0.667 0.333 CB 1.225 7 residues pruned to eliminate duplicates Z: 58 39.864 2.179 0.857 0.393 0.930 0.474 CB 1.573 58 residues pruned to eliminate duplicates Z: 33 30.454 2.179 0.879 0.381 0.938 0.594 CB 1.593 33 residues pruned to eliminate duplicates Z: 6 2.172 1.633 0.461 0.127 0.600 0.200 CB 1.083 6 residues pruned to eliminate duplicates Z: 12 25.279 2.204 0.860 0.734 0.909 0.727 CB 1.657 12 residues pruned to eliminate duplicates Z: 15 20.861 2.080 0.938 0.611 0.857 0.571 CB 1.453 13 residues pruned to eliminate duplicates Z: 11 21.999 2.079 0.737 0.859 1.000 0.500 CB 1.418 11 residues pruned to eliminate duplicates Z: 10 16.927 2.166 0.608 0.681 0.889 0.889 CA 1.543 10 residues pruned to eliminate duplicates Z: 13 17.983 2.062 0.719 0.657 0.833 0.667 CB 1.520 13 residues pruned to eliminate duplicates Z: 13 22.626 2.098 0.810 0.687 0.917 0.667 CA 1.581 13 residues pruned to eliminate duplicates Z: 13 24.043 2.105 0.863 0.679 1.000 0.833 CA 1.502 12 residues pruned to eliminate duplicates Z: 12 22.251 2.101 0.847 0.834 0.909 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 14 21.033 2.034 0.793 0.775 0.923 0.692 CA 1.358 15 residues pruned to eliminate duplicates Z: 12 27.884 2.218 0.944 0.821 1.000 0.727 CB 1.476 13 residues pruned to eliminate duplicates Z: 12 26.430 2.219 0.811 0.811 1.000 0.636 CB 1.513 11 residues pruned to eliminate duplicates Z: 12 32.164 2.172 0.982 0.843 1.000 0.455 CA 1.677 12 residues pruned to eliminate duplicates Z: 23 18.910 2.046 0.681 0.437 0.909 0.364 CB 1.377 23 residues pruned to eliminate duplicates Z: 25 19.176 2.036 0.714 0.502 0.958 0.458 CB 1.168 25 residues pruned to eliminate duplicates Z: 15 19.929 2.124 0.953 0.607 0.929 0.429 CB 1.249 15 residues pruned to eliminate duplicates Z: 24 16.212 2.060 0.683 0.488 0.870 0.522 CB 1.135 24 residues pruned to eliminate duplicates Z: 13 24.840 2.159 1.067 0.672 0.917 0.667 CB 1.496 15 residues pruned to eliminate duplicates Z: 11 18.898 2.087 1.093 0.803 0.800 0.700 CA 1.312 11 residues pruned to eliminate duplicates Z: 20 21.724 2.080 0.899 0.537 0.895 0.526 CB 1.360 20 residues pruned to eliminate duplicates Z: 37 23.553 1.948 0.737 0.497 0.944 0.500 CB 1.232 60 residues pruned to eliminate duplicates Z: 25 18.668 1.965 0.746 0.453 0.917 0.542 CB 1.270 25 residues pruned to eliminate duplicates Z: 17 19.937 2.014 1.014 0.530 0.938 0.500 CB 1.273 17 residues pruned to eliminate duplicates Z: 26 20.122 2.004 0.815 0.496 0.920 0.520 CB 1.207 26 residues pruned to eliminate duplicates Z: 37 25.279 1.968 0.896 0.524 0.833 0.667 CB 1.324 37 residues pruned to eliminate duplicates Z: 36 19.983 1.854 0.757 0.484 0.829 0.514 CB 1.271 36 residues pruned to eliminate duplicates Z: 37 28.366 1.941 0.922 0.556 0.889 0.639 CB 1.350 37 residues pruned to eliminate duplicates Z: 38 24.983 1.958 0.848 0.560 0.892 0.459 CB 1.201 38 residues pruned to eliminate duplicates Z: 37 32.137 2.139 0.751 0.616 0.917 0.583 CB 1.399 37 residues pruned to eliminate duplicates Z: 22 21.436 2.167 0.919 0.478 0.857 0.571 CA 1.341 22 residues pruned to eliminate duplicates Z: 22 23.371 2.148 0.944 0.547 0.905 0.667 CA 1.289 22 residues pruned to eliminate duplicates Z: 43 33.509 2.140 0.831 0.546 0.905 0.500 CB 1.395 43 residues pruned to eliminate duplicates Z: 23 20.777 2.132 0.730 0.508 0.909 0.636 CA 1.310 23 residues pruned to eliminate duplicates Z: 125 61.115 2.125 0.810 0.590 0.919 0.573 CB 1.424 125 residues pruned to eliminate duplicates Z: 17 15.668 2.118 0.729 0.454 0.875 0.500 CA 1.282 17 residues pruned to eliminate duplicates Z: 38 28.792 2.082 0.860 0.467 0.919 0.541 CB 1.375 38 residues pruned to eliminate duplicates Z: 104 59.045 2.132 0.831 0.654 0.893 0.573 CB 1.445 104 residues pruned to eliminate duplicates Z: 23 21.603 2.097 0.938 0.508 0.864 0.636 CA 1.302 23 residues pruned to eliminate duplicates Z: 66 46.770 2.156 0.768 0.669 0.892 0.569 CB 1.459 66 residues pruned to eliminate duplicates Z: 60 45.848 2.183 0.900 0.677 0.881 0.525 CB 1.388 60 residues pruned to eliminate duplicates Z: 16 21.792 2.264 0.812 0.497 0.933 0.667 CA 1.474 16 residues pruned to eliminate duplicates Z: 118 60.862 2.136 0.828 0.591 0.897 0.573 CB 1.471 118 residues pruned to eliminate duplicates Z: 61 54.350 2.194 0.912 0.684 0.967 0.533 CB 1.462 61 residues pruned to eliminate duplicates Z: 17 29.380 2.289 0.906 0.559 1.000 0.688 CB 1.589 17 residues pruned to eliminate duplicates Z: 60 46.204 2.202 0.754 0.691 0.898 0.593 CB 1.455 60 residues pruned to eliminate duplicates Z: 144 62.737 2.116 0.855 0.570 0.888 0.517 CB 1.406 144 residues pruned to eliminate duplicates Z: 60 46.448 2.177 0.749 0.681 0.949 0.661 CB 1.417 60 residues pruned to eliminate duplicates Z: 49 38.724 2.118 0.896 0.681 0.917 0.625 CB 1.285 49 residues pruned to eliminate duplicates Z: 34 19.937 2.016 0.574 0.488 0.909 0.576 CB 1.219 34 residues pruned to eliminate duplicates Z: 109 59.100 2.131 0.919 0.589 0.880 0.657 CB 1.453 109 residues pruned to eliminate duplicates Z: 37 23.239 2.077 0.674 0.537 0.833 0.472 CB 1.290 37 residues pruned to eliminate duplicates Z: 47 35.941 2.142 0.693 0.719 0.913 0.543 CB 1.313 47 residues pruned to eliminate duplicates Z: 26 20.660 2.071 0.666 0.605 0.880 0.640 CA 1.232 26 residues pruned to eliminate duplicates Z: 77 49.169 2.090 0.861 0.656 0.921 0.684 CB 1.362 77 residues pruned to eliminate duplicates Z: 62 36.447 1.990 0.872 0.586 0.885 0.607 CB 1.303 62 residues pruned to eliminate duplicates Z: 58 44.481 2.157 0.919 0.662 0.895 0.544 CB 1.368 58 residues pruned to eliminate duplicates Z: 95 56.622 2.127 0.799 0.642 0.915 0.521 CB 1.461 95 residues pruned to eliminate duplicates Z: 49 32.934 2.112 0.738 0.681 0.833 0.562 CB 1.317 49 residues pruned to eliminate duplicates Z: 109 61.615 2.129 0.893 0.590 0.917 0.611 CB 1.472 109 residues pruned to eliminate duplicates Z: 47 42.266 2.172 0.827 0.722 0.913 0.652 CB 1.407 47 residues pruned to eliminate duplicates Z: 47 45.326 2.162 0.959 0.753 0.935 0.630 CB 1.347 47 residues pruned to eliminate duplicates Z: 35 33.271 2.148 0.727 0.667 0.941 0.706 CB 1.401 35 residues pruned to eliminate duplicates Z: 109 61.373 2.128 0.833 0.607 0.935 0.648 CB 1.463 109 residues pruned to eliminate duplicates Z: 109 60.402 2.134 0.784 0.614 0.935 0.648 CB 1.465 109 residues pruned to eliminate duplicates Z: 93 58.978 2.146 0.882 0.566 0.935 0.576 CB 1.528 93 residues pruned to eliminate duplicates Z: 94 54.395 2.123 0.806 0.578 0.925 0.624 CB 1.475 94 residues pruned to eliminate duplicates Z: 72 48.504 2.094 0.815 0.627 0.901 0.606 CB 1.491 72 residues pruned to eliminate duplicates Z: 93 55.585 2.109 0.804 0.590 0.957 0.609 CB 1.461 93 residues pruned to eliminate duplicates Z: 38 34.533 2.100 0.684 0.702 0.946 0.730 CA 1.412 38 residues pruned to eliminate duplicates Z: 84 57.821 2.137 0.825 0.682 0.928 0.614 CB 1.484 84 residues pruned to eliminate duplicates Z: 108 58.917 2.144 0.843 0.609 0.888 0.579 CB 1.464 108 residues pruned to eliminate duplicates Z: 109 57.136 2.110 0.823 0.581 0.907 0.620 CB 1.457 109 residues pruned to eliminate duplicates Z: 109 60.584 2.112 0.931 0.600 0.935 0.509 CB 1.390 109 residues pruned to eliminate duplicates Z: 85 52.999 2.107 0.801 0.684 0.917 0.702 CB 1.403 85 residues pruned to eliminate duplicates Z: 85 55.144 2.118 0.848 0.657 0.929 0.643 CB 1.432 85 residues pruned to eliminate duplicates Z: 96 48.106 2.058 0.795 0.546 0.884 0.632 CB 1.444 96 residues pruned to eliminate duplicates Z: 53 39.202 2.116 0.843 0.470 0.942 0.519 CB 1.525 53 residues pruned to eliminate duplicates Z: 34 30.113 2.067 0.693 0.605 0.909 0.576 CB 1.492 34 residues pruned to eliminate duplicates Z: 92 52.098 2.091 0.864 0.585 0.890 0.604 CB 1.451 92 residues pruned to eliminate duplicates Z: 90 53.071 2.098 0.810 0.554 0.955 0.573 CB 1.471 90 residues pruned to eliminate duplicates Z: 109 57.269 2.140 0.781 0.590 0.898 0.611 CB 1.477 109 residues pruned to eliminate duplicates Z: 94 56.704 2.131 0.881 0.574 0.914 0.527 CB 1.494 94 residues pruned to eliminate duplicates Z: 60 39.687 2.094 0.809 0.486 0.898 0.576 CB 1.541 60 residues pruned to eliminate duplicates Z: 37 32.644 2.026 0.787 0.578 0.944 0.583 CB 1.477 37 residues pruned to eliminate duplicates Z: 113 54.243 2.111 0.805 0.567 0.884 0.545 CB 1.426 113 residues pruned to eliminate duplicates Z: 107 59.057 2.129 0.815 0.602 0.934 0.623 CB 1.442 107 residues pruned to eliminate duplicates Z: 31 28.067 2.048 0.601 0.591 0.933 0.433 CB 1.534 31 residues pruned to eliminate duplicates Z: 86 52.767 2.097 0.792 0.659 0.929 0.600 CB 1.414 86 residues pruned to eliminate duplicates Z: 118 65.737 2.142 0.919 0.599 0.906 0.607 CB 1.486 118 residues pruned to eliminate duplicates Z: 85 50.589 2.110 0.786 0.560 0.905 0.536 CB 1.527 85 residues pruned to eliminate duplicates Z: 84 55.993 2.121 0.893 0.695 0.892 0.578 CB 1.436 84 residues pruned to eliminate duplicates Z: 22 24.553 2.148 0.778 0.593 0.857 0.619 CB 1.497 22 residues pruned to eliminate duplicates Z: 58 39.324 2.110 0.712 0.495 0.930 0.596 CB 1.559 58 residues pruned to eliminate duplicates Z: 109 58.477 2.126 0.858 0.594 0.880 0.565 CB 1.479 109 residues pruned to eliminate duplicates Z: 108 61.102 2.144 0.859 0.626 0.888 0.645 CB 1.483 108 residues pruned to eliminate duplicates Z: 97 57.442 2.130 0.803 0.674 0.917 0.625 CB 1.418 97 residues pruned to eliminate duplicates Z: 109 62.100 2.127 0.824 0.610 0.917 0.593 CB 1.514 109 residues pruned to eliminate duplicates Z: 95 55.512 2.115 0.873 0.573 0.904 0.585 CB 1.490 95 residues pruned to eliminate duplicates Z: 58 41.768 2.111 0.827 0.494 0.930 0.596 CB 1.553 58 residues pruned to eliminate duplicates Z: 108 61.490 2.115 0.835 0.609 0.935 0.617 CB 1.478 108 residues pruned to eliminate duplicates Z: 109 62.327 2.130 0.874 0.611 0.917 0.611 CB 1.475 109 residues pruned to eliminate duplicates Z: 30 32.778 2.170 0.932 0.456 0.931 0.517 CB 1.631 30 residues pruned to eliminate duplicates Z: 95 59.897 2.124 0.831 0.599 0.947 0.606 CB 1.527 95 residues pruned to eliminate duplicates Z: 58 41.671 2.078 0.806 0.539 0.947 0.579 CB 1.495 58 residues pruned