null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:38:36 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.ins Phases from ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.phi Native data from ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.hkl Listing output to ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.lst Phases output to ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.phs Poly-Ala trace output to ./1vlo-1.7-parrot-noncs/1vlo-1.7-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 21 21 21 Allowed origin shift code: 4 38281 Reflections read from file ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.phi 38281 Reflections read from file ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.hkl 38281 Unique data, highest resolution = 1.701 Angstroms Anisotropic scaling: intensities multiplied by 0.000173h^2 -0.000358k^2 +0.000126l^2 +0.000000kl +0.000000hl +0.000000hk 182 Reflections with d > 1.901 and 0 in range 1.901 > d > 1.701 added Density sharpening factor set to 1.20 Fourier grid = 128 x 128 x 52 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.726 = 0.273, Contrast = 0.053, Connect. = 0.538 for dens.mod. cycle 1 = 0.288, Contrast = 0.198, Connect. = 0.599 for dens.mod. cycle 2 = 0.300, Contrast = 0.337, Connect. = 0.692 for dens.mod. cycle 3 = 0.300, Contrast = 0.390, Connect. = 0.721 for dens.mod. cycle 4 = 0.300, Contrast = 0.428, Connect. = 0.740 for dens.mod. cycle 5 = 0.300, Contrast = 0.452, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.467, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.479, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.488, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.494, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2429 peaks > 0.5 sigma used to seed fragment search Space for about 388 unique residues taking solvent into account 489 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 25.331 2.124 1.040 0.838 0.833 0.667 CB 1.513 B: 20 26.627 2.104 0.727 0.752 0.947 0.526 CB 1.417 C: 14 20.890 1.958 0.698 0.803 0.923 0.769 CB 1.448 D: 13 25.056 2.093 1.078 0.887 1.000 0.583 CB 1.199 E: 14 24.039 1.923 0.775 0.846 1.000 0.769 CB 1.450 13 residues pruned to eliminate duplicates F: 14 26.156 2.141 0.966 0.884 0.923 0.692 CB 1.349 13 residues pruned to eliminate duplicates G: 14 24.932 2.150 1.274 0.856 0.846 0.538 CB 1.232 14 residues pruned to eliminate duplicates H: 13 24.543 2.030 1.085 0.784 1.000 0.667 CB 1.303 14 residues pruned to eliminate duplicates I: 72 48.131 2.041 0.942 0.665 0.944 0.746 CB 1.310 J: 16 29.481 2.047 1.261 0.918 0.933 0.733 CB 1.243 15 residues pruned to eliminate duplicates K: 14 28.921 2.134 1.337 0.878 0.923 0.769 CB 1.264 14 residues pruned to eliminate duplicates L: 43 44.824 2.129 1.147 0.683 0.929 0.619 CB 1.378 35 residues pruned to eliminate duplicates M: 12 23.829 2.126 0.769 0.818 1.000 0.545 CB 1.450 12 residues pruned to eliminate duplicates N: 19 17.849 1.963 0.598 0.567 0.944 0.667 CB 1.330 19 residues pruned to eliminate duplicates O: 22 19.889 1.971 0.673 0.572 0.952 0.714 CB 1.289 22 residues pruned to eliminate duplicates P: 23 25.108 2.084 1.017 0.517 0.955 0.591 CB 1.312 23 residues pruned to eliminate duplicates Q: 14 23.052 2.126 1.148 0.847 0.846 0.692 CB 1.229 14 residues pruned to eliminate duplicates R: 78 36.524 2.095 0.848 0.467 0.870 0.455 CB 1.278 43 residues pruned to eliminate duplicates S: 26 22.229 2.079 0.922 0.468 0.920 0.760 CB 1.249 T: 65 39.145 2.155 0.835 0.571 0.859 0.578 CB 1.345 66 residues pruned to eliminate duplicates U: 12 22.966 2.091 0.542 0.928 1.000 1.000 CB 1.504 12 residues pruned to eliminate duplicates V: 13 21.304 1.921 1.001 0.831 0.917 0.667 CB 1.311 W: 54 38.186 2.038 0.860 0.619 0.925 0.623 CB 1.338 54 residues pruned to eliminate duplicates X: 40 28.141 1.946 0.762 0.579 0.949 0.513 CB 1.283 40 residues pruned to eliminate duplicates Y: 10 19.371 2.052 0.790 0.846 1.000 0.889 CA 1.306 10 residues pruned to eliminate duplicates Z: 12 42.925 2.354 1.484 0.912 1.000 0.727 CB 1.568 12 residues pruned to eliminate duplicates Z: 25 20.554 1.960 0.885 0.483 0.875 0.625 CB 1.320 13 residues pruned to eliminate duplicates Z: 49 33.724 2.037 0.875 0.561 0.896 0.625 CB 1.341 30 residues pruned to eliminate duplicates Z: 11 21.614 2.045 0.820 0.923 1.000 1.000 CA 1.291 11 residues pruned to eliminate duplicates Z: 13 31.224 2.077 0.978 0.909 1.000 1.000 CB 1.557 13 residues pruned to eliminate duplicates Z: 16 25.258 1.981 0.697 0.804 1.000 0.667 CB 1.488 16 residues pruned to eliminate duplicates Z: 13 24.552 1.917 0.986 0.875 1.000 0.750 CA 1.355 13 residues pruned to eliminate duplicates Z: 9 13.722 1.783 1.036 0.700 1.000 0.875 CB 1.114 9 residues pruned to eliminate duplicates Z: 44 32.710 2.173 0.940 0.445 0.884 0.512 CB 1.417 44 residues pruned to eliminate duplicates Z: 98 45.528 2.002 0.846 0.560 0.938 0.598 CB 1.257 88 residues pruned to eliminate duplicates Z: 14 27.883 2.049 1.519 0.889 0.923 0.462 CB 1.169 14 residues pruned to eliminate duplicates Z: 13 17.261 1.921 0.422 0.891 1.000 0.917 CA 1.311 14 residues pruned to eliminate duplicates Z: 26 15.255 1.957 0.787 0.441 0.840 0.600 CB 1.103 26 residues pruned to eliminate duplicates Z: 75 43.937 2.012 0.886 0.641 0.919 0.689 CB 1.284 75 residues pruned to eliminate duplicates Z: 16 28.960 2.082 1.124 0.832 0.933 0.667 CB 1.359 16 residues pruned to eliminate duplicates Z: 22 18.083 2.024 0.765 0.418 0.905 0.381 CB 1.330 Z: 16 17.728 1.891 0.542 0.807 0.933 0.800 CB 1.287 16 residues pruned to eliminate duplicates Z: 13 24.142 1.961 1.017 0.807 1.000 0.667 CB 1.349 13 residues pruned to eliminate duplicates Z: 15 26.745 2.184 0.942 0.868 0.929 0.857 CB 1.327 15 residues pruned to eliminate duplicates Z: 31 34.739 2.160 0.946 0.598 0.933 0.600 CB 1.473 39 residues pruned to eliminate duplicates Z: 17 19.685 1.880 0.461 0.847 1.000 0.688 CB 1.330 17 residues pruned to eliminate duplicates Z: 11 21.311 1.951 0.928 0.859 1.000 0.600 CB 1.318 11 residues pruned to eliminate duplicates Z: 14 30.323 2.166 1.378 0.825 0.923 0.692 CB 1.335 14 residues pruned to eliminate duplicates Z: 9 10.855 1.859 0.792 0.495 1.000 0.750 CB 1.157 9 residues pruned to eliminate duplicates Z: 20 12.802 1.976 0.453 0.354 0.895 0.579 CB 1.339 20 residues pruned to eliminate duplicates Z: 12 22.465 1.908 1.013 0.890 1.000 0.636 CA 1.268 13 residues pruned to eliminate duplicates Z: 12 17.802 1.900 0.713 0.846 1.000 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 14 9.396 1.789 0.721 0.446 0.769 0.308 CB 1.163 Z: 22 18.051 1.947 1.048 0.370 0.952 0.571 CB 1.192 22 residues pruned to eliminate duplicates Z: 19 16.328 1.794 0.720 0.532 0.944 0.778 CB 1.280 18 residues pruned to eliminate duplicates Z: 16 21.070 1.967 0.605 0.836 0.933 0.533 CB 1.382 16 residues pruned to eliminate duplicates Z: 10 6.126 1.819 0.452 0.439 0.889 0.444 CB 0.926 5 residues pruned to eliminate duplicates Z: 56 37.861 2.004 0.930 0.608 0.927 0.691 CB 1.284 52 residues pruned to eliminate duplicates Z: 139 56.882 2.024 0.915 0.577 0.928 0.623 CB 1.251 147 residues pruned to eliminate duplicates Z: 13 20.507 1.952 0.698 0.853 1.000 0.833 CB 1.320 13 residues pruned to eliminate duplicates Z: 13 18.403 1.940 0.826 0.769 0.917 0.667 CB 1.290 13 residues pruned to eliminate duplicates Z: 13 22.061 1.890 0.835 0.889 1.000 0.917 CB 1.322 13 residues pruned to eliminate duplicates Z: 13 19.826 1.986 0.671 0.869 0.917 0.583 CB 1.374 13 residues pruned to eliminate duplicates Z: 66 44.079 2.150 0.880 0.572 0.923 0.538 CB 1.367 66 residues pruned to eliminate duplicates Z: 21 12.917 2.041 0.854 0.399 0.750 0.450 CB 1.132 21 residues pruned to eliminate duplicates Z: 33 29.787 2.006 0.891 0.651 0.875 0.656 CB 1.378 33 residues pruned to eliminate duplicates Z: 7 6.688 1.717 0.532 0.635 1.000 0.667 CB 0.914 7 residues pruned to eliminate duplicates Z: 12 20.339 1.884 0.856 0.818 0.909 0.727 CA 1.464 12 residues pruned to eliminate duplicates Z: 20 18.441 1.870 0.982 0.767 0.842 0.684 CB 1.070 20 residues pruned to eliminate duplicates Z: 10 10.958 1.652 0.341 0.884 1.000 0.889 CB 1.191 Z: 9 14.758 1.964 1.059 0.592 0.875 0.750 CB 1.350 Z: 49 42.059 2.127 0.971 0.614 0.917 0.604 CB 1.419 49 residues pruned to eliminate duplicates Z: 17 12.721 1.993 0.799 0.517 0.812 0.375 CB 1.074 17 residues pruned to eliminate duplicates Z: 14 33.082 2.151 1.241 0.919 1.000 0.769 CB 1.341 14 residues pruned to eliminate duplicates Z: 7 10.430 1.902 0.552 0.744 1.000 0.833 CB 1.159 7 residues pruned to eliminate duplicates Z: 23 12.355 1.908 0.657 0.400 0.864 0.545 CB 1.071 23 residues pruned to eliminate duplicates Z: 19 26.457 1.937 1.026 0.754 0.944 0.611 CB 1.342 19 residues pruned to eliminate duplicates Z: 24 36.909 2.085 0.960 0.840 0.957 0.565 CB 1.469 24 residues pruned to eliminate duplicates Z: 65 51.394 2.176 1.073 0.586 0.953 0.500 CB 1.375 64 residues pruned to eliminate duplicates Z: 54 38.853 2.036 0.845 0.633 0.943 0.585 CB 1.329 54 residues pruned to eliminate duplicates Z: 6 4.143 1.742 0.280 0.582 0.600 0.400 CA 1.280 6 residues pruned to eliminate duplicates Z: 7 2.402 1.600 0.323 0.250 0.667 0.667 CA 0.927 7 residues pruned to eliminate duplicates Z: 49 38.337 2.076 0.905 0.522 0.958 0.604 CB 1.429 49 residues pruned to eliminate duplicates Z: 50 38.919 2.048 0.952 0.557 0.939 0.612 CB 1.402 50 residues pruned to eliminate duplicates Z: 10 18.295 1.993 0.724 0.801 1.000 0.556 CB 1.364 10 residues pruned to eliminate duplicates Z: 20 23.245 1.845 0.998 0.808 0.947 0.895 CB 1.167 20 residues pruned to eliminate duplicates Z: 10 17.733 2.019 0.583 0.807 1.000 0.778 CB 1.416 10 residues pruned to eliminate duplicates Z: 11 18.620 1.956 0.871 0.748 0.900 0.600 CA 1.432 11 residues pruned to eliminate duplicates Z: 48 30.849 2.030 0.861 0.461 0.872 0.532 CB 1.421 48 residues pruned to eliminate duplicates Z: 49 21.530 2.007 0.614 0.449 0.875 0.458 CB 1.155 49 residues pruned to eliminate duplicates Z: 8 8.408 1.714 0.745 0.593 1.000 0.714 CB 0.972 8 residues pruned to eliminate duplicates Z: 37 27.263 2.001 0.789 0.596 0.889 0.500 CB 1.303 37 residues pruned to eliminate duplicates Z: 21 17.892 2.067 1.004 0.379 0.850 0.450 CB 1.293 21 residues pruned to eliminate duplicates Z: 20 23.369 1.831 0.904 0.798 0.947 0.737 CB 1.250 20 residues pruned to eliminate duplicates Z: 20 24.175 1.878 0.826 0.811 0.947 0.579 CA 1.302 20 residues pruned to eliminate duplicates Z: 9 4.686 1.758 0.677 0.442 0.625 0.375 CB 0.955 9 residues pruned to eliminate duplicates Z: 13 25.483 2.205 1.005 0.862 0.917 0.833 CB 1.333 13 residues pruned to eliminate duplicates Z: 22 20.183 2.147 0.906 0.412 0.905 0.476 CB 1.304 22 residues pruned to eliminate duplicates Z: 9 2.139 1.454 0.208 0.275 0.750 0.500 CB 0.741 9 residues pruned to eliminate duplicates Z: 14 21.973 2.044 0.648 0.868 1.000 0.846 CB 1.322 14 residues pruned to eliminate duplicates Z: 18 12.557 1.717 0.810 0.562 0.824 0.471 CB 1.121 18 residues pruned to eliminate duplicates Z: 8 5.049 2.044 0.451 0.355 0.714 0.571 CB 1.054 8 residues pruned to eliminate duplicates Z: 11 18.836 2.034 1.431 0.594 1.000 0.700 CB 1.101 9 residues pruned to eliminate duplicates Z: 6 14.476 1.883 1.037 0.694 1.000 1.000 C 1.413 Z: 21 22.853 1.779 0.930 0.791 0.950 0.750 CA 1.214 21 residues pruned to eliminate duplicates Z: 11 20.818 2.086 0.717 0.818 1.000 0.800 CB 1.395 11 residues pruned to eliminate duplicates Z: 14 18.101 1.797 0.726 0.846 1.000 0.846 CB 1.202 14 residues pruned to eliminate duplicates Z: 11 22.477 2.065 0.555 0.857 1.000 0.900 CB 1.631 11 residues pruned to eliminate duplicates Z: 10 14.377 1.980 0.519 0.822 0.889 0.444 CB 1.356 10 residues pruned to eliminate duplicates Z: 28 35.068 2.153 1.035 0.701 0.926 0.667 CB 1.385 28 residues pruned to eliminate duplicates Z: 11 8.911 1.886 0.546 0.435 0.900 0.600 CB 1.149 Z: 25 19.145 2.055 0.822 0.358 0.875 0.542 CB 1.390 25 residues pruned to eliminate duplicates Z: 11 10.917 1.887 0.336 0.721 0.900 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 10 9.331 1.900 0.617 0.275 0.889 0.333 CB 1.470 10 residues pruned to eliminate duplicates Z: 14 19.696 2.053 0.644 0.861 0.846 0.692 CB 1.406 14 residues pruned to eliminate duplicates Z: 32 33.534 2.173 1.023 0.605 0.968 0.677 CB 1.282 32 residues pruned to eliminate duplicates Z: 10 10.984 1.830 0.715 0.540 0.889 0.667 CB 1.261 10 residues pruned to eliminate duplicates Z: 36 25.360 1.958 0.894 0.550 0.914 0.600 CB 1.205 36 residues pruned to eliminate duplicates Z: 20 25.739 1.923 0.857 0.815 1.000 0.737 CB 1.258 20 residues pruned to eliminate duplicates Z: 13 18.513 1.894 0.447 0.915 1.000 0.917 CB 1.379 13 residues pruned to eliminate duplicates Z: 11 14.618 2.145 0.625 0.423 1.000 0.600 CB 1.438 11 residues pruned to eliminate duplicates Z: 8 8.332 1.821 0.501 0.533 0.857 0.714 CA 1.301 8 residues pruned to eliminate duplicates Z: 20 23.071 2.086 0.913 0.548 1.000 0.632 CB 1.266 20 residues pruned to eliminate duplicates Z: 7 5.224 1.884 0.658 0.224 0.833 0.667 CB 1.132 7 residues pruned to eliminate duplicates Z: 15 19.072 1.912 0.439 0.904 1.000 1.000 CB 1.320 15 residues pruned to eliminate duplicates Z: 22 21.115 1.929 0.933 0.691 0.905 0.619 CB 1.146 22 residues pruned to eliminate duplicates Z: 21 9.482 1.724 0.540 0.433 0.800 0.450 CB 1.070 21 residues pruned to eliminate duplicates Z: 54 37.720 1.951 0.914 0.630 0.925 0.679 CB 1.328 54 residues pruned to eliminate duplicates Z: 13 22.792 2.060 0.860 0.813 1.000 0.750 CB 1.308 13 residues pruned to eliminate duplicates Z: 7 11.707 1.823 0.660 0.862 1.000 0.833 CB 1.160 7 residues pruned to eliminate duplicates Z: 12 19.561 1.845 0.789 0.779 1.000 0.636 CB 1.397 12 residues pruned to eliminate duplicates Z: 20 22.951 1.850 0.715 0.783 1.000 0.632 CB 1.293 20 residues pruned to eliminate duplicates Z: 44 35.971 2.046 0.916 0.675 0.907 0.628 CB 1.313 44 residues pruned to eliminate duplicates Z: 23 15.483 1.874 0.582 0.381 0.864 0.545 CA 1.463 Z: 9 13.002 1.810 0.797 0.828 1.000 0.625 CB 1.064 9 residues pruned to eliminate duplicates Z: 14 21.356 2.075 0.792 0.836 0.923 0.308 CB 1.292 14 residues pruned to eliminate duplicates Z: 18 16.814 1.764 0.459 0.865 0.941 0.647 CB 1.233 18 residues pruned to eliminate duplicates Z: 17 18.869 2.070 0.698 0.485 0.938 0.625 CB 1.453 17 residues pruned to eliminate duplicates Z: 47 31.341 2.105 0.782 0.502 0.891 0.609 CB 1.380 47 residues pruned to eliminate duplicates Z: 17 19.246 1.888 0.602 0.825 0.938 0.812 CB 1.281 17 residues pruned to eliminate duplicates Z: 11 12.976 1.949 0.987 0.521 1.000 0.700 CB 1.038 12 residues pruned to eliminate duplicates Z: 6 10.296 1.718 0.871 0.793 1.000 0.800 CB 1.108 6 residues pruned to eliminate duplicates Z: 72 39.071 2.087 0.737 0.509 0.901 0.620 CB 1.406 72 residues pruned to eliminate duplicates Z: 13 18.115 1.970 0.849 0.695 0.917 0.750 CB 1.310 10 residues pruned to eliminate duplicates Z: 48 33.426 2.016 0.950 0.601 0.851 0.553 CB 1.323 48 residues pruned to eliminate duplicates Z: 18 22.134 1.911 0.936 0.849 0.882 0.529 CB 1.219 18 residues pruned to eliminate duplicates Z: 12 12.002 1.911 0.423 0.574 0.909 0.636 CB 1.363 12 residues pruned to eliminate duplicates Z: 13 12.512 1.934 0.451 0.810 0.917 0.583 CB 1.072 13 residues pruned to eliminate duplicates Z: 20 29.504 1.915 0.998 0.846 1.000 0.579 CB 1.315 20 residues pruned to eliminate duplicates Z: 11 11.957 2.082 0.551 0.437 0.900 0.700 CB 1.389 11 residues pruned to eliminate duplicates Z: 27 22.915 1.975 0.858 0.563 0.846 0.615 CB 1.362 27 residues pruned to eliminate duplicates Z: 14 14.802 1.974 0.907 0.388 1.000 0.846 CA 1.227 14 residues pruned to eliminate duplicates Z: 17 17.181 1.874 0.262 0.886 1.000 0.938 CB 1.310 17 residues pruned to eliminate duplicates Z: 25 12.937 1.899 0.591 0.371 0.833 0.458 CB 1.205 29 residues pruned to eliminate duplicates Z: 13 13.107 2.022 0.882 0.392 0.833 0.500 CB 1.338 13 residues pruned to eliminate duplicates Z: 8 8.705 1.682 0.794 0.637 0.857 0.429 CA 1.119 7 residues pruned to eliminate duplicates Z: 9 10.687 1.811 0.821 0.775 0.875 0.750 CB 1.027 9 residues pruned to eliminate duplicates Z: 8 13.162 1.820 0.839 0.878 1.000 0.571 CB 1.078 8 residues pruned to eliminate duplicates Z: 10 7.979 1.881 0.756 0.465 0.778 0.333 CB 1.073 10 residues pruned to eliminate duplicates Z: 15 10.796 1.807 0.529 0.369 0.929 0.500 CB 1.293 15 residues pruned to eliminate duplicates Z: 14 17.266 1.867 0.695 0.767 0.923 0.846 CB 1.294 14 residues pruned to eliminate duplicates Z: 11 8.442 1.864 0.459 0.469 0.800 0.700 CB 1.266 11 residues pruned to eliminate duplicates Z: 45 31.063 2.057 0.914 0.514 0.886 0.477 CB 1.323 41 residues pruned to eliminate duplicates Z: 15 19.042 2.063 0.793 0.719 0.857 0.714 CB 1.316 15 residues pruned to eliminate duplicates Z: 32 22.221 2.013 0.751 0.555 0.871 0.581 CB 1.232 32 residues pruned to eliminate duplicates Z: 8 8.820 1.789 0.760 0.663 0.857 0.714 CB 1.062 8 residues pruned to eliminate duplicates Z: 19 13.317 1.620 0.985 0.506 0.833 0.500 CA 1.164 19 residues pruned to eliminate duplicates Z: 15 13.850 2.081 0.716 0.364 0.857 0.500 CA 1.400 15 residues pruned to eliminate duplicates Z: 59 35.733 2.098 0.917 0.534 0.845 0.707 CB 1.336 59 residues pruned to eliminate duplicates Z: 53 38.107 2.112 0.935 0.517 0.885 0.615 CB 1.438 53 residues pruned to eliminate duplicates Z: 14 33.588 2.192 1.043 0.912 1.000 0.923 CB 1.474 14 residues pruned to eliminate duplicates Z: 12 5.690 1.788 0.282 0.353 0.909 0.455 CB 0.965 12 residues pruned to eliminate duplicates Z: 24 15.760 1.936 0.801 0.432 0.870 0.609 CB 1.163 24 residues pruned to eliminate duplicates Z: 7 10.497 1.797 0.290 0.869 1.000 0.833 CB 1.350 7 residues pruned to eliminate duplicates 6 1.558 1.125 0.143 0.305 1.000 0.600 C 0.674 ? Z: 35 24.832 2.005 0.757 0.577 0.912 0.618 CB 1.231 35 residues pruned to eliminate duplicates Z: 40 28.531 1.925 0.971 0.578 0.949 0.641 CB 1.178 40 residues pruned to eliminate duplicates Z: 9 7.320 1.785 0.465 0.826 0.750 0.750 CB 0.995 9 residues pruned to eliminate duplicates Z: 17 24.802 1.962 0.920 0.867 0.938 0.438 CB 1.285 17 residues pruned to eliminate duplicates Z: 24 34.374 2.021 1.170 0.753 0.957 0.783 CB 1.364 24 residues pruned to eliminate duplicates Z: 20 23.630 1.922 0.897 0.802 0.947 0.474 CB 1.205 20 residues pruned to eliminate duplicates Z: 15 21.273 1.934 0.971 0.869 0.857 0.571 CB 1.271 15 residues pruned to eliminate duplicates Z: 22 18.330 2.014 0.756 0.566 0.905 0.571 CB 1.173 22 residues pruned to eliminate duplicates Z: 25 15.515 2.002 0.791 0.351 0.792 0.500 CB 1.312 25 residues pruned to eliminate duplicates Z: 24 21.865 2.029 0.978 0.405 0.913 0.696 CB 1.375 24 residues pruned to eliminate duplicates Z: 36 21.467 2.065 0.632 0.510 0.829 0.629 CB 1.287 36 residues pruned to eliminate duplicates Z: 48 36.281 1.997 0.832 0.637 0.957 0.723 CB 1.329 48 residues pruned to eliminate duplicates Z: 30 23.890 2.002 0.788 0.500 0.931 0.586 CB 1.331 30 residues pruned to eliminate duplicates Z: 27 14.846 1.854 0.779 0.320 0.846 0.731 CB 1.273 27 residues pruned to eliminate duplicates Z: 15 23.705 2.005 0.859 0.896 1.000 0.714 CB 1.217 15 residues pruned to eliminate duplicates Z: 7 4.275 1.660 0.682 0.317 0.667 0.500 CB 1.148 7 residues pruned to eliminate duplicates Z: 6 7.634 1.921 0.797 0.468 0.800 0.600 CB 1.277 6 residues pruned to eliminate duplicates Z: 56 40.561 1.976 0.907 0.614 0.964 0.600 CB 1.352 56 residues pruned to eliminate duplicates Z: 23 15.245 1.935 0.689 0.452 0.864 0.409 CB 1.209 23 residues pruned to eliminate duplicates Z: 6 3.992 1.527 0.035 0.684 0.800 0.600 CA 1.193 6 residues pruned to eliminate duplicates Z: 11 13.625 1.871 0.487 0.665 1.000 0.700 CB 1.329 11 residues pruned to eliminate duplicates Z: 62 46.865 2.032 0.983 0.685 0.951 0.721 CB 1.322 62 residues pruned to eliminate duplicates Z: 10 13.205 1.980 0.898 0.486 0.889 0.667 CB 1.336 10 residues pruned to eliminate duplicates Z: 6 4.894 1.689 0.484 0.799 0.800 0.400 CA 0.840 6 residues pruned to eliminate duplicates Z: 7 2.330 1.389 0.826 0.260 0.833 0.667 CB 0.592 Z: 22 12.659 1.908 0.698 0.381 0.810 0.524 CB 1.195 22 residues pruned to eliminate duplicates Z: 6 2.500 1.664 -0.126 0.521 0.600 0.400 CB 1.255 6 residues pruned to eliminate duplicates Z: 9 10.454 1.665 0.973 0.621 0.875 0.500 CA 1.147 9 residues pruned to eliminate duplicates Z: 13 15.346 1.846 1.007 0.857 0.917 0.667 CB 0.961 13 residues pruned to eliminate duplicates Z: 9 11.107 1.816 0.433 0.706 1.000 0.375 CB 1.252 9 residues pruned to eliminate duplicates Z: 12 20.903 2.041 0.613 0.926 1.000 0.909 CB 1.343 12 residues pruned to eliminate duplicates Z: 110 49.819 2.011 0.861 0.554 0.936 0.615 CB 1.293 110 residues pruned to eliminate duplicates Z: 28 20.700 2.002 1.029 0.373 0.852 0.519 CB 1.318 30 residues pruned to eliminate duplicates Z: 11 15.712 1.882 0.629 0.710 1.000 0.600 CB 1.339 11 residues pruned to eliminate duplicates Z: 49 36.190 2.071 0.966 0.512 0.896 0.646 CB 1.415 49 residues pruned to eliminate duplicates Z: 6 6.023 1.756 0.802 0.564 1.000 0.200 CB 0.801 6 residues pruned to eliminate duplicates Z: 11 7.403 1.776 0.588 0.515 0.800 0.700 CA 1.022 11 residues pruned to eliminate duplicates Z: 41 30.665 1.930 0.804 0.593 0.975 0.600 CB 1.307 41 residues pruned to eliminate duplicates Z: 16 23.613 1.964 0.688 0.832 1.000 0.533 CB 1.381 16 residues pruned to eliminate duplicates Z: 10 19.329 1.975 0.616 0.909 1.000 0.889 CB 1.432 10 residues pruned to eliminate duplicates Z: 13 21.517 1.919 0.695 0.909 1.000 0.917 CB 1.355 13 residues pruned to eliminate duplicates Z: 19 9.617 1.895 0.647 0.415 0.722 0.556 CB 1.099 19 residues pruned to eliminate duplicates Z: 20 22.456 2.064 0.882 0.540 1.000 0.526 CA 1.275 20 residues pruned to eliminate duplicates Z: 48 22.560 1.995 0.849 0.480 0.851 0.574 CB 1.070 48 residues pruned to eliminate duplicates Z: 30 21.496 1.887 0.709 0.525 0.897 0.586 CB 1.347 30 residues pruned to eliminate duplicates 7 1.671 1.351 0.209 0.259 0.500 0.333 CA 1.101 ? Z: 27 28.455 2.026 1.011 0.668 0.885 0.692 CB 1.325 27 residues pruned to eliminate duplicates Z: 20 28.454 1.922 1.126 0.837 0.947 0.737 CB 1.261 20 residues pruned to eliminate duplicates Z: 24 24.515 2.028 0.777 0.700 0.913 0.696 CB 1.295 24 residues pruned to eliminate duplicates Z: 43 25.745 1.913 0.882 0.521 0.905 0.619 CB 1.194 43 residues pruned to eliminate duplicates Z: 9 9.774 1.782 0.620 0.845 0.875 0.750 CB 1.017 9 residues pruned to eliminate duplicates Z: 14 23.887 2.050 1.310 0.837 0.923 0.538 CB 1.133 14 residues pruned to eliminate duplicates Z: 9 10.034 1.898 0.604 0.536 1.000 0.875 CB 1.125 9 residues pruned to eliminate duplicates Z: 102 43.098 2.021 0.820 0.536 0.891 0.554 CB 1.263 102 residues pruned to eliminate duplicates Z: 85 46.049 2.006 0.939 0.602 0.940 0.679 CB 1.246 85 residues pruned to eliminate duplicates Z: 8 9.769 1.987 0.014 0.805 1.000 0.571 CB 1.403 8 residues pruned to eliminate duplicates Z: 10 10.010 1.811 0.501 0.504 0.889 0.778 CA 1.376 10 residues pruned to eliminate duplicates Z: 30 25.595 2.090 0.951 0.563 0.931 0.586 CB 1.178 30 residues pruned to eliminate duplicates Z: 12 23.650 1.958 0.839 0.890 1.000 0.909 CA 1.425 12 residues pruned to eliminate duplicates Z: 56 34.641 1.984 0.838 0.553 0.964 0.491 CB 1.261 56 residues pruned to eliminate duplicates Z: 7 7.341 1.663 0.475 0.649 0.833 0.500 CA 1.276 7 residues pruned to eliminate duplicates Z: 48 36.894 2.080 0.973 0.561 0.915 0.617 CB 1.351 48 residues pruned to eliminate duplicates Z: 21 28.186 1.873 1.126 0.842 0.950 0.750 CB 1.241 21 residues pruned to eliminate duplicates Z: 29 33.301 2.073 1.051 0.709 0.857 0.750 CB 1.429 29 residues pruned to eliminate duplicates Z: 6 5.397 1.792 0.701 0.528 0.600 0.600 CA 1.284 6 residues pruned to eliminate duplicates Z: 10 19.232 1.948 0.802 0.832 1.000 0.778 CB 1.372 10 residues pruned to eliminate duplicates Z: 7 4.309 1.354 0.654 0.502 0.833 0.333 C 0.940 Z: 30 28.277 1.980 0.936 0.647 0.966 0.655 CB 1.236 30 residues pruned to eliminate duplicates Z: 19 27.673 1.969 0.972 0.851 0.944 0.667 CB 1.316 19 residues pruned to eliminate duplicates Z: 11 11.992 1.919 0.453 0.667 0.900 0.700 CB 1.295 11 residues pruned to eliminate duplicates Z: 7 6.253 1.796 0.462 0.486 0.833 0.500 CB 1.183 Z: 19 23.433 1.923 0.749 0.808 0.944 0.611 CB 1.329 19 residues pruned to eliminate duplicates Z: 10 16.237 1.881 0.560 0.864 1.000 0.556 CB 1.352 10 residues pruned to eliminate duplicates Z: 56 41.797 2.104 0.970 0.580 0.891 0.636 CB 1.413 56 residues pruned to eliminate duplicates Z: 51 40.007 2.102 0.997 0.576 0.900 0.620 CB 1.391 51 residues pruned to eliminate duplicates Z: 21 25.271 1.821 0.923 0.796 1.000 0.750 CB 1.244 21 residues pruned to eliminate duplicates Z: 20 17.211 1.839 0.898 0.657 0.842 0.579 CB 1.161 20 residues pruned to eliminate duplicates Z: 17 12.405 1.660 0.873 0.418 0.812 0.500 CB 1.338 52 residues pruned to eliminate duplicates Z: 42 35.935 1.979 0.906 0.651 0.976 0.634 CB 1.325 42 residues pruned to eliminate duplicates Z: 18 9.578 1.790 0.542 0.370 0.765 0.529 CB 1.266 18 residues pruned to eliminate duplicates Z: 9 7.674 1.562 0.617 0.458 1.000 0.750 CB 1.121 Z: 24 30.776 2.018 0.761 0.855 1.000 0.783 CB 1.333 24 residues pruned to eliminate duplicates Z: 9 3.149 1.543 0.265 0.279 0.875 0.500 CB 0.837 Z: 9 13.765 1.729 0.851 0.918 1.000 0.875 CB 1.073 9 residues pruned to eliminate duplicates Z: 12 13.662 1.993 0.857 0.469 0.909 0.545 CA 1.264 12 residues pruned to eliminate duplicates Z: 14 7.489 1.584 0.289 0.537 0.846 0.462 CA 1.159 14 residues pruned to eliminate duplicates Z: 33 35.820 2.042 1.222 0.632 0.938 0.625 CB 1.315 33 residues pruned to eliminate duplicates Z: 11 18.169 1.807 0.718 0.835 1.000 0.800 CA 1.386 11 residues pruned to eliminate duplicates Z: 11 12.741 1.702 0.792 0.574 1.000 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 9 9.263 1.748 0.775 0.458 0.875 0.875 CA 1.260 9 residues pruned to eliminate duplicates Z: 41 29.525 2.102 0.879 0.486 0.900 0.600 CB 1.333 41 residues pruned to eliminate duplicates Z: 49 33.711 1.977 0.786 0.607 0.979 0.604 CB 1.271 49 residues pruned to eliminate duplicates Z: 7 8.256 1.876 0.879 0.667 0.833 0.833 CB 0.983 7 residues pruned to eliminate duplicates Z: 27 23.868 2.019 0.880 0.510 0.885 0.654 CB 1.380 27 residues pruned to eliminate duplicates Z: 30 27.066 2.105 0.946 0.607 0.931 0.655 CB 1.190 30 residues pruned to eliminate duplicates Z: 87 44.938 2.016 0.921 0.590 0.919 0.651 CB 1.250 87 residues pruned to eliminate duplicates Z: 22 12.857 1.798 0.675 0.387 0.905 0.524 CB 1.161 22 residues pruned to eliminate duplicates Z: 6 3.478 1.557 0.182 0.399 1.000 0.800 CB 0.940 6 residues pruned to eliminate duplicates Z: 7 5.948 1.551 0.498 0.539 0.833 0.833 CA 1.208 7 residues pruned to eliminate duplicates Z: 52 34.719 1.999 0.812 0.632 0.882 0.588 CB 1.343 52 residues pruned to eliminate duplicates Z: 14 19.177 2.022 0.686 0.610 1.000 0.846 CA 1.405 14 residues pruned to eliminate duplicates Z: 10 18.438 2.125 0.963 0.705 0.889 0.556 CB 1.376 10 residues pruned to eliminate duplicates Z: 18 29.751 2.129 1.080 0.710 0.941 0.882 CB 1.431 18 residues pruned to eliminate duplicates Z: 24 21.847 2.006 1.050 0.416 0.957 0.696 CB 1.265 Z: 14 26.334 2.059 1.107 0.883 0.923 0.538 CB 1.318 14 residues pruned to eliminate duplicates Z: 6 8.256 1.914 0.469 0.505 1.000 1.000 CA 1.307 6 residues pruned to eliminate duplicates Z: 37 30.620 1.979 0.839 0.676 0.944 0.694 CB 1.263 37 residues pruned to eliminate duplicates Z: 7 2.988 1.232 0.586 0.389 0.667 0.333 O 1.054 Z: 43 35.690 2.106 1.191 0.553 0.857 0.571 CB 1.322 43 residues pruned to eliminate duplicates Z: 28 27.151 1.984 0.890 0.660 0.889 0.741 CB 1.352 28 residues pruned to eliminate duplicates Z: 7 8.215 1.863 0.978 0.396 0.833 0.667 CB 1.218 7 residues pruned to eliminate duplicates Z: 15 16.169 1.842 0.619 0.830 1.000 0.643 CB 1.090 15 residues pruned to eliminate duplicates Z: 7 8.314 2.019 0.119 0.547 1.000 0.333 CA 1.434 7 residues pruned to eliminate duplicates Z: 17 16.042 1.745 0.418 0.893 1.000 0.875 CB 1.164 17 residues pruned to eliminate duplicates Z: 6 2.246 1.164 0.314 0.521 0.800 0.600 CA 0.804 Z: 7 12.839 2.086 0.720 0.523 1.000 0.833 CB 1.428 7 residues pruned to eliminate duplicates Z: 9 4.154 1.467 0.403 0.365 0.750 0.500 CA 1.100 Z: 23 17.542 2.131 0.788 0.415 0.864 0.591 CB 1.243 23 residues pruned to eliminate duplicates Z: 8 2.841 1.404 0.259 0.334 0.714 0.429 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 2.168 1.502 0.184 0.309 1.000 0.200 CB 0.674 Z: 7 3.096 1.490 0.030 0.404 0.833 0.333 CA 1.093 7 residues pruned to eliminate duplicates Z: 15 15.392 1.885 0.861 0.384 0.929 0.714 CB 1.429 15 residues pruned to eliminate duplicates Z: 18 26.375 1.879 0.953 0.827 1.000 0.765 CB 1.315 18 residues pruned to eliminate duplicates Z: 13 6.226 1.882 0.368 0.261 0.750 0.500 CB 1.223 13 residues pruned to eliminate duplicates Z: 6 3.848 1.459 0.451 0.799 1.000 0.600 CB 0.626 Z: 6 3.803 1.776 0.243 0.413 0.800 0.800 CB 1.054 Z: 7 3.182 1.488 0.077 0.476 1.000 0.833 CB 0.831 Z: 7 2.503 1.395 0.227 0.496 0.833 0.833 N 0.719 Z: 12 20.833 1.948 1.129 0.700 0.909 0.727 CB 1.388 12 residues pruned to eliminate duplicates Z: 9 3.184 1.587 0.371 0.264 0.750 0.500 CA 0.902 Z: 10 5.580 2.029 0.450 0.296 0.778 0.556 CB 1.022 10 residues pruned to eliminate duplicates Z: 48 40.120 2.126 1.006 0.533 0.936 0.660 CB 1.419 48 residues pruned to eliminate duplicates Z: 35 19.271 2.037 0.708 0.409 0.882 0.588 CB 1.185 35 residues pruned to eliminate duplicates 328 residues left after pruning, divided into chains as follows: A: 17 B: 260 C: 29 D: 22 CC for partial structure against native data = 38.70 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.345, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.398, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.472, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.478, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.488, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.493, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.499, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.503, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.506, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.509, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2516 peaks > 0.5 sigma used to seed fragment search Space for about 388 unique residues taking solvent into account 496 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 25.141 2.105 0.682 0.904 0.909 0.727 C 1.678 B: 9 24.039 2.253 0.812 0.894 0.875 0.750 CB 1.708 9 residues pruned to eliminate duplicates C: 12 24.131 2.149 0.721 0.799 1.000 0.636 CB 1.515 D: 12 25.156 2.117 0.826 0.789 1.000 0.455 CA 1.522 12 residues pruned to eliminate duplicates E: 15 30.825 2.092 1.274 0.879 0.929 0.714 CB 1.352 F: 9 21.470 2.229 0.378 0.903 1.000 0.875 CB 1.762 9 residues pruned to eliminate duplicates G: 11 32.489 2.390 0.719 0.917 1.000 0.800 CB 1.766 12 residues pruned to eliminate duplicates H: 15 28.246 2.079 1.118 0.908 0.857 0.643 CB 1.421 15 residues pruned to eliminate duplicates I: 10 12.662 1.904 0.871 0.497 0.889 0.778 CA 1.337 J: 43 46.049 2.189 1.005 0.670 0.929 0.667 CB 1.490 15 residues pruned to eliminate duplicates K: 14 31.774 2.121 1.135 0.891 1.000 0.692 CB 1.399 14 residues pruned to eliminate duplicates L: 31 27.069 2.126 0.776 0.538 0.867 0.667 CB 1.456 M: 6 7.922 2.062 0.084 0.749 0.800 0.600 CA 1.587 N: 17 17.627 1.873 0.462 0.814 0.938 0.625 CA 1.307 17 residues pruned to eliminate duplicates O: 31 36.103 2.152 0.987 0.654 0.867 0.633 CB 1.541 14 residues pruned to eliminate duplicates P: 54 43.892 2.134 0.806 0.627 0.943 0.642 CB 1.471 Q: 12 18.411 1.919 0.522 0.906 1.000 0.909 CA 1.353 12 residues pruned to eliminate duplicates R: 16 20.753 1.977 0.399 0.845 1.000 0.800 CA 1.440 16 residues pruned to eliminate duplicates S: 75 48.719 2.107 0.736 0.639 0.919 0.595 CB 1.479 54 residues pruned to eliminate duplicates T: 91 44.326 2.099 0.613 0.567 0.911 0.600 CB 1.419 67 residues pruned to eliminate duplicates U: 65 51.614 2.238 0.851 0.568 0.953 0.516 CB 1.530 49 residues pruned to eliminate duplicates V: 16 28.034 2.066 0.972 0.818 0.933 0.733 CB 1.444 16 residues pruned to eliminate duplicates W: 12 19.943 1.942 0.681 0.883 1.000 0.818 CA 1.331 11 residues pruned to eliminate duplicates X: 23 23.943 2.158 0.860 0.486 0.909 0.500 CB 1.419 23 residues pruned to eliminate duplicates Y: 12 22.421 2.120 0.741 0.819 1.000 0.909 CB 1.389 12 residues pruned to eliminate duplicates Z: 90 44.998 2.197 0.742 0.493 0.865 0.472 CB 1.450 90 residues pruned to eliminate duplicates Z: 43 32.411 2.164 0.783 0.570 0.857 0.476 CB 1.413 43 residues pruned to eliminate duplicates Z: 75 49.728 2.110 0.757 0.639 0.959 0.676 CB 1.427 75 residues pruned to eliminate duplicates Z: 120 62.449 2.130 0.757 0.576 0.958 0.555 CB 1.485 120 residues pruned to eliminate duplicates Z: 25 34.459 2.144 0.751 0.850 0.917 0.750 CB 1.514 25 residues pruned to eliminate duplicates Z: 14 16.711 1.878 0.547 0.746 0.923 0.615 CA 1.387 14 residues pruned to eliminate duplicates Z: 44 40.008 2.108 0.950 0.632 0.907 0.651 CB 1.446 45 residues pruned to eliminate duplicates Z: 10 10.046 1.802 0.102 0.829 1.000 0.667 CB 1.269 Z: 16 19.679 1.985 0.314 0.826 1.000 0.733 CA 1.469 16 residues pruned to eliminate duplicates Z: 14 27.411 2.066 0.964 0.842 0.923 0.615 CB 1.513 14 residues pruned to eliminate duplicates Z: 12 18.820 2.043 0.519 0.796 1.000 0.727 CA 1.411 12 residues pruned to eliminate duplicates Z: 9 15.189 2.047 0.704 0.646 1.000 0.750 CB 1.344 Z: 17 10.712 1.673 0.581 0.643 0.938 0.688 CB 0.945 9 residues pruned to eliminate duplicates Z: 13 24.113 2.023 0.680 0.922 1.000 0.917 CB 1.441 13 residues pruned to eliminate duplicates Z: 6 6.049 2.002 0.003 0.754 0.800 0.600 CA 1.344 6 residues pruned to eliminate duplicates Z: 12 20.264 2.113 0.395 0.857 1.000 1.000 CB 1.527 12 residues pruned to eliminate duplicates Z: 15 17.951 1.922 0.534 0.796 0.929 0.571 CA 1.353 15 residues pruned to eliminate duplicates Z: 86 45.286 2.090 0.665 0.578 0.929 0.553 CB 1.409 85 residues pruned to eliminate duplicates Z: 26 15.510 1.983 0.697 0.369 0.800 0.600 CB 1.326 10 residues pruned to eliminate duplicates Z: 14 27.193 2.072 1.177 0.869 0.923 0.846 CB 1.322 14 residues pruned to eliminate duplicates Z: 24 39.330 2.229 0.818 0.863 0.957 0.783 CB 1.553 24 residues pruned to eliminate duplicates Z: 24 20.095 2.031 0.820 0.444 0.913 0.652 CB 1.316 26 residues pruned to eliminate duplicates Z: 9 16.610 1.977 0.451 0.797 1.000 0.625 CB 1.579 10 residues pruned to eliminate duplicates Z: 52 37.104 2.158 0.844 0.610 0.882 0.549 CB 1.333 52 residues pruned to eliminate duplicates Z: 31 34.072 2.126 0.949 0.648 0.867 0.700 CB 1.508 31 residues pruned to eliminate duplicates Z: 21 18.687 1.900 0.566 0.825 0.900 0.700 CB 1.178 21 residues pruned to eliminate duplicates Z: 16 26.997 1.976 0.917 0.828 1.000 0.600 CA 1.386 16 residues pruned to eliminate duplicates Z: 15 24.052 2.013 1.123 0.846 1.000 0.643 CB 1.118 15 residues pruned to eliminate duplicates Z: 59 45.028 2.155 0.821 0.572 0.966 0.707 CB 1.456 43 residues pruned to eliminate duplicates Z: 6 3.235 1.804 0.576 0.294 0.600 0.400 CB 1.069 6 residues pruned to eliminate duplicates Z: 63 41.851 2.181 0.743 0.540 0.887 0.532 CB 1.515 63 residues pruned to eliminate duplicates Z: 21 25.370 1.899 0.846 0.815 0.950 0.750 CB 1.295 21 residues pruned to eliminate duplicates Z: 89 51.352 2.102 0.719 0.607 0.955 0.625 CB 1.433 90 residues pruned to eliminate duplicates Z: 63 40.425 2.118 0.703 0.589 0.887 0.613 CB 1.473 56 residues pruned to eliminate duplicates Z: 29 25.421 2.043 0.845 0.514 0.893 0.321 CB 1.408 29 residues pruned to eliminate duplicates Z: 9 12.820 1.992 0.553 0.670 1.000 0.750 CB 1.253 9 residues pruned to eliminate duplicates Z: 13 21.077 2.105 0.767 0.767 0.917 0.833 CB 1.408 13 residues pruned to eliminate duplicates Z: 13 26.742 2.159 0.491 0.891 1.000 0.583 CA 1.725 12 residues pruned to eliminate duplicates Z: 14 23.460 1.869 0.850 0.912 1.000 1.000 CA 1.333 14 residues pruned to eliminate duplicates Z: 16 17.836 1.940 0.318 0.816 1.000 0.733 CB 1.369 16 residues pruned to eliminate duplicates Z: 14 34.925 2.056 1.274 0.895 1.000 0.846 CB 1.486 14 residues pruned to eliminate duplicates Z: 26 18.921 2.092 0.669 0.477 0.880 0.520 CB 1.260 23 residues pruned to eliminate duplicates Z: 14 30.001 2.069 1.207 0.846 1.000 0.846 CB 1.353 14 residues pruned to eliminate duplicates Z: 10 24.011 2.374 0.397 0.930 1.000 1.000 CB 1.688 10 residues pruned to eliminate duplicates Z: 10 20.339 2.135 0.781 0.862 1.000 0.778 CA 1.310 10 residues pruned to eliminate duplicates Z: 22 11.760 1.879 0.491 0.366 0.810 0.476 CB 1.307 22 residues pruned to eliminate duplicates Z: 89 47.722 2.130 0.650 0.604 0.920 0.670 CB 1.425 89 residues pruned to eliminate duplicates Z: 136 53.357 2.076 0.717 0.537 0.889 0.570 CB 1.398 136 residues pruned to eliminate duplicates Z: 22 22.282 2.230 0.647 0.386 0.905 0.619 CB 1.652 22 residues pruned to eliminate duplicates Z: 14 27.576 2.036 0.990 0.895 1.000 0.769 CB 1.353 14 residues pruned to eliminate duplicates Z: 56 43.054 2.137 0.839 0.562 0.891 0.618 CB 1.562 56 residues pruned to eliminate duplicates Z: 16 21.534 1.889 0.704 0.821 1.000 0.733 CB 1.307 16 residues pruned to eliminate duplicates Z: 12 15.032 2.122 0.456 0.530 1.000 0.636 CB 1.425 Z: 9 11.428 1.856 0.663 0.859 0.875 0.750 CB 1.102 9 residues pruned to eliminate duplicates Z: 12 19.537 2.118 0.643 0.805 0.909 0.909 CB 1.427 12 residues pruned to eliminate duplicates Z: 7 4.955 1.420 0.936 0.317 0.833 0.500 N 1.081 7 residues pruned to eliminate duplicates Z: 25 34.034 2.142 0.839 0.819 0.917 0.708 CB 1.458 25 residues pruned to eliminate duplicates Z: 7 9.089 1.923 0.393 0.597 0.833 0.500 CB 1.515 7 residues pruned to eliminate duplicates Z: 17 25.271 1.921 0.778 0.837 1.000 0.938 CA 1.383 17 residues pruned to eliminate duplicates Z: 6 11.299 2.136 0.455 0.683 1.000 0.800 CB 1.374 6 residues pruned to eliminate duplicates Z: 24 34.246 2.197 0.635 0.849 0.957 0.696 CB 1.541 24 residues pruned to eliminate duplicates Z: 7 10.522 2.017 0.838 0.562 1.000 0.500 CB 1.092 Z: 10 4.574 1.617 0.360 0.317 0.778 0.333 CB 1.092 10 residues pruned to eliminate duplicates Z: 65 47.806 2.201 0.901 0.551 0.906 0.484 CB 1.500 65 residues pruned to eliminate duplicates Z: 16 12.033 2.087 0.532 0.328 0.867 0.533 CB 1.354 16 residues pruned to eliminate duplicates Z: 13 24.035 2.031 0.718 0.872 1.000 0.500 CA 1.449 13 residues pruned to eliminate duplicates Z: 17 12.345 1.848 -0.059 0.882 1.000 0.875 CB 1.285 17 residues pruned to eliminate duplicates Z: 10 12.808 