to eliminate duplicates Z: 109 60.414 2.116 0.864 0.582 0.907 0.583 CB 1.502 109 residues pruned to eliminate duplicates Z: 59 40.889 2.089 0.726 0.510 0.931 0.552 CB 1.583 59 residues pruned to eliminate duplicates Z: 57 43.503 2.114 0.783 0.545 0.964 0.607 CB 1.531 57 residues pruned to eliminate duplicates Z: 57 40.784 2.116 0.815 0.492 0.929 0.607 CB 1.541 57 residues pruned to eliminate duplicates Z: 92 53.600 2.134 0.759 0.577 0.923 0.626 CB 1.506 92 residues pruned to eliminate duplicates Z: 49 33.144 2.098 0.752 0.438 0.896 0.583 CB 1.549 49 residues pruned to eliminate duplicates Z: 93 59.711 2.137 0.854 0.588 0.946 0.576 CB 1.527 93 residues pruned to eliminate duplicates Z: 95 58.909 2.110 0.887 0.584 0.926 0.638 CB 1.521 95 residues pruned to eliminate duplicates Z: 93 58.199 2.131 0.872 0.592 0.924 0.598 CB 1.508 93 residues pruned to eliminate duplicates Z: 91 59.369 2.141 0.838 0.594 0.944 0.644 CB 1.539 91 residues pruned to eliminate duplicates Z: 57 40.681 2.125 0.763 0.489 0.946 0.589 CB 1.550 57 residues pruned to eliminate duplicates Z: 95 55.007 2.099 0.794 0.572 0.947 0.660 CB 1.484 95 residues pruned to eliminate duplicates Z: 109 62.145 2.132 0.850 0.614 0.935 0.620 CB 1.454 109 residues pruned to eliminate duplicates Z: 80 49.427 2.099 0.766 0.555 0.924 0.608 CB 1.539 80 residues pruned to eliminate duplicates Z: 141 63.343 2.120 0.830 0.565 0.893 0.514 CB 1.452 141 residues pruned to eliminate duplicates Z: 108 60.753 2.127 0.816 0.583 0.944 0.626 CB 1.487 108 residues pruned to eliminate duplicates Z: 56 45.611 2.148 0.856 0.551 0.964 0.636 CB 1.523 56 residues pruned to eliminate duplicates Z: 85 51.346 2.098 0.785 0.559 0.940 0.548 CB 1.502 85 residues pruned to eliminate duplicates Z: 56 38.901 2.138 0.801 0.494 0.873 0.527 CB 1.571 56 residues pruned to eliminate duplicates Z: 36 23.393 1.968 0.837 0.343 0.857 0.457 CA 1.514 17 residues pruned to eliminate duplicates Z: 11 11.562 1.900 0.687 0.766 0.900 0.600 CB 1.001 11 residues pruned to eliminate duplicates Z: 22 35.349 2.236 0.906 0.767 0.952 0.571 CB 1.501 22 residues pruned to eliminate duplicates Z: 24 35.547 2.159 0.945 0.754 0.957 0.565 CB 1.471 24 residues pruned to eliminate duplicates Z: 83 49.348 2.091 0.846 0.618 0.915 0.573 CB 1.381 83 residues pruned to eliminate duplicates Z: 53 48.344 2.101 0.960 0.714 0.962 0.596 CB 1.394 53 residues pruned to eliminate duplicates Z: 49 41.585 2.107 0.976 0.693 0.896 0.604 CB 1.349 49 residues pruned to eliminate duplicates Z: 108 56.666 2.123 0.839 0.584 0.888 0.561 CB 1.458 108 residues pruned to eliminate duplicates Z: 59 40.472 2.112 0.934 0.613 0.897 0.500 CB 1.304 59 residues pruned to eliminate duplicates Z: 108 64.784 2.142 0.874 0.617 0.935 0.607 CB 1.495 108 residues pruned to eliminate duplicates Z: 51 46.127 2.131 1.008 0.676 0.920 0.600 CB 1.408 51 residues pruned to eliminate duplicates Z: 50 37.497 2.084 0.810 0.713 0.918 0.531 CB 1.275 50 residues pruned to eliminate duplicates Z: 47 44.628 2.161 0.953 0.721 0.913 0.652 CB 1.399 47 residues pruned to eliminate duplicates Z: 54 37.196 2.064 0.871 0.629 0.830 0.509 CB 1.412 54 residues pruned to eliminate duplicates Z: 105 57.205 2.119 0.899 0.585 0.885 0.644 CB 1.452 105 residues pruned to eliminate duplicates Z: 60 46.622 2.141 0.887 0.669 0.881 0.644 CB 1.459 60 residues pruned to eliminate duplicates 375 residues left after pruning, divided into chains as follows: A: 13 B: 6 C: 55 D: 51 E: 66 F: 17 G: 11 H: 139 I: 17 CC for partial structure against native data = 38.67 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.458, Connect. = 0.692 for dens.mod. cycle 1 = 0.300, Contrast = 0.527, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.626, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.634, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.644, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.648, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.653, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.764 for dens.mod. cycle 8 = 0.300, Contrast = 0.657, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.658, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2448 peaks > 0.5 sigma used to seed fragment search Space for about 606 unique residues taking solvent into account 519 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 25.794 2.165 0.460 0.863 1.000 0.786 CA 1.601 B: 14 29.445 2.300 0.588 0.869 0.923 0.615 CA 1.769 15 residues pruned to eliminate duplicates C: 13 28.356 2.373 0.361 0.931 0.917 0.667 CB 1.933 13 residues pruned to eliminate duplicates D: 14 27.394 2.269 0.569 0.875 0.923 0.615 CA 1.683 14 residues pruned to eliminate duplicates E: 14 24.069 2.192 1.071 0.920 0.923 0.846 CB 1.122 F: 14 22.353 2.230 0.575 0.843 0.769 0.538 CB 1.709 14 residues pruned to eliminate duplicates G: 16 20.448 2.007 0.873 0.863 1.000 0.600 CB 1.031 14 residues pruned to eliminate duplicates H: 13 19.375 2.054 0.748 0.831 0.917 0.750 CA 1.277 I: 14 32.555 2.228 0.744 0.919 0.923 0.692 CB 1.774 15 residues pruned to eliminate duplicates J: 14 21.440 2.112 0.431 0.847 0.923 0.769 CA 1.583 14 residues pruned to eliminate duplicates K: 17 23.031 1.894 0.848 0.786 0.938 0.625 CB 1.364 L: 13 32.634 2.305 0.774 0.914 0.917 0.833 CB 1.777 13 residues pruned to eliminate duplicates M: 15 23.744 2.061 0.708 0.866 0.929 0.786 CA 1.421 N: 18 31.462 1.968 1.204 0.857 1.000 0.706 CA 1.297 O: 66 43.441 2.051 0.816 0.663 0.908 0.754 CB 1.371 33 residues pruned to eliminate duplicates P: 17 28.938 1.972 1.060 0.841 0.938 0.688 CA 1.417 17 residues pruned to eliminate duplicates Q: 16 23.404 2.009 0.474 0.882 1.000 0.600 CA 1.477 15 residues pruned to eliminate duplicates R: 13 20.358 1.969 0.812 0.876 0.917 0.750 CA 1.307 S: 17 19.996 1.955 0.874 0.828 0.875 0.250 CB 1.175 17 residues pruned to eliminate duplicates T: 17 27.833 1.951 0.883 0.875 1.000 0.625 CA 1.378 17 residues pruned to eliminate duplicates U: 13 11.746 1.721 0.175 0.848 1.000 0.833 CA 1.244 V: 14 30.834 2.254 0.670 0.896 0.923 0.538 CB 1.764 14 residues pruned to eliminate duplicates W: 61 35.706 2.152 0.695 0.439 0.883 0.483 CB 1.523 X: 57 42.005 2.084 0.953 0.505 0.911 0.536 CB 1.507 Y: 12 17.837 1.971 0.629 0.786 0.909 0.636 CA 1.433 Z: 14 33.410 2.267 0.731 0.895 1.000 0.538 CA 1.692 13 residues pruned to eliminate duplicates Z: 12 13.798 1.717 0.308 0.882 1.000 0.727 CA 1.340 11 residues pruned to eliminate duplicates Z: 9 11.402 2.107 -0.061 0.924 1.000 1.000 CB 1.431 Z: 15 25.201 2.136 0.527 0.856 1.000 0.643 CA 1.524 15 residues pruned to eliminate duplicates Z: 13 17.675 2.120 0.563 0.894 0.917 0.833 CB 1.205 13 residues pruned to eliminate duplicates Z: 12 24.205 1.966 0.896 0.886 1.000 0.636 CA 1.412 17 residues pruned to eliminate duplicates Z: 14 15.588 2.059 0.664 0.726 0.846 0.692 CA 1.216 14 residues pruned to eliminate duplicates Z: 13 18.896 1.888 0.808 0.827 0.917 0.667 CB 1.313 13 residues pruned to eliminate duplicates Z: 18 19.152 1.871 0.634 0.822 0.941 0.765 CB 1.221 17 residues pruned to eliminate duplicates Z: 22 17.967 2.018 0.603 0.552 0.857 0.571 CB 1.344 Z: 13 17.407 2.140 0.586 0.834 0.917 0.750 CB 1.211 13 residues pruned to eliminate duplicates Z: 21 25.622 2.147 0.762 0.547 0.900 0.600 CB 1.607 21 residues pruned to eliminate duplicates Z: 13 13.187 1.865 0.499 0.687 0.917 0.417 CA 1.251 13 residues pruned to eliminate duplicates Z: 11 18.559 1.915 0.593 0.819 1.000 0.900 CB 1.459 11 residues pruned to eliminate duplicates Z: 15 25.599 1.839 0.923 0.909 1.000 0.857 CA 1.373 15 residues pruned to eliminate duplicates Z: 12 16.188 1.992 0.543 0.857 0.909 0.636 CA 1.287 12 residues pruned to eliminate duplicates Z: 12 24.394 2.095 0.710 0.857 1.000 0.727 CA 1.513 Z: 11 15.181 2.037 0.379 0.789 0.900 0.700 CB 1.473 11 residues pruned to eliminate duplicates Z: 8 10.360 1.654 0.646 0.798 1.000 0.857 CB 1.107 8 residues pruned to eliminate duplicates Z: 87 52.449 2.101 0.774 0.672 0.919 0.674 CB 1.410 102 residues pruned to eliminate duplicates Z: 11 12.290 1.830 0.193 0.875 1.000 0.800 CB 1.295 11 residues pruned to eliminate duplicates Z: 11 9.568 1.916 -0.017 0.921 1.000 1.000 CB 1.130 11 residues pruned to eliminate duplicates Z: 14 18.393 1.742 0.637 0.865 1.000 0.923 CA 1.311 14 residues pruned to eliminate duplicates Z: 11 29.238 2.261 1.155 0.834 1.000 0.300 CA 1.423 13 residues pruned to eliminate duplicates Z: 11 14.503 2.072 0.364 0.725 0.900 0.600 CA 1.471 11 residues pruned to eliminate duplicates Z: 11 16.466 2.068 0.461 0.750 1.000 0.600 CA 1.379 11 residues pruned to eliminate duplicates Z: 12 13.792 1.899 0.365 0.815 1.000 0.727 CA 1.221 12 residues pruned to eliminate duplicates Z: 19 18.555 1.796 0.555 0.837 1.000 0.667 CB 1.172 19 residues pruned to eliminate duplicates Z: 25 30.423 2.217 0.761 0.592 0.958 0.667 CB 1.520 13 residues pruned to eliminate duplicates Z: 10 27.194 2.365 0.930 0.883 0.889 0.778 CA 1.616 10 residues pruned to eliminate duplicates Z: 14 27.829 2.247 0.734 0.841 0.846 0.538 CB 1.746 14 residues pruned to eliminate duplicates Z: 61 34.038 2.140 0.707 0.439 0.867 0.567 CB 1.478 62 residues pruned to eliminate duplicates Z: 32 29.225 2.210 0.755 0.381 0.935 0.548 CB 1.642 32 residues pruned to eliminate duplicates Z: 12 24.729 2.031 0.902 0.917 1.000 0.727 CA 1.362 Z: 9 21.614 2.329 0.691 0.891 0.875 0.750 CA 1.594 9 residues pruned to eliminate duplicates Z: 21 27.184 2.170 0.814 0.545 0.950 0.500 CB 1.556 21 residues pruned to eliminate duplicates Z: 13 14.223 1.884 0.443 0.752 0.917 0.333 CA 1.315 13 residues pruned to eliminate duplicates Z: 11 14.876 2.020 0.331 0.793 0.900 0.700 CA 1.504 11 residues pruned to eliminate duplicates Z: 8 4.659 1.638 0.321 0.629 0.857 0.714 CA 0.840 8 residues pruned to eliminate duplicates Z: 9 30.449 2.337 1.003 0.915 1.000 0.750 CB 1.626 11 residues pruned to eliminate duplicates Z: 13 25.252 2.359 0.504 0.921 0.750 0.750 CB 1.927 14 residues pruned to eliminate duplicates Z: 12 13.008 1.798 0.374 0.870 0.909 0.909 CB 1.275 10 residues pruned to eliminate duplicates Z: 14 22.880 2.081 0.954 0.916 0.923 0.846 CB 1.194 14 residues pruned to eliminate duplicates