1.865 0.392 0.783 1.000 0.667 CB 1.282 10 residues pruned to eliminate duplicates Z: 35 25.446 2.057 0.665 0.592 0.941 0.676 CB 1.239 35 residues pruned to eliminate duplicates Z: 19 21.305 1.972 0.603 0.799 1.000 0.722 CB 1.223 19 residues pruned to eliminate duplicates Z: 6 8.259 2.029 0.127 0.609 1.000 0.600 CB 1.458 6 residues pruned to eliminate duplicates Z: 42 33.700 2.138 0.831 0.530 0.854 0.585 CB 1.529 40 residues pruned to eliminate duplicates Z: 46 28.046 2.106 0.657 0.521 0.889 0.533 CB 1.320 46 residues pruned to eliminate duplicates Z: 7 13.087 2.128 1.367 0.652 0.667 0.667 CB 1.382 7 residues pruned to eliminate duplicates Z: 15 22.566 1.981 0.620 0.824 1.000 0.714 CA 1.419 15 residues pruned to eliminate duplicates Z: 10 16.777 1.828 0.678 0.837 1.000 0.667 CB 1.364 9 residues pruned to eliminate duplicates Z: 14 12.578 1.803 0.716 0.395 0.846 0.615 CB 1.490 10 residues pruned to eliminate duplicates Z: 19 24.091 2.008 0.781 0.809 0.944 0.778 CB 1.284 19 residues pruned to eliminate duplicates Z: 11 21.558 2.116 0.602 0.814 1.000 0.700 CB 1.531 11 residues pruned to eliminate duplicates Z: 6 10.911 1.693 0.668 0.830 1.000 0.600 CA 1.299 6 residues pruned to eliminate duplicates Z: 77 41.140 2.043 0.720 0.583 0.908 0.566 CB 1.366 77 residues pruned to eliminate duplicates Z: 16 23.529 2.001 0.561 0.846 1.000 0.800 CB 1.445 16 residues pruned to eliminate duplicates Z: 69 39.625 2.130 0.676 0.498 0.882 0.618 CB 1.529 69 residues pruned to eliminate duplicates Z: 20 22.721 1.994 0.629 0.805 0.947 0.632 CB 1.298 20 residues pruned to eliminate duplicates Z: 6 7.436 1.526 0.788 0.812 0.800 0.600 CB 1.162 6 residues pruned to eliminate duplicates Z: 19 25.931 2.061 0.670 0.799 0.944 0.722 CB 1.447 19 residues pruned to eliminate duplicates Z: 31 23.731 2.028 0.844 0.524 0.833 0.433 CB 1.358 31 residues pruned to eliminate duplicates Z: 23 21.573 2.128 0.700 0.436 0.909 0.545 CB 1.495 23 residues pruned to eliminate duplicates Z: 13 26.710 2.085 0.598 0.883 1.000 0.833 C 1.673 13 residues pruned to eliminate duplicates Z: 22 21.714 1.965 1.015 0.503 0.857 0.571 CB 1.392 22 residues pruned to eliminate duplicates Z: 18 20.920 1.797 0.727 0.835 1.000 0.765 CA 1.224 18 residues pruned to eliminate duplicates Z: 10 18.228 1.942 0.665 0.813 1.000 0.444 CB 1.431 10 residues pruned to eliminate duplicates Z: 13 20.974 2.002 0.502 0.886 1.000 0.667 CA 1.453 13 residues pruned to eliminate duplicates Z: 14 24.106 1.956 0.922 0.824 0.923 0.615 CA 1.454 14 residues pruned to eliminate duplicates Z: 9 12.358 1.908 0.717 0.771 0.875 0.750 CB 1.200 9 residues pruned to eliminate duplicates Z: 9 9.213 1.908 0.606 0.755 0.750 0.750 CB 1.129 9 residues pruned to eliminate duplicates Z: 31 34.276 2.162 0.879 0.626 0.867 0.700 CB 1.578 31 residues pruned to eliminate duplicates Z: 13 17.968 1.835 0.947 0.801 0.917 0.417 CB 1.218 13 residues pruned to eliminate duplicates Z: 93 46.054 2.077 0.696 0.580 0.891 0.587 CB 1.416 93 residues pruned to eliminate duplicates Z: 29 21.913 2.157 0.698 0.397 0.857 0.536 CB 1.472 29 residues pruned to eliminate duplicates Z: 19 22.657 1.968 0.681 0.815 0.944 0.556 CB 1.300 19 residues pruned to eliminate duplicates Z: 97 52.204 2.133 0.736 0.591 0.927 0.635 CB 1.423 97 residues pruned to eliminate duplicates Z: 6 13.739 1.937 0.443 0.857 1.000 0.600 N 1.620 6 residues pruned to eliminate duplicates Z: 22 36.678 2.086 0.990 0.784 1.000 0.667 CB 1.501 22 residues pruned to eliminate duplicates Z: 59 41.962 2.160 0.787 0.566 0.897 0.621 CB 1.494 59 residues pruned to eliminate duplicates Z: 9 10.217 1.898 0.488 0.767 0.875 0.750 CB 1.154 9 residues pruned to eliminate duplicates Z: 19 22.457 2.023 0.638 0.805 0.889 0.667 CA 1.377 19 residues pruned to eliminate duplicates Z: 9 16.073 1.955 0.483 0.823 1.000 0.750 CB 1.482 9 residues pruned to eliminate duplicates Z: 51 34.675 2.121 0.657 0.586 0.900 0.660 CB 1.428 51 residues pruned to eliminate duplicates Z: 12 10.554 1.918 -0.098 0.896 1.000 0.727 CA 1.317 12 residues pruned to eliminate duplicates Z: 16 19.734 1.976 0.311 0.871 1.000 0.867 CA 1.435 16 residues pruned to eliminate duplicates Z: 6 8.640 1.730 0.556 0.641 1.000 0.400 CA 1.258 6 residues pruned to eliminate duplicates Z: 21 22.725 1.894 0.768 0.816 0.950 0.750 CB 1.214 21 residues pruned to eliminate duplicates Z: 20 19.497 1.902 0.364 0.787 1.000 0.526 CA 1.339 20 residues pruned to eliminate duplicates Z: 13 18.726 1.997 0.517 0.852 0.917 0.667 CB 1.440 13 residues pruned to eliminate duplicates Z: 14 25.994 2.127 0.536 0.871 1.000 0.923 CB 1.610 14 residues pruned to eliminate duplicates Z: 19 11.483 1.911 0.810 0.353 0.833 0.278 CB 1.101 19 residues pruned to eliminate duplicates Z: 10 11.502 1.874 0.576 0.545 0.889 0.667 CA 1.397 14 residues pruned to eliminate duplicates Z: 14 23.901 2.019 0.614 0.834 1.000 0.692 CB 1.525 14 residues pruned to eliminate duplicates Z: 19 20.632 2.106 0.747 0.476 0.944 0.500 CB 1.433 19 residues pruned to eliminate duplicates Z: 8 6.334 1.723 0.370 0.479 0.857 0.714 CB 1.209 Z: 20 25.279 2.069 1.003 0.598 0.895 0.684 CB 1.424 20 residues pruned to eliminate duplicates Z: 11 15.628 2.040 0.202 0.901 1.000 0.800 CB 1.438 11 residues pruned to eliminate duplicates Z: 15 18.549 2.055 0.724 0.766 0.929 0.571 CB 1.190 15 residues pruned to eliminate duplicates Z: 31 20.200 1.876 0.926 0.423 0.867 0.633 CB 1.276 34 residues pruned to eliminate duplicates Z: 8 5.332 2.220 0.571 0.213 0.714 0.429 CB 1.135 3 residues pruned to eliminate duplicates Z: 17 22.972 2.205 0.695 0.481 1.000 0.562 CA 1.567 17 residues pruned to eliminate duplicates Z: 92 49.368 2.125 0.743 0.595 0.901 0.626 CB 1.417 92 residues pruned to eliminate duplicates Z: 29 16.367 2.007 0.586 0.369 0.821 0.464 CB 1.361 30 residues pruned to eliminate duplicates Z: 10 15.629 2.213 0.133 0.913 0.889 0.889 CB 1.653 10 residues pruned to eliminate duplicates Z: 35 29.803 2.114 0.709 0.592 0.941 0.706 CB 1.376 35 residues pruned to eliminate duplicates Z: 43 23.587 2.015 0.697 0.440 0.881 0.524 CB 1.285 43 residues pruned to eliminate duplicates Z: 8 4.847 1.878 0.130 0.516 0.714 0.429 CB 1.190 8 residues pruned to eliminate duplicates Z: 71 49.007 2.095 0.733 0.648 0.957 0.671 CB 1.468 71 residues pruned to eliminate duplicates Z: 20 10.070 1.942 0.396 0.313 0.737 0.474 CB 1.422 20 residues pruned to eliminate duplicates Z: 33 23.581 2.024 0.623 0.459 0.938 0.562 CB 1.412 33 residues pruned to eliminate duplicates Z: 20 19.293 1.930 0.579 0.792 0.895 0.737 CB 1.257 20 residues pruned to eliminate duplicates Z: 11 6.705 1.882 0.611 0.442 0.800 0.500 CB 0.928 11 residues pruned to eliminate duplicates Z: 17 24.822 1.934 0.673 0.841 1.000 0.812 CA 1.430 17 residues pruned to eliminate duplicates Z: 23 19.347 2.028 0.639 0.624 0.773 0.591 CB 1.428 23 residues pruned to eliminate duplicates Z: 38 39.414 2.127 0.926 0.632 0.946 0.595 CB 1.477 38 residues pruned to eliminate duplicates Z: 18 25.478 2.171 0.624 0.704 0.941 0.765 CA 1.547 19 residues pruned to eliminate duplicates Z: 8 13.133 2.212 0.459 0.567 1.000 0.571 CB 1.442 8 residues pruned to eliminate duplicates Z: 66 48.374 2.164 0.851 0.573 0.923 0.615 CB 1.512 66 residues pruned to eliminate duplicates Z: 16 25.976 1.971 0.736 0.867 1.000 0.733 CA 1.433 16 residues pruned to eliminate duplicates Z: 6 7.115 1.682 0.452 0.548 1.000 0.600 CA 1.243 6 residues pruned to eliminate duplicates Z: 21 21.155 2.089 0.729 0.574 0.850 0.600 CA 1.435 21 residues pruned to eliminate duplicates Z: 17 15.181 1.866 0.764 0.475 0.812 0.625 CA 1.456 17 residues pruned to eliminate duplicates Z: 8 8.152 1.787 0.487 0.602 0.857 0.857 CB 1.228 8 residues pruned to eliminate duplicates Z: 9 14.839 1.971 0.729 0.510 1.000 0.625 CB 1.524 9 residues pruned to eliminate duplicates Z: 17 22.447 1.855 0.605 0.830 1.000 0.875 CA 1.418 17 residues pruned to eliminate duplicates Z: 63 29.911 2.116 0.701 0.467 0.823 0.500 CB 1.327 63 residues pruned to eliminate duplicates Z: 9 4.851 1.610 0.381 0.409 0.750 0.625 CB 1.133 8 residues pruned to eliminate duplicates Z: 13 17.411 2.117 0.953 0.364 0.917 0.500 CA 1.536 13 residues pruned to eliminate duplicates Z: 27 13.407 1.730 0.765 0.421 0.885 0.654 CB 1.056 27 residues pruned to eliminate duplicates Z: 32 31.145 2.126 0.858 0.600 0.806 0.581 CB 1.597 32 residues pruned to eliminate duplicates Z: 94 47.518 2.076 0.657 0.561 0.903 0.591 CB 1.495 94 residues pruned to eliminate duplicates Z: 12 12.387 2.118 0.758 0.440 0.818 0.455 CB 1.303 12 residues pruned to eliminate duplicates Z: 12 13.698 1.922 0.835 0.540 1.000 0.545 CB 1.126 12 residues pruned to eliminate duplicates Z: 16 16.161 1.934 0.189 0.871 1.000 0.600 CB 1.323 16 residues pruned to eliminate duplicates Z: 27 32.938 2.165 0.987 0.618 0.885 0.692 CB 1.518 27 residues pruned to eliminate duplicates Z: 11 15.538 2.178 0.527 0.539 1.000 0.700 CB 1.421 12 residues pruned to eliminate duplicates Z: 41 44.712 2.202 0.911 0.704 0.950 0.750 CB 1.469 41 residues pruned to eliminate duplicates Z: 7 6.416 1.498 0.386 0.750 1.000 0.833 CB 1.009 7 residues pruned to eliminate duplicates Z: 40 35.209 2.110 0.787 0.644 0.897 0.692 CB 1.456 40 residues pruned to eliminate duplicates Z: 33 32.031 2.120 0.945 0.603 0.844 0.656 CB 1.476 33 residues pruned to eliminate duplicates Z: 21 20.826 1.908 0.577 0.800 1.000 0.750 CB 1.190 21 residues pruned to eliminate duplicates Z: 31 29.638 2.121 0.820 0.615 0.833 0.633 CB 1.508 31 residues pruned to eliminate duplicates Z: 6 3.977 1.487 0.361 0.215 1.000 0.200 O 1.230 Z: 8 8.840 2.019 0.242 0.647 1.000 0.714 CB 1.162 6 residues pruned to eliminate duplicates Z: 44 37.348 2.045 0.855 0.599 0.930 0.558 CB 1.469 44 residues pruned to eliminate duplicates Z: 39 33.424 2.013 0.892 0.577 0.921 0.579 CA 1.435 39 residues pruned to eliminate duplicates Z: 8 10.858 2.040 0.779 0.422 1.000 0.571 CB 1.226 8 residues pruned to eliminate duplicates Z: 8 13.111 1.902 0.618 0.902 1.000 0.714 CB 1.149 8 residues pruned to eliminate duplicates Z: 6 8.465 1.723 0.702 0.772 1.000 0.800 CB 1.015 6 residues pruned to eliminate duplicates Z: 20 25.620 1.945 0.790 0.798 0.947 0.737 CB 1.373 20 residues pruned to eliminate duplicates Z: 45 28.004 2.068 0.766 0.522 0.864 0.523 CB 1.310 45 residues pruned to eliminate duplicates Z: 8 18.690 2.263 0.550 0.807 1.000 0.286 CB 1.541 8 residues pruned to eliminate duplicates Z: 45 45.511 2.213 0.981 0.627 0.886 0.659 CB 1.567 45 residues pruned to eliminate duplicates Z: 90 46.931 2.104 0.669 0.606 0.899 0.663 CB 1.425 90 residues pruned to eliminate duplicates Z: 30 19.608 1.954 0.501 0.450 0.931 0.448 CB 1.404 30 residues pruned to eliminate duplicates Z: 25 13.460 1.867 0.660 0.349 0.833 0.542 CB 1.253 25 residues pruned to eliminate duplicates Z: 12 18.896 2.086 0.218 0.940 1.000 1.000 CA 1.557 12 residues pruned to eliminate duplicates Z: 16 18.433 1.970 0.382 0.833 0.933 0.867 CA 1.406 16 residues pruned to eliminate duplicates Z: 21 24.950 2.065 0.952 0.484 0.950 0.550 CB 1.480 21 residues pruned to eliminate duplicates Z: 30 35.714 2.123 1.028 0.659 0.897 0.724 CB 1.482 30 residues pruned to eliminate duplicates Z: 10 5.148 1.692 0.319 0.449 0.778 0.444 CB 1.042 10 residues pruned to eliminate duplicates Z: 40 45.645 2.223 0.990 0.724 0.923 0.692 CB 1.463 40 residues pruned to eliminate duplicates Z: 8 15.693 1.909 0.847 0.909 1.000 0.857 CB 1.194 8 residues pruned to eliminate duplicates Z: 60 41.200 2.144 0.747 0.580 0.915 0.729 CB 1.449 60 residues pruned to eliminate duplicates Z: 14 13.326 2.105 0.504 0.405 0.923 0.538 CB 1.397 13 residues pruned to eliminate duplicates Z: 12 19.721 2.139 0.421 0.760 1.000 0.818 CB 1.553 12 residues pruned to eliminate duplicates Z: 19 17.698 1.893 0.601 0.831 0.833 0.611 CB 1.241 19 residues pruned to eliminate duplicates Z: 6 8.485 1.849 0.607 0.506 1.000 0.400 C 1.269 6 residues pruned to eliminate duplicates Z: 21 19.557 1.878 0.451 0.790 1.000 0.700 CB 1.243 21 residues pruned to eliminate duplicates Z: 8 10.369 2.093 0.459 0.476 0.857 0.571 CA 1.534 8 residues pruned to eliminate duplicates Z: 154 65.029 2.137 0.792 0.574 0.895 0.621 CB 1.428 154 residues pruned to eliminate duplicates Z: 12 23.043 1.893 0.851 0.911 1.000 0.727 CA 1.405 12 residues pruned to eliminate duplicates Z: 11 7.216 2.108 0.185 0.409 0.900 0.500 CB 1.117 11 residues pruned to eliminate duplicates Z: 18 9.304 1.884 0.566 0.287 0.824 0.294 CB 1.181 18 residues pruned to eliminate duplicates Z: 20 25.901 2.033 0.769 0.598 1.000 0.684 CB 1.505 20 residues pruned to eliminate duplicates Z: 13 5.710 1.858 0.500 0.242 0.750 0.500 CB 1.063 13 residues pruned to eliminate duplicates Z: 32 26.212 2.050 0.634 0.643 0.903 0.677 CB 1.361 32 residues pruned to eliminate duplicates Z: 13 22.376 2.003 0.773 0.842 0.917 0.583 CB 1.479 13 residues pruned to eliminate duplicates Z: 16 14.871 2.032 0.624 0.356 0.867 0.467 CB 1.569 16 residues pruned to eliminate duplicates Z: 8 7.199 1.751 0.532 0.467 0.857 0.857 CB 1.224 8 residues pruned to eliminate duplicates Z: 54 38.571 2.065 0.640 0.626 0.925 0.642 CB 1.502 54 residues pruned to eliminate duplicates Z: 13 22.148 2.119 0.791 0.875 0.917 0.833 CB 1.336 13 residues pruned to eliminate duplicates Z: 58 40.341 2.135 0.787 0.588 0.895 0.684 CB 1.440 58 residues pruned to eliminate duplicates Z: 49 39.727 2.070 0.703 0.644 0.979 0.646 CB 1.452 49 residues pruned to eliminate duplicates Z: 30 30.391 2.072 0.832 0.656 0.931 0.759 CB 1.381 30 residues pruned to eliminate duplicates Z: 22 24.660 2.223 0.427 0.577 0.905 0.714 CB 1.741 22 residues pruned to eliminate duplicates Z: 17 11.439 1.805 0.433 0.386 0.875 0.562 CB 1.426 17 residues pruned to eliminate duplicates Z: 8 7.112 1.971 0.846 0.338 0.714 0.429 CB 1.234 8 residues pruned to eliminate duplicates Z: 13 10.258 2.032 0.445 0.436 0.750 0.583 CB 1.437 13 residues pruned to eliminate duplicates Z: 67 41.464 2.082 0.756 0.546 0.924 0.561 CB 1.445 67 residues pruned to eliminate duplicates Z: 8 3.245 1.437 0.329 0.290 0.857 0.286 CB 0.948 Z: 21 18.821 2.070 0.633 0.574 0.850 0.650 CB 1.364 21 residues pruned to eliminate duplicates Z: 14 23.575 2.065 0.680 0.881 1.000 0.692 CB 1.364 14 residues pruned to eliminate duplicates Z: 44 41.382 2.152 0.948 0.640 0.907 0.721 CB 1.455 44 residues pruned to eliminate duplicates Z: 67 42.791 2.101 0.687 0.608 0.924 0.697 CB 1.450 67 residues pruned to eliminate duplicates Z: 7 3.906 1.882 0.375 0.311 0.833 0.500 CB 0.912 7 residues pruned to eliminate duplicates Z: 47 19.546 1.941 0.594 0.432 0.761 0.478 CB 1.313 47 residues pruned to eliminate duplicates Z: 23 15.973 1.994 0.900 0.312 0.773 0.455 CB 1.433 23 residues pruned to eliminate duplicates Z: 52 32.475 2.100 0.709 0.507 0.902 0.608 CB 1.395 52 residues pruned to eliminate duplicates Z: 10 8.334 1.917 0.395 0.488 0.889 0.556 CB 1.183 10 residues pruned to eliminate duplicates Z: 13 18.442 1.936 0.582 0.757 1.000 0.667 CB 1.382 13 residues pruned to eliminate duplicates Z: 16 24.624 1.962 1.443 0.641 0.867 0.667 CB 1.342 16 residues pruned to eliminate duplicates Z: 10 18.573 2.026 0.688 0.905 0.889 0.667 CB 1.450 10 residues pruned to eliminate duplicates Z: 24 25.447 2.017 0.851 0.627 0.870 0.696 CA 1.451 24 residues pruned to eliminate duplicates Z: 47 36.625 2.156 0.860 0.489 0.870 0.413 CB 1.566 47 residues pruned to eliminate duplicates Z: 22 21.737 2.059 0.902 0.437 0.905 0.476 CB 1.428 22 residues pruned to eliminate duplicates Z: 44 27.795 2.044 0.583 0.580 0.860 0.674 CB 1.409 44 residues pruned to eliminate duplicates Z: 24 29.162 1.996 0.721 0.839 0.913 0.739 CA 1.447 24 residues pruned to eliminate duplicates Z: 10 5.083 1.622 0.146 0.402 0.889 0.778 CB 1.137 10 residues pruned to eliminate duplicates Z: 15 26.459 1.971 1.299 0.862 0.929 0.643 CB 1.235 15 residues pruned to eliminate duplicates Z: 17 16.336 1.854 0.711 0.380 1.000 0.438 CB 1.462 17 residues pruned to eliminate duplicates Z: 20 18.618 1.920 0.501 0.786 0.895 0.579 CB 1.288 20 residues pruned to eliminate duplicates Z: 60 45.559 2.177 0.810 0.559 0.915 0.644 CB 1.553 60 residues pruned to eliminate duplicates Z: 21 18.861 2.182 0.377 0.494 0.850 0.650 CB 1.662 21 residues pruned to eliminate duplicates Z: 56 40.661 2.094 0.653 0.599 0.945 0.691 CB 1.523 56 residues pruned to eliminate duplicates Z: 21 22.787 1.893 0.819 0.795 0.950 0.750 CB 1.203 21 residues pruned to eliminate duplicates Z: 10 9.269 1.968 0.418 0.516 0.889 0.778 CB 1.227 9 residues pruned to eliminate duplicates Z: 9 13.135 1.830 0.630 0.703 1.000 0.625 CA 1.294 9 residues pruned to eliminate duplicates Z: 9 18.115 1.939 1.020 0.806 0.875 0.750 CB 1.431 9 residues pruned to eliminate duplicates Z: 32 28.738 2.040 0.716 0.625 0.839 0.677 CA 1.562 32 residues pruned to eliminate duplicates Z: 35 29.450 2.051 0.704 0.557 0.971 0.706 CB 1.408 35 residues pruned to eliminate duplicates Z: 21 22.764 2.072 0.652 0.585 0.900 0.600 CB 1.523 21 residues pruned to eliminate duplicates Z: 6 8.322 1.775 0.595 0.670 1.000 0.800 CA 1.124 6 residues pruned to eliminate duplicates Z: 27 27.497 2.172 0.738 0.613 0.885 0.615 CB 1.452 27 residues pruned to eliminate duplicates Z: 40 28.047 2.061 0.664 0.591 0.872 0.590 CB 1.378 40 residues pruned to eliminate duplicates Z: 13 7.011 1.652 0.698 0.332 0.833 0.667 CB 1.041 13 residues pruned to eliminate duplicates Z: 15 19.508 1.955 0.911 0.819 0.929 0.500 CB 1.140 15 residues pruned to eliminate duplicates Z: 6 5.616 1.532 0.406 0.666 0.800 0.200 O 1.250 6 residues pruned to eliminate duplicates Z: 9 7.825 1.759 0.496 0.443 0.750 0.625 CB 1.487 8 residues pruned to eliminate duplicates Z: 9 4.422 1.693 0.557 0.193 0.625 0.500 C 1.371 9 residues pruned to eliminate duplicates Z: 20 12.446 1.818 1.018 0.469 0.789 0.579 CB 1.018 20 residues pruned to eliminate duplicates Z: 19 18.532 2.011 0.770 0.419 1.000 0.611 CB 1.335 19 residues pruned to eliminate duplicates Z: 25 33.732 2.079 0.841 0.869 0.917 0.792 CB 1.433 25 residues pruned to eliminate duplicates Z: 6 3.825 1.365 0.563 0.300 1.000 0.600 C 1.003 Z: 11 7.125 1.852 0.349 0.523 0.800 0.600 CB 1.102 11 residues pruned to eliminate duplicates Z: 52 39.163 2.178 0.792 0.560 0.882 0.686 CB 1.502 52 residues pruned to eliminate duplicates Z: 12 7.727 1.959 0.407 0.261 0.727 0.455 CA 1.527 12 residues pruned to eliminate duplicates Z: 9 5.728 1.903 0.456 0.407 0.750 0.375 CB 1.074 9 residues pruned to eliminate duplicates Z: 10 6.456 2.109 0.504 0.340 0.778 0.333 CB 1.038 10 residues pruned to eliminate duplicates Z: 13 22.869 1.997 0.582 0.884 1.000 0.833 CB 1.510 13 residues pruned to eliminate duplicates Z: 12 15.388 2.066 0.932 0.491 0.909 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 11 5.511 1.609 0.482 0.372 0.800 0.600 CB 1.047 Z: 50 32.381 2.071 0.651 0.598 0.898 0.653 CB 1.372 50 residues pruned to eliminate duplicates Z: 23 20.359 2.044 0.710 0.377 1.000 0.591 CB 1.416 23 residues pruned to eliminate duplicates Z: 19 21.165 1.919 0.871 0.810 0.833 0.667 CB 1.273 19 residues pruned to eliminate duplicates Z: 22 37.264 2.160 1.301 0.661 0.952 0.667 CB 1.479 22 residues pruned to eliminate duplicates Z: 17 22.173 2.172 0.783 0.486 0.938 0.500 CA 1.548 17 residues pruned to eliminate duplicates Z: 15 20.711 2.049 0.932 0.753 0.857 0.500 CB 1.302 15 residues pruned to eliminate duplicates Z: 15 15.635 1.826 0.699 0.836 0.786 0.714 CB 1.283 15 residues pruned to eliminate duplicates Z: 15 6.392 1.937 0.375 