Z: 13 13.848 1.713 0.626 0.676 0.917 0.417 N 1.332 13 residues pruned to eliminate duplicates Z: 12 17.930 2.208 0.505 0.853 0.909 0.455 CA 1.323 12 residues pruned to eliminate duplicates Z: 11 20.470 2.161 0.765 0.847 1.000 0.700 CA 1.259 11 residues pruned to eliminate duplicates Z: 13 19.865 1.980 0.567 0.896 1.000 0.833 CB 1.323 13 residues pruned to eliminate duplicates Z: 14 25.404 2.247 0.484 0.907 0.846 0.615 CB 1.776 14 residues pruned to eliminate duplicates Z: 12 14.604 1.961 0.529 0.803 0.909 0.545 CA 1.239 12 residues pruned to eliminate duplicates Z: 11 21.550 2.105 0.538 0.918 1.000 0.900 CA 1.485 11 residues pruned to eliminate duplicates Z: 10 12.586 2.093 0.955 0.400 0.778 0.667 CA 1.464 10 residues pruned to eliminate duplicates Z: 14 16.425 1.661 0.645 0.869 1.000 0.769 CA 1.218 14 residues pruned to eliminate duplicates Z: 86 54.872 2.114 0.838 0.652 0.929 0.576 CB 1.430 86 residues pruned to eliminate duplicates Z: 9 18.981 2.286 0.394 0.858 1.000 0.750 CA 1.550 9 residues pruned to eliminate duplicates Z: 11 13.416 1.830 0.334 0.848 1.000 0.900 CB 1.289 11 residues pruned to eliminate duplicates Z: 15 31.007 2.159 0.937 0.876 0.857 0.500 CA 1.679 15 residues pruned to eliminate duplicates Z: 12 20.513 2.016 0.850 0.828 0.909 0.727 CA 1.373 12 residues pruned to eliminate duplicates Z: 10 17.079 2.194 0.629 0.903 0.889 0.889 CA 1.277 10 residues pruned to eliminate duplicates Z: 42 28.352 1.975 0.647 0.544 0.927 0.610 CB 1.406 47 residues pruned to eliminate duplicates Z: 119 59.879 2.129 0.745 0.574 0.941 0.576 CB 1.469 119 residues pruned to eliminate duplicates Z: 10 16.453 2.207 0.318 0.881 1.000 0.889 CA 1.366 9 residues pruned to eliminate duplicates Z: 11 21.035 2.214 0.658 0.816 1.000 0.500 CA 1.377 11 residues pruned to eliminate duplicates Z: 15 23.225 2.087 0.768 0.887 0.929 0.714 CA 1.307 15 residues pruned to eliminate duplicates Z: 38 25.513 2.090 0.878 0.379 0.838 0.541 CB 1.452 33 residues pruned to eliminate duplicates Z: 79 46.733 2.128 0.766 0.649 0.885 0.538 CB 1.385 100 residues pruned to eliminate duplicates Z: 58 42.805 2.111 0.870 0.521 0.930 0.561 CB 1.513 61 residues pruned to eliminate duplicates Z: 11 13.342 1.995 0.500 0.893 0.800 0.800 CA 1.266 11 residues pruned to eliminate duplicates Z: 10 27.880 2.122 1.101 0.791 1.000 0.667 CA 1.615 Z: 10 26.740 2.192 0.832 0.922 1.000 0.889 CA 1.561 9 residues pruned to eliminate duplicates Z: 11 13.600 1.989 0.793 0.701 0.700 0.400 CB 1.435 11 residues pruned to eliminate duplicates Z: 11 18.770 2.027 0.614 0.762 1.000 0.700 CA 1.438 11 residues pruned to eliminate duplicates Z: 11 22.101 2.206 0.674 0.851 0.900 0.600 CA 1.556 11 residues pruned to eliminate duplicates Z: 26 21.401 1.806 0.765 0.567 0.920 0.640 CB 1.368 26 residues pruned to eliminate duplicates Z: 13 18.085 2.023 0.564 0.793 0.917 0.667 CB 1.392 12 residues pruned to eliminate duplicates Z: 12 19.920 2.170 0.360 0.818 1.000 0.818 CA 1.543 12 residues pruned to eliminate duplicates Z: 14 13.309 1.810 0.773 0.381 0.923 0.385 CA 1.414 14 residues pruned to eliminate duplicates Z: 10 16.467 1.851 0.706 0.865 1.000 0.889 CA 1.273 Z: 15 34.450 2.169 0.894 0.860 1.000 0.571 CA 1.649 15 residues pruned to eliminate duplicates Z: 14 33.514 2.290 0.649 0.898 1.000 0.615 CA 1.762 14 residues pruned to eliminate duplicates Z: 111 59.072 2.122 0.782 0.584 0.936 0.636 CB 1.466 111 residues pruned to eliminate duplicates Z: 10 8.159 1.809 0.120 0.927 1.000 1.000 CB 0.941 10 residues pruned to eliminate duplicates Z: 14 21.671 2.046 0.719 0.927 1.000 0.692 CB 1.198 14 residues pruned to eliminate duplicates Z: 10 15.631 1.908 0.740 0.919 1.000 1.000 CB 1.106 11 residues pruned to eliminate duplicates Z: 11 11.623 1.962 0.239 0.789 0.900 0.700 CA 1.304 11 residues pruned to eliminate duplicates Z: 68 38.095 2.070 0.678 0.641 0.881 0.597 CB 1.333 68 residues pruned to eliminate duplicates Z: 7 9.420 1.698 0.843 0.819 1.000 0.667 CB 0.932 7 residues pruned to eliminate duplicates Z: 12 14.636 1.860 0.745 0.883 1.000 0.818 CB 0.983 10 residues pruned to eliminate duplicates Z: 10 15.493 2.059 0.356 0.915 1.000 0.889 CB 1.308 11 residues pruned to eliminate duplicates Z: 22 26.325 2.098 0.698 0.592 0.952 0.667 CA 1.551 11 residues pruned to eliminate duplicates Z: 9 12.228 1.956 0.328 0.908 1.000 1.000 CB 1.182 9 residues pruned to eliminate duplicates Z: 12 22.009 2.088 1.063 0.811 0.909 0.727 CA 1.293 12 residues pruned to eliminate duplicates Z: 15 22.936 1.834 0.980 0.908 1.000 0.929 CA 1.199 15 residues pruned to eliminate duplicates Z: 31 23.046 2.214 0.591 0.364 0.867 0.600 CB 1.596 31 residues pruned to eliminate duplicates Z: 10 9.952 1.735 0.407 0.760 0.889 0.667 CB 1.213 10 residues pruned to eliminate duplicates Z: 23 17.682 2.008 0.854 0.565 0.818 0.682 CB 1.162 13 residues pruned to eliminate duplicates Z: 38 37.748 2.092 0.961 0.649 0.946 0.676 CB 1.391 38 residues pruned to eliminate duplicates Z: 36 18.743 1.844 0.500 0.392 0.886 0.543 CB 1.450 58 residues pruned to eliminate duplicates Z: 20 16.058 2.003 0.492 0.476 0.947 0.579 CB 1.332 20 residues pruned to eliminate duplicates Z: 12 18.066 2.028 0.533 0.782 1.000 0.636 CA 1.366 Z: 112 61.665 2.104 0.872 0.621 0.928 0.586 CB 1.429 111 residues pruned to eliminate duplicates Z: 10 6.770 1.526 0.709 0.384 0.889 0.333 N 1.102 Z: 13 18.328 2.158 0.510 0.935 1.000 0.833 CB 1.131 13 residues pruned to eliminate duplicates Z: 16 25.477 1.903 0.790 0.866 1.000 0.800 CB 1.414 16 residues pruned to eliminate duplicates Z: 34 29.949 2.087 0.947 0.402 0.909 0.424 CB 1.565 33 residues pruned to eliminate duplicates Z: 9 9.515 1.809 0.630 0.802 0.625 0.625 CA 1.402 9 residues pruned to eliminate duplicates Z: 13 22.054 2.186 0.719 0.793 1.000 0.667 CA 1.310 13 residues pruned to eliminate duplicates Z: 12 15.826 1.985 0.709 0.684 0.909 0.636 CA 1.307 12 residues pruned to eliminate duplicates Z: 13 15.501 1.750 0.755 0.744 0.917 0.417 CB 1.277 13 residues pruned to eliminate duplicates Z: 11 11.489 1.880 0.208 0.888 1.000 0.800 CB 1.152 11 residues pruned to eliminate duplicates Z: 8 7.295 1.872 1.001 0.454 0.571 0.429 CA 1.350 8 residues pruned to eliminate duplicates Z: 10 17.256 1.875 0.819 0.904 1.000 1.000 CA 1.201 10 residues pruned to eliminate duplicates Z: 67 44.878 2.121 0.821 0.653 0.894 0.621 CB 1.388 67 residues pruned to eliminate duplicates Z: 18 18.652 1.856 0.660 0.793 0.941 0.588 CB 1.206 18 residues pruned to eliminate duplicates Z: 8 9.637 1.795 0.522 0.382 1.000 0.286 O 1.512 8 residues pruned to eliminate duplicates Z: 45 31.352 2.139 0.793 0.428 0.886 0.500 CB 1.498 45 residues pruned to eliminate duplicates Z: 12 10.663 1.681 0.409 0.749 0.909 0.636 CA 1.196 Z: 10 12.590 1.968 0.357 0.876 0.889 0.556 CB 1.284 10 residues pruned to eliminate duplicates 6 1.613 1.141 0.693 0.455 0.800 0.600 CB 0.489 ? Z: 111 56.216 2.089 0.865 0.584 0.909 0.555 CB 1.396 111 residues pruned to eliminate duplicates Z: 7 16.394 2.039 0.669 0.832 1.000 0.667 CB 1.476 7 residues pruned to eliminate duplicates Z: 104 52.321 2.096 0.757 0.604 0.893 0.592 CB 1.420 104 residues pruned to eliminate duplicates Z: 14 24.159 1.887 0.787 0.914 1.000 0.846 CA 1.405 14 residues pruned to eliminate duplicates Z: 6 10.009 2.129 0.702 0.245 1.000 0.800 CB 1.657 6 residues pruned to eliminate duplicates Z: 133 65.738 2.179 0.740 0.574 0.955 0.644 CB 1.472 131 residues pruned to eliminate duplicates Z: 26 22.457 2.097 0.673 0.579 0.880 0.680 CB 1.348 26 residues pruned to eliminate duplicates Z: 12 8.966 1.725 1.104 0.376 0.727 0.636 CB 1.169 6 residues pruned to eliminate duplicates Z: 11 26.799 2.224 0.955 0.863 1.000 0.700 CA 1.430 11 residues pruned to eliminate duplicates Z: 128 64.863 2.116 0.837 0.589 0.913 0.591 CB 1.489 124 residues pruned to eliminate duplicates Z: 14 17.728 2.023 0.620 0.912 0.923 0.615 CB 1.151 14 residues pruned to eliminate duplicates Z: 18 29.347 1.911 1.018 0.883 0.941 0.647 CA 1.418 18 residues pruned to eliminate duplicates Z: 34 27.982 2.131 0.824 0.362 0.939 0.515 CB 1.547 33 residues pruned to eliminate duplicates Z: 12 13.958 2.026 0.414 0.775 0.909 0.636 CA 1.268 12 residues pruned to eliminate duplicates Z: 32 25.993 2.083 0.740 0.440 0.903 0.516 CB 1.517 32 residues pruned to eliminate duplicates Z: 11 14.646 1.974 0.834 0.471 0.900 0.500 CA 1.464 11 residues pruned to eliminate duplicates Z: 14 23.081 2.056 0.963 0.923 0.923 0.385 CB 1.207 14 residues pruned to eliminate duplicates Z: 9 20.697 2.283 0.524 0.847 1.000 0.750 CA 1.561 9 residues pruned to eliminate duplicates Z: 22 22.004 2.013 0.676 0.584 0.905 0.667 CB 1.451 22 residues pruned to eliminate duplicates Z: 14 22.421 2.057 0.667 0.931 1.000 0.846 CB 1.268 14 residues pruned to eliminate duplicates Z: 41 19.710 1.866 0.708 0.450 0.875 0.475 CB 1.176 41 residues pruned to eliminate duplicates Z: 12 4.468 1.703 0.494 0.326 0.727 0.545 CB 0.882 Z: 14 20.292 2.090 0.728 0.909 0.923 0.692 CB 1.198 14 residues pruned to eliminate duplicates Z: 9 7.896 1.773 0.209 0.668 1.000 1.000 CB 1.115 9 residues pruned to eliminate duplicates Z: 16 10.739 1.850 0.485 0.411 0.867 0.400 CB 1.278 16 residues pruned to eliminate duplicates Z: 54 31.208 2.123 0.710 0.400 0.868 0.547 CB 1.512 54 residues pruned to eliminate duplicates Z: 20 17.649 2.050 0.560 0.662 0.895 0.684 CB 1.218 20 residues pruned to eliminate duplicates Z: 12 24.390 2.055 0.728 0.930 1.000 1.000 CA 1.448 12 residues pruned to eliminate duplicates Z: 14 17.403 1.889 0.607 0.681 1.000 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 27 24.407 2.136 0.794 0.380 0.885 0.500 CB 1.604 27 residues pruned to eliminate duplicates Z: 30 24.615 2.018 0.835 0.394 0.862 0.552 CA 1.601 30 residues pruned to eliminate duplicates Z: 12 18.258 2.130 0.491 0.912 1.000 0.909 CB 1.228 12 residues pruned to eliminate duplicates Z: 18 24.164 1.858 0.944 0.816 0.941 0.529 CB 1.311 18 residues pruned to eliminate duplicates Z: 7 10.535 1.973 1.039 0.661 0.833 0.833 CB 1.105 7 residues pruned to eliminate duplicates Z: 18 22.531 1.872 0.683 0.833 1.000 0.765 CB 1.302 18 residues pruned to eliminate duplicates Z: 59 37.752 2.052 