0.297 0.786 0.571 CB 1.025 15 residues pruned to eliminate duplicates Z: 10 19.038 2.112 0.915 0.655 0.889 0.778 CB 1.528 10 residues pruned to eliminate duplicates Z: 7 3.676 1.260 0.484 0.779 1.000 0.833 CB 0.627 7 residues pruned to eliminate duplicates Z: 68 34.224 2.081 0.577 0.545 0.881 0.582 CB 1.385 68 residues pruned to eliminate duplicates Z: 74 48.059 2.104 0.748 0.635 0.932 0.671 CB 1.447 74 residues pruned to eliminate duplicates Z: 8 9.123 1.790 0.808 0.600 0.857 0.571 CB 1.130 8 residues pruned to eliminate duplicates Z: 14 19.566 2.123 0.638 0.590 1.000 0.615 CA 1.432 14 residues pruned to eliminate duplicates Z: 33 19.336 2.040 0.476 0.603 0.844 0.438 CB 1.220 33 residues pruned to eliminate duplicates Z: 7 11.870 2.182 0.592 0.735 0.833 0.833 CA 1.355 7 residues pruned to eliminate duplicates Z: 29 22.948 2.128 0.835 0.567 0.786 0.607 CB 1.324 29 residues pruned to eliminate duplicates Z: 8 10.424 1.918 0.445 0.859 0.857 0.857 CB 1.220 8 residues pruned to eliminate duplicates Z: 13 32.595 2.225 1.124 0.887 0.917 0.750 CB 1.566 13 residues pruned to eliminate duplicates Z: 17 21.651 1.902 0.614 0.821 1.000 0.625 CA 1.335 17 residues pruned to eliminate duplicates Z: 7 4.207 1.547 0.304 0.660 0.667 0.500 CB 1.101 Z: 6 4.357 1.858 0.416 0.369 0.600 0.400 N 1.421 5 residues pruned to eliminate duplicates Z: 19 18.425 2.161 0.579 0.450 0.944 0.500 CB 1.419 19 residues pruned to eliminate duplicates Z: 7 4.863 1.645 0.454 0.678 1.000 0.667 CB 0.705 7 residues pruned to eliminate duplicates Z: 6 4.227 1.294 0.686 0.795 1.000 0.800 C 0.669 6 residues pruned to eliminate duplicates Z: 19 8.648 1.645 0.384 0.352 0.833 0.389 CB 1.261 19 residues pruned to eliminate duplicates Z: 77 38.559 2.096 0.752 0.496 0.842 0.539 CB 1.436 77 residues pruned to eliminate duplicates Z: 22 23.018 2.220 0.537 0.419 0.952 0.476 CB 1.682 22 residues pruned to eliminate duplicates Z: 6 8.897 1.945 0.323 0.670 1.000 0.800 CB 1.322 6 residues pruned to eliminate duplicates Z: 34 22.882 1.968 0.851 0.377 0.909 0.576 CB 1.371 34 residues pruned to eliminate duplicates Z: 14 9.602 1.966 0.741 0.336 0.769 0.231 CB 1.210 14 residues pruned to eliminate duplicates Z: 22 24.732 2.249 0.654 0.384 0.952 0.476 CB 1.722 22 residues pruned to eliminate duplicates Z: 52 39.905 2.165 0.808 0.572 0.902 0.627 CB 1.477 52 residues pruned to eliminate duplicates Z: 6 2.169 1.196 0.123 0.838 1.000 1.000 CA 0.540 Z: 8 4.042 1.366 1.107 0.537 0.714 0.714 CB 0.717 8 residues pruned to eliminate duplicates Z: 20 14.719 1.974 0.616 0.445 0.789 0.579 CB 1.419 20 residues pruned to eliminate duplicates Z: 44 43.429 2.180 0.888 0.666 0.907 0.628 CB 1.522 44 residues pruned to eliminate duplicates Z: 9 5.237 1.676 0.807 0.518 0.750 0.750 CB 0.801 9 residues pruned to eliminate duplicates Z: 82 42.731 2.047 0.685 0.604 0.889 0.580 CB 1.403 82 residues pruned to eliminate duplicates 7 1.721 1.196 0.271 0.250 0.667 0.667 O 0.925 ? Z: 22 37.754 2.210 0.875 0.830 1.000 0.667 CB 1.495 22 residues pruned to eliminate duplicates Z: 11 14.851 2.055 0.630 0.644 0.900 0.700 CB 1.362 11 residues pruned to eliminate duplicates Z: 17 27.380 1.960 0.987 0.757 0.938 0.812 CA 1.491 17 residues pruned to eliminate duplicates Z: 9 15.201 1.904 0.732 0.810 1.000 1.000 CB 1.243 9 residues pruned to eliminate duplicates Z: 31 22.033 1.948 0.740 0.596 0.867 0.633 CB 1.249 31 residues pruned to eliminate duplicates Z: 89 47.108 2.112 0.673 0.608 0.909 0.659 CB 1.411 89 residues pruned to eliminate duplicates Z: 8 5.401 1.632 0.280 0.457 1.000 0.857 CA 1.021 8 residues pruned to eliminate duplicates Z: 9 3.223 1.425 0.711 0.400 0.875 0.500 CB 0.594 Z: 59 39.962 2.097 0.662 0.575 0.948 0.621 CB 1.477 59 residues pruned to eliminate duplicates Z: 15 8.610 1.715 0.413 0.465 0.857 0.429 CB 1.148 15 residues pruned to eliminate duplicates 6 1.690 1.274 0.288 0.294 0.600 0.600 N 0.967 ? Z: 13 7.430 1.962 0.612 0.350 0.667 0.583 CB 1.197 13 residues pruned to eliminate duplicates Z: 19 18.174 1.938 0.801 0.437 0.889 0.611 CB 1.473 19 residues pruned to eliminate duplicates Z: 11 11.646 1.751 0.760 0.759 0.900 0.800 CB 1.055 11 residues pruned to eliminate duplicates 6 0.706 1.141 0.259 0.290 0.600 0.400 N 0.463 ? Z: 11 16.529 2.144 0.790 0.586 0.900 0.600 CB 1.393 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 5.589 1.798 0.206 0.442 0.625 0.375 CB 1.547 9 residues pruned to eliminate duplicates Z: 49 36.757 2.167 0.755 0.511 0.938 0.583 CB 1.472 49 residues pruned to eliminate duplicates Z: 59 40.277 2.089 0.901 0.497 0.914 0.569 CB 1.461 59 residues pruned to eliminate duplicates Z: 60 41.356 2.153 0.768 0.564 0.881 0.678 CB 1.509 60 residues pruned to eliminate duplicates Z: 21 14.457 2.026 0.532 0.378 0.800 0.550 CB 1.482 21 residues pruned to eliminate duplicates Z: 31 23.797 2.091 0.531 0.487 0.933 0.533 CB 1.474 31 residues pruned to eliminate duplicates Z: 67 43.105 2.179 0.783 0.513 0.894 0.682 CB 1.508 67 residues pruned to eliminate duplicates Z: 61 44.168 2.158 0.788 0.567 0.900 0.650 CB 1.538 61 residues pruned to eliminate duplicates Z: 67 44.335 2.185 0.742 0.525 0.909 0.636 CB 1.539 67 residues pruned to eliminate duplicates Z: 38 29.540 2.071 0.773 0.467 0.892 0.568 CB 1.534 38 residues pruned to eliminate duplicates Z: 48 33.337 2.094 0.783 0.512 0.872 0.532 CB 1.476 48 residues pruned to eliminate duplicates Z: 59 46.715 2.154 0.809 0.581 0.948 0.690 CB 1.536 59 residues pruned to eliminate duplicates Z: 60 40.448 2.123 0.735 0.544 0.898 0.593 CB 1.524 60 residues pruned to eliminate duplicates Z: 35 24.961 1.991 0.581 0.572 0.941 0.676 CB 1.348 35 residues pruned to eliminate duplicates Z: 6 5.638 1.772 0.560 0.498 0.800 0.200 CB 1.143 6 residues pruned to eliminate duplicates Z: 13 13.796 1.931 0.589 0.664 0.833 0.500 CB 1.338 13 residues pruned to eliminate duplicates Z: 11 13.941 1.932 0.697 0.723 0.800 0.500 CB 1.375 11 residues pruned to eliminate duplicates Z: 18 12.311 1.765 0.454 0.477 0.941 0.471 CB 1.265 17 residues pruned to eliminate duplicates Z: 9 14.906 1.962 0.589 0.815 0.875 0.625 CB 1.469 11 residues pruned to eliminate duplicates Z: 7 8.411 2.031 0.303 0.578 0.833 0.333 CA 1.444 7 residues pruned to eliminate duplicates Z: 16 10.629 1.970 0.358 0.361 0.867 0.400 CB 1.375 16 residues pruned to eliminate duplicates Z: 6 4.430 1.492 0.440 0.367 1.000 0.800 CB 1.064 6 residues pruned to eliminate duplicates Z: 8 4.819 1.828 0.366 0.382 0.714 0.429 CA 1.159 8 residues pruned to eliminate duplicates Z: 17 10.455 2.009 0.500 0.298 0.812 0.500 CB 1.338 17 residues pruned to eliminate duplicates Z: 9 4.347 1.742 0.631 0.354 0.750 0.375 CB 0.845 9 residues pruned to eliminate duplicates Z: 7 6.184 2.016 0.547 0.493 0.833 0.667 CB 0.978 7 residues pruned to eliminate duplicates Z: 23 17.511 2.167 0.406 0.470 0.864 0.727 CB 1.463 23 residues pruned to eliminate duplicates Z: 15 13.935 2.145 0.681 0.318 0.857 0.500 CB 1.472 15 residues pruned to eliminate duplicates Z: 36 23.742 2.161 0.413 0.533 0.857 0.600 CB 1.484 36 residues pruned to eliminate duplicates Z: 7 7.754 1.769 0.423 0.495 1.000 0.667 C 1.264 7 residues pruned to eliminate duplicates Z: 10 7.985 2.111 0.560 0.211 0.667 0.444 CA 1.704 10 residues pruned to eliminate duplicates Z: 16 9.336 2.061 0.408 0.308 0.733 0.467 CB 1.402 16 residues pruned to eliminate duplicates Z: 27 21.977 2.238 0.423 0.513 0.846 0.654 CB 1.578 27 residues pruned to eliminate duplicates Z: 46 29.226 2.117 0.543 0.592 0.867 0.511 CB 1.410 46 residues pruned to eliminate duplicates Z: 26 23.373 2.228 0.618 0.497 0.840 0.640 CB 1.549 26 residues pruned to eliminate duplicates Z: 16 22.034 2.150 0.472 0.641 0.933 0.600 CB 1.688 16 residues pruned to eliminate duplicates Z: 50 36.500 2.145 0.599 0.628 0.939 0.612 CB 1.436 50 residues pruned to eliminate duplicates Z: 32 36.421 2.149 0.903 0.639 0.871 0.677 CB 1.613 32 residues pruned to eliminate duplicates Z: 16 24.560 2.161 0.713 0.700 0.933 0.667 CB 1.529 16 residues pruned to eliminate duplicates Z: 15 20.072 2.200 0.628 0.676 0.786 0.643 CB 1.622 15 residues pruned to eliminate duplicates Z: 30 40.505 2.205 0.950 0.681 0.931 0.759 CB 1.591 30 residues pruned to eliminate duplicates Z: 57 34.147 2.127 0.545 0.579 0.911 0.607 CB 1.413 57 residues pruned to eliminate duplicates Z: 50 34.006 2.144 0.569 0.637 0.918 0.653 CB 1.383 50 residues pruned to eliminate duplicates Z: 33 33.287 2.177 0.794 0.636 0.875 0.688 CB 1.515 33 residues pruned to eliminate duplicates Z: 51 45.784 2.212 0.817 0.569 0.920 0.620 CB 1.639 51 residues pruned to eliminate duplicates Z: 23 23.890 2.023 0.944 0.521 0.818 0.636 CB 1.550 23 residues pruned to eliminate duplicates Z: 38 30.638 2.154 0.648 0.553 0.865 0.676 CB 1.559 38 residues pruned to eliminate duplicates Z: 38 34.941 2.155 0.834 0.576 0.865 0.676 CB 1.562 38 residues pruned to eliminate duplicates Z: 38 35.486 2.179 0.777 0.570 0.865 0.676 CB 1.628 38 residues pruned to eliminate duplicates Z: 45 42.796 2.157 0.865 0.651 0.932 0.659 CB 1.496 45 residues pruned to eliminate duplicates Z: 19 28.310 2.064 1.225 0.611 0.833 0.667 CB 1.569 19 residues pruned to eliminate duplicates Z: 20 21.855 1.988 1.118 0.557 0.737 0.579 CB 1.529 20 residues pruned to eliminate duplicates Z: 31 36.578 2.160 1.076 0.629 0.900 0.733 CB 1.465 31 residues pruned to eliminate duplicates Z: 34 30.522 2.064 0.825 0.581 0.879 0.606 CB 1.485 34 residues pruned to eliminate duplicates Z: 20 26.289 1.999 1.117 0.581 0.895 0.579 CB 1.474 20 residues pruned to eliminate duplicates Z: 31 36.296 2.195 1.023 0.624 0.867 0.667 CB 1.532 31 residues pruned to eliminate duplicates Z: 23 30.762 2.124 0.935 0.602 0.955 0.545 CB 1.518 23 residues pruned to eliminate duplicates Z: 38 34.961 2.213 0.817 0.529 0.892 0.649 CB 1.557 38 residues pruned to eliminate duplicates Z: 19 26.128 2.125 1.035 0.527 0.889 0.556 CB 1.560 19 residues pruned to eliminate duplicates Z: 51 42.228 2.211 0.799 0.561 0.900 0.700 CB 1.573 51 residues pruned to eliminate duplicates Z: 31 33.102 2.108 0.998 0.595 0.900 0.600 CB 1.456 31 residues pruned to eliminate duplicates Z: 42 40.320 2.198 0.848 0.616 0.927 0.610 CB 1.499 42 residues pruned to eliminate duplicates Z: 22 27.589 2.091 0.908 0.546 0.952 0.619 CA 1.514 22 residues pruned to eliminate duplicates Z: 44 43.121 2.207 0.874 0.622 0.930 0.628 CB 1.524 44 residues pruned to eliminate duplicates Z: 46 35.744 2.107 0.902 0.585 0.867 0.556 CB 1.414 46 residues pruned to eliminate duplicates Z: 44 44.503 2.227 0.926 0.641 0.860 0.698 CB 1.611 44 residues pruned to eliminate duplicates Z: 33 32.786 2.163 0.909 0.528 0.906 0.531 CB 1.507 33 residues pruned to eliminate duplicates Z: 27 22.859 2.101 0.686 0.476 0.846 0.500 CB 1.532 27 residues pruned to eliminate duplicates Z: 47 36.587 2.142 0.806 0.537 0.891 0.652 CB 1.508 47 residues pruned to eliminate duplicates Z: 33 33.472 2.185 0.888 0.578 0.906 0.656 CB 1.468 33 residues pruned to eliminate duplicates Z: 17 16.741 2.033 0.494 0.567 0.938 0.750 CB 1.377 17 residues pruned to eliminate duplicates Z: 45 29.347 2.064 0.867 0.493 0.841 0.568 CB 1.375 45 residues pruned to eliminate duplicates Z: 52 39.959 2.195 0.843 0.545 0.902 0.686 CB 1.468 52 residues pruned to eliminate duplicates Z: 24 20.666 2.115 0.832 0.474 0.870 0.652 CB 1.313 24 residues pruned to eliminate duplicates Z: 26 19.062 2.052 0.691 0.457 0.880 0.520 CB 1.305 26 residues pruned to eliminate duplicates Z: 12 7.117 2.000 0.590 0.319 0.727 0.273 CB 1.133 12 residues pruned to eliminate duplicates Z: 139 60.188 2.138 0.767 0.576 0.870 0.601 CB 1.450 139 residues pruned to eliminate duplicates Z: 60 29.614 2.091 0.661 0.431 0.847 0.492 CB 1.407 60 residues pruned to eliminate duplicates Z: 13 8.710 2.063 0.419 0.358 0.917 0.500 CB 1.093 13 residues pruned to eliminate duplicates Z: 17 8.772 1.911 0.330 0.392 0.938 0.562 CB 1.032 17 residues pruned to eliminate duplicates Z: 13 9.458 2.112 0.448 0.304 0.917 0.500 CB 1.210 13 residues pruned to eliminate duplicates Z: 47 29.874 2.058 0.763 0.527 0.870 0.630 CB 1.360 47 residues pruned to eliminate duplicates Z: 35 39.476 2.149 0.967 0.655 0.941 0.529 CB 1.474 35 residues pruned to eliminate duplicates Z: 127 57.520 2.114 0.724 0.552 0.929 0.595 CB 1.439 127 residues pruned to eliminate duplicates Z: 56 43.280 2.112 0.794 0.619 0.909 0.673 CB 1.514 56 residues pruned to eliminate duplicates Z: 99 53.108 2.143 0.783 0.594 0.878 0.633 CB 1.463 99 residues pruned to eliminate duplicates Z: 37 36.112 2.174 0.798 0.649 0.889 0.611 CA 1.508 37 residues pruned to eliminate duplicates Z: 37 36.517 2.142 0.833 0.628 0.889 0.528 CB 1.546 37 residues pruned to eliminate duplicates Z: 78 49.459 2.112 0.787 0.613 0.922 0.675 CB 1.455 78 residues pruned to eliminate duplicates Z: 77 48.791 2.115 0.746 0.638 0.908 0.618 CB 1.467 77 residues pruned to eliminate duplicates Z: 46 31.709 2.097 0.730 0.550 0.867 0.644 CB 1.431 46 residues pruned to eliminate duplicates Z: 49 37.682 2.048 0.863 0.550 0.938 0.500 CB 1.449 49 residues pruned to eliminate duplicates Z: 52 40.243 2.092 0.841 0.628 0.882 0.608 CB 1.471 52 residues pruned to eliminate duplicates Z: 61 40.822 2.071 0.772 0.599 0.883 0.633 CB 1.479 61 residues pruned to eliminate duplicates Z: 74 51.368 2.127 0.787 0.661 0.918 0.644 CB 1.485 74 residues pruned to eliminate duplicates Z: 51 42.923 2.077 0.769 0.632 0.960 0.620 CB 1.521 51 residues pruned to eliminate duplicates Z: 38 34.085 2.133 0.813 0.615 0.892 0.595 CB 1.457 38 residues pruned to eliminate duplicates Z: 54 39.940 2.128 0.714 0.612 0.925 0.547 CB 1.463 54 residues pruned to eliminate duplicates Z: 38 35.535 2.126 0.782 0.614 0.919 0.541 CB 1.506 38 residues pruned to eliminate duplicates Z: 55 40.464 2.115 0.758 0.624 0.889 0.630 CB 1.483 55 residues pruned to eliminate duplicates Z: 40 31.606 2.095 0.738 0.579 0.872 0.564 CA 1.479 40 residues pruned to eliminate duplicates Z: 104 48.701 2.084 0.722 0.560 0.903 0.621 CB 1.397 104 residues pruned to eliminate duplicates Z: 74 47.262 2.101 0.743 0.661 0.890 0.658 CB 1.461 74 residues pruned to eliminate duplicates Z: 55 42.127 2.101 0.735 0.608 0.944 0.611 CB 1.502 55 residues pruned to eliminate duplicates Z: 38 38.690 2.092 0.867 0.649 0.973 0.568 CA 1.457 38 residues pruned to eliminate duplicates Z: 54 35.567 2.018 0.682 0.575 0.887 0.547 CA 1.510 54 residues pruned to eliminate duplicates Z: 89 49.723 2.114 0.768 0.606 0.898 0.625 CB 1.428 89 residues pruned to eliminate duplicates Z: 39 37.796 2.130 0.867 0.622 0.921 0.605 CA 1.491 39 residues pruned to eliminate duplicates Z: 50 37.126 2.054 0.700 0.606 0.939 0.653 CA 1.462 50 residues pruned to eliminate duplicates Z: 105 42.142 2.086 0.600 0.523 0.875 0.538 CB 1.382 105 residues pruned to eliminate duplicates Z: 73 45.004 2.098 0.635 0.628 0.931 0.667 CB 1.473 73 residues pruned to eliminate duplicates Z: 41 31.763 2.042 0.661 0.578 0.975 0.625 CB 1.408 41 residues pruned to eliminate duplicates Z: 45 31.683 2.033 0.633 0.571 0.886 0.568 CB 1.515 45 residues pruned to eliminate duplicates Z: 48 41.187 2.076 0.698 0.663 0.957 0.723 CB 1.530 48 residues pruned to eliminate duplicates Z: 83 44.666 2.101 0.571 0.615 0.927 0.622 CB 1.447 83 residues pruned to eliminate duplicates Z: 55 38.776 2.058 0.679 0.579 0.963 0.593 CB 1.469 55 residues pruned to eliminate duplicates Z: 89 46.421 2.111 0.671 0.583 0.920 0.648 CB 1.406 89 residues pruned to eliminate duplicates Z: 141 63.230 2.135 0.721 0.582 0.914 0.579 CB 1.470 141 residues pruned to eliminate duplicates Z: 138 65.071 2.140 0.765 0.605 0.949 0.606 CB 1.403 138 residues pruned to eliminate duplicates Z: 49 38.832 2.041 0.713 0.637 0.958 0.625 CB 1.471 49 residues pruned to eliminate duplicates Z: 48 41.429 2.114 0.734 0.634 0.957 0.638 CB 1.518 48 residues pruned to eliminate duplicates Z: 47 37.487 2.061 0.702 0.624 0.957 0.630 CB 1.466 47 residues pruned to eliminate duplicates Z: 96 50.838 2.114 0.734 0.579 0.937 0.611 CB 1.409 96 residues pruned to eliminate duplicates Z: 49 32.111 2.060 0.559 0.564 0.896 0.583 CA 1.514 49 residues pruned to eliminate duplicates Z: 86 49.555 2.116 0.741 0.600 0.918 0.635 CB 1.446 86 residues pruned to eliminate duplicates Z: 123 53.304 2.105 0.611 0.558 0.943 0.598 CB 1.426 123 residues pruned to eliminate duplicates Z: 40 34.177 2.117 0.751 0.636 0.923 0.744 CB 1.408 40 residues pruned to eliminate duplicates Z: 84 45.220 2.080 0.756 0.580 0.904 0.614 CB 1.392 84 residues pruned to eliminate duplicates Z: 68 46.323 2.125 0.788 0.608 0.925 0.657 CB 1.453 68 residues pruned to eliminate duplicates Z: 54 31.345 2.112 0.547 0.540 0.887 0.566 CB 1.429 54 residues pruned to eliminate duplicates Z: 55 43.309 2.085 0.725 0.643 0.981 0.667 CB 1.461 55 residues pruned to eliminate duplicates Z: 115 55.372 2.127 0.720 0.575 0.921 0.649 CB 1.431 115 residues pruned to eliminate duplicates Z: 9 18.185 2.177 0.925 0.630 0.875 0.875 CB 1.552 9 residues pruned to eliminate duplicates Z: 90 48.276 2.128 0.705 0.576 0.910 0.618 CB 1.440 90 residues pruned to eliminate duplicates Z: 26 23.370 2.012 0.685 0.604 0.920 0.560 CB 1.358 26 residues pruned to eliminate duplicates Z: 55 32.558 2.099 0.699 0.526 0.870 0.574 CB 1.391 55 residues pruned to eliminate duplicates Z: 38 25.290 2.007 0.766 0.527 0.892 0.649 CB 1.280 38 residues pruned to eliminate duplicates Z: 35 27.639 2.130 0.705 0.582 0.882 0.618 CB 1.367 35 residues pruned to eliminate duplicates Z: 65 31.124 2.110 0.529 0.511 0.875 0.469 CB 1.362 65 residues pruned to eliminate duplicates Z: 43 24.710 2.068 0.686 0.451 0.857 0.452 CB 1.341 43 residues pruned to eliminate duplicates Z: 55 27.303 2.055 0.621 0.452 0.907 0.389 CB 1.291 55 residues pruned to eliminate duplicates Z: 157 61.253 2.120 0.753 0.542 0.885 0.603 CB 1.433 157 residues pruned to eliminate duplicates Z: 28 32.052 2.133 0.835 0.664 0.926 0.667 CB 1.462 28 residues pruned to eliminate duplicates Z: 88 52.077 2.141 0.751 0.611 0.931 0.655 CB 1.440 88 residues pruned to eliminate duplicates Z: 28 27.644 2.082 0.756 0.653 0.889 0.704 CB 1.420 28 residues pruned to eliminate duplicates Z: 72 49.443 2.099 0.816 0.618 0.944 0.620 CB 1.460 72 residues pruned to eliminate duplicates Z: 79 49.490 2.102 0.729 0.619 0.936 0.679 CB 1.472 79 residues pruned to eliminate duplicates Z: 26 20.275 1.936 0.751 0.604 0.880 0.640 CB 1.231 26 residues pruned to eliminate duplicates Z: 38 26.508 2.035 0.615 0.565 0.946 0.676 CB 1.316 38 residues pruned to eliminate duplicates Z: 24 22.852 2.024 0.712 0.604 1.000 0.609 CB 1.245 24 residues pruned to eliminate duplicates Z: 23 26.086 2.014 0.807 0.662 0.955 0.591 CB 1.377 23 residues pruned to eliminate duplicates Z: 98 48.397 2.092 0.702 0.579 0.938 0.608 CB 1.364 98 residues pruned to eliminate duplicates Z: 40 33.459 2.105 0.720 0.586 0.923 0.615 CB 1.476 40 residues pruned to eliminate duplicates Z: 118 58.320 2.139 0.715 0.580 0.940 0.547 CB 1.448 118 residues pruned to eliminate duplicates Z: 51 37.389 2.112 0.705 0.582 0.940 0.620 CB 1.444 51 residues pruned to eliminate duplicates Z: 44 31.136 2.058 0.741 0.552 0.907 0.721 CB 1.389 44 residues pruned to eliminate duplicates Z: 36 28.536 2.095 0.696 0.569 0.914 0.686 CB 1.389 36 residues pruned to eliminate duplicates Z: 35 28.612 2.093 0.663 0.595 0.941 0.647 CB 1.368 35 residues pruned to eliminate duplicates Z: 133 52.626 2.172 0.611 0.488 0.924 0.553 CB 1.433 133 residues pruned to eliminate duplicates Z: 35 29.491 2.116 