0.697 0.507 0.931 0.603 CB 1.518 59 residues pruned to eliminate duplicates Z: 56 41.966 2.090 0.932 0.524 0.927 0.564 CB 1.476 56 residues pruned to eliminate duplicates Z: 11 16.815 1.939 0.484 0.917 1.000 1.000 CB 1.304 11 residues pruned to eliminate duplicates Z: 16 20.641 2.046 1.007 0.877 0.933 0.800 CB 1.010 16 residues pruned to eliminate duplicates Z: 12 19.820 1.939 0.706 0.837 1.000 0.909 CA 1.351 12 residues pruned to eliminate duplicates Z: 9 11.079 1.872 0.116 0.896 1.000 1.000 CB 1.343 Z: 11 8.337 1.991 0.752 0.528 0.700 0.700 CB 1.051 12 residues pruned to eliminate duplicates Z: 115 56.112 2.094 0.810 0.578 0.886 0.500 CB 1.451 115 residues pruned to eliminate duplicates Z: 11 19.620 2.007 0.671 0.918 1.000 1.000 CA 1.305 11 residues pruned to eliminate duplicates Z: 109 63.936 2.138 0.848 0.604 0.954 0.574 CB 1.479 109 residues pruned to eliminate duplicates Z: 14 18.968 1.827 0.635 0.847 1.000 0.846 CB 1.307 14 residues pruned to eliminate duplicates Z: 9 7.010 1.750 0.528 0.563 0.750 0.375 CA 1.163 9 residues pruned to eliminate duplicates Z: 13 28.352 2.012 1.173 0.866 1.000 0.750 CB 1.370 13 residues pruned to eliminate duplicates Z: 11 13.256 2.118 0.593 0.854 0.800 0.600 CB 1.147 11 residues pruned to eliminate duplicates Z: 44 53.825 2.306 0.872 0.734 0.977 0.698 CB 1.577 44 residues pruned to eliminate duplicates Z: 14 14.541 1.650 0.562 0.871 1.000 0.769 CB 1.141 9 residues pruned to eliminate duplicates Z: 17 11.805 2.073 0.449 0.402 0.750 0.625 CB 1.453 17 residues pruned to eliminate duplicates Z: 12 19.299 2.140 0.828 0.826 0.818 0.727 CB 1.372 12 residues pruned to eliminate duplicates Z: 9 5.135 1.667 0.615 0.471 0.750 0.625 CA 0.926 9 residues pruned to eliminate duplicates Z: 16 25.101 1.903 0.994 0.834 0.933 0.533 CA 1.371 16 residues pruned to eliminate duplicates Z: 19 19.696 1.804 0.775 0.843 0.944 0.667 CB 1.143 19 residues pruned to eliminate duplicates Z: 53 36.529 2.174 0.831 0.434 0.865 0.596 CB 1.575 53 residues pruned to eliminate duplicates Z: 14 15.768 2.037 0.436 0.929 0.923 0.769 CB 1.133 14 residues pruned to eliminate duplicates Z: 13 8.717 1.609 0.264 0.740 0.917 0.750 CA 1.088 13 residues pruned to eliminate duplicates Z: 33 24.977 2.137 0.751 0.348 0.875 0.594 CB 1.591 33 residues pruned to eliminate duplicates Z: 6 6.299 1.875 0.531 0.444 0.800 0.600 CA 1.299 Z: 50 37.980 2.187 0.789 0.432 0.939 0.490 CB 1.585 50 residues pruned to eliminate duplicates Z: 9 9.787 1.845 0.322 0.726 0.875 0.750 CA 1.323 9 residues pruned to eliminate duplicates Z: 72 32.287 2.061 0.686 0.418 0.887 0.535 CB 1.354 72 residues pruned to eliminate duplicates Z: 14 25.566 1.861 1.003 0.903 1.000 0.769 CA 1.355 14 residues pruned to eliminate duplicates Z: 35 23.797 2.100 0.762 0.326 0.882 0.559 CA 1.512 35 residues pruned to eliminate duplicates Z: 11 15.756 2.193 0.989 0.357 1.000 0.500 CA 1.332 11 residues pruned to eliminate duplicates Z: 10 14.452 1.850 0.568 0.846 1.000 0.556 CB 1.234 10 residues pruned to eliminate duplicates Z: 16 18.261 1.860 0.792 0.839 0.800 0.467 CB 1.321 16 residues pruned to eliminate duplicates Z: 35 26.428 1.992 0.551 0.593 0.912 0.676 CB 1.472 36 residues pruned to eliminate duplicates Z: 33 26.010 2.187 0.741 0.366 0.875 0.562 CB 1.594 33 residues pruned to eliminate duplicates Z: 46 31.216 2.076 0.795 0.666 0.911 0.667 CB 1.175 46 residues pruned to eliminate duplicates Z: 10 17.820 2.002 0.502 0.903 1.000 0.778 CB 1.409 10 residues pruned to eliminate duplicates Z: 11 13.177 1.904 0.494 0.836 1.000 0.600 CB 1.096 11 residues pruned to eliminate duplicates Z: 19 12.504 1.749 0.741 0.331 0.944 0.611 CB 1.234 19 residues pruned to eliminate duplicates Z: 46 33.141 2.077 0.814 0.709 0.933 0.644 CB 1.162 46 residues pruned to eliminate duplicates Z: 6 5.118 1.843 0.463 0.375 0.800 0.600 CA 1.213 6 residues pruned to eliminate duplicates Z: 14 21.524 2.043 0.969 0.814 0.923 0.538 CB 1.223 14 residues pruned to eliminate duplicates Z: 11 15.985 2.047 0.565 0.843 1.000 0.700 CA 1.175 11 residues pruned to eliminate duplicates Z: 7 2.445 1.853 0.052 0.676 0.667 0.667 CB 0.653 Z: 11 14.772 2.061 0.565 0.818 0.800 0.600 CA 1.374 11 residues pruned to eliminate duplicates Z: 16 25.989 1.981 1.122 0.800 0.933 0.733 CA 1.316 16 residues pruned to eliminate duplicates Z: 11 13.729 2.023 0.327 0.812 0.900 0.600 CA 1.370 11 residues pruned to eliminate duplicates Z: 20 16.222 1.913 0.291 0.582 1.000 0.737 CB 1.393 20 residues pruned to eliminate duplicates Z: 10 11.183 1.875 0.390 0.678 0.889 0.556 CB 1.366 10 residues pruned to eliminate duplicates Z: 11 6.570 1.806 0.594 0.437 0.700 0.500 CB 1.100 10 residues pruned to eliminate duplicates Z: 9 12.566 2.035 0.342 0.802 0.875 0.500 CB 1.428 9 residues pruned to eliminate duplicates Z: 42 22.848 2.029 0.660 0.466 0.878 0.585 CB 1.249 42 residues pruned to eliminate duplicates Z: 22 11.271 1.847 0.354 0.577 0.810 0.571 CB 1.128 22 residues pruned to eliminate duplicates Z: 10 11.697 2.139 0.447 0.831 0.778 0.556 CA 1.217 10 residues pruned to eliminate duplicates Z: 32 37.547 2.073 0.843 0.664 1.000 0.613 CB 1.516 32 residues pruned to eliminate duplicates Z: 17 27.098 1.916 1.074 0.856 1.000 0.688 CA 1.258 17 residues pruned to eliminate duplicates Z: 15 6.023 1.372 0.213 0.635 0.857 0.643 CB 0.995 15 residues pruned to eliminate duplicates Z: 18 22.129 1.852 0.902 0.818 0.941 0.706 CB 1.229 18 residues pruned to eliminate duplicates Z: 10 20.455 2.082 0.614 0.925 1.000 0.889 CB 1.425 11 residues pruned to eliminate duplicates Z: 14 22.214 2.071 0.691 0.917 0.923 0.769 CA 1.345 14 residues pruned to eliminate duplicates Z: 31 27.996 2.184 0.785 0.392 0.933 0.600 CA 1.573 31 residues pruned to eliminate duplicates Z: 10 15.194 2.126 0.929 0.810 0.667 0.444 CB 1.415 10 residues pruned to eliminate duplicates Z: 13 20.526 1.879 0.642 0.864 1.000 0.833 CB 1.409 13 residues pruned to eliminate duplicates Z: 24 16.719 1.893 0.737 0.630 0.870 0.609 CB 1.080 24 residues pruned to eliminate duplicates Z: 9 12.843 1.703 0.936 0.823 0.875 0.500 CB 1.190 9 residues pruned to eliminate duplicates Z: 6 2.899 1.389 -0.014 0.699 1.000 0.400 N 0.790 6 residues pruned to eliminate duplicates Z: 20 21.761 2.003 1.016 0.454 0.947 0.737 CB 1.368 20 residues pruned to eliminate duplicates Z: 21 14.470 1.984 0.674 0.481 0.800 0.250 CB 1.241 21 residues pruned to eliminate duplicates Z: 14 18.318 2.156 0.918 0.819 1.000 0.462 CB 0.931 14 residues pruned to eliminate duplicates Z: 8 4.492 1.659 0.606 0.304 0.571 0.571 N 1.387 8 residues pruned to eliminate duplicates Z: 19 11.628 1.905 0.574 0.394 0.778 0.556 CB 1.315 19 residues pruned to eliminate duplicates Z: 9 12.268 1.880 0.652 0.840 0.875 0.750 CB 1.191 8 residues pruned to eliminate duplicates Z: 19 27.571 2.163 0.726 0.623 1.000 0.833 CA 1.551 23 residues pruned to eliminate duplicates Z: 11 16.567 1.977 0.915 0.839 0.900 0.800 CA 1.148 11 residues pruned to eliminate duplicates Z: 11 12.048 1.719 0.367 0.800 1.000 0.400 CA 1.246 13 residues pruned to eliminate duplicates Z: 14 15.939 1.785 0.840 0.735 0.923 0.615 CA 1.181 14 residues pruned to eliminate duplicates Z: 53 30.202 2.134 0.682 0.409 0.827 0.558 CB 1.552 53 residues pruned to eliminate duplicates Z: 6 4.159 1.616 0.069 0.449 0.800 0.600 CA 1.418 Z: 15 18.916 2.074 1.075 0.869 1.000 0.714 CB 0.858 15 residues pruned to eliminate duplicates Z: 23 13.960 1.833 0.379 0.417 0.955 0.682 CB 1.345 23 residues pruned to eliminate duplicates Z: 11 8.878 1.676 0.588 0.494 0.900 0.500 CA 1.179 11 residues pruned to eliminate duplicates Z: 39 31.571 2.139 0.685 0.605 0.947 0.579 CA 1.358 39 residues pruned to eliminate duplicates Z: 12 7.322 1.724 0.302 0.619 0.818 0.636 CB 1.074 12 residues pruned to eliminate duplicates Z: 12 13.484 1.933 0.374 0.831 1.000 0.727 CB 1.150 12 residues pruned to eliminate duplicates Z: 89 57.351 2.138 0.926 0.648 0.909 0.625 CB 1.422 89 residues pruned to eliminate duplicates Z: 89 44.794 2.093 0.701 0.640 0.898 0.568 CB 1.311 89 residues pruned to eliminate duplicates Z: 22 14.014 1.799 0.417 0.550 0.857 0.667 CB 1.332 15 residues pruned to eliminate duplicates Z: 6 6.782 1.644 0.708 0.805 0.800 0.600 CA 1.035 6 residues pruned to eliminate duplicates Z: 81 49.824 2.121 0.854 0.582 0.938 0.637 CB 1.396 81 residues pruned to eliminate duplicates Z: 22 11.360 1.957 0.402 0.283 0.857 0.333 CA 1.346 22 residues pruned to eliminate duplicates Z: 14 22.106 1.812 0.821 0.896 1.000 0.846 CB 1.330 14 residues pruned to eliminate duplicates Z: 33 22.702 2.111 0.724 0.327 0.875 0.531 CB 1.524 33 residues pruned to eliminate duplicates Z: 115 53.337 2.142 0.690 0.558 0.921 0.579 CB 1.417 115 residues pruned to eliminate duplicates Z: 8 8.667 1.672 0.592 0.720 0.857 0.571 CA 1.177 8 residues pruned to eliminate duplicates Z: 82 43.539 2.015 0.718 0.628 0.889 0.568 CB 1.394 82 residues pruned to eliminate duplicates Z: 109 63.957 2.135 0.927 0.613 0.917 0.611 CB 1.466 109 residues pruned to eliminate duplicates Z: 14 19.372 1.809 0.645 0.891 1.000 0.846 CB 1.298 14 residues pruned to eliminate duplicates Z: 7 4.303 1.853 0.477 0.664 0.833 0.667 CB 0.662 Z: 14 9.155 1.738 0.301 0.578 0.923 0.615 CB 1.128 14 residues pruned to eliminate duplicates Z: 14 22.047 1.864 0.900 0.924 1.000 0.923 CA 1.213 14 residues pruned to eliminate duplicates Z: 15 8.603 1.984 0.341 0.292 0.786 0.429 CB 1.388 15 residues pruned to eliminate duplicates Z: 9 2.564 1.458 0.239 0.331 0.625 0.375 CA 0.967 9 residues pruned to eliminate duplicates Z: 21 20.131 2.024 0.633 0.530 0.950 0.600 CA 1.392 21 residues pruned to eliminate duplicates Z: 13 19.386 2.171 0.833 0.923 1.000 0.583 CB 0.989 13 residues pruned to eliminate duplicates Z: 6 4.564 1.858 0.220 0.624 0.800 0.600 CB 1.002 6 residues pruned to eliminate duplicates Z: 17 23.240 1.967 0.803 0.881 0.938 0.875 CA 1.266 17 residues pruned to eliminate duplicates Z: 12 8.075 1.542 0.342 0.821 0.909 0.727 CA 0.981 12 residues pruned to eliminate duplicates Z: 9 17.438 1.897 0.878 0.909 1.000 1.000 CA 1.228 9 residues pruned to eliminate duplicates Z: 116 41.815 2.044 0.720 0.454 0.852 0.504 CB 1.365 116 residues