0.685 0.596 0.941 0.735 CB 1.374 35 residues pruned to eliminate duplicates Z: 43 32.798 2.112 0.794 0.550 0.905 0.714 CB 1.406 43 residues pruned to eliminate duplicates Z: 36 28.075 2.049 0.761 0.577 0.943 0.629 CB 1.296 36 residues pruned to eliminate duplicates Z: 43 25.557 2.067 0.663 0.438 0.929 0.500 CB 1.317 43 residues pruned to eliminate duplicates Z: 50 29.404 2.106 0.716 0.489 0.878 0.571 CB 1.339 50 residues pruned to eliminate duplicates Z: 14 4.424 1.712 0.214 0.232 0.769 0.308 CB 1.049 14 residues pruned to eliminate duplicates Z: 48 28.468 2.109 0.754 0.480 0.894 0.511 CB 1.282 48 residues pruned to eliminate duplicates Z: 36 23.361 2.037 0.639 0.560 0.914 0.657 CB 1.221 36 residues pruned to eliminate duplicates Z: 8 4.184 1.846 0.216 0.300 0.714 0.286 CB 1.233 8 residues pruned to eliminate duplicates Z: 43 21.738 2.009 0.582 0.427 0.857 0.357 CB 1.327 43 residues pruned to eliminate duplicates Z: 50 26.460 2.096 0.782 0.469 0.837 0.490 CB 1.248 50 residues pruned to eliminate duplicates Z: 14 6.531 1.898 0.599 0.166 0.846 0.385 CB 1.059 14 residues pruned to eliminate duplicates Z: 10 10.862 1.767 0.696 0.335 1.000 0.444 C 1.447 10 residues pruned to eliminate duplicates Z: 78 41.052 2.200 0.752 0.478 0.857 0.506 CB 1.448 78 residues pruned to eliminate duplicates Z: 12 11.776 1.988 0.866 0.407 0.909 0.364 CB 1.160 12 residues pruned to eliminate duplicates Z: 67 39.029 2.199 0.682 0.531 0.909 0.545 CB 1.387 67 residues pruned to eliminate duplicates Z: 14 13.702 2.159 0.835 0.361 0.769 0.385 CB 1.449 14 residues pruned to eliminate duplicates Z: 18 12.380 1.835 0.794 0.322 1.000 0.294 CB 1.109 18 residues pruned to eliminate duplicates Z: 60 41.445 2.179 0.844 0.554 0.915 0.492 CB 1.392 60 residues pruned to eliminate duplicates Z: 19 11.461 2.119 0.724 0.312 0.778 0.389 CB 1.171 19 residues pruned to eliminate duplicates Z: 20 11.522 1.985 0.690 0.379 0.789 0.474 CB 1.136 20 residues pruned to eliminate duplicates Z: 80 47.056 2.209 0.800 0.522 0.911 0.430 CB 1.429 80 residues pruned to eliminate duplicates Z: 41 34.795 2.204 0.738 0.594 0.900 0.575 CB 1.459 41 residues pruned to eliminate duplicates Z: 38 33.118 2.065 0.717 0.636 0.892 0.568 CB 1.515 38 residues pruned to eliminate duplicates Z: 48 32.443 2.078 0.728 0.543 0.894 0.468 CB 1.415 48 residues pruned to eliminate duplicates Z: 69 37.516 2.177 0.758 0.545 0.853 0.559 CB 1.334 69 residues pruned to eliminate duplicates Z: 66 49.424 2.203 0.746 0.574 0.969 0.585 CB 1.531 66 residues pruned to eliminate duplicates Z: 63 44.850 2.189 0.842 0.506 0.903 0.500 CB 1.554 63 residues pruned to eliminate duplicates Z: 23 23.974 2.050 0.830 0.642 0.909 0.455 CB 1.312 23 residues pruned to eliminate duplicates Z: 55 33.426 2.119 0.822 0.518 0.889 0.574 CB 1.302 55 residues pruned to eliminate duplicates Z: 42 41.029 2.204 0.840 0.659 0.927 0.683 CB 1.471 42 residues pruned to eliminate duplicates Z: 49 34.033 2.106 0.896 0.604 0.812 0.542 CB 1.372 49 residues pruned to eliminate duplicates Z: 67 44.155 2.185 0.805 0.536 0.894 0.530 CB 1.488 67 residues pruned to eliminate duplicates Z: 64 50.181 2.235 0.866 0.567 0.921 0.619 CB 1.543 64 residues pruned to eliminate duplicates Z: 64 42.834 2.218 0.791 0.512 0.905 0.603 CB 1.483 64 residues pruned to eliminate duplicates Z: 43 42.830 2.195 0.924 0.662 0.952 0.643 CB 1.414 43 residues pruned to eliminate duplicates Z: 77 53.779 2.235 0.889 0.534 0.934 0.553 CB 1.513 77 residues pruned to eliminate duplicates Z: 43 41.822 2.205 0.953 0.655 0.905 0.667 CB 1.434 43 residues pruned to eliminate duplicates Z: 30 26.700 2.011 0.737 0.586 0.931 0.621 CB 1.403 30 residues pruned to eliminate duplicates Z: 64 48.731 2.221 0.857 0.570 0.921 0.587 CB 1.511 64 residues pruned to eliminate duplicates Z: 57 41.422 2.168 0.993 0.553 0.893 0.518 CB 1.363 57 residues pruned to eliminate duplicates Z: 43 38.270 2.168 0.871 0.630 0.881 0.524 CB 1.462 43 residues pruned to eliminate duplicates Z: 81 46.767 2.184 0.870 0.493 0.887 0.425 CB 1.453 81 residues pruned to eliminate duplicates Z: 42 34.985 2.178 0.855 0.575 0.878 0.415 CB 1.433 42 residues pruned to eliminate duplicates Z: 42 42.988 2.201 0.931 0.667 0.927 0.463 CB 1.460 42 residues pruned to eliminate duplicates Z: 65 47.412 2.194 0.856 0.534 0.922 0.516 CB 1.526 65 residues pruned to eliminate duplicates Z: 24 23.794 2.203 1.057 0.469 0.826 0.478 CB 1.367 24 residues pruned to eliminate duplicates Z: 61 38.606 2.203 0.744 0.474 0.883 0.517 CB 1.508 61 residues pruned to eliminate duplicates Z: 43 37.140 2.240 0.819 0.458 0.929 0.452 CB 1.581 43 residues pruned to eliminate duplicates Z: 42 38.868 2.288 0.846 0.459 0.927 0.610 CB 1.617 43 residues pruned to eliminate duplicates Z: 10 27.622 2.156 1.257 0.870 0.889 0.778 CB 1.554 10 residues pruned to eliminate duplicates Z: 44 39.163 2.118 0.937 0.648 0.907 0.558 CB 1.399 44 residues pruned to eliminate duplicates Z: 64 51.867 2.226 0.943 0.579 0.921 0.429 CB 1.521 64 residues pruned to eliminate duplicates Z: 43 45.318 2.158 1.057 0.659 0.905 0.714 CB 1.502 43 residues pruned to eliminate duplicates Z: 46 39.635 2.253 0.892 0.496 0.867 0.600 CB 1.607 46 residues pruned to eliminate duplicates Z: 44 39.475 2.158 0.959 0.672 0.860 0.605 CB 1.412 44 residues pruned to eliminate duplicates Z: 27 34.484 2.271 1.107 0.577 0.846 0.462 CB 1.551 27 residues pruned to eliminate duplicates Z: 67 48.265 2.180 0.894 0.561 0.909 0.576 CB 1.492 67 residues pruned to eliminate duplicates Z: 25 23.640 2.185 0.988 0.617 0.792 0.625 CB 1.257 25 residues pruned to eliminate duplicates Z: 111 56.207 2.139 0.831 0.538 0.900 0.564 CB 1.465 111 residues pruned to eliminate duplicates Z: 48 39.218 2.175 0.925 0.505 0.872 0.574 CB 1.558 48 residues pruned to eliminate duplicates Z: 45 43.332 2.250 0.954 0.526 0.932 0.614 CB 1.554 44 residues pruned to eliminate duplicates Z: 9 7.681 1.771 0.381 0.526 0.875 0.625 CA 1.237 9 residues pruned to eliminate duplicates Z: 20 21.285 2.246 0.635 0.400 0.947 0.526 CA 1.560 20 residues pruned to eliminate duplicates Z: 6 10.264 1.843 0.978 0.443 1.000 0.600 CB 1.334 6 residues pruned to eliminate duplicates Z: 20 21.699 2.145 0.703 0.431 0.947 0.474 CA 1.544 20 residues pruned to eliminate duplicates Z: 21 28.357 2.298 0.812 0.412 1.000 0.700 CB 1.670 21 residues pruned to eliminate duplicates Z: 6 10.522 2.194 0.573 0.700 0.800 0.600 CA 1.421 6 residues pruned to eliminate duplicates Z: 22 24.802 2.197 0.645 0.447 1.000 0.619 CA 1.581 21 residues pruned to eliminate duplicates Z: 7 9.424 1.942 0.729 0.617 0.833 0.500 CA 1.231 7 residues pruned to eliminate duplicates Z: 46 41.037 2.222 0.965 0.509 0.889 0.622 CB 1.562 46 residues pruned to eliminate duplicates Z: 26 19.569 2.107 0.677 0.345 0.880 0.360 CA 1.489 26 residues pruned to eliminate duplicates Z: 46 48.703 2.230 0.960 0.556 0.978 0.489 CB 1.609 47 residues pruned to eliminate duplicates Z: 7 11.253 1.889 0.997 0.595 0.833 0.500 CB 1.336 7 residues pruned to eliminate duplicates Z: 41 29.328 2.153 0.651 0.448 0.875 0.525 CA 1.572 43 residues pruned to eliminate duplicates Z: 7 14.571 1.890 1.536 0.500 1.000 0.667 CB 1.241 7 residues pruned to eliminate duplicates Z: 23 19.037 2.117 0.613 0.419 0.864 0.500 CA 1.498 23 residues pruned to eliminate duplicates Z: 65 48.340 2.191 0.843 0.562 0.922 0.625 CB 1.529 65 residues pruned to eliminate duplicates Z: 24 18.137 2.118 0.481 0.359 0.913 0.565 CA 1.537 24 residues pruned to eliminate duplicates Z: 19 29.428 2.265 0.963 0.427 1.000 0.556 CA 1.682 19 residues pruned to eliminate duplicates Z: 40 29.943 2.187 0.754 0.459 0.846 0.462 CB 1.539 40 residues pruned to eliminate duplicates Z: 27 24.895 2.128 0.677 0.564 0.846 0.692 CB 1.519 27 residues pruned to eliminate duplicates Z: 27 27.565 2.139 0.883 0.548 0.885 0.538 CB 1.447 27 residues pruned to eliminate duplicates Z: 30 27.981 2.167 0.751 0.560 0.897 0.552 CB 1.441 30 residues pruned to eliminate duplicates Z: 30 29.297 2.130 0.735 0.574 0.897 0.552 CB 1.529 30 residues pruned to eliminate duplicates Z: 30 30.888 2.163 0.811 0.560 0.931 0.586 CB 1.483 30 residues pruned to eliminate duplicates Z: 19 27.777 2.192 0.881 0.641 0.889 0.611 CB 1.565 19 residues pruned to eliminate duplicates Z: 18 23.769 2.188 0.654 0.673 0.882 0.647 CB 1.539 18 residues pruned to eliminate duplicates Z: 20 21.749 2.081 0.739 0.607 0.842 0.632 CB 1.480 20 residues pruned to eliminate duplicates Z: 29 27.990 2.126 0.812 0.550 0.857 0.500 CB 1.526 29 residues pruned to eliminate duplicates Z: 31 29.866 2.113 0.711 0.595 0.933 0.633 CB 1.477 31 residues pruned to eliminate duplicates Z: 30 30.923 2.157 0.863 0.567 0.897 0.552 CB 1.494 30 residues pruned to eliminate duplicates Z: 14 23.384 1.963 0.855 0.803 1.000 0.538 CA 1.367 14 residues pruned to eliminate duplicates Z: 30 32.082 2.178 0.809 0.565 0.931 0.586 CB 1.525 30 residues pruned to eliminate duplicates Z: 14 20.571 2.002 0.789 0.787 0.923 0.615 CA 1.342 14 residues pruned to eliminate duplicates Z: 24 24.789 2.078 0.721 0.555 0.913 0.435 CB 1.500 24 residues pruned to eliminate duplicates Z: 32 25.428 2.012 0.779 0.518 0.871 0.452 CB 1.439 32 residues pruned to eliminate duplicates Z: 28 26.505 2.118 0.817 0.572 0.852 0.593 CB 1.451 28 residues pruned to eliminate duplicates Z: 11 20.402 2.203 0.823 0.549 1.000 0.600 CB 1.531 11 residues pruned to eliminate duplicates Z: 6 3.956 1.543 1.358 0.269 0.600 0.400 CA 1.054 6 residues pruned to eliminate duplicates Z: 13 13.040 2.013 0.831 0.448 0.833 0.583 CB 1.293 12 residues pruned to eliminate duplicates Z: 6 6.263 1.472 0.975 0.345 1.000 0.400 CB 1.140 6 residues pruned to eliminate duplicates Z: 10 25.307 2.216 1.169 0.619 1.000 0.778 CB 1.569 11 residues pruned to eliminate duplicates Z: 6 3.061 1.429 1.003 0.446 0.800 0.600 CA 0.632 6 residues pruned to eliminate duplicates Z: 22 21.672 2.098 0.999 0.387 0.857 0.429 CB 1.483 22 residues pruned to eliminate duplicates Z: 11 10.544 1.729 0.767 0.532 0.800 0.700 CA 1.322 11 residues pruned to eliminate duplicates Z: 23 24.626 2.097 0.960 0.439 0.864 0.545 CB 1.574 23 residues pruned to eliminate duplicates Z: 29 19.671 2.007 0.763 0.383 0.821 0.393 CB 1.448 30 residues pruned to eliminate duplicates Z: 7 4.153 1.225 0.920 0.435 1.000 0.500 CB 0.771 7 residues pruned to eliminate duplicates Z: 6 7.367 2.137 0.914 0.266 0.800 0.200 CB 1.314 6 residues pruned to eliminate duplicates Z: 23 16.373 2.045 0.776 0.409 0.727 0.500 CB 1.453 23 residues pruned to eliminate duplicates Z: 22 28.740 2.152 1.018 0.464 1.000 0.476 CB 1.497 22 residues pruned to eliminate duplicates Z: 13 10.242 1.915 1.009 0.430 0.750 0.417 CB 1.101 13 residues pruned to eliminate duplicates Z: 29 23.777 2.068 0.806 0.440 0.893 0.571 CB 1.434 29 residues pruned to eliminate duplicates Z: 7 8.499 1.848 0.687 0.498 0.833 0.500 CB 1.338 7 residues pruned to eliminate duplicates Z: 11 12.565 2.070 0.968 0.515 1.000 0.400 CB 0.961 11 residues pruned to eliminate duplicates Z: 11 16.392 2.144 0.958 0.519 1.000 0.500 CB 1.212 11 residues pruned to eliminate duplicates Z: 9 12.417 2.175 0.968 0.436 1.000 0.500 CB 1.095 9 residues pruned to eliminate duplicates Z: 23 21.723 2.135 0.693 0.417 0.955 0.727 CB 1.464 23 residues pruned to eliminate duplicates Z: 22 24.002 2.188 0.697 0.472 1.000 0.714 CB 1.451 22 residues pruned to eliminate duplicates Z: 24 22.914 2.054 0.831 0.436 0.957 0.739 CB 1.419 24 residues pruned to eliminate duplicates Z: 24 22.993 2.121 0.785 0.412 0.957 0.609 CB 1.451 24 residues pruned to eliminate duplicates Z: 24 18.419 1.766 0.992 0.524 0.957 0.652 CB 1.114 31 residues pruned to eliminate duplicates Z: 6 8.108 1.700 1.106 0.402 1.000 0.400 N 1.123 6 residues pruned to eliminate duplicates Z: 25 21.795 2.055 0.748 0.411 0.917 0.625 CB 1.483 25 residues pruned to eliminate duplicates Z: 19 18.796 2.025 0.726 0.418 1.000 0.722 CB 1.381 19 residues pruned to eliminate duplicates Z: 19 15.771 1.973 0.790 0.346 0.889 0.722 CA 1.399 19 residues pruned to eliminate duplicates Z: 26 23.778 2.032 0.735 0.445 1.000 0.560 CB 1.427 25 residues pruned to eliminate duplicates Z: 6 14.927 2.211 0.568 0.643 1.000 0.800 CA 1.684 6 residues pruned to eliminate duplicates Z: 34 21.579 1.933 0.715 0.499 0.939 0.667 CB 1.208 34 residues pruned to eliminate duplicates Z: 23 22.238 2.086 0.870 0.443 0.909 0.727 CB 1.417 23 residues pruned to eliminate duplicates Z: 26 19.381 2.017 0.721 0.375 0.920 0.640 CB 1.386 26 residues pruned to eliminate duplicates Z: 24 25.564 2.156 0.832 0.475 0.957 0.783 CB 1.447 24 residues pruned to eliminate duplicates Z: 25 19.040 2.016 0.893 0.364 0.875 0.583 CB 1.347 25 residues pruned to eliminate duplicates Z: 25 20.759 2.114 0.858 0.361 0.875 0.542 CB 1.431 25 residues pruned to eliminate duplicates Z: 23 20.101 2.109 0.799 0.405 0.864 0.591 CB 1.445 23 residues pruned to eliminate duplicates Z: 24 18.997 2.058 0.735 0.439 0.870 0.609 CB 1.358 24 residues pruned to eliminate duplicates 346 residues left after pruning, divided into chains as follows: A: 282 B: 29 C: 35 CC for partial structure against native data = 41.82 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.342, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.391, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.466, Connect. = 0.759 for dens.mod. cycle 3 = 0.300, Contrast = 0.471, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.481, Connect. = 0.762 for dens.mod. cycle 5 = 0.300, Contrast = 0.486, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.492, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.496, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.500, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.503, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2579 peaks > 0.5 sigma used to seed fragment search Space for about 388 unique residues taking solvent into account 511 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 24.495 2.147 0.675 0.903 1.000 0.667 CB 1.401 B: 13 25.645 2.095 0.616 0.904 1.000 0.833 CB 1.558 13 residues pruned to eliminate duplicates C: 11 19.704 2.242 0.524 0.798 0.900 0.500 CB 1.561 D: 12 19.798 2.084 0.354 0.823 1.000 0.636 CB 1.599 11 residues pruned to eliminate duplicates E: 12 28.054 2.227 0.668 0.925 1.000 0.909 CB 1.598 13 residues pruned to eliminate duplicates F: 9 24.322 2.364 0.604 0.923 1.000 0.875 CB 1.594 9 residues pruned to eliminate duplicates G: 14 19.980 1.945 0.509 0.832 1.000 0.692 CA 1.418 12 residues pruned to eliminate duplicates H: 14 32.956 2.211 1.153 0.860 0.923 0.615 CB 1.531 I: 13 27.086 2.088 0.561 0.929 1.000 1.000 CB 1.679 13 residues pruned to eliminate duplicates J: 17 20.082 2.046 0.835 0.425 0.875 0.562 CB 1.653 K: 23 20.935 1.984 0.543 0.607 0.955 0.500 CB 1.380 L: 11 16.778 2.033 0.857 0.590 0.900 0.800 CB 1.432 M: 85 47.192 2.087 0.636 0.612 0.940 0.595 CB 1.442 N: 12 22.628 1.936 0.623 0.891 1.000 0.909 CB 1.560 12 residues pruned to eliminate duplicates O: 10 23.932 2.209 0.631 0.917 1.000 0.889 CB 1.562 10 residues pruned to eliminate duplicates P: 54 40.612 2.130 0.694 0.615 0.887 0.566 CB 1.564 53 residues pruned to eliminate duplicates Q: 15 34.684 2.101 1.220 0.885 1.000 0.786 CB 1.435 14 residues pruned to eliminate duplicates R: 48 32.276 2.088 0.732 0.539 0.851 0.574 CB 1.473 38 residues pruned to eliminate duplicates S: 24 22.000 2.145 0.649 0.573 0.826 0.652 CB 1.463 15 residues pruned to eliminate duplicates T: 30 28.130 2.074 0.866 0.560 0.931 0.586 CB 1.368 11 residues pruned to eliminate duplicates U: 13 17.419 2.040 0.416 0.822 0.917 0.667 CA 1.436 17 residues pruned to eliminate duplicates V: 15 18.028 1.948 0.266 0.842 1.000 0.714 CA 1.456 14 residues pruned to eliminate duplicates W: 27 28.786 2.131 0.639 0.704 0.923 0.500 CB 1.454 23 residues pruned to eliminate duplicates X: 63 46.308 2.166 0.896 0.524 0.919 0.532 CB 1.520 49 residues pruned to eliminate duplicates Y: 24 34.396 2.182 0.651 0.837 0.957 0.609 CB 1.557 45 residues pruned to eliminate duplicates Z: 16 43.153 2.073 1.445 0.901 1.000 0.600 CB 1.569 16 residues pruned to eliminate duplicates Z: 14 34.245 2.116 1.128 0.894 1.000 0.923 CB 1.514 14 residues pruned to eliminate duplicates Z: 14 33.529 2.175 1.034 0.893 1.000 0.769 CB 1.509 14 residues pruned to eliminate duplicates Z: 15 10.245 1.949 0.818 0.441 0.786 0.571 CB 1.046 9 residues pruned to eliminate duplicates Z: 46 34.432 2.130 0.738 0.546 0.867 0.644 CB 1.529 Z: 100 48.738 2.145 0.649 0.555 0.899 0.586 CB 1.460 92 residues pruned to eliminate duplicates Z: 14 19.980 2.010 0.428 0.887 1.000 1.000 CA 1.392 14 residues pruned to eliminate duplicates Z: 25 31.780 2.127 0.600 0.859 0.958 0.792 CB 1.464 25 residues pruned to eliminate duplicates Z: 45 41.365 2.251 0.817 0.509 0.909 0.500 CA 1.662 44 residues pruned to eliminate duplicates Z: 20 22.749 1.938 0.782 0.808 0.842 0.632 CA 1.372 20 residues pruned to eliminate duplicates Z: 13 15.434 1.826 0.718 0.737 0.917 0.500 CA 1.253 13 residues pruned to eliminate duplicates Z: 14 32.890 2.194 1.207 0.875 0.923 0.846 CB 1.484 14 residues pruned to eliminate duplicates Z: 14 33.616 2.079 1.166 0.880 1.000 0.846 CA 1.500 14 residues pruned to eliminate duplicates Z: 8 4.526 1.743 0.037 0.644 0.857 0.571 CA 0.965 8 residues pruned to eliminate duplicates Z: 6 6.169 2.014 -0.040 0.752 0.800 0.600 CA 1.425 6 residues pruned to eliminate duplicates Z: 6 9.600 1.788 0.274 0.834 1.000 0.800 CA 1.412 Z: 12 14.789 2.129 0.889 0.493 0.909 0.636 CB 1.228 12 residues pruned to eliminate duplicates Z: 55 41.272 2.080 0.702 0.635 0.944 0.556 CB 1.480 55 residues pruned to eliminate duplicates Z: 22 17.203 1.792 0.650 0.760 0.905 0.714 CB 1.114 22 residues pruned to eliminate duplicates Z: 21 22.821 1.900 0.647 0.819 0.950 0.800 CA 1.301 21 residues pruned to eliminate duplicates Z: 11 24.249 2.278 0.409 0.929 1.000 1.000 CA 1.672 11 residues pruned to eliminate duplicates Z: 47 40.248 2.216 0.791 0.519 0.935 0.587 CB 1.569 47 residues pruned to eliminate duplicates Z: 55 41.431 2.215 0.680 0.569 0.889 0.630 CB 1.594 59 residues pruned to eliminate duplicates Z: 12 8.601 1.892 0.870 0.339 0.818 0.273 CB 1.068 12 residues pruned to eliminate duplicates Z: 68 41.703 2.116 0.633 0.554 0.881 0.493 CB 1.588 67 residues pruned to eliminate duplicates Z: 37 28.520 2.146 0.623 0.500 0.889 0.556 CB 1.535 20 residues pruned to eliminate duplicates Z: 10 13.806 1.874 0.639 0.763 0.889 0.444 CB 1.334 Z: 100 47.471 2.057 0.671 0.571 0.899 0.606 CB 1.442 101 residues pruned to eliminate duplicates Z: 14 22.985 2.018 0.798 0.863 0.923 0.692 CB 1.396 14 residues pruned to eliminate duplicates Z: 26 31.929 2.060 0.682 0.861 0.960 0.680 CB 1.411 26 residues pruned to eliminate duplicates Z: 13 25.831 2.041 0.709 0.903 1.000 0.917 CB 1.524 13 residues pruned to eliminate duplicates Z: 87 49.724 2.097 0.712 0.604 0.942 0.651 CB 1.438 87 residues pruned to eliminate duplicates Z: 13 20.447 1.996 0.657 0.749 1.000 0.750 CB 1.429 13 residues pruned to eliminate duplicates Z: 9 18.145 2.004 0.557 0.814 1.000 1.000 CB 1.565 11 residues pruned to eliminate duplicates Z: 53 40.085 2.075 0.721 0.601 0.942 0.654 CB 1.501 53 residues pruned to eliminate duplicates Z: 18 19.587 2.037 0.433 0.648 0.941 0.765 CA 1.506 18 residues pruned to eliminate duplicates Z: 9 12.385 1.977 0.772 0.537 1.000 0.750 CB 1.206 Z: 13 25.076 2.073 0.764 0.801 1.000 0.917 CA 1.522 13 residues pruned to eliminate duplicates Z: 47 35.937 2.163 