pruned to eliminate duplicates Z: 11 25.333 2.211 0.867 0.916 1.000 1.000 CA 1.370 11 residues pruned to eliminate duplicates Z: 45 38.260 2.120 1.038 0.457 0.909 0.523 CB 1.534 45 residues pruned to eliminate duplicates Z: 32 29.115 2.022 0.662 0.597 0.968 0.645 CB 1.466 31 residues pruned to eliminate duplicates Z: 10 8.704 1.668 0.290 0.856 1.000 0.778 CA 0.994 10 residues pruned to eliminate duplicates Z: 73 40.889 2.108 0.727 0.603 0.847 0.556 CB 1.416 73 residues pruned to eliminate duplicates Z: 15 22.220 2.106 0.986 0.857 0.929 0.857 CB 1.126 15 residues pruned to eliminate duplicates Z: 12 13.276 1.664 0.363 0.905 1.000 0.818 CB 1.256 12 residues pruned to eliminate duplicates Z: 44 29.250 2.146 0.700 0.373 0.907 0.535 CB 1.545 44 residues pruned to eliminate duplicates Z: 18 16.394 1.854 0.615 0.775 0.882 0.706 CB 1.180 18 residues pruned to eliminate duplicates Z: 8 7.675 1.592 0.292 0.550 1.000 0.714 CB 1.344 Z: 109 62.527 2.118 0.809 0.625 0.954 0.657 CB 1.463 109 residues pruned to eliminate duplicates Z: 22 21.133 2.091 0.457 0.536 1.000 0.571 CA 1.462 22 residues pruned to eliminate duplicates Z: 24 22.232 2.030 0.643 0.566 0.913 0.565 CA 1.428 24 residues pruned to eliminate duplicates Z: 18 22.332 1.885 0.925 0.853 0.882 0.588 CB 1.250 18 residues pruned to eliminate duplicates Z: 16 9.023 1.892 0.194 0.662 0.867 0.600 CB 1.023 16 residues pruned to eliminate duplicates Z: 12 17.337 2.068 0.426 0.838 1.000 0.545 CB 1.325 12 residues pruned to eliminate duplicates Z: 27 26.914 2.107 0.889 0.618 0.885 0.615 CB 1.341 27 residues pruned to eliminate duplicates Z: 8 3.594 1.569 0.106 0.504 0.571 0.429 N 1.364 Z: 37 23.537 2.036 0.575 0.526 0.861 0.583 CB 1.386 37 residues pruned to eliminate duplicates Z: 6 4.153 1.518 1.032 0.469 0.600 0.400 CB 1.036 6 residues pruned to eliminate duplicates Z: 12 16.992 1.799 1.069 0.929 1.000 0.818 CB 0.963 12 residues pruned to eliminate duplicates Z: 6 3.378 1.297 0.300 0.407 1.000 0.800 C 0.988 Z: 14 14.447 1.814 0.582 0.814 1.000 0.769 CB 1.062 14 residues pruned to eliminate duplicates Z: 10 15.466 1.879 0.661 0.823 1.000 0.556 CA 1.248 10 residues pruned to eliminate duplicates Z: 7 4.481 1.547 0.529 0.381 0.833 0.500 CB 1.053 7 residues pruned to eliminate duplicates Z: 130 54.907 2.141 0.694 0.541 0.884 0.535 CB 1.449 130 residues pruned to eliminate duplicates Z: 33 22.410 2.097 0.825 0.370 0.844 0.531 CB 1.410 33 residues pruned to eliminate duplicates 6 1.553 1.588 -0.018 0.448 0.600 0.400 O 0.783 ? Z: 12 10.291 1.759 0.537 0.665 0.909 0.364 CB 1.083 12 residues pruned to eliminate duplicates Z: 20 16.991 2.032 0.566 0.456 0.842 0.526 CB 1.521 20 residues pruned to eliminate duplicates Z: 13 13.568 1.681 0.546 0.812 0.917 0.833 CA 1.254 13 residues pruned to eliminate duplicates Z: 6 2.177 1.638 -0.381 0.350 0.800 0.400 N 1.412 Z: 11 19.113 2.152 0.501 0.849 1.000 1.000 CB 1.387 11 residues pruned to eliminate duplicates Z: 28 18.374 1.977 0.726 0.444 0.778 0.519 CA 1.411 28 residues pruned to eliminate duplicates Z: 7 15.994 1.842 0.847 0.754 1.000 0.833 O 1.531 Z: 7 4.454 1.562 0.471 0.248 0.833 0.667 O 1.271 Z: 13 13.188 1.973 0.404 0.599 0.833 0.667 CA 1.501 13 residues pruned to eliminate duplicates Z: 16 15.909 1.932 0.519 0.620 0.933 0.600 CB 1.340 16 residues pruned to eliminate duplicates Z: 6 3.949 1.662 0.370 0.449 0.800 0.600 N 1.022 Z: 63 52.031 2.207 0.853 0.657 0.935 0.613 CB 1.493 63 residues pruned to eliminate duplicates Z: 12 3.246 1.430 0.179 0.301 0.909 0.364 CB 0.797 9 residues pruned to eliminate duplicates Z: 9 13.407 2.019 0.469 0.862 1.000 0.500 CB 1.174 9 residues pruned to eliminate duplicates Z: 8 7.709 1.793 0.298 0.447 1.000 0.571 CB 1.322 8 residues pruned to eliminate duplicates Z: 11 16.098 2.021 0.735 0.804 0.800 0.500 CA 1.392 11 residues pruned to eliminate duplicates Z: 11 18.063 2.129 0.554 0.836 0.900 0.700 CA 1.436 11 residues pruned to eliminate duplicates Z: 12 9.656 1.731 0.188 0.590 0.909 0.455 C 1.429 Z: 6 4.852 1.639 0.063 0.664 1.000 1.000 C 1.069 6 1.913 1.213 0.679 0.414 0.800 0.600 CB 0.575 ? Z: 6 5.895 1.467 0.964 0.401 1.000 0.600 CB 1.015 Z: 13 18.849 1.758 0.778 0.917 1.000 0.917 CB 1.229 14 residues pruned to eliminate duplicates Z: 17 14.722 1.973 0.977 0.530 0.812 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 11 16.079 1.992 0.735 0.772 0.900 0.600 CB 1.286 11 residues pruned to eliminate duplicates Z: 10 15.491 1.739 0.938 0.877 0.889 0.778 CA 1.252 10 residues pruned to eliminate duplicates Z: 6 5.090 1.693 -0.047 0.773 1.000 0.800 C 1.109 6 residues pruned to eliminate duplicates Z: 9 7.249 1.504 0.389 0.746 1.000 1.000 CB 0.985 Z: 114 58.859 2.104 0.877 0.590 0.912 0.593 CB 1.412 114 residues pruned to eliminate duplicates Z: 21 16.866 1.926 0.764 0.611 0.950 0.650 CB 1.052 21 residues pruned to eliminate duplicates Z: 23 12.514 1.924 0.335 0.710 0.864 0.773 CB 0.994 23 residues pruned to eliminate duplicates Z: 33 24.059 2.088 0.679 0.390 0.875 0.594 CB 1.558 33 residues pruned to eliminate duplicates Z: 17 21.644 2.111 1.084 0.413 0.875 0.625 CB 1.539 17 residues pruned to eliminate duplicates Z: 13 17.562 1.785 0.563 0.678 1.000 0.500 CB 1.543 13 residues pruned to eliminate duplicates Z: 8 11.976 1.668 1.273 0.535 1.000 0.714 CB 1.154 Z: 15 21.560 1.973 0.945 0.870 0.857 0.714 CB 1.279 15 residues pruned to eliminate duplicates Z: 10 15.981 1.981 0.823 0.851 0.778 0.556 CB 1.404 10 residues pruned to eliminate duplicates Z: 14 13.746 1.753 0.871 0.826 0.846 0.538 CB 1.035 14 residues pruned to eliminate duplicates Z: 14 17.761 1.813 0.817 0.811 1.000 0.538 CB 1.140 14 residues pruned to eliminate duplicates Z: 11 6.595 1.874 0.513 0.417 0.700 0.400 CB 1.146 18 residues pruned to eliminate duplicates Z: 7 6.565 1.936 0.672 0.231 1.000 0.500 CB 1.133 7 residues pruned to eliminate duplicates Z: 12 14.565 1.885 0.339 0.731 1.000 0.727 CA 1.414 12 residues pruned to eliminate duplicates Z: 11 10.782 1.729 0.646 0.792 0.800 0.400 CB 1.159 10 residues pruned to eliminate duplicates Z: 6 4.662 1.853 -0.330 0.857 1.000 1.000 CA 1.238 6 residues pruned to eliminate duplicates Z: 6 3.202 1.400 0.189 0.398 0.800 0.400 N 1.197 Z: 21 23.345 1.971 0.845 0.631 0.850 0.450 CA 1.493 21 residues pruned to eliminate duplicates Z: 11 16.054 1.874 0.651 0.771 1.000 0.800 CA 1.291 11 residues pruned to eliminate duplicates 6 1.534 1.460 0.504 0.159 0.600 0.600 CB 0.790 ? Z: 23 22.682 1.966 0.709 0.517 0.955 0.727 CB 1.482 23 residues pruned to eliminate duplicates Z: 11 11.272 1.670 0.653 0.789 0.900 0.600 CB 1.113 11 residues pruned to eliminate duplicates 6 1.221 1.365 0.115 0.800 1.000 1.000 CB 0.276 ? Z: 45 38.036 2.145 0.979 0.475 0.977 0.477 CB 1.417 45 residues pruned to eliminate duplicates Z: 6 6.684 1.888 -0.188 0.651 1.000 0.600 CB 1.694 6 residues pruned to eliminate duplicates Z: 14 26.394 2.169 0.951 0.921 1.000 0.846 CB 1.217 14 residues pruned to eliminate duplicates 8 1.555 1.283 0.084 0.207 0.714 0.429 CB 0.837 ? Z: 11 12.662 1.793 0.610 0.691 0.900 0.700 CB 1.294 11 residues pruned to eliminate duplicates Z: 8 8.517 1.671 0.857 0.650 1.000 0.714 CB 0.902 8 residues pruned to eliminate duplicates Z: 14 11.352 1.851 0.360 0.549 1.000 0.692 CB 1.192 14 residues pruned to eliminate duplicates 6 1.511 1.590 0.279 0.197 0.800 0.200 CB 0.596 ? Z: 16 10.092 1.618 0.503 0.656 0.800 0.600 CB 1.158 16 residues pruned to eliminate duplicates Z: 25 11.025 1.817 0.274 0.499 0.875 0.500 CB 1.113 25 residues pruned to eliminate duplicates Z: 11 4.803 1.487 0.358 0.486 0.800 0.600 C 0.953 Z: 12 13.295 1.673 0.607 0.793 0.909 0.727 CB 1.269 11 residues pruned to eliminate duplicates Z: 81 54.571 2.090 0.897 0.662 0.925 0.600 CB 1.432 81 residues pruned to eliminate duplicates Z: 7 7.560 1.707 0.587 0.774 1.000 1.000 CA 0.894 7 residues pruned to eliminate duplicates Z: 16 13.897 2.090 0.467 0.404 0.800 0.467 CA 1.619 16 residues pruned to eliminate duplicates Z: 8 2.266 1.217 0.221 0.474 0.714 0.286 CB 0.828 Z: 6 3.067 1.799 -0.371 0.742 1.000 0.800 CB 0.975 Using tripeptides from previous cycle as seeds Z: 12 11.089 1.717 0.393 0.720 0.818 0.636 CB 1.400 7 residues pruned to eliminate duplicates Z: 12 10.608 1.784 0.042 0.914 0.909 0.818 CA 1.338 12 residues pruned to eliminate duplicates Z: 23 14.704 1.767 0.408 0.537 1.000 0.682 CB 1.215 26 residues pruned to eliminate duplicates Z: 14 10.916 1.737 0.376 0.829 0.923 0.692 CA 1.033 14 residues pruned to eliminate duplicates Z: 15 15.699 1.855 0.574 0.675 1.000 0.643 CB 1.223 13 residues pruned to eliminate duplicates Z: 11 21.300 1.906 0.877 0.890 1.000 0.700 CA 1.355 13 residues pruned to eliminate duplicates Z: 13 17.058 1.872 0.632 0.901 1.000 0.833 CB 1.150 13 residues pruned to eliminate duplicates Z: 12 13.663 1.824 0.571 0.697 1.000 0.818 CA 1.201 12 residues pruned to eliminate duplicates Z: 15 19.220 1.797 0.782 0.760 1.000 0.929 CB 1.273 12 residues pruned to eliminate duplicates Z: 11 18.970 1.883 0.752 0.849 1.000 0.800 CB 1.347 11 residues pruned to eliminate duplicates Z: 12 17.021 1.807 0.901 0.805 0.909 0.818 CB 1.260 12 residues pruned to eliminate duplicates Z: 9 5.288 1.475 0.501 0.335 0.750 0.625 N 1.348 9 residues pruned to eliminate duplicates Z: 22 24.493 1.880 1.050 0.638 0.905 0.619 CB 1.347 22 residues pruned to eliminate duplicates Z: 9 10.120 1.708 0.852 0.500 0.875 0.375 N 1.293 9 residues pruned to eliminate duplicates Z: 13 5.455 1.742 0.743 0.401 0.667 0.333 N 0.863 13 residues pruned to eliminate duplicates Z: 23 21.884 2.059 0.709 0.503 0.864 0.545 CB 1.530 23 residues pruned to eliminate duplicates Z: 23 23.135 2.062 0.573 0.526 1.000 0.500 CA 1.482 23 residues pruned to eliminate duplicates Z: 8 15.853 1.970 1.107 0.667 1.000 0.714 CB 1.238 8 residues pruned to eliminate duplicates Z: 21 26.051 2.093 0.682 0.571 1.000 0.600 CA 1.546 19 residues pruned to eliminate duplicates Z: 6 2.892 1.468 0.611 0.173 0.800 0.600 N 1.016 6 residues pruned to eliminate duplicates Z: 23 24.163 2.037 0.758 0.531 0.909 0.500 CA 1.535 23 residues pruned to eliminate duplicates Z: 20 23.385 2.135 0.659 0.569 0.947 0.579 CA 1.495 20 residues pruned to eliminate duplicates Z: 14 16.429 1.980 0.587 0.607 0.923 0.462 CA 1.420 14 residues pruned to eliminate duplicates Z: 20 22.857 2.140 0.480 0.592 1.000 0.737 CB 1.516 20 residues pruned to eliminate duplicates Z: 22 20.108 2.059 0.515 0.450 0.952 0.571 CB 1.555 22 residues pruned to eliminate duplicates Z: 22 19.793 2.049 0.579 0.544 0.905 0.667 CB 1.413 22 residues pruned to eliminate duplicates Z: 21 21.022 2.113 0.575 0.534 0.900 0.600 CA 1.516 21 residues pruned to eliminate duplicates Z: 21 20.047 2.095 0.520 0.505 0.900 0.700 CA 1.557 21 residues pruned to eliminate duplicates Z: 30 14.528 1.970 0.389 0.380 0.828 0.483 CB 1.353 30 residues pruned to eliminate duplicates Z: 23 24.839 2.000 0.756 0.547 1.000 0.636 CA 1.440 22 residues pruned to eliminate duplicates Z: 12 11.708 1.957 0.362 0.699 0.909 0.636 CA 1.216 12 residues pruned to eliminate duplicates Z: 24 21.894 1.994 0.747 0.496 0.913 0.435 CA 1.440 24 residues pruned to eliminate duplicates Z: 14 19.691 1.860 1.121 0.645 0.923 0.615 CA 1.310 14 residues pruned to eliminate duplicates Z: 34 30.424 2.024 0.704 0.592 0.909 0.576 CB 1.546 34 residues pruned to eliminate duplicates Z: 11 32.092 2.111 1.260 0.792 1.000 0.600 CA 1.647 11 residues pruned to eliminate duplicates Z: 19 26.451 2.113 0.815 0.614 0.889 0.556 CA 1.641 19 residues pruned to eliminate duplicates Z: 29 28.544 2.082 0.591 0.568 0.929 0.643 CB 1.642 32 residues pruned to eliminate duplicates Z: 11 26.791 2.054 1.212 0.859 0.900 0.600 CA 1.524 11 residues pruned to eliminate duplicates Z: 19 27.921 2.125 0.802 0.613 0.944 0.444 CA 1.635 17 residues pruned to eliminate duplicates Z: 12 28.009 1.992 1.187 0.871 1.000 0.455 CA 1.414 12 residues pruned to eliminate duplicates Z: 31 27.931 2.014 0.553 0.606 0.933 0.633 CB 1.581 31 residues pruned to eliminate duplicates Z: 34 25.628 1.990 0.653 0.481 0.909 0.485 CB 1.522 34 residues pruned to eliminate duplicates Z: 33 30.185 2.028 0.713 0.586 0.938 0.594 CB 1.509 33 residues pruned to eliminate duplicates Z: 17 28.802 2.158 0.890 0.600 0.938 0.438 CB 1.712 17 residues pruned to eliminate duplicates Z: 32 29.733 2.055 0.632 0.548 0.968 0.645 CA 1.570 31 residues pruned to eliminate duplicates Z: 15 13.499 1.757 0.226 0.771 1.000 0.786 CB 1.318 15 residues pruned to eliminate duplicates Z: 34 26.624 2.008 0.625 0.566 0.909 0.697 CA 1.465 34 residues pruned to eliminate duplicates Z: 34 29.612 2.036 0.687 0.578 0.970 0.455 CB 1.436 34 residues pruned to eliminate duplicates Z: 11 15.328 1.914 0.417 0.788 0.900 0.600 CA 1.541 11 residues pruned to eliminate duplicates Z: 9 14.193 1.865 0.530 0.757 1.000 0.750 CB 1.399 9 residues pruned to eliminate duplicates Z: 11 16.784 1.906 0.581 0.789 1.000 0.600 CA 1.367 11 residues pruned to eliminate duplicates Z: 34 30.068 1.992 0.733 0.559 0.970 0.485 CB 1.476 34 residues pruned to eliminate duplicates Z: 33 29.344 2.026 0.682 0.591 0.938 0.656 CB 1.488 33 residues pruned to eliminate duplicates Z: 14 18.720 1.888 0.779 0.776 1.000 0.846 CB 1.212 14 residues pruned to eliminate duplicates Z: 13 18.768 1.777 0.696 0.897 1.000 0.917 CB 1.286 13 residues pruned to eliminate duplicates Z: 54 36.533 2.042 0.678 0.553 0.943 0.509 CB 1.475 62 residues pruned to eliminate duplicates Z: 6 4.773 1.598 0.572 0.424 1.000 0.800 CA 0.919 6 residues pruned to eliminate duplicates Z: 22 20.861 2.070 0.935 0.519 0.857 0.524 CA 1.301 22 residues pruned to eliminate duplicates Z: 71 46.340 2.187 0.806 0.651 0.871 0.614 CB 1.399 71 residues pruned to eliminate duplicates Z: 79 47.612 2.169 0.694 0.646 0.897 0.667 CB 1.427 79 residues pruned to eliminate duplicates Z: 24 31.744 2.207 0.881 0.589 0.913 0.783 CB 1.604 24 residues pruned to eliminate duplicates Z: 81 53.047 2.177 0.759 0.646 0.950 0.650 CB 1.422 81 residues pruned to eliminate duplicates Z: 72 49.583 2.168 0.713 0.684 0.930 0.620 CB 1.440 72 residues pruned to eliminate duplicates Z: 23 29.132 2.200 0.875 0.571 0.955 0.636 CB 1.473 23 residues pruned to eliminate duplicates Z: 85 46.324 2.129 0.725 0.650 0.869 0.631 CB 1.377 85 residues pruned to eliminate duplicates Z: 84 46.852 2.135 0.709 0.660 0.892 0.614 CB 1.363 84 residues pruned to eliminate duplicates Z: 82 53.533 2.153 0.771 0.670 0.914 0.654 CB 1.460 82 residues pruned to eliminate duplicates Z: 63 50.796 2.220 0.838 0.694 0.903 0.565 CB 1.466 63 residues pruned to eliminate duplicates Z: 80 54.444 2.183 0.761 0.696 0.949 0.696 CB 1.404 80 residues pruned to eliminate duplicates Z: 24 28.302 2.173 0.933 0.556 0.957 0.565 CB 1.392 24 residues pruned to eliminate duplicates Z: 83 47.809 2.125 0.718 0.648 0.902 0.598 CB 1.396 83 residues pruned to eliminate duplicates Z: 77 49.373 2.155 0.773 0.675 0.921 0.592 CB 1.369 77 residues pruned to eliminate duplicates Z: 83 50.819 2.158 0.788 0.654 0.902 0.512 CB 1.397 83 residues pruned to eliminate duplicates Z: 36 42.850 2.260 0.797 0.689 0.914 0.571 CB 1.641 36 residues pruned to eliminate duplicates Z: 72 53.957 2.197 0.817 0.668 0.944 0.606 CB 1.455 72 residues pruned to eliminate duplicates Z: 60 48.524 2.217 0.823 0.630 0.932 0.661 CB 1.484 60 residues pruned to eliminate duplicates Z: 74 48.657 2.160 0.714 0.628 0.918 0.685 CB 1.485 74 residues pruned to eliminate duplicates Z: 56 40.324 2.170 0.750 0.621 0.909 0.636 CB 1.405 56 residues pruned to eliminate duplicates Z: 59 47.110 2.209 0.757 0.646 0.914 0.690 CB 1.522 59 residues pruned to eliminate duplicates Z: 27 35.977 2.277 0.642 0.679 0.962 0.462 CA 1.664 27 residues pruned to eliminate duplicates Z: 73 50.745 2.199 0.731 0.675 0.958 0.569 CB 1.395 73 residues pruned to eliminate duplicates Z: 70 55.678 2.210 0.870 0.676 0.942 0.609 CB 1.464 72 residues pruned to eliminate duplicates Z: 14 32.873 2.298 0.767 0.894 0.923 0.615 CA 1.745 14 residues pruned to eliminate duplicates Z: 50 42.104 2.178 0.839 0.713 0.898 0.633 CB 1.378 50 residues pruned to eliminate duplicates Z: 49 38.225 2.136 0.800 0.722 0.896 0.562 CB 1.311 49 residues pruned to eliminate duplicates Z: 118 53.780 2.130 0.771 0.550 0.889 0.556 CB 1.412 118 residues pruned to eliminate duplicates Z: 83 53.046 2.151 0.815 0.668 0.951 0.537 CB 1.351 83 residues pruned to eliminate duplicates Z: 74 52.098 2.167 0.877 0.639 0.904 0.562 CB 1.456 74 residues pruned to eliminate duplicates Z: 50 45.997 2.254 0.869 0.653 0.918 0.510 CB 1.473 50 residues pruned to eliminate duplicates Z: 83 44.248 2.127 0.684 0.657 0.866 0.585 CB 1.361 83 residues pruned to eliminate duplicates Z: 81 45.979 2.108 0.702 0.626 0.938 0.500 CB 1.357 81 residues pruned to eliminate duplicates Z: 72 49.558 2.185 0.678 0.699 0.958 0.563 CB 1.397 72 residues pruned to eliminate duplicates Z: 94 44.847 2.092 0.746 0.575 0.882 0.570 CB 1.344 94 residues pruned to eliminate duplicates Z: 47 32.295 2.076 0.725 0.695 0.913 0.739 CB 1.219 47 residues pruned to eliminate duplicates Z: 62 42.187 2.154 0.717 0.669 0.885 0.574 CB 1.411 62 residues pruned to eliminate duplicates Z: 81 52.991 2.181 0.779 0.692 0.913 0.562 CB 1.404 81 residues pruned to eliminate duplicates Z: 37 33.748 2.065 0.936 0.710 0.944 0.667 CB 1.232 37 residues pruned to eliminate duplicates Z: 81 54.943 2.177 0.765 0.694 0.950 0.613 CB 1.409 81 residues pruned to eliminate duplicates Z: 36 26.538 2.078 0.761 0.676 0.857 0.457 CB 1.216 36 residues pruned to eliminate duplicates Z: 47 33.530 2.066 0.831 0.679 0.913 0.565 CB 1.214 47 residues pruned to eliminate duplicates Z: 63 41.828 2.126 0.708 0.688 0.919 0.500 CB 1.339 63 residues pruned to eliminate duplicates Z: 63 39.133 2.133 0.647 0.670 0.887 0.597 CB 1.363 63 residues pruned to eliminate duplicates Z: 38 38.018 2.264 0.733 0.662 0.919 0.703 CB 1.492 38 residues pruned to eliminate duplicates Z: 74 50.465 2.148 0.804 0.691 0.945 0.603 CB 1.353 74 residues pruned to eliminate duplicates Z: 79 48.793 2.113 0.885 0.653 0.897 0.641 CB 1.340 79 residues pruned to eliminate duplicates Z: 15 9.625 1.878 0.457 0.714 0.857 0.786 CB 0.903 15 residues pruned to eliminate duplicates Z: 80 44.358 2.135 0.712 0.630 0.873 0.544 CB 1.384 80 residues pruned to eliminate duplicates Z: 83 49.905 2.143 0.695 0.652 0.902 0.634 CB 1.460 83 residues pruned to eliminate duplicates Z: 62 36.838 2.138 0.739 0.436 0.918 0.574 CB 1.475 62 residues pruned to eliminate duplicates Z: 11 10.344 1.862 0.312 0.551 1.000 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 12 11.386 1.998 0.157 0.595 1.000 0.636 CB 1.356 12 residues pruned to eliminate duplicates Z: 64 41.082 2.116 0.725 0.668 0.921 0.508 CB 1.318 64 residues pruned to eliminate duplicates Z: 113 55.470 2.167 0.730 0.561 0.902 0.616 CB 1.461 113 residues pruned to eliminate duplicates Z: 60 36.383 2.162 0.663 0.449 0.915 0.542 CB 1.516 60 residues pruned to eliminate duplicates Z: 102 57.000 2.157 0.800 0.624 0.911 0.683 CB 1.427 102 residues pruned to eliminate duplicates Z: 71 33.946 2.067 0.649 0.434 0.900 0.557 CB 1.416 71 residues pruned to eliminate duplicates Z: 62 38.093 2.176 0.741 0.439 0.918 0.574 CB 1.493 62 residues pruned to eliminate duplicates Z: 67 33.396 2.105 0.610 0.413 0.909 0.485 CB 1.462 67 residues pruned to eliminate duplicates Z: 70 32.832 2.096 0.651 0.420 0.884 0.580 CB 1.404 70 residues pruned to eliminate duplicates Z: 35 27.518 2.051 0.689 0.580 0.971 0.588 CB 1.299 35 residues pruned to eliminate duplicates Z: 54 32.933 2.136 0.757 0.405 0.887 0.472 CB 1.501 54 residues pruned to eliminate duplicates Z: 65 32.182 2.104 0.681 0.397 0.891 0.531 CB 1.423 65 residues pruned to eliminate duplicates Z: 62 38.186 2.168 0.738 0.443 0.918 0.557 CB 1.499 62 residues pruned to eliminate duplicates Z: 57 31.189 2.099 0.726 0.406 0.875 0.500 CB 1.451 57 residues pruned to eliminate duplicates Z: 96 46.905 2.142 0.704 0.513 0.926 0.642 CB 1.405 96 residues pruned to eliminate duplicates Z: 103 51.686 2.119 0.760 0.614 0.931 0.637 CB 1.323 103 residues pruned to eliminate duplicates Z: 10 9.208 1.755 0.375 0.709 0.778 0.444 CB 1.353 10 residues pruned to eliminate duplicates Z: 62 36.185 2.170 0.653 0.434 0.918 0.623 CB 1.507 62 residues pruned to eliminate duplicates Z: 60 42.347 2.197 0.753 0.461 0.949 0.542 CB 1.568 60 residues pruned to