0.680 0.534 0.913 0.674 CB 1.543 47 residues pruned to eliminate duplicates Z: 21 10.530 1.741 0.326 0.559 0.950 0.600 CB 1.014 8 residues pruned to eliminate duplicates Z: 13 20.663 1.994 0.520 0.859 1.000 0.833 CA 1.448 13 residues pruned to eliminate duplicates Z: 47 32.903 2.082 0.748 0.523 0.913 0.522 CB 1.426 47 residues pruned to eliminate duplicates Z: 10 13.726 1.795 0.698 0.786 0.889 0.667 CB 1.314 10 residues pruned to eliminate duplicates Z: 47 41.114 2.184 0.884 0.610 0.848 0.565 CB 1.565 47 residues pruned to eliminate duplicates Z: 126 52.433 2.122 0.623 0.554 0.904 0.568 CB 1.429 125 residues pruned to eliminate duplicates Z: 16 29.137 2.133 1.199 0.897 0.733 0.600 CA 1.566 16 residues pruned to eliminate duplicates Z: 13 17.761 2.029 0.514 0.772 0.917 0.667 CB 1.431 13 residues pruned to eliminate duplicates Z: 49 39.587 2.152 0.754 0.544 0.938 0.583 CB 1.547 49 residues pruned to eliminate duplicates Z: 63 41.577 2.143 0.774 0.533 0.887 0.629 CB 1.516 63 residues pruned to eliminate duplicates Z: 6 6.186 1.778 0.362 0.632 0.800 0.600 C 1.262 6 residues pruned to eliminate duplicates Z: 14 25.131 2.063 1.075 0.897 0.923 0.692 CB 1.263 14 residues pruned to eliminate duplicates Z: 13 14.084 1.977 1.045 0.466 0.833 0.417 CA 1.249 13 residues pruned to eliminate duplicates Z: 38 39.125 2.119 0.904 0.659 0.919 0.649 CB 1.498 38 residues pruned to eliminate duplicates Z: 90 48.639 2.127 0.643 0.601 0.921 0.685 CB 1.454 90 residues pruned to eliminate duplicates Z: 21 26.275 2.075 1.060 0.634 0.800 0.650 CB 1.515 21 residues pruned to eliminate duplicates Z: 21 18.170 1.895 0.558 0.779 0.950 0.450 CB 1.133 21 residues pruned to eliminate duplicates Z: 38 21.049 1.943 0.724 0.455 0.892 0.649 CB 1.213 27 residues pruned to eliminate duplicates Z: 21 24.058 1.910 0.818 0.813 0.900 0.750 CB 1.311 21 residues pruned to eliminate duplicates Z: 23 27.890 2.246 0.996 0.609 0.818 0.545 CB 1.462 23 residues pruned to eliminate duplicates Z: 25 35.257 2.152 0.783 0.857 0.958 0.667 CB 1.441 25 residues pruned to eliminate duplicates Z: 7 11.358 1.992 0.959 0.609 1.000 0.333 CB 1.072 Z: 16 12.800 2.103 0.340 0.446 0.867 0.733 CB 1.431 16 residues pruned to eliminate duplicates Z: 6 7.749 1.813 0.108 0.777 1.000 0.600 CB 1.351 6 residues pruned to eliminate duplicates Z: 23 29.836 2.091 0.915 0.593 0.909 0.682 CB 1.598 23 residues pruned to eliminate duplicates Z: 88 47.573 2.125 0.697 0.573 0.908 0.598 CB 1.452 88 residues pruned to eliminate duplicates Z: 29 22.858 2.096 0.726 0.534 0.857 0.607 CB 1.347 29 residues pruned to eliminate duplicates Z: 79 50.975 2.232 0.769 0.547 0.923 0.564 CB 1.512 80 residues pruned to eliminate duplicates Z: 12 28.149 2.294 0.641 0.891 1.000 0.818 CB 1.621 12 residues pruned to eliminate duplicates Z: 25 22.788 2.118 0.664 0.501 0.958 0.583 CB 1.376 26 residues pruned to eliminate duplicates Z: 15 29.373 2.093 0.993 0.891 0.929 0.786 CB 1.457 15 residues pruned to eliminate duplicates Z: 16 20.440 1.927 0.599 0.842 0.933 0.867 CA 1.367 16 residues pruned to eliminate duplicates Z: 9 10.326 1.902 0.424 0.818 0.875 0.750 CB 1.168 9 residues pruned to eliminate duplicates Z: 15 12.581 1.849 0.120 0.817 0.929 0.643 CA 1.328 15 residues pruned to eliminate duplicates Z: 16 15.888 1.935 0.574 0.725 0.867 0.667 CB 1.269 16 residues pruned to eliminate duplicates Z: 21 23.503 1.906 0.613 0.810 0.950 0.650 CB 1.373 21 residues pruned to eliminate duplicates Z: 16 16.750 2.049 0.832 0.329 1.000 0.267 CB 1.390 16 residues pruned to eliminate duplicates Z: 8 8.733 1.954 0.059 0.743 0.857 0.714 CA 1.496 8 residues pruned to eliminate duplicates Z: 12 27.670 2.196 0.713 0.842 1.000 0.818 CA 1.652 12 residues pruned to eliminate duplicates Z: 14 18.306 1.993 0.430 0.794 1.000 0.615 CA 1.377 14 residues pruned to eliminate duplicates Z: 60 35.672 2.111 0.730 0.506 0.898 0.610 CB 1.406 60 residues pruned to eliminate duplicates Z: 15 23.668 2.103 0.595 0.868 1.000 0.714 CB 1.379 15 residues pruned to eliminate duplicates Z: 12 18.656 2.087 0.411 0.758 1.000 0.818 CA 1.518 12 residues pruned to eliminate duplicates Z: 43 33.937 2.155 0.801 0.544 0.881 0.619 CB 1.467 43 residues pruned to eliminate duplicates Z: 6 7.926 1.806 0.785 0.538 1.000 0.600 CA 1.059 6 residues pruned to eliminate duplicates Z: 14 18.808 2.074 0.375 0.779 0.923 0.615 CA 1.549 14 residues pruned to eliminate duplicates Z: 21 19.408 1.919 0.477 0.797 0.950 0.600 CB 1.243 21 residues pruned to eliminate duplicates Z: 13 21.025 2.066 0.540 0.884 0.917 0.750 CB 1.504 13 residues pruned to eliminate duplicates Z: 25 30.281 2.123 0.697 0.859 0.875 0.792 CB 1.443 25 residues pruned to eliminate duplicates Z: 44 41.771 2.205 0.867 0.644 0.860 0.605 CB 1.573 44 residues pruned to eliminate duplicates Z: 16 21.826 1.955 0.471 0.824 1.000 0.600 CA 1.480 16 residues pruned to eliminate duplicates Z: 22 18.419 1.835 0.607 0.776 0.905 0.571 CB 1.180 22 residues pruned to eliminate duplicates Z: 51 41.941 2.191 0.789 0.564 0.880 0.600 CB 1.617 51 residues pruned to eliminate duplicates Z: 7 3.332 1.694 0.565 0.243 0.500 0.500 CB 1.382 7 residues pruned to eliminate duplicates Z: 16 18.888 2.060 0.607 0.601 1.000 0.667 CB 1.338 16 residues pruned to eliminate duplicates Z: 27 30.290 2.080 1.044 0.598 0.808 0.500 CB 1.575 27 residues pruned to eliminate duplicates Z: 9 12.014 1.901 0.444 0.819 1.000 0.875 CB 1.173 9 residues pruned to eliminate duplicates Z: 23 23.431 2.088 0.842 0.466 0.909 0.682 CB 1.479 24 residues pruned to eliminate duplicates Z: 24 19.180 2.035 0.724 0.445 0.870 0.522 CB 1.388 24 residues pruned to eliminate duplicates Z: 13 23.483 2.084 0.584 0.912 0.917 0.750 CB 1.587 13 residues pruned to eliminate duplicates Z: 26 28.526 2.096 0.627 0.815 0.880 0.640 CB 1.446 26 residues pruned to eliminate duplicates Z: 45 30.582 2.046 0.612 0.517 0.932 0.568 CB 1.475 45 residues pruned to eliminate duplicates Z: 9 7.293 1.912 0.254 0.763 0.750 0.750 CB 1.135 9 residues pruned to eliminate duplicates Z: 99 45.324 2.066 0.733 0.506 0.867 0.500 CB 1.465 99 residues pruned to eliminate duplicates Z: 6 3.636 1.980 0.285 0.372 0.800 0.600 CB 0.916 Z: 16 16.524 1.913 0.391 0.815 0.867 0.600 CB 1.407 16 residues pruned to eliminate duplicates Z: 16 16.422 1.835 0.912 0.516 0.867 0.667 CB 1.372 16 residues pruned to eliminate duplicates Z: 25 24.475 2.113 0.779 0.509 1.000 0.583 CB 1.318 24 residues pruned to eliminate duplicates Z: 11 18.847 2.160 0.882 0.481 0.900 0.600 CA 1.659 11 residues pruned to eliminate duplicates Z: 39 22.707 1.887 0.665 0.563 0.895 0.632 CB 1.233 39 residues pruned to eliminate duplicates Z: 11 12.733 1.931 0.637 0.549 0.900 0.600 CB 1.350 12 residues pruned to eliminate duplicates Z: 14 34.443 2.223 1.189 0.895 0.923 0.769 CB 1.525 14 residues pruned to eliminate duplicates Z: 24 17.473 1.925 0.950 0.345 0.826 0.435 CB 1.390 26 residues pruned to eliminate duplicates Z: 25 24.518 1.911 0.530 0.816 0.958 0.708 CB 1.357 25 residues pruned to eliminate duplicates Z: 20 27.873 2.012 0.962 0.828 0.895 0.684 CB 1.364 20 residues pruned to eliminate duplicates Z: 18 15.371 2.043 0.865 0.411 0.882 0.529 CB 1.217 18 residues pruned to eliminate duplicates Z: 9 12.252 1.888 0.365 0.781 0.875 0.375 CB 1.500 8 residues pruned to eliminate duplicates Z: 14 16.527 1.940 0.372 0.818 0.923 0.538 CA 1.416 14 residues pruned to eliminate duplicates Z: 15 36.425 2.151 1.183 0.905 0.929 0.857 CB 1.590 15 residues pruned to eliminate duplicates Z: 6 4.055 1.504 -0.100 0.683 1.000 0.600 CA 1.132 6 residues pruned to eliminate duplicates Z: 21 19.209 1.996 0.548 0.596 0.900 0.700 CA 1.410 21 residues pruned to eliminate duplicates Z: 8 11.681 2.082 0.317 0.887 0.857 0.857 CB 1.355 8 residues pruned to eliminate duplicates Z: 11 14.794 2.072 0.875 0.386 0.800 0.600 CA 1.698 11 residues pruned to eliminate duplicates Z: 43 34.889 2.155 0.807 0.526 0.857 0.643 CB 1.573 43 residues pruned to eliminate duplicates Z: 25 31.945 2.119 0.712 0.861 0.917 0.708 CB 1.441 25 residues pruned to eliminate duplicates Z: 20 22.002 1.905 0.697 0.757 0.947 0.474 CB 1.312 20 residues pruned to eliminate duplicates Z: 19 23.038 1.868 0.925 0.820 0.944 0.833 CB 1.211 19 residues pruned to eliminate duplicates Z: 16 22.107 1.875 0.603 0.832 1.000 0.667 CA 1.426 16 residues pruned to eliminate duplicates Z: 23 24.291 2.192 0.575 0.618 0.909 0.591 CB 1.475 23 residues pruned to eliminate duplicates Z: 36 22.892 2.014 0.669 0.436 0.914 0.657 CB 1.345 36 residues pruned to eliminate duplicates Z: 49 38.120 2.083 0.679 0.624 0.938 0.646 CB 1.492 55 residues pruned to eliminate duplicates Z: 34 17.966 1.911 0.503 0.550 0.848 0.576 CB 1.222 34 residues pruned to eliminate duplicates Z: 52 39.445 2.138 0.865 0.544 0.882 0.647 CB 1.503 52 residues pruned to eliminate duplicates Z: 9 7.041 1.843 0.377 0.494 0.750 0.750 CB 1.316 9 residues pruned to eliminate duplicates Z: 41 34.028 2.084 0.891 0.577 0.875 0.625 CB 1.449 41 residues pruned to eliminate duplicates Z: 6 5.077 1.713 0.421 0.769 0.600 0.400 CA 1.225 6 residues pruned to eliminate duplicates Z: 19 20.031 1.920 0.600 0.785 0.889 0.722 CA 1.346 19 residues pruned to eliminate duplicates Z: 91 45.341 2.019 0.707 0.566 0.956 0.589 CB 1.361 91 residues pruned to eliminate duplicates Z: 17 21.567 1.873 0.582 0.827 1.000 0.688 CA 1.372 17 residues pruned to eliminate duplicates Z: 10 14.352 1.859 0.643 0.644 1.000 0.778 CA 1.368 10 residues pruned to eliminate duplicates Z: 23 19.062 2.059 0.714 0.440 0.864 0.545 CB 1.418 23 residues pruned to eliminate duplicates Z: 88 47.323 2.103 0.605 0.603 0.954 0.667 CB 1.429 88 residues pruned to eliminate duplicates Z: 6 4.811 1.724 0.295 0.454 0.800 0.600 CB 1.262 6 residues pruned to eliminate duplicates Z: 44 42.045 2.253 0.883 0.506 0.907 0.488 CB 1.656 44 residues pruned to eliminate duplicates Z: 23 18.383 2.127 0.650 0.351 0.864 0.500 CB 1.520 23 residues pruned to eliminate duplicates Z: 45 47.413 2.254 0.933 0.552 0.932 0.591 CB 1.673 45 residues pruned to eliminate duplicates Z: 12 9.921 1.848 0.692 0.469 0.818 0.636 CB 1.207 12 residues pruned to eliminate duplicates Z: 18 19.797 2.109 0.674 0.625 0.824 0.588 CB 1.468 18 residues pruned to eliminate duplicates Z: 9 11.008 1.910 0.491 0.787 0.875 0.750 CB 1.214 9 residues pruned to eliminate duplicates Z: 45 41.309 2.167 0.943 0.617 0.909 0.659 CB 1.456 45 residues pruned to eliminate duplicates Z: 19 15.862 1.992 0.543 0.427 0.833 0.444 CB 1.574 19 residues pruned to eliminate duplicates Z: 7 8.277 1.785 0.465 0.568 0.833 0.333 C 1.452 7 residues pruned to eliminate duplicates Z: 9 14.031 2.241 0.459 0.514 1.000 0.625 CA 1.496 9 residues pruned to eliminate duplicates Z: 27 30.529 2.249 0.900 0.536 0.846 0.462 CB 1.597 27 residues pruned to eliminate duplicates Z: 53 43.241 2.085 0.828 0.620 0.942 0.635 CB 1.491 53 residues pruned to eliminate duplicates Z: 7 2.832 1.425 0.031 0.663 0.833 0.667 CB 0.812 7 residues pruned to eliminate duplicates Z: 7 3.043 1.620 0.654 0.366 0.500 0.500 CB 1.070 7 residues pruned to eliminate duplicates Z: 15 24.083 1.961 0.765 0.810 1.000 0.857 CA 1.419 15 residues pruned to eliminate duplicates Z: 164 66.290 2.154 0.699 0.546 0.908 0.589 CB 1.493 164 residues pruned to eliminate duplicates Z: 33 17.694 1.871 0.886 0.411 0.812 0.594 CB 1.197 33 residues pruned to eliminate duplicates Z: 9 7.853 1.872 0.182 0.807 0.875 0.625 CB 1.098 9 residues pruned to eliminate duplicates Z: 77 40.700 2.117 0.717 0.489 0.882 0.566 CB 1.473 77 residues pruned to eliminate duplicates Z: 6 6.605 1.466 0.392 0.689 1.000 0.600 O 1.217 6 residues pruned to eliminate duplicates Z: 14 15.927 1.900 0.287 0.860 1.000 0.769 CB 1.329 14 residues pruned to eliminate duplicates Z: 11 14.897 1.990 0.489 0.791 0.800 0.300 CB 1.539 11 residues pruned to eliminate duplicates Z: 55 27.143 1.993 0.621 0.503 0.870 0.537 CB 1.309 55 residues pruned to eliminate duplicates Z: 70 43.291 2.180 0.643 0.525 0.899 0.551 CB 1.579 70 residues pruned to eliminate duplicates Z: 35 24.442 1.964 0.659 0.557 0.853 0.588 CB 1.426 35 residues pruned to eliminate duplicates Z: 22 24.095 2.062 0.856 0.413 0.952 0.476 CA 1.580 16 residues pruned to eliminate duplicates Z: 28 30.631 2.045 0.738 0.713 0.926 0.593 CA 1.477 28 residues pruned to eliminate duplicates Z: 17 12.603 2.040 0.977 0.361 0.875 0.500 CB 1.037 17 residues pruned to eliminate duplicates Z: 23 18.205 2.053 0.779 0.445 0.773 0.545 CB 1.454 23 residues pruned to eliminate duplicates Z: 24 33.997 2.175 0.737 0.854 0.957 0.783 CB 1.449 24 residues pruned to eliminate duplicates Z: 14 17.061 2.128 0.893 0.424 0.923 0.385 CB 1.378 14 residues pruned to eliminate duplicates Z: 16 5.553 1.615 0.481 0.274 0.933 0.533 CB 0.830 16 residues pruned to eliminate duplicates Z: 9 8.906 1.853 0.415 0.826 0.875 0.750 CB 1.035 9 residues pruned to eliminate duplicates Z: 12 17.001 2.079 0.863 0.630 0.909 0.636 CB 1.289 12 residues pruned to eliminate duplicates Z: 30 21.797 2.141 0.595 0.499 0.828 0.586 CB 1.433 30 residues pruned to eliminate duplicates Z: 7 7.998 1.953 0.486 0.531 0.833 0.667 CB 1.310 6 residues pruned to eliminate duplicates Z: 65 41.080 2.116 0.720 0.527 0.891 0.656 CB 1.543 65 residues pruned to eliminate duplicates Z: 61 41.746 2.188 0.661 0.560 0.933 0.633 CB 1.498 61 residues pruned to eliminate duplicates Z: 7 10.240 2.095 0.212 0.549 1.000 0.500 CB 1.570 7 residues pruned to eliminate duplicates Z: 13 9.468 1.873 0.441 0.453 0.917 0.583 CB 1.159 12 residues pruned to eliminate duplicates Z: 8 2.659 1.501 0.412 0.337 0.714 0.571 CB 0.793 8 residues pruned to eliminate duplicates Z: 71 49.175 2.143 0.855 0.556 0.929 0.657 CB 1.508 108 residues pruned to eliminate duplicates Z: 10 12.411 1.932 0.534 0.801 0.778 0.333 CB 1.379 10 residues pruned to eliminate duplicates Z: 44 37.476 2.071 0.576 0.720 0.953 0.674 CB 1.505 44 residues pruned to eliminate duplicates Z: 59 36.319 2.181 0.568 0.541 0.879 0.621 CB 1.523 59 residues pruned to eliminate duplicates Z: 29 21.575 2.000 0.747 0.415 0.893 0.429 CB 1.428 30 residues pruned to eliminate duplicates Z: 52 37.288 2.135 0.738 0.537 0.902 0.667 CB 1.504 52 residues pruned to eliminate duplicates Z: 23 20.311 2.104 0.666 0.420 0.955 0.545 CB 1.407 Z: 8 9.295 1.828 0.553 0.428 1.000 0.714 CB 1.334 8 residues pruned to eliminate duplicates Z: 26 19.113 1.986 0.576 0.417 1.000 0.600 CB 1.332 25 residues pruned to eliminate duplicates Z: 14 11.680 1.977 0.688 0.465 0.846 0.538 CB 1.189 14 residues pruned to eliminate duplicates Z: 8 10.615 1.916 0.356 0.617 0.857 0.429 CB 1.613 7 residues pruned to eliminate duplicates Z: 12 25.151 2.140 0.548 0.908 1.000 0.909 CB 1.626 12 residues pruned to eliminate duplicates Z: 7 4.622 1.909 0.768 0.474 0.833 0.500 CB 0.689 7 residues pruned to eliminate duplicates Z: 28 11.327 1.848 0.504 0.302 0.741 0.444 CB 1.321 24 residues pruned to eliminate duplicates Z: 14 14.048 2.103 0.321 0.427 1.000 0.615 CB 1.513 14 residues pruned to eliminate duplicates Z: 46 41.960 2.228 0.819 0.527 0.911 0.622 CB 1.649 46 residues pruned to eliminate duplicates Z: 6 3.247 1.501 0.218 0.399 0.800 0.400 N 1.104 Z: 11 12.994 1.880 0.841 0.532 0.900 0.800 CB 1.279 Z: 10 18.879 2.064 1.028 0.627 0.889 0.556 CA 1.501 10 residues pruned to eliminate duplicates Z: 9 9.622 1.862 0.535 0.766 0.875 0.750 CB 1.074 9 residues pruned to eliminate duplicates Z: 25 30.908 2.137 0.536 0.861 1.000 0.792 CB 1.412 25 residues pruned to eliminate duplicates Z: 10 3.852 2.071 -0.001 0.421 0.667 0.556 CB 1.011 Z: 12 12.125 1.733 0.467 0.811 0.909 0.455 CB 1.206 12 residues pruned to eliminate duplicates Z: 22 15.588 1.800 0.463 0.780 0.905 0.762 CB 1.115 22 residues pruned to eliminate duplicates Z: 20 23.588 1.933 0.577 0.842 1.000 0.895 CB 1.322 20 residues pruned to eliminate duplicates Z: 6 5.697 1.481 1.259 0.531 0.800 0.600 C 0.923 Z: 25 21.582 2.121 0.628 0.456 0.958 0.667 CB 1.393 23 residues pruned to eliminate duplicates Z: 12 8.356 2.091 0.392 0.295 0.818 0.455 CB 1.330 10 residues pruned to eliminate duplicates Z: 12 17.640 2.107 0.214 0.906 1.000 1.000 CB 1.478 12 residues pruned to eliminate duplicates Z: 20 24.304 2.008 0.569 0.804 1.000 0.684 CA 1.358 20 residues pruned to eliminate duplicates Z: 34 22.613 1.993 0.732 0.458 0.879 0.545 CB 1.354 35 residues pruned to eliminate duplicates Z: 10 15.901 1.872 0.456 0.913 1.000 0.889 CA 1.377 10 residues pruned to eliminate duplicates Z: 13 11.649 1.893 0.766 0.390 0.917 0.333 CB 1.233 13 residues pruned to eliminate duplicates Z: 13 9.785 1.962 0.553 0.524 0.833 0.750 CB 1.087 13 residues pruned to eliminate duplicates Z: 17 25.529 1.889 0.998 0.817 1.000 0.750 CB 1.284 17 residues pruned to eliminate duplicates Z: 20 17.135 1.846 1.031 0.522 0.737 0.632 CA 1.392 20 residues pruned to eliminate duplicates Z: 12 8.158 1.899 0.885 0.412 0.636 0.455 CB 1.184 12 residues pruned to eliminate duplicates Z: 98 45.287 2.073 0.679 0.554 0.887 0.588 CB 1.414 110 residues pruned to eliminate duplicates Z: 14 8.477 2.054 0.522 0.333 0.769 0.615 CB 1.174 20 residues pruned to eliminate duplicates Z: 8 7.226 1.753 0.816 0.601 0.714 0.714 CB 1.091 8 residues pruned to eliminate duplicates Z: 87 46.319 2.090 0.663 0.575 0.930 0.663 CB 1.437 87 residues pruned to eliminate duplicates Z: 8 7.042 1.610 0.160 0.611 1.000 0.571 N 1.282 8 residues pruned to eliminate duplicates Z: 58 38.172 2.005 0.667 0.613 0.930 0.632 CA 1.461 58 residues pruned to eliminate duplicates Z: 13 4.102 1.630 0.791 0.203 0.583 0.333 CB 0.989 13 residues pruned to eliminate duplicates Z: 11 8.434 2.089 0.746 0.320 0.700 0.200 CB 1.274 11 residues pruned to eliminate duplicates Z: 7 9.878 1.801 0.501 0.543 1.000 0.667 CB 1.429 7 residues pruned to eliminate duplicates Z: 35 33.640 2.124 0.832 0.640 0.882 0.500 CB 1.475 35 residues pruned to eliminate duplicates 7 1.843 1.407 0.183 0.386 0.500 0.500 CB 1.020 ? Z: 15 17.625 1.980 0.564 0.811 0.857 0.357 CB 1.353 15 residues pruned to eliminate duplicates Z: 9 8.133 2.043 0.262 0.301 0.875 0.500 CB 1.592 9 residues pruned to eliminate duplicates Z: 16 20.561 1.904 0.514 0.838 0.933 0.600 CB 1.475 16 residues pruned to eliminate duplicates Z: 14 39.265 2.170 1.381 0.699 1.000 0.846 CA 1.757 14 residues pruned to eliminate duplicates Z: 37 26.668 2.006 0.715 0.489 0.972 0.667 CB 1.344 37 residues pruned to eliminate duplicates Z: 6 10.384 1.866 0.504 0.658 1.000 1.000 CA 1.430 6 residues pruned to eliminate duplicates Z: 143 57.483 2.108 0.704 0.547 0.894 0.577 CB 1.435 128 residues pruned to eliminate duplicates Z: 11 13.287 1.898 0.411 0.848 0.900 0.800 CB 1.292 11 residues pruned to eliminate duplicates Z: 22 19.106 2.147 0.509 0.427 0.952 0.571 CA 1.457 22 residues pruned to eliminate duplicates Z: 21 20.776 1.852 0.615 0.786 1.000 0.450 CB 1.208 21 residues pruned to eliminate duplicates Z: 11 20.918 2.205 0.544 0.755 1.000 0.700 CB 1.549 11 residues pruned to eliminate duplicates Z: 10 7.201 1.924 0.503 0.368 0.778 0.556 CB 1.230 Z: 31 24.319 2.070 0.595 0.493 0.967 0.567 CB 1.400 31 residues pruned to eliminate duplicates Z: 6 5.172 1.822 0.134 0.794 0.800 0.600 CB 1.081 6 residues pruned to eliminate duplicates Z: 15 21.609 1.939 0.561 0.835 1.000 0.786 CA 1.429 15 residues pruned to eliminate duplicates Z: 20 13.842 1.869 0.822 0.418 0.842 0.421 CB 1.205 20 residues pruned to eliminate duplicates Z: 6 13.085 2.044 0.891 0.630 1.000 0.400 CA 1.339 6 residues pruned to eliminate duplicates Z: 35 