eliminate duplicates Z: 67 34.967 2.125 0.651 0.435 0.894 0.606 CB 1.468 67 residues pruned to eliminate duplicates Z: 56 34.440 2.141 0.730 0.401 0.891 0.545 CB 1.561 56 residues pruned to eliminate duplicates Z: 58 35.986 2.126 0.754 0.371 0.947 0.491 CB 1.550 58 residues pruned to eliminate duplicates Z: 62 38.795 2.148 0.758 0.425 0.951 0.541 CB 1.496 62 residues pruned to eliminate duplicates Z: 120 55.269 2.168 0.753 0.539 0.882 0.555 CB 1.454 120 residues pruned to eliminate duplicates Z: 133 61.278 2.151 0.782 0.563 0.924 0.583 CB 1.417 133 residues pruned to eliminate duplicates Z: 70 36.400 2.110 0.703 0.434 0.913 0.565 CB 1.430 70 residues pruned to eliminate duplicates Z: 131 61.954 2.172 0.748 0.548 0.915 0.585 CB 1.492 131 residues pruned to eliminate duplicates Z: 36 22.958 2.133 0.767 0.317 0.829 0.486 CB 1.521 36 residues pruned to eliminate duplicates Z: 27 23.394 2.117 0.894 0.387 0.846 0.462 CA 1.524 27 residues pruned to eliminate duplicates Z: 71 32.231 2.055 0.701 0.387 0.871 0.514 CB 1.426 71 residues pruned to eliminate duplicates Z: 61 40.906 2.168 0.808 0.466 0.900 0.550 CB 1.549 61 residues pruned to eliminate duplicates Z: 61 37.156 2.165 0.799 0.444 0.883 0.600 CB 1.476 61 residues pruned to eliminate duplicates Z: 69 33.713 2.074 0.743 0.397 0.868 0.559 CB 1.454 69 residues pruned to eliminate duplicates Z: 34 27.406 2.153 0.875 0.350 0.909 0.545 CB 1.530 34 residues pruned to eliminate duplicates Z: 131 61.637 2.174 0.792 0.564 0.892 0.531 CB 1.462 131 residues pruned to eliminate duplicates Z: 10 5.117 1.563 1.105 0.443 0.889 0.556 CB 0.618 10 residues pruned to eliminate duplicates Z: 60 36.822 2.116 0.728 0.407 0.949 0.576 CB 1.521 60 residues pruned to eliminate duplicates Z: 38 28.260 2.153 0.718 0.399 0.892 0.459 CB 1.567 38 residues pruned to eliminate duplicates Z: 33 20.638 2.116 0.663 0.317 0.812 0.500 CA 1.562 33 residues pruned to eliminate duplicates Z: 60 32.166 2.099 0.686 0.397 0.898 0.475 CB 1.468 60 residues pruned to eliminate duplicates Z: 32 26.691 2.182 0.730 0.383 0.903 0.484 CB 1.593 32 residues pruned to eliminate duplicates Z: 65 28.143 1.982 0.764 0.404 0.828 0.484 CB 1.343 65 residues pruned to eliminate duplicates Z: 52 25.719 2.001 0.686 0.524 0.824 0.431 CB 1.266 33 residues pruned to eliminate duplicates Z: 6 2.397 1.732 0.367 0.588 0.400 0.200 CB 1.041 6 residues pruned to eliminate duplicates Z: 66 38.187 2.075 0.747 0.520 0.923 0.631 CB 1.388 70 residues pruned to eliminate duplicates Z: 15 17.396 1.938 0.945 0.843 0.714 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 45 30.695 2.071 0.770 0.699 0.886 0.659 CB 1.188 45 residues pruned to eliminate duplicates Z: 48 31.356 2.024 0.757 0.707 0.872 0.511 CB 1.221 48 residues pruned to eliminate duplicates Z: 64 49.883 2.218 0.754 0.671 0.921 0.635 CB 1.499 64 residues pruned to eliminate duplicates Z: 46 32.840 2.094 0.718 0.675 0.956 0.578 CB 1.213 46 residues pruned to eliminate duplicates Z: 17 23.627 1.919 0.825 0.863 0.938 0.375 CB 1.320 17 residues pruned to eliminate duplicates Z: 38 31.043 2.052 0.832 0.669 0.919 0.541 CB 1.264 38 residues pruned to eliminate duplicates Z: 38 29.933 2.083 0.762 0.666 0.946 0.622 CB 1.216 38 residues pruned to eliminate duplicates Z: 35 35.021 2.127 0.872 0.715 1.000 0.824 CB 1.242 35 residues pruned to eliminate duplicates Z: 76 38.409 2.031 0.746 0.594 0.880 0.533 CB 1.299 76 residues pruned to eliminate duplicates Z: 82 48.207 2.152 0.676 0.654 0.926 0.667 CB 1.389 82 residues pruned to eliminate duplicates Z: 79 52.758 2.148 0.821 0.645 0.949 0.667 CB 1.406 79 residues pruned to eliminate duplicates Z: 34 28.076 2.135 0.738 0.388 0.909 0.515 CB 1.631 34 residues pruned to eliminate duplicates Z: 133 66.169 2.183 0.787 0.580 0.939 0.667 CB 1.454 133 residues pruned to eliminate duplicates Z: 6 5.489 1.751 0.535 0.349 0.800 0.600 CB 1.345 Z: 7 6.188 2.023 0.305 0.334 0.667 0.500 CA 1.720 5 residues pruned to eliminate duplicates Z: 7 4.256 1.706 0.133 0.376 0.833 0.167 CA 1.230 6 residues pruned to eliminate duplicates Z: 6 5.544 1.816 0.351 0.463 0.800 0.400 N 1.313 6 residues pruned to eliminate duplicates Z: 33 27.566 2.209 0.744 0.374 0.906 0.500 CB 1.597 33 residues pruned to eliminate duplicates Z: 34 27.281 2.182 0.803 0.361 0.909 0.545 CB 1.542 34 residues pruned to eliminate duplicates Z: 61 42.283 2.158 0.823 0.461 0.933 0.617 CB 1.547 61 residues pruned to eliminate duplicates Z: 61 38.120 2.158 0.732 0.441 0.917 0.500 CB 1.526 61 residues pruned to eliminate duplicates Z: 63 37.399 2.145 0.766 0.426 0.935 0.597 CB 1.448 63 residues pruned to eliminate duplicates Z: 65 37.333 2.120 0.764 0.420 0.922 0.578 CB 1.470 65 residues pruned to eliminate duplicates Z: 72 34.105 2.078 0.689 0.422 0.901 0.577 CB 1.387 72 residues pruned to eliminate duplicates Z: 8 3.198 1.672 0.155 0.299 0.714 0.143 CA 1.097 Z: 11 14.922 2.060 0.390 0.817 1.000 0.600 CA 1.250 11 residues pruned to eliminate duplicates Z: 12 25.834 2.141 0.871 0.769 0.909 0.636 CB 1.686 12 residues pruned to eliminate duplicates Z: 11 22.516 2.020 1.047 0.873 1.000 0.500 CA 1.254 11 residues pruned to eliminate duplicates Z: 13 22.145 2.089 0.799 0.686 0.917 0.667 CA 1.564 14 residues pruned to eliminate duplicates Z: 13 18.048 2.023 0.546 0.800 1.000 0.500 CA 1.281 13 residues pruned to eliminate duplicates Z: 13 26.675 2.171 0.863 0.751 1.000 0.833 CB 1.522 13 residues pruned to eliminate duplicates Z: 16 16.699 1.862 0.581 0.786 0.933 0.600 CA 1.220 16 residues pruned to eliminate duplicates Z: 12 24.322 2.115 0.954 0.859 0.909 0.455 CA 1.436 12 residues pruned to eliminate duplicates Z: 12 23.580 2.124 0.728 0.858 1.000 0.636 CA 1.427 12 residues pruned to eliminate duplicates Z: 15 22.674 2.138 0.916 0.574 1.000 0.643 CB 1.377 15 residues pruned to eliminate duplicates Z: 12 24.987 2.158 0.966 0.812 1.000 0.727 CB 1.353 10 residues pruned to eliminate duplicates Z: 11 13.815 2.071 0.663 0.800 0.800 0.500 CA 1.219 11 residues pruned to eliminate duplicates Z: 18 19.003 2.039 0.950 0.496 0.882 0.412 CB 1.318 19 residues pruned to eliminate duplicates Z: 12 21.629 2.161 0.696 0.869 0.909 0.727 CB 1.430 12 residues pruned to eliminate duplicates Z: 20 13.641 2.065 0.638 0.399 0.842 0.474 CB 1.222 20 residues pruned to eliminate duplicates Z: 13 18.623 2.146 1.075 0.603 0.917 0.667 CB 1.194 13 residues pruned to eliminate duplicates Z: 12 25.893 2.213 1.235 0.716 0.909 0.455 CB 1.428 12 residues pruned to eliminate duplicates Z: 19 17.172 2.108 0.856 0.436 0.889 0.500 CB 1.243 19 residues pruned to eliminate duplicates Z: 22 20.102 2.096 0.819 0.574 0.905 0.571 CB 1.185 22 residues pruned to eliminate duplicates Z: 19 18.257 2.114 0.713 0.520 0.889 0.500 CB 1.311 19 residues pruned to eliminate duplicates Z: 22 22.111 2.060 0.717 0.537 0.952 0.667 CB 1.381 22 residues pruned to eliminate duplicates Z: 22 21.521 2.080 0.817 0.543 1.000 0.667 CB 1.192 22 residues pruned to eliminate duplicates Z: 24 12.520 1.755 0.378 0.448 0.957 0.609 CB 1.191 24 residues pruned to eliminate duplicates Z: 23 13.261 1.920 0.615 0.447 0.864 0.636 CB 1.115 23 residues pruned to eliminate duplicates Z: 19 21.617 2.080 0.741 0.623 0.944 0.500 CB 1.326 20 residues pruned to eliminate duplicates Z: 7 7.554 1.701 0.912 0.432 0.833 0.500 CA 1.221 7 residues pruned to eliminate duplicates Z: 16 19.764 2.229 0.901 0.478 0.800 0.467 CA 1.539 16 residues pruned to eliminate duplicates Z: 35 28.714 2.122 0.853 0.537 0.882 0.471 CB 1.369 58 residues pruned to eliminate duplicates Z: 12 19.576 2.165 0.870 0.588 0.909 0.455 CA 1.474 12 residues pruned to eliminate duplicates Z: 62 52.090 2.165 0.951 0.659 0.951 0.590 CB 1.433 62 residues pruned to eliminate duplicates Z: 16 22.115 2.252 0.880 0.522 0.867 0.400 CB 1.523 16 residues pruned to eliminate duplicates Z: 38 24.993 2.037 0.862 0.519 0.865 0.459 CB 1.229 38 residues pruned to eliminate duplicates Z: 12 9.290 2.137 0.660 0.235 0.818 0.182 CB 1.313 12 residues pruned to eliminate duplicates Z: 23 9.584 1.990 0.285 0.319 0.773 0.364 CA 1.262 23 residues pruned to eliminate duplicates Z: 25 12.832 1.955 0.451 0.340 0.833 0.375 CB 1.319 25 residues pruned to eliminate duplicates Z: 99 55.035 2.102 0.824 0.585 0.918 0.541 CB 1.455 99 residues pruned to eliminate duplicates Z: 34 31.016 2.183 0.691 0.639 0.909 0.576 CB 1.413 34 residues pruned to eliminate duplicates Z: 26 21.516 2.093 0.481 0.569 0.920 0.680 CB 1.412 26 residues pruned to eliminate duplicates Z: 110 60.640 2.110 0.926 0.605 0.927 0.624 CB 1.396 110 residues pruned to eliminate duplicates Z: 108 63.809 2.139 0.982 0.608 0.916 0.636 CB 1.434 108 residues pruned to eliminate duplicates Z: 109 60.750 2.127 0.873 0.596 0.917 0.574 CB 1.461 109 residues pruned to eliminate duplicates Z: 49 41.429 2.153 0.838 0.699 0.917 0.604 CB 1.375 49 residues pruned to eliminate duplicates Z: 112 61.198 2.117 0.919 0.583 0.910 0.604 CB 1.451 120 residues pruned to eliminate duplicates Z: 13 18.572 2.134 0.522 0.885 0.917 0.667 CB 1.300 13 residues pruned to eliminate duplicates Z: 118 51.996 2.065 0.878 0.536 0.846 0.530 CB 1.414 118 residues pruned to eliminate duplicates Z: 47 39.445 2.151 0.673 0.726 0.957 0.652 CB 1.378 47 residues pruned to eliminate duplicates Z: 47 41.481 2.186 0.768 0.704 0.935 0.565 CB 1.406 47 residues pruned to eliminate duplicates Z: 107 64.487 2.141 0.911 0.615 0.962 0.585 CB 1.427 107 residues pruned to eliminate duplicates Z: 112 55.436 2.097 0.811 0.571 0.901 0.631 CB 1.437 112 residues pruned to eliminate duplicates Z: 47 39.610 2.161 0.798 0.711 0.891 0.609 CB 1.392 47 residues pruned to eliminate duplicates Z: 48 45.861 2.166 0.959 0.715 0.936 0.574 CB 1.386 48 residues pruned to eliminate duplicates Z: 48 43.306 2.164 0.901 0.731 0.915 0.532 CB 1.363 48 residues pruned to eliminate duplicates Z: 32 44.587 2.153 1.159 0.722 0.968 0.645 CB 1.457 32 residues pruned to eliminate duplicates Z: 108 61.808 2.144 0.880 0.605 0.935 0.626 CB 1.435 108 residues pruned to eliminate duplicates Z: 60 52.536 2.169 0.992 0.688 0.949 0.593 CB 1.404 60 residues pruned to eliminate duplicates Z: 85 54.675 2.138 0.789 0.665 0.940 0.583 CB 1.424 85 residues pruned to eliminate duplicates Z: 50 42.473 2.149 0.896 0.676 0.898 0.510 CB 1.410 50 residues pruned to eliminate duplicates Z: 113 62.895 2.115 0.867 0.593 0.938 0.509 CB 1.468 113 residues pruned to eliminate duplicates Z: 111 62.150 2.131 0.903 0.596 0.927 0.591 CB 1.437 111 residues pruned to eliminate duplicates Z: 110 62.725 2.123 0.960 0.603 0.917 0.587 CB 1.427 110 residues pruned to eliminate duplicates Z: 91 61.455 2.131 0.884 0.666 0.933 0.544 CB 1.482 91 residues pruned to eliminate duplicates Z: 97 54.318 2.109 0.877 0.601 0.906 0.562 CB 1.403 97 residues pruned to eliminate duplicates Z: 94 51.258 2.079 0.903 0.548 0.892 0.505 CB 1.436 94 residues pruned to eliminate duplicates Z: 88 52.955 2.113 0.854 0.617 0.920 0.575 CB 1.411 88 residues pruned to eliminate duplicates Z: 109 63.879 2.130 1.006 0.585 0.926 0.519 CB 1.432 109 residues pruned to eliminate duplicates Z: 66 53.422 2.107 1.000 0.710 0.923 0.615 CB 1.408 66 residues pruned to eliminate duplicates Z: 110 55.413 2.121 0.818 0.586 0.890 0.587 CB 1.425 110 residues pruned to eliminate duplicates Z: 111 62.254 2.117 0.889 0.608 0.945 0.582 CB 1.417 111 residues pruned to eliminate duplicates Z: 113 60.301 2.100 0.879 0.595 0.929 0.607 CB 1.420 113 residues pruned to eliminate duplicates Z: 82 56.845 2.113 0.940 0.662 0.938 0.593 CB 1.414 82 residues pruned to eliminate duplicates Z: 108 62.334 2.143 0.817 0.602 0.963 0.645 CB 1.458 108 residues pruned to eliminate duplicates Z: 85 54.629 2.123 0.821 0.669 0.929 0.655 CB 1.420 85 residues pruned to eliminate duplicates Z: 54 45.754 2.133 0.955 0.680 0.906 0.679 CB 1.411 54 residues pruned to eliminate duplicates Z: 82 50.534 2.102 0.720 0.559 0.963 0.642 CB 1.523 82 residues pruned to eliminate duplicates Z: 55 41.647 2.113 0.825 0.658 0.926 0.704 CB 1.370 55 residues pruned to eliminate duplicates Z: 127 64.730 2.130 0.838 0.580 0.944 0.548 CB 1.444 127 residues pruned to eliminate duplicates Z: 82 46.295 2.064 0.852 0.548 0.914 0.568 CB 1.406 82 residues pruned to eliminate duplicates Z: 37 37.778 2.141 0.849 0.694 0.944 0.722 CA 1.411 37 residues pruned to eliminate duplicates Z: 68 41.201 2.007 0.816 0.655 0.910 0.627 CB 1.312 68 residues pruned to eliminate duplicates Z: 54 34.194 2.055 0.788 0.605 0.811 0.679 CB 1.427 54 residues pruned to eliminate duplicates Z: 89 53.674 2.124 0.840 0.641 0.898 0.568 CB 1.429 89 residues pruned to eliminate duplicates Z: 53 38.256 2.127 0.743 0.657 0.885 0.673 CB 1.399 53 residues pruned to eliminate duplicates Z: 96 55.222 2.111 0.884 0.581 0.926 0.632 CB 1.423 96 residues pruned to eliminate duplicates Z: 38 35.721 2.072 0.906 0.610 0.892 0.568 CB 1.502 38 residues pruned to eliminate duplicates Z: 89 51.206 2.093 0.840 0.636 0.909 0.489 CB 1.373 89 residues pruned to eliminate duplicates Z: 37 34.351 2.092 0.850 0.596 0.917 0.556 CB 1.472 37 residues pruned to eliminate duplicates Z: 107 63.129 2.155 0.899 0.594 0.943 0.585 CB 1.452 111 residues pruned to eliminate duplicates Z: 14 15.776 1.854 0.553 0.816 0.923 0.769 CB 1.251 14 residues pruned to eliminate duplicates Z: 86 50.734 2.133 0.719 0.651 0.918 0.565 CB 1.420 86 residues pruned to eliminate duplicates Z: 112 57.570 2.099 0.831 0.586 0.937 0.523 CB 1.398 112 residues pruned to eliminate duplicates Z: 85 55.786 2.119 0.849 0.674 0.893 0.607 CB 1.482 85 residues pruned to eliminate duplicates Z: 94 54.149 2.120 0.849 0.571 0.935 0.624 CB 1.430 94 residues pruned to eliminate duplicates Z: 62 36.011 2.104 0.773 0.506 0.852 0.541 CB 1.441 62 residues pruned to eliminate duplicates Z: 69 47.787 2.082 0.841 0.684 0.926 0.662 CB 1.379 69 residues pruned to eliminate duplicates Z: 129 63.038 2.117 0.843 0.598 0.906 0.633 CB 1.435 129 residues pruned to eliminate duplicates Z: 51 40.214 2.083 0.873 0.612 0.900 0.600 CB 1.457 51 residues pruned to eliminate duplicates Z: 116 53.787 2.094 0.768 0.577 0.896 0.539 CB 1.404 116 residues pruned to eliminate duplicates Z: 109 59.213 2.143 0.831 0.590 0.907 0.593 CB 1.468 109 residues pruned to eliminate duplicates Z: 113 60.252 2.115 0.792 0.600 0.929 0.616 CB 1.471 108 residues pruned to eliminate duplicates Z: 16 17.004 1.891 0.449 0.688 0.933 0.733 CB 1.446 16 residues pruned to eliminate duplicates Z: 89 57.227 2.133 0.880 0.644 0.920 0.614 CB 1.445 89 residues pruned to eliminate duplicates Z: 32 23.447 1.961 0.727 0.455 0.871 0.452 CB 1.495 32 residues pruned to eliminate duplicates Z: 93 51.798 2.136 0.849 0.581 0.870 0.565 CB 1.455 93 residues pruned to eliminate duplicates Z: 85 55.211 2.100 0.876 0.676 0.917 0.655 CB 1.418 85 residues pruned to eliminate duplicates Z: 111 56.460 2.122 0.773 0.591 0.900 0.582 CB 1.458 111 residues pruned to eliminate duplicates Z: 115 58.966 2.100 0.883 0.569 0.912 0.588 CB 1.432 115 residues pruned to eliminate duplicates Z: 84 54.465 2.117 0.844 0.670 0.916 0.614 CB 1.429 84 residues pruned to eliminate duplicates Z: 32 37.994 2.111 0.947 0.672 0.968 0.645 CB 1.463 32 residues pruned to eliminate duplicates Z: 110 60.986 2.134 0.835 0.600 0.917 0.596 CB 1.478 110 residues pruned to eliminate duplicates Z: 121 58.433 2.129 0.844 0.557 0.892 0.575 CB 1.442 121 residues pruned to eliminate duplicates Z: 110 54.429 2.078 0.836 0.562 0.908 0.532 CB 1.417 110 residues pruned to eliminate duplicates Z: 95 49.541 2.081 0.858 0.514 0.894 0.596 CB 1.459 95 residues pruned to eliminate duplicates Z: 88 48.590 2.070 0.789 0.667 0.874 0.621 CB 1.380 88 residues pruned to eliminate duplicates Z: 64 44.443 2.072 0.785 0.530 0.952 0.556 CB 1.544 64 residues pruned to eliminate duplicates Z: 10 12.366 1.795 0.550 0.748 0.889 0.778 CA 1.335 10 residues pruned to eliminate duplicates Z: 95 56.491 2.113 0.922 0.573 0.904 0.521 CB 1.479 95 residues pruned to eliminate duplicates Z: 96 52.844 2.105 0.761 0.582 0.926 0.579 CB 1.460 96 residues pruned to eliminate duplicates Z: 30 30.336 2.150 0.937 0.396 0.931 0.552 CB 1.621 30 residues pruned to eliminate duplicates Z: 94 56.234 2.124 0.789 0.601 0.957 0.591 CB 1.457 94 residues pruned to eliminate duplicates Z: 106 57.692 2.130 0.851 0.593 0.905 0.610 CB 1.444 106 residues pruned to eliminate duplicates Z: 107 61.762 2.142 0.888 0.607 0.925 0.642 CB 1.450 107 residues pruned to eliminate duplicates Z: 108 64.388 2.139 0.942 0.607 0.935 0.542 CB 1.449 108 residues pruned to eliminate duplicates Z: 33 27.754 2.048 0.811 0.460 1.000 0.656 CB 1.379 33 residues pruned to eliminate duplicates Z: 6 5.558 1.631 0.592 0.430 0.800 0.400 C 1.287 6 residues pruned to eliminate duplicates Z: 34 26.192 2.017 0.884 0.447 0.939 0.636 CB 1.349 34 residues pruned to eliminate duplicates Z: 8 7.464 1.780 0.278 0.504 0.857 0.429 CA 1.441 8 residues pruned to eliminate duplicates Z: 93 58.073 2.128 0.813 0.598 0.957 0.663 CB 1.495 93 residues pruned to eliminate duplicates Z: 34 24.738 2.115 0.804 0.361 0.909 0.515 CB 1.441 34 residues pruned to eliminate duplicates Z: 60 41.822 2.091 0.763 0.499 0.949 0.508 CB 1.558 60 residues pruned to eliminate duplicates Z: 109 62.515 2.135 0.873 0.602 0.926 0.574 CB 1.474 109 residues pruned to eliminate duplicates Z: 65 43.569 2.085 0.752 0.508 0.938 0.500 CB 1.579 65 residues pruned to eliminate duplicates Z: 8 9.170 1.735 0.671 0.540 1.000 0.714 CA 1.150 8 residues pruned to eliminate duplicates Z: 114 57.450 2.103 0.815 0.597 0.903 0.522 CB 1.430 114 residues pruned to eliminate duplicates Z: 28 22.645 2.102 0.851 0.334 0.889 0.519 CB 1.511 28 residues pruned to eliminate duplicates Z: 31 28.025 2.112 0.932 0.405 0.900 0.533 CB 1.541 34 residues pruned to eliminate duplicates Z: 6 6.819 1.820 0.615 0.428 1.000 0.800 CA 1.118 6 residues pruned to eliminate duplicates Z: 110 57.995 2.127 0.799 0.593 0.908 0.642 CB 1.462 110 residues pruned to eliminate duplicates Z: 14 15.243 2.015 1.056 0.273 1.000 0.538 CB 1.320 14 residues pruned to eliminate duplicates Z: 34 29.534 2.078 0.953 0.402 0.939 0.515 CB 1.495 34 residues pruned to eliminate duplicates Z: 108 53.278 2.103 0.785 0.540 0.888 0.542 CB 1.487 108 residues pruned to eliminate duplicates Z: 17 14.261 1.864 0.852 0.319 0.938 0.500 CA 1.344 17 residues pruned to eliminate duplicates Z: 13 12.065 1.906 0.328 0.684 0.833 0.667 CB 1.394 13 residues pruned to eliminate duplicates Z: 11 13.594 1.914 0.666 0.700 0.900 0.300 CB 1.248 11 residues pruned to eliminate duplicates Z: 20 16.578 1.775 0.596 0.564 0.895 0.684 CB 1.410 20 residues pruned to eliminate duplicates Z: 15 17.000 1.876 0.750 0.673 0.857 0.714 CB 1.377 10 residues pruned to eliminate duplicates Z: 12 11.291 1.720 0.432 0.861 0.909 0.727 CB 1.117 12 residues pruned to eliminate duplicates Z: 13 12.109 1.918 0.609 0.642 0.833 0.583 CB 1.191 13 residues pruned to eliminate duplicates Z: 13 11.495 1.865 0.568 0.623 0.833 0.500 CB 1.213 13 residues pruned to eliminate duplicates Z: 20 12.463 1.812 0.353 0.593 0.895 0.632 CB 1.193 20 residues pruned to eliminate duplicates Z: 13 10.311 1.933 0.234 0.687 0.833 0.833 CB 1.261 13 residues pruned to eliminate duplicates Z: 19 13.184 1.906 0.385 0.585 0.889 0.833 CB 1.220 19 residues pruned to eliminate duplicates Z: 16 10.426 1.853 0.236 0.565 0.933 0.667 CB 1.183 16 residues pruned to eliminate duplicates Z: 16 9.894 1.850 0.186 0.553 0.933 0.733 CB 1.185 16 residues pruned to eliminate duplicates Z: 20 12.142 1.873 0.454 0.595 0.789 0.579 CB 1.184 21 residues pruned to eliminate duplicates 380 residues left after pruning, divided into chains as follows: A: 8 B: 55 C: 118 D: 8 E: 12 F: 142 G: 37 CC for partial structure against native data = 39.07 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.467, Connect. = 0.695 for dens.mod. cycle 1 = 0.303, Contrast = 0.533, Connect. = 0.721 for dens.mod. cycle 2 = 0.303, Contrast = 0.638, Connect. = 0.759 for dens.mod. cycle 3 = 0.303, Contrast = 0.644, Connect. = 0.760 for dens.mod. cycle 4 = 0.303, Contrast = 0.655, Connect. = 0.763 for dens.mod. cycle 5 = 0.303, Contrast = 0.659, Connect. = 0.764 for dens.mod. cycle 6 = 0.303, Contrast = 0.664, Connect. = 0.766 for dens.mod. cycle 7 = 0.303, Contrast = 0.666, Connect. = 0.767 for dens.mod. cycle 8 TimeTaking 142.35