28.775 1.972 0.635 0.655 0.941 0.706 CB 1.408 35 residues pruned to eliminate duplicates Z: 13 24.176 1.981 0.740 0.862 1.000 0.833 CA 1.487 13 residues pruned to eliminate duplicates Z: 10 7.108 1.797 0.764 0.553 0.778 0.556 CB 0.913 10 residues pruned to eliminate duplicates Z: 37 23.840 2.047 0.670 0.454 0.944 0.611 CB 1.290 36 residues pruned to eliminate duplicates Z: 6 5.976 1.516 0.108 0.799 1.000 0.800 CA 1.225 Z: 17 22.832 2.176 0.733 0.687 0.938 0.750 CA 1.360 17 residues pruned to eliminate duplicates Z: 36 24.135 1.975 0.554 0.571 0.943 0.657 CB 1.316 36 residues pruned to eliminate duplicates Z: 14 38.631 2.145 1.392 0.886 0.923 0.692 CB 1.632 14 residues pruned to eliminate duplicates Z: 33 25.792 1.958 0.647 0.639 0.969 0.719 CB 1.282 33 residues pruned to eliminate duplicates Z: 10 11.565 1.772 0.874 0.507 0.889 0.667 CB 1.296 10 residues pruned to eliminate duplicates Z: 44 42.288 2.197 0.792 0.631 0.907 0.651 CB 1.598 54 residues pruned to eliminate duplicates Z: 17 20.498 1.839 0.586 0.854 1.000 0.625 CA 1.298 17 residues pruned to eliminate duplicates Z: 18 17.467 1.981 0.246 0.639 1.000 0.647 CB 1.506 18 residues pruned to eliminate duplicates Z: 19 20.354 1.916 0.562 0.786 1.000 0.722 CA 1.247 19 residues pruned to eliminate duplicates Z: 7 8.793 1.600 0.408 0.844 1.000 0.833 CA 1.185 7 residues pruned to eliminate duplicates Z: 7 2.414 1.487 0.188 0.364 0.667 0.500 CB 0.969 7 residues pruned to eliminate duplicates Z: 53 45.539 2.114 0.831 0.632 0.962 0.615 CB 1.499 53 residues pruned to eliminate duplicates Z: 25 34.767 2.198 0.863 0.647 0.917 0.708 CB 1.648 25 residues pruned to eliminate duplicates Z: 22 21.283 2.173 0.538 0.426 0.952 0.524 CA 1.576 22 residues pruned to eliminate duplicates Z: 38 32.685 2.127 0.736 0.527 0.892 0.595 CB 1.589 38 residues pruned to eliminate duplicates Z: 8 5.311 1.778 0.180 0.707 0.857 0.571 CA 0.925 8 residues pruned to eliminate duplicates Z: 29 25.065 2.165 0.648 0.582 0.893 0.714 CB 1.375 29 residues pruned to eliminate duplicates Z: 6 2.251 1.546 0.670 0.299 0.800 0.600 CB 0.610 6 residues pruned to eliminate duplicates Z: 8 4.285 1.614 0.294 0.507 0.714 0.571 CA 1.078 Z: 16 6.547 1.832 0.348 0.355 0.733 0.533 CB 1.092 16 residues pruned to eliminate duplicates Z: 14 12.688 1.850 0.716 0.441 0.846 0.462 CA 1.392 14 residues pruned to eliminate duplicates Z: 60 42.686 2.153 0.734 0.578 0.915 0.627 CB 1.508 60 residues pruned to eliminate duplicates Z: 31 20.032 1.961 0.707 0.482 0.867 0.733 CB 1.284 31 residues pruned to eliminate duplicates Z: 12 24.766 2.213 0.460 0.927 1.000 0.909 CA 1.620 Z: 21 20.411 1.860 0.573 0.777 1.000 0.550 CB 1.222 21 residues pruned to eliminate duplicates Z: 6 2.100 1.467 -0.181 0.579 0.800 0.600 CB 0.906 6 residues pruned to eliminate duplicates Z: 6 4.943 1.535 0.384 0.335 1.000 0.400 CB 1.245 6 residues pruned to eliminate duplicates Z: 6 3.028 1.390 0.317 0.503 0.800 0.400 CB 0.922 6 residues pruned to eliminate duplicates Z: 20 25.359 1.938 0.848 0.819 0.895 0.684 CB 1.377 20 residues pruned to eliminate duplicates Z: 7 8.216 1.838 0.327 0.701 1.000 0.833 CB 1.145 Z: 6 2.936 1.463 0.478 0.310 0.800 0.600 CA 0.936 Z: 81 43.766 2.136 0.727 0.534 0.875 0.663 CB 1.466 123 residues pruned to eliminate duplicates Z: 22 23.660 2.112 0.888 0.457 0.905 0.429 CB 1.496 22 residues pruned to eliminate duplicates Z: 152 63.909 2.136 0.722 0.574 0.887 0.596 CB 1.483 152 residues pruned to eliminate duplicates Z: 9 4.102 1.598 0.203 0.346 0.875 0.375 CB 1.019 6 residues pruned to eliminate duplicates Z: 29 27.518 2.145 0.863 0.545 0.857 0.464 CB 1.453 29 residues pruned to eliminate duplicates Z: 28 15.358 1.807 0.625 0.495 0.926 0.667 CB 1.092 28 residues pruned to eliminate duplicates Z: 15 21.868 2.133 1.036 0.430 0.929 0.500 CA 1.557 15 residues pruned to eliminate duplicates Z: 41 44.970 2.227 0.890 0.686 0.900 0.725 CB 1.584 41 residues pruned to eliminate duplicates Z: 8 8.349 1.756 0.323 0.569 1.000 0.571 CA 1.270 8 residues pruned to eliminate duplicates Z: 11 22.756 2.006 0.949 0.871 0.900 0.700 CB 1.492 11 residues pruned to eliminate duplicates Z: 19 6.742 1.839 0.290 0.288 0.722 0.444 CB 1.177 19 residues pruned to eliminate duplicates Z: 6 6.756 1.826 0.713 0.379 0.800 0.400 CA 1.374 7 residues pruned to eliminate duplicates Z: 13 8.645 1.683 0.396 0.476 0.917 0.500 CB 1.187 12 residues pruned to eliminate duplicates Z: 28 22.584 2.104 0.687 0.554 0.852 0.556 CB 1.364 28 residues pruned to eliminate duplicates Z: 14 12.518 1.936 0.320 0.806 0.846 0.385 CB 1.230 14 residues pruned to eliminate duplicates 6 1.890 1.202 0.320 0.434 0.800 0.800 CB 0.713 ? Z: 10 4.435 1.547 0.307 0.375 1.000 0.667 CB 0.836 10 residues pruned to eliminate duplicates Z: 8 9.229 1.914 0.375 0.849 0.857 0.714 CB 1.146 8 residues pruned to eliminate duplicates Z: 12 14.349 1.846 1.123 0.530 0.909 0.455 CB 1.180 12 residues pruned to eliminate duplicates Z: 9 3.933 1.441 0.100 0.526 0.750 0.500 CB 1.140 Z: 20 19.797 2.103 0.778 0.380 0.895 0.526 CB 1.543 20 residues pruned to eliminate duplicates Z: 15 11.539 1.666 0.724 0.560 0.929 0.643 CA 1.091 15 residues pruned to eliminate duplicates Z: 6 4.165 1.406 0.222 0.605 1.000 0.800 N 0.981 Z: 8 10.585 2.035 0.367 0.674 1.000 0.714 CB 1.225 8 residues pruned to eliminate duplicates Z: 6 3.407 1.409 -0.069 0.804 1.000 0.600 CB 0.891 Z: 14 13.821 2.059 0.621 0.474 0.846 0.615 CB 1.394 14 residues pruned to eliminate duplicates Z: 16 7.363 1.882 0.597 0.402 0.733 0.400 CB 0.956 15 residues pruned to eliminate duplicates Z: 7 4.050 1.518 0.337 0.401 0.833 0.500 CB 1.085 Z: 42 42.368 2.196 0.881 0.655 0.902 0.732 CB 1.537 42 residues pruned to eliminate duplicates Z: 7 7.301 1.888 0.561 0.526 0.833 0.500 CB 1.183 7 residues pruned to eliminate duplicates Z: 40 31.917 2.030 0.622 0.608 0.949 0.590 CB 1.477 40 residues pruned to eliminate duplicates Z: 18 20.451 1.910 0.909 0.635 0.882 0.824 CB 1.358 18 residues pruned to eliminate duplicates Z: 22 18.554 2.025 0.665 0.594 0.857 0.619 CB 1.280 22 residues pruned to eliminate duplicates Z: 30 22.224 2.085 0.466 0.434 0.966 0.552 CA 1.498 30 residues pruned to eliminate duplicates Z: 23 19.463 2.055 0.635 0.424 0.955 0.636 CB 1.401 23 residues pruned to eliminate duplicates Z: 6 7.534 1.851 0.612 0.509 0.800 0.600 CA 1.399 6 residues pruned to eliminate duplicates Z: 18 21.506 2.070 0.688 0.660 0.941 0.588 CB 1.368 18 residues pruned to eliminate duplicates Z: 14 8.131 1.873 0.668 0.470 0.692 0.462 CA 1.075 14 residues pruned to eliminate duplicates Z: 7 2.507 1.458 0.562 0.246 0.667 0.500 N 0.903 Z: 27 14.169 1.868 0.582 0.476 0.885 0.577 CB 1.090 27 residues pruned to eliminate duplicates Z: 6 4.592 1.710 0.821 0.657 0.600 0.400 CA 0.950 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 15.975 1.911 0.701 0.778 1.000 0.500 CB 1.215 11 residues pruned to eliminate duplicates Z: 14 13.445 1.887 0.535 0.558 0.923 0.462 CB 1.319 14 residues pruned to eliminate duplicates Z: 12 11.408 1.663 0.692 0.681 0.818 0.364 CB 1.265 12 residues pruned to eliminate duplicates Z: 17 14.441 1.902 0.711 0.516 0.812 0.438 CB 1.343 17 residues pruned to eliminate duplicates Z: 31 23.390 2.117 0.549 0.555 0.867 0.500 CB 1.424 31 residues pruned to eliminate duplicates Z: 13 15.926 2.032 0.571 0.603 0.917 0.417 CB 1.424 13 residues pruned to eliminate duplicates Z: 13 17.222 2.056 0.678 0.602 0.917 0.583 CB 1.426 13 residues pruned to eliminate duplicates Z: 14 15.175 2.038 0.565 0.578 0.923 0.462 CB 1.327 14 residues pruned to eliminate duplicates Z: 15 11.753 1.872 0.607 0.532 0.857 0.429 CB 1.180 21 residues pruned to eliminate duplicates Z: 13 15.294 2.049 0.500 0.599 0.917 0.500 CB 1.426 14 residues pruned to eliminate duplicates Z: 6 4.497 1.835 0.618 0.192 0.800 0.400 CA 1.224 6 residues pruned to eliminate duplicates Z: 8 5.094 1.981 0.171 0.238 0.714 0.286 CB 1.575 8 residues pruned to eliminate duplicates Z: 14 13.134 2.215 0.330 0.333 0.923 0.538 CB 1.608 14 residues pruned to eliminate duplicates Z: 16 18.209 2.134 0.619 0.448 0.933 0.600 CB 1.539 16 residues pruned to eliminate duplicates Z: 33 33.402 2.155 0.821 0.548 0.875 0.594 CB 1.641 33 residues pruned to eliminate duplicates Z: 16 13.824 2.101 0.562 0.346 0.867 0.533 CB 1.484 16 residues pruned to eliminate duplicates Z: 20 24.464 2.283 0.583 0.500 0.947 0.737 CB 1.640 20 residues pruned to eliminate duplicates Z: 15 9.713 2.168 0.242 0.319 0.786 0.643 CB 1.499 15 residues pruned to eliminate duplicates Z: 62 35.846 2.123 0.495 0.566 0.951 0.574 CB 1.426 62 residues pruned to eliminate duplicates Z: 10 5.089 2.105 0.111 0.213 0.667 0.444 CB 1.525 10 residues pruned to eliminate duplicates Z: 10 7.934 2.072 0.573 0.207 0.778 0.556 CA 1.475 10 residues pruned to eliminate duplicates Z: 24 22.403 2.292 0.439 0.492 0.870 0.652 CB 1.642 24 residues pruned to eliminate duplicates Z: 56 32.223 2.115 0.565 0.563 0.891 0.600 CB 1.386 56 residues pruned to eliminate duplicates Z: 18 18.693 2.208 0.631 0.450 0.824 0.706 CB 1.610 18 residues pruned to eliminate duplicates Z: 11 15.625 2.217 0.681 0.626 0.800 0.700 CB 1.471 11 residues pruned to eliminate duplicates Z: 105 48.718 2.133 0.675 0.564 0.904 0.519 CB 1.391 105 residues pruned to eliminate duplicates Z: 13 14.207 2.163 0.605 0.609 0.833 0.750 CB 1.278 13 residues pruned to eliminate duplicates Z: 20 24.257 2.257 0.609 0.511 0.895 0.684 CB 1.693 20 residues pruned to eliminate duplicates Z: 15 24.175 2.120 0.731 0.734 1.000 0.571 CB 1.426 15 residues pruned to eliminate duplicates Z: 63 33.593 2.106 0.519 0.550 0.903 0.597 CB 1.407 63 residues pruned to eliminate duplicates Z: 17 20.440 2.096 0.563 0.640 0.938 0.750 CB 1.459 17 residues pruned to eliminate duplicates Z: 60 43.203 2.170 0.725 0.565 0.915 0.678 CB 1.542 60 residues pruned to eliminate duplicates Z: 38 32.979 2.168 0.740 0.544 0.865 0.730 CB 1.592 38 residues pruned to eliminate duplicates Z: 45 42.149 2.173 0.977 0.613 0.886 0.682 CB 1.500 45 residues pruned to eliminate duplicates Z: 29 38.002 2.168 1.019 0.690 0.893 0.714 CB 1.544 29 residues pruned to eliminate duplicates Z: 52 37.317 2.114 0.857 0.533 0.843 0.510 CB 1.529 52 residues pruned to eliminate duplicates Z: 20 19.747 2.012 0.920 0.550 0.737 0.684 C 1.515 20 residues pruned to eliminate duplicates Z: 31 34.114 2.155 0.911 0.639 0.867 0.733 CB 1.532 31 residues pruned to eliminate duplicates Z: 76 44.752 2.146 0.706 0.498 0.893 0.627 CB 1.582 76 residues pruned to eliminate duplicates Z: 30 35.004 2.082 0.948 0.659 0.897 0.655 CB 1.543 30 residues pruned to eliminate duplicates Z: 30 37.902 2.133 1.062 0.662 0.931 0.690 CB 1.479 30 residues pruned to eliminate duplicates Z: 32 37.087 2.153 0.870 0.625 0.935 0.645 CB 1.572 32 residues pruned to eliminate duplicates Z: 35 32.521 2.067 0.790 0.587 0.882 0.647 CB 1.571 35 residues pruned to eliminate duplicates Z: 46 34.115 2.144 0.769 0.512 0.844 0.600 CB 1.569 46 residues pruned to eliminate duplicates Z: 132 60.407 2.142 0.781 0.596 0.870 0.618 CB 1.451 132 residues pruned to eliminate duplicates Z: 43 39.774 2.200 0.859 0.558 0.881 0.667 CB 1.610 43 residues pruned to eliminate duplicates Z: 32 28.709 2.104 0.829 0.590 0.839 0.677 CB 1.466 32 residues pruned to eliminate duplicates Z: 44 32.693 2.159 0.869 0.528 0.814 0.674 CB 1.477 44 residues pruned to eliminate duplicates Z: 59 43.704 2.161 0.816 0.573 0.879 0.603 CB 1.551 59 residues pruned to eliminate duplicates Z: 48 37.113 2.126 0.802 0.542 0.915 0.617 CB 1.481 48 residues pruned to eliminate duplicates Z: 67 47.181 2.177 0.792 0.535 0.909 0.636 CB 1.582 67 residues pruned to eliminate duplicates Z: 45 40.794 2.184 0.888 0.619 0.886 0.727 CB 1.504 45 residues pruned to eliminate duplicates Z: 14 25.726 2.207 0.621 0.698 1.000 0.846 CA 1.665 14 residues pruned to eliminate duplicates Z: 86 51.332 2.154 0.757 0.557 0.941 0.682 CB 1.479 83 residues pruned to eliminate duplicates Z: 12 16.012 2.120 0.459 0.722 0.909 0.545 CA 1.404 12 residues pruned to eliminate duplicates Z: 62 40.583 2.144 0.858 0.530 0.885 0.656 CB 1.431 62 residues pruned to eliminate duplicates Z: 72 45.917 2.171 0.789 0.532 0.887 0.676 CB 1.532 72 residues pruned to eliminate duplicates Z: 49 34.854 2.123 0.713 0.539 0.917 0.604 CB 1.453 49 residues pruned to eliminate duplicates Z: 68 39.818 2.156 0.629 0.527 0.881 0.627 CB 1.532 68 residues pruned to eliminate duplicates Z: 51 44.375 2.176 0.916 0.587 0.900 0.640 CB 1.538 51 residues pruned to eliminate duplicates Z: 59 46.283 2.200 0.851 0.569 0.914 0.655 CB 1.528 59 residues pruned to eliminate duplicates Z: 51 38.788 2.123 0.762 0.531 0.920 0.760 CB 1.546 51 residues pruned to eliminate duplicates Z: 75 42.617 2.152 0.707 0.523 0.878 0.649 CB 1.501 75 residues pruned to eliminate duplicates Z: 50 39.726 2.159 0.834 0.536 0.918 0.673 CB 1.506 50 residues pruned to eliminate duplicates Z: 33 22.348 2.027 0.575 0.467 0.906 0.688 CB 1.412 33 residues pruned to eliminate duplicates Z: 61 41.766 2.140 0.726 0.570 0.900 0.600 CB 1.517 61 residues pruned to eliminate duplicates Z: 43 37.002 2.141 0.899 0.552 0.881 0.595 CB 1.516 43 residues pruned to eliminate duplicates Z: 60 44.766 2.195 0.811 0.563 0.915 0.661 CB 1.508 60 residues pruned to eliminate duplicates Z: 60 45.326 2.188 0.842 0.576 0.881 0.678 CB 1.544 60 residues pruned to eliminate duplicates Z: 67 39.560 2.145 0.659 0.509 0.894 0.606 CB 1.517 67 residues pruned to eliminate duplicates Z: 59 45.596 2.176 0.856 0.584 0.914 0.621 CB 1.497 59 residues pruned to eliminate duplicates Z: 19 10.703 2.006 0.181 0.372 0.833 0.556 CB 1.465 19 residues pruned to eliminate duplicates Z: 32 21.975 2.090 0.429 0.448 0.935 0.484 CB 1.491 32 residues pruned to eliminate duplicates Z: 31 25.087 2.072 0.567 0.486 0.933 0.567 CB 1.533 31 residues pruned to eliminate duplicates Z: 40 28.565 2.052 0.745 0.500 0.846 0.615 CB 1.509 40 residues pruned to eliminate duplicates Z: 55 34.045 2.122 0.754 0.504 0.833 0.611 CB 1.488 55 residues pruned to eliminate duplicates Z: 60 46.529 2.164 0.892 0.569 0.915 0.627 CB 1.512 60 residues pruned to eliminate duplicates Z: 45 25.104 2.074 0.574 0.441 0.864 0.545 CB 1.427 45 residues pruned to eliminate duplicates Z: 8 14.782 1.949 1.027 0.524 1.000 0.429 CB 1.381 8 residues pruned to eliminate duplicates Z: 76 43.845 2.105 0.776 0.521 0.920 0.600 CB 1.442 76 residues pruned to eliminate duplicates Z: 12 4.203 2.068 0.027 0.257 0.727 0.455 CB 1.084 12 residues pruned to eliminate duplicates Z: 11 5.010 1.787 0.500 0.366 0.800 0.500 CB 0.854 11 residues pruned to eliminate duplicates Z: 48 34.545 2.112 0.816 0.532 0.915 0.553 CB 1.391 48 residues pruned to eliminate duplicates Z: 13 7.869 1.966 0.537 0.280 0.833 0.583 CB 1.157 13 residues pruned to eliminate duplicates Z: 69 39.488 2.136 0.680 0.541 0.897 0.603 CB 1.429 69 residues pruned to eliminate duplicates Z: 91 50.928 2.127 0.703 0.595 0.922 0.633 CB 1.468 91 residues pruned to eliminate duplicates Z: 56 40.282 2.143 0.794 0.572 0.891 0.582 CB 1.479 56 residues pruned to eliminate duplicates Z: 76 50.533 2.130 0.781 0.654 0.907 0.600 CB 1.470 76 residues pruned to eliminate duplicates Z: 65 38.532 2.065 0.689 0.559 0.906 0.656 CB 1.439 65 residues pruned to eliminate duplicates Z: 77 45.492 2.076 0.717 0.624 0.882 0.658 CB 1.478 77 residues pruned to eliminate duplicates Z: 39 35.314 2.116 0.791 0.613 0.921 0.605 CB 1.475 39 residues pruned to eliminate duplicates Z: 42 33.522 2.104 0.702 0.610 0.878 0.488 CB 1.501 42 residues pruned to eliminate duplicates Z: 116 49.458 2.108 0.611 0.567 0.896 0.548 CB 1.421 116 residues pruned to eliminate duplicates Z: 107 50.914 2.102 0.593 0.608 0.906 0.632 CB 1.471 107 residues pruned to eliminate duplicates Z: 107 44.066 2.079 0.613 0.541 0.877 0.566 CB 1.398 107 residues pruned to eliminate duplicates Z: 56 40.686 2.086 0.749 0.606 0.909 0.618 CB 1.495 56 residues pruned to eliminate duplicates Z: 54 34.780 2.064 0.682 0.557 0.887 0.604 CB 1.469 54 residues pruned to eliminate duplicates Z: 37 34.214 2.133 0.784 0.630 0.889 0.556 CA 1.492 37 residues pruned to eliminate duplicates Z: 35 36.811 2.145 0.928 0.615 0.882 0.588 CB 1.552 35 residues pruned to eliminate duplicates Z: 54 39.223 2.086 0.671 0.606 0.943 0.585 CB 1.481 54 residues pruned to eliminate duplicates Z: 91 50.473 2.088 0.720 0.593 0.933 0.600 CB 1.452 91 residues pruned to eliminate duplicates Z: 47 33.765 2.100 0.644 0.557 0.957 0.587 CB 1.426 47 residues pruned to eliminate duplicates Z: 54 43.652 2.121 0.669 0.642 0.925 0.623 CB 1.604 54 residues pruned to eliminate duplicates Z: 61 37.973 2.102 0.624 0.575 0.900 0.600 CB 1.484 61 residues pruned to eliminate duplicates Z: 54 36.989 2.060 0.652 0.608 0.925 0.547 CB 1.458 54 residues pruned to eliminate duplicates Z: 39 32.227 2.122 0.636 0.609 0.895 0.526 CA 1.518 39 residues pruned to eliminate duplicates Z: 87 46.207 2.066 0.740 0.550 0.895 0.593 CB 1.475 87 residues pruned to eliminate duplicates Z: 31 33.214 2.094 0.815 0.629 0.967 0.733 CA 1.461 31 residues pruned to eliminate duplicates Z: 55 37.457 2.025 0.741 0.579 0.889 0.556 CB 1.508 55 residues pruned to eliminate duplicates Z: 163 66.482 2.172 0.685 0.551 0.901 0.568 CB 1.508 163 residues pruned to eliminate duplicates Z: 56 38.729 2.084 0.664 0.577 0.927 0.545 CB 1.509 56 residues pruned to eliminate duplicates Z: 93 44.693 2.055 0.664 0.576 0.902 0.598 CB 1.404 93 residues pruned to eliminate duplicates Z: 89 42.498 2.056 0.627 0.581 0.864 0.614 CB 1.450 89 residues pruned to eliminate duplicates Z: 37 35.062 2.103 0.668 0.638 1.000 0.694 CA 1.463 37 residues pruned to eliminate duplicates Z: 150 63.056 2.116 0.699 0.573 0.899 0.617 CB 1.488 150 residues pruned to eliminate duplicates Z: 41 28.735 2.023 0.712 0.541 0.900 0.575 CA 1.401 41 residues pruned to eliminate duplicates Z: 87 50.808 2.116 0.654 0.611 0.965 0.663 CB 1.460 87 residues pruned to eliminate duplicates Z: 46 31.677 2.132 0.565 0.556 0.911 0.600 CB 1.470 46 residues pruned to eliminate duplicates Z: 152 63.707 2.127 0.662 0.573 0.921 0.649 CB 1.484 152 residues pruned to eliminate duplicates Z: 48 31.316 2.010 0.495 0.616 0.979 0.574 CB 1.392 48 residues pruned to eliminate duplicates Z: 94 46.677 2.074 0.614 0.576 0.925 0.624 CB 1.452 94 residues pruned to eliminate duplicates Z: 94 41.807 2.059 0.504 0.562 0.925 0.559 CB 1.426 94 residues pruned to eliminate duplicates Z: 128 53.224 2.082 0.652 0.549 0.890 0.591 CB 1.470 128 residues pruned to eliminate duplicates Z: 90 43.967 2.060 0.651 0.573 0.910 0.652 CB 1.403 90 residues pruned to eliminate duplicates Z: 21 19.432 2.080 0.506 0.516 0.950 0.600 CB 1.438 21 residues pruned to eliminate duplicates Z: 21 22.900 2.051 0.544 0.602 0.950 0.750 CB 1.544 21 residues pruned to eliminate duplicates Z: 55 44.934 2.068 0.740 0.664 0.981 0.630 CB 1.488 55 residues pruned to eliminate duplicates Z: 74 44.732 2.098 0.709 0.627 0.890 0.616 CB 1.455 74 residues pruned to eliminate duplicates Z: 52 41.517 2.101 0.696 0.639 0.961 0.706 CB 1.491 52 residues pruned to eliminate duplicates Z: 91 39.477 2.055 0.533 0.538 0.922 0.644 CB 1.380 91 residues pruned to eliminate duplicates Z: 56 42.616 2.123 0.714 0.609 0.945 0.582 CB 1.506 56 residues pruned to eliminate duplicates Z: 54 36.441 2.065 0.591 0.600 0.925 0.566 CB 1.498 54 residues pruned to eliminate duplicates Z: 44 30.076 2.086 0.579 0.596 0.884 0.581 CB 1.437 44 residues pruned to eliminate duplicates Z: 112 46.369 2.101 0.635 0.509 0.892 0.532 CB 1.424 112 residues pruned to eliminate duplicates Z: 91 43.036 2.075 0.691 0.565 0.878 0.678 CB 1.384 91 residues pruned to eliminate duplicates Z: 53 27.085 2.013 0.485 0.533 0.885 0.558 CB 1.375 53 residues pruned to eliminate duplicates Z: 55 34.771 2.079 0.629 0.543 0.907 0.648 CB 1.477 55 residues pruned to eliminate duplicates Z: 91 45.860 2.105 0.628 0.564 0.933 0.600 CB 1.420 91 residues pruned to eliminate duplicates Z: 57 40.095 2.089 0.747 0.582 0.929 0.643 CB 1.461 57 residues pruned to eliminate duplicates Z: 89 45.767 2.109 0.658 0.545 0.920 0.580 CB 1.451 89 residues pruned to eliminate duplicates Z: 88 50.782 2.101 0.722 0.581 0.954 0.678 CB 1.459 88 residues pruned to eliminate duplicates Z: 35 21.229 2.049 0.667 0.454 0.824 0.500 CB 1.357 35 residues pruned to eliminate duplicates Z: 45 24.016 2.070 0.669 0.497 0.864 0.477 CB 1.217 45 residues pruned to eliminate duplicates Z: 87 52.522 2.110 0.755 0.585 0.965 0.640 CB 1.461 87 residues pruned to eliminate duplicates Z: 64 33.714 2.095 0.583 0.564 0.873 0.619 CB 1.379 64 residues pruned to eliminate duplicates Z: 48 24.706 1.961 0.640 0.444 0.915 0.426 CB 1.298 48 residues pruned to eliminate duplicates Z: 35 24.568 1.982 0.669 0.580 0.882 0.588 CB 1.337 35 residues pruned to eliminate duplicates Z: 77 46.469 2.103 0.683 0.581 0.934 0.632 CB 1.491 77 residues pruned to eliminate duplicates Z: 42 25.766 1.973 0.714 0.483 0.902 0.561 CB 1.342 42 residues pruned to eliminate duplicates Z: 37 25.732 2.052 0.608 0.554 0.889 0.611 CB 1.387 37 residues pruned to eliminate duplicates Z: 50 25.196 2.083 0.605 0.456 0.857 0.490 CB 1.314 50 residues pruned to eliminate duplicates Z: 37 25.185 2.043 0.639 0.542 0.917 0.556 CB 1.313 37 residues pruned to eliminate duplicates Z: 52 30.615 2.050 0.625 0.602 0.941 0.588 CB 1.241 52 residues pruned to eliminate duplicates Z: 22 23.916 2.014 0.683 0.754 0.952 0.571 CB 1.289 22 residues pruned to eliminate duplicates Z: 117 49.303 2.101 0.630 0.551 0.905 0.586 CB 1.405 117 residues pruned to eliminate duplicates Z: 46 25.770 2.004 0.773 0.476 0.889 0.489 CB 1.246 46 residues pruned to eliminate duplicates Z: 36 24.138 2.017 0.614 0.548 0.914 0.600 CB 1.307 36 residues pruned to eliminate duplicates Z: 72 44.886 2.108 0.638 0.620 0.930 0.662 CB 1.483 72 residues pruned to eliminate duplicates Z: 51 36.267 2.133 0.710 0.621 0.900 0.660 CB 1.393 51 residues pruned to eliminate duplicates Z: 21 29.314 2.079 0.830 0.735 1.000 0.800 CB 1.395 21 residues pruned to eliminate duplicates Z: 26 22.753 1.940 0.680 0.607 0.960 0.680 CB 1.314 26 residues pruned to eliminate duplicates Z: 77 46.212 2.056 0.729 0.594 0.947 0.632 CB 1.439 77 residues pruned to eliminate duplicates Z: 35 24.734 2.052 0.493 0.607 0.941 0.735 CB 1.329 35 residues pruned to eliminate duplicates Z: 34 21.937 1.932 0.652 0.552 0.909 0.576 CB 1.251 34 residues pruned to eliminate duplicates Z: 84 42.809 2.045 0.699 0.569 0.880 0.590 CB 1.439 84 residues pruned to eliminate duplicates Z: 28 14.425 2.040 0.402 0.358 0.889 0.407 CB 1.273 28 residues pruned to eliminate duplicates Z: 12 6.481 1.817 0.289 0.483 0.909 0.636 CB 0.934 12 residues pruned to eliminate duplicates Z: 15 8.274 1.747 0.344 0.376 0.929 0.500 CB 1.157 15 residues pruned to eliminate duplicates Z: 9 4.611 1.876 0.380 0.179 0.750 0.625 CB 1.237 9 residues pruned to eliminate duplicates Z: 10 5.755 1.726 0.595 0.241 0.778 0.444 CB 1.208 10 residues pruned to eliminate duplicates Z: 52 30.482 2.030 0.604 0.626 0.882 0.647 CB 1.319 52 residues pruned to eliminate duplicates Z: 12 8.603 1.897 0.347 0.523 0.909 0.636 CB 1.092 12 residues pruned to eliminate duplicates Z: 98 48.738 2.082 0.749 0.560 0.918 0.608 CB 1.397 98 residues pruned to eliminate duplicates Z: 56 35.469 2.111 0.671 0.598 0.927 0.564 CB 1.331 56 residues pruned to eliminate duplicates Z: 81 41.304 2.048 0.748 0.494 0.913 0.625 CB 1.423 81 residues pruned to eliminate duplicates Z: 96 51.275 2.129 0.707 0.581 0.916 0.600 CB 1.462 96 residues pruned to eliminate duplicates Z: 59 32.399 2.082 0.664 0.494 0.914 0.569 CB 1.353 59 residues pruned to eliminate duplicates Z: 27 17.901 2.163 0.591 0.423 0.808 0.385 CB 1.368 27 residues pruned to eliminate duplicates Z: 60 30.621 2.051 0.577 0.540 0.881 0.593 CB 1.345 60 residues pruned to eliminate duplicates Z: 16 15.727 2.089 0.944 0.279 0.933 0.200 CB 1.376 16 residues pruned to eliminate duplicates Z: 16 13.564 2.075 0.815 0.284 0.800 0.267 CB 1.482 16 residues pruned to eliminate duplicates Z: 16 11.273 2.183 0.537 0.303 0.800 0.267 CB 1.351 16 residues pruned to eliminate duplicates Z: 18 16.226 2.070 0.786 0.371 0.824 0.471 CB 1.484 18 residues pruned to eliminate duplicates Z: 41 26.519 2.144 0.591 0.504 0.900 0.475 CB 1.361 41 residues pruned to eliminate duplicates Z: 56 39.528 2.192 0.711 0.584 0.891 0.473 CB 1.471 56 residues pruned to eliminate duplicates Z: 66 46.219 2.235 0.728 0.568 0.908 0.569 CB 1.530 66 residues pruned to eliminate duplicates Z: 7 5.601 1.571 0.603 0.432 0.833 0.667 CA 1.169 7 residues pruned to eliminate duplicates Z: 22 19.285 1.931 0.426 0.662 0.905 0.524 CA 1.454 22 residues pruned to eliminate duplicates Z: 44 39.350 2.137 0.837 0.628 0.860 0.535 CB 1.575 44 residues pruned to eliminate duplicates Z: 18 22.297 2.110 0.482 0.687 1.000 0.647 CB 1.456 18 residues pruned to eliminate duplicates Z: 20 19.640 2.040 0.605 0.627 0.789 0.474 CB 1.546 20 residues pruned to eliminate duplicates Z: 64 48.369 2.230 0.705 0.555 0.937 0.587 CB 1.623 64 residues pruned to eliminate duplicates Z: 62 46.942 2.209 0.825 0.554 0.869 0.443 CB 1.628 62 residues pruned to eliminate duplicates Z: 116 51.359 2.107 0.664 0.580 0.904 0.591 CB 1.398 116 residues pruned to eliminate duplicates Z: 46 39.887 2.156 0.779 0.622 0.911 0.511 CB 1.516 46 residues pruned to eliminate duplicates Z: 43 39.832 2.201 0.770 0.644 0.905 0.548 CB 1.524 43 residues pruned to eliminate duplicates Z: 27 30.924 2.102 0.789 0.650 0.962 0.692 CB 1.458 27 residues pruned to eliminate duplicates Z: 20 19.738 2.051 0.548 0.681 0.842 0.526 CB 1.435 20 residues pruned to eliminate duplicates Z: 18 19.284 2.062 0.381 0.666 0.941 0.647 CA 1.496 18 residues pruned to eliminate duplicates Z: 43 38.943 2.163 0.844 0.655 0.881 0.548 CB 1.480 43 residues pruned to eliminate duplicates Z: 65 46.295 2.191 0.739 0.554 0.906 0.578 CB 1.590 65 residues pruned to eliminate duplicates Z: 65 46.094 2.228 0.724 0.561 0.891 0.562 CB 1.586 65 residues pruned to eliminate duplicates Z: 114 64.127 2.175 0.763 0.581 0.938 0.655 CB 1.552 114 residues pruned to eliminate duplicates Z: 33 22.476 1.985 0.712 0.546 0.875 0.562 CB 1.278 33 residues pruned to eliminate duplicates Z: 66 48.765 2.213 0.822 0.561 0.892 0.569 CB 1.584 66 residues pruned to eliminate duplicates Z: 64 51.184 2.236 0.822 0.580 0.921 0.587 CB 1.592 64 residues pruned to eliminate duplicates Z: 16 26.875 2.165 1.066 0.705 0.867 0.667 CB 1.485 16 residues pruned to eliminate duplicates Z: 44 42.660 2.202 0.876 0.653 0.884 0.395 CB 1.547 44 residues pruned to eliminate duplicates Z: 46 44.032 2.240 0.883 0.497 0.911 0.489 CB 1.715 46 residues pruned to eliminate duplicates Z: 27 30.572 2.191 0.951 0.543 0.846 0.500 CB 1.588 27 residues pruned to eliminate duplicates Z: 18 27.525 2.231 1.143 0.622 0.824 0.412 CA 1.512 18 residues pruned to eliminate duplicates Z: 46 42.887 2.248 0.828 0.519 0.889 0.422 CB 1.718 46 residues pruned to eliminate duplicates Z: 24 34.154 2.238 1.172 0.610 0.870 0.478 CB 1.517 24 residues pruned to eliminate duplicates Z: 36 26.829 2.044 0.907 0.502 0.829 0.400 CB 1.402 36 residues pruned to eliminate duplicates Z: 25 36.482 2.247 1.115 0.604 0.875 0.542 CB 1.621 25 residues pruned to eliminate duplicates Z: 25 34.016 2.295 1.091 0.594 0.875 0.625 CB 1.512 25 residues pruned to eliminate duplicates Z: 25 32.582 2.186 1.008 0.609 0.833 0.500 CB 1.639 25 residues pruned to eliminate duplicates Z: 26 34.884 2.216 1.079 0.591 0.880 0.600 CB 1.577 26 residues pruned to eliminate duplicates Z: 45 45.674 2.256 0.981 0.509 0.909 0.500 CB 1.680 45 residues pruned to eliminate duplicates Z: 47 41.277 2.242 0.808 0.483 0.935 0.609 CB 1.634 47 residues pruned to eliminate duplicates Z: 70 47.798 2.168 0.841 0.529 0.928 0.493 CB 1.510 70 residues pruned to eliminate duplicates Z: 24 36.495 2.242 1.083 0.621 0.870 0.565 CB 1.672 24 residues pruned to eliminate duplicates Z: 46 43.077 2.264 0.945 0.509 0.889 0.511 CB 1.627 46 residues pruned to eliminate duplicates Z: 65 52.654 2.225 0.844 0.578 0.938 0.594 CB 1.588 65 residues pruned to eliminate duplicates Z: 6 8.203 1.719 0.656 0.526 1.000 0.400 CA 1.255 6 residues pruned to eliminate duplicates Z: 23 20.882 2.162 0.585 0.379 0.909 0.545 CA 1.625 23 residues pruned to eliminate duplicates Z: 22 22.188 2.171 0.595 0.419 1.000 0.571 CA 1.522 22 residues pruned to eliminate duplicates Z: 22 23.282 2.242 0.595 0.389 0.952 0.476 CA 1.677 22 residues pruned to eliminate duplicates Z: 6 6.194 1.772 0.577 0.709 1.000 0.400 CB 0.820 6 residues pruned to eliminate duplicates Z: 20 20.023 2.186 0.739 0.436 0.895 0.526 CB 1.443 20 residues pruned to eliminate duplicates Z: 19 26.233 2.296 0.688 0.463 1.000 0.667 CA 1.658 20 residues pruned to eliminate duplicates Z: 8 9.812 1.865 0.832 0.512 1.000 0.714 CA 1.073 8 residues pruned to eliminate duplicates Z: 23 21.347 2.163 0.693 0.357 0.909 0.455 CB 1.596 23 residues pruned to eliminate duplicates Z: 23 22.449 2.180 0.727 0.348 0.909 0.500 CB 1.649 23 residues pruned to eliminate duplicates Z: 45 41.543 2.255 0.826 0.554 0.909 0.636 CB 1.587 44 residues pruned to eliminate duplicates Z: 13 16.902 2.024 0.578 0.602 1.000 0.333 CA 1.387 13 residues pruned to eliminate duplicates Z: 22 23.760 2.228 0.701 0.409 0.905 0.571 CA 1.664 22 residues pruned to eliminate duplicates Z: 24 18.734 2.089 0.600 0.352 0.913 0.565 CB 1.501 24 residues pruned to eliminate duplicates Z: 22 19.242 2.208 0.578 0.389 0.810 0.429 CA 1.675 22 residues pruned to eliminate duplicates Z: 68 46.393 2.147 0.799 0.559 0.896 0.493 CB 1.547 68 residues pruned to eliminate duplicates Z: 46 45.635 2.265 0.938 0.548 0.911 0.600 CB 1.624 47 residues pruned to eliminate duplicates Z: 10 10.738 1.920 0.719 0.477 0.889 0.556 CA 1.249 9 residues pruned to eliminate duplicates Z: 6 3.667 1.483 0.244 0.330 1.000 1.000 CA 1.071 6 residues pruned to eliminate duplicates Z: 20 23.374 2.170 0.729 0.575 0.895 0.474 CB 1.485 20 residues pruned to eliminate duplicates Z: 30 28.903 2.163 0.771 0.560 0.897 0.586 CB 1.474 30 residues pruned to eliminate duplicates Z: 13 25.308 2.035 0.744 0.872 1.000 0.583 CA 1.501 13 residues pruned to eliminate duplicates Z: 21 24.263 2.062 0.809 0.574 0.900 0.500 CB 1.505 24 residues pruned to eliminate duplicates Z: 14 24.405 2.036 0.698 0.785 1.000 0.538 CB 1.524 14 residues pruned to eliminate duplicates Z: 25 24.423 2.095 0.802 0.603 0.875 0.583 CB 1.367 25 residues pruned to eliminate duplicates Z: 20 25.184 2.077 0.738 0.615 0.947 0.632 CB 1.515 19 residues pruned to eliminate duplicates Z: 16 19.975 1.809 0.719 0.766 1.000 0.600 CA 1.310 16 residues pruned to eliminate duplicates Z: 19 29.343 2.165 0.931 0.638 0.944 0.611 CB 1.540 20 residues pruned to eliminate duplicates Z: 14 21.717 2.034 0.864 0.779 0.923 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 20 25.376 2.163 0.785 0.607 0.895 0.632 CB 1.523 20 residues pruned to eliminate duplicates Z: 53 33.750 2.091 0.649 0.519 0.904 0.577 CB 1.473 54 residues pruned to eliminate duplicates Z: 15 21.723 2.158 0.746 0.692 0.929 0.643 CB 1.393 15 residues pruned to eliminate duplicates Z: 13 13.118 2.010 0.748 0.500 0.833 0.583 CB 1.293 13 residues pruned to eliminate duplicates Z: 30 28.391 2.110 0.711 0.589 0.931 0.586 CB 1.440 30 residues pruned to eliminate duplicates Z: 12 14.987 2.107 0.618 0.538 0.909 0.636 CB 1.404 12 residues pruned to eliminate duplicates Z: 12 12.259 2.088 0.567 0.469 0.818 0.545 CB 1.426 12 residues pruned to eliminate duplicates Z: 30 29.045 2.134 0.878 0.564 0.862 0.724 CB 1.467 30 residues pruned to eliminate duplicates Z: 30 24.456 2.114 0.680 0.545 0.862 0.690 CB 1.419 30 residues pruned to eliminate duplicates Z: 75 39.541 2.049 0.846 0.518 0.865 0.527 CB 1.381 75 residues pruned to eliminate duplicates Z: 12 15.586 2.117 0.785 0.514 0.909 0.727 CB 1.349 12 residues pruned to eliminate duplicates Z: 31 25.731 2.129 0.791 0.540 0.867 0.667 CB 1.366 31 residues pruned to eliminate duplicates Z: 6 10.009 1.960 0.371 0.607 1.000 0.800 CB 1.506 6 residues pruned to eliminate duplicates Z: 6 2.861 1.539 0.049 0.271 1.000 0.600 CA 1.028 6 residues pruned to eliminate duplicates Z: 29 19.839 1.986 0.844 0.366 0.786 0.464 CB 1.504 29 residues pruned to eliminate duplicates Z: 7 4.914 1.731 0.330 0.318 0.833 0.667 CB 1.278 7 residues pruned to eliminate duplicates Z: 7 4.281 1.867 0.254 0.394 0.667 0.667 CB 1.253 6 residues pruned to eliminate duplicates Z: 6 6.786 1.702 0.881 0.465 1.000 0.800 CB 0.982 6 residues pruned to eliminate duplicates Z: 30 19.003 1.993 0.682 0.332 0.828 0.414 CB 1.529 30 residues pruned to eliminate duplicates Z: 12 15.644 2.132 0.749 0.408 0.909 0.636 CA 1.533 12 residues pruned to eliminate duplicates Z: 20 14.515 1.906 0.558 0.353 0.895 0.316 CA 1.469 20 residues pruned to eliminate duplicates Z: 16 16.874 2.155 0.888 0.308 0.867 0.400 CA 1.531 16 residues pruned to eliminate duplicates Z: 13 8.984 1.987 0.659 0.295 0.833 0.333 CB 1.187 14 residues pruned to eliminate duplicates Z: 6 3.687 1.661 0.354 0.323 0.800 0.600 C 1.113 6 residues pruned to eliminate duplicates Z: 8 9.260 1.886 1.076 0.537 0.857 0.571 CB 1.005 8 residues pruned to eliminate duplicates Z: 6 9.085 1.848 1.030 0.441 1.000 0.600 CA 1.151 6 residues pruned to eliminate duplicates Z: 6 6.745 1.444 0.772 0.666 1.000 0.400 CB 1.010 5 residues pruned to eliminate duplicates Z: 7 3.176 1.608 0.585 0.308 0.667 0.500 CA 0.945 Z: 7 3.284 1.193 0.607 0.407 1.000 0.833 N 0.771 7 residues pruned to eliminate duplicates Z: 31 17.763 1.833 0.680 0.424 0.867 0.600 CB 1.315 31 residues pruned to eliminate duplicates Z: 37 20.228 1.971 0.639 0.424 0.861 0.556 CB 1.312 37 residues pruned to eliminate duplicates Z: 32 22.651 2.013 0.723 0.499 0.935 0.710 CB 1.255 32 residues pruned to eliminate duplicates Z: 34 19.435 1.987 0.581 0.435 0.970 0.606 CB 1.187 34 residues pruned to eliminate duplicates Z: 25 22.519 2.120 0.620 0.486 1.000 0.708 CB 1.357 25 residues pruned to eliminate duplicates Z: 29 21.149 1.997 0.631 0.482 0.929 0.714 CB 1.346 29 residues pruned to eliminate duplicates Z: 31 18.335 1.994 0.607 0.380 0.900 0.600 CB 1.319 31 residues pruned to eliminate duplicates Z: 23 16.975 1.978 0.720 0.401 0.864 0.682 CB 1.367 23 residues pruned to eliminate duplicates Z: 24 21.446 2.100 0.813 0.414 0.913 0.565 CB 1.408 24 residues pruned to eliminate duplicates Z: 32 21.171 1.959 0.775 0.447 0.935 0.645 CB 1.234 32 residues pruned to eliminate duplicates Z: 20 22.218 2.173 0.764 0.373 1.000 0.684 CB 1.523 20 residues pruned to eliminate duplicates Z: 25 21.094 2.053 0.738 0.392 0.958 0.667 CB 1.411 25 residues pruned to eliminate duplicates Z: 24 22.618 2.061 0.671 0.501 0.957 0.783 CB 1.431 24 residues pruned to eliminate duplicates Z: 25 23.145 2.095 0.692 0.463 0.958 0.708 CB 1.444 25 residues pruned to eliminate duplicates Z: 25 25.478 2.150 0.722 0.489 1.000 0.708 CB 1.420 25 residues pruned to eliminate duplicates Z: 16 16.947 2.067 0.676 0.404 0.867 0.667 CB 1.612 16 residues pruned to eliminate duplicates Z: 25 20.482 2.015 0.661 0.414 0.958 0.667 CB 1.426 25 residues pruned to eliminate duplicates Z: 33 21.792 2.000 0.673 0.452 0.969 0.656 CB 1.248 33 residues pruned to eliminate duplicates Z: 26 19.409 2.005 0.785 0.395 0.880 0.560 CB 1.378 26 residues pruned to eliminate duplicates Z: 25 23.866 2.105 0.787 0.441 1.000 0.667 CB 1.377 25 residues pruned to eliminate duplicates Z: 16 13.439 2.038 0.772 0.450 0.867 0.467 CA 1.167 16 residues pruned to eliminate duplicates Z: 25 18.174 2.053 0.717 0.398 0.875 0.708 CB 1.339 25 residues pruned to eliminate duplicates Z: 26 21.373 2.052 0.686 0.437 1.000 0.560 CB 1.318 26 residues pruned to eliminate duplicates Z: 24 19.144 2.077 0.510 0.453 0.957 0.652 CB 1.396 24 residues pruned to eliminate duplicates Z: 25 21.408 2.019 0.620 0.470 1.000 0.667 CB 1.378 25 residues pruned to eliminate duplicates Z: 39 24.216 1.915 0.604 0.511 0.974 0.711 CB 1.299 39 residues pruned to eliminate duplicates 350 residues left after pruning, divided into chains as follows: A: 37 B: 283 C: 30 CC for partial structure against native data = 41.30 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.345, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.393, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.466, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.471, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.479, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.484, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.489, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.494, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.497, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.501, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2616 peaks > 0.5 sigma used to seed fragment search Space for about 388 unique residues taking solvent into account 522 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 39.129 2.300 1.379 0.868 0.917 0.667 CB 1.646 B: 12 26.163 2.230 0.675 0.802 1.000 0.818 CA 1.622 C: 11 24.975 2.244 0.571 0.919 1.000 0.900 CB 1.579 D: 12 23.436 2.188 0.559 0.888 1.000 0.727 CB 1.492 11 residues pruned to eliminate duplicates E: 26 30.667 2.053 0.723 0.840 0.960 0.760 CB 1.348 12 residues pruned to eliminate duplicates F: 14 19.859 2.163 0.578 0.853 0.846 0.769 CB 1.409 14 residues pruned to eliminate duplicates G: 24 20.165 2.109 0.638 0.577 0.783 0.696 CB 1.444 H: 23 18.266 2.068 0.594 0.404 0.909 0.500 CB 1.438 I: 16 32.270 2.088 1.348 0.796 0.867 0.667 CB 1.513 15 residues pruned to eliminate duplicates J: 13 20.772 1.861 0.811 0.874 1.000 0.667 CA 1.295 13 residues pruned to eliminate duplicates K: 15 17.085 1.920 0.393 0.833 0.929 0.643 CA 1.379 L: 77 45.253 2.062 0.709 0.617 0.934 0.632 CB 1.412 26 residues pruned to eliminate duplicates M: 15 34.029 2.094 1.225 0.864 0.929 0.571 CB 1.541 15 residues pruned to eliminate duplicates N: 11 14.118 1.995 0.376 0.781 0.900 0.500 CA 1.411 11 residues pruned to eliminate duplicates O: 57 40.337 2.070 0.587 0.617 0.982 0.607 CB 1.495 58 residues pruned to eliminate duplicates P: 37 36.450 2.134 0.730 0.623 0.972 0.556 CA 1.507 37 residues pruned to eliminate duplicates Q: 42 26.766 2.123 0.619 0.531 0.805 0.585 CB 1.466 15 residues pruned to eliminate duplicates R: 21 10.129 1.836 0.649 0.378 0.650 0.400 CB 1.311 21 residues pruned to eliminate duplicates S: 16 19.188 1.939 0.390 0.818 1.000 0.667 CA 1.395 14 residues pruned to eliminate duplicates T: 88 48.430 2.092 0.686 0.593 0.943 0.644 CB 1.428 89 residues pruned to eliminate duplicates U: 12 11.803 2.058 0.793 0.444 0.818 0.636 CB 1.249 12 residues pruned to eliminate duplicates V: 15 28.537 2.113 1.150 0.853 0.929 0.857 CB 1.337 15 residues pruned to eliminate duplicates W: 12 19.264 2.073 0.356 0.871 1.000 0.727 CB 1.507 12 residues pruned to eliminate duplicates X: 89 46.463 2.102 0.618 0.587 0.932 0.659 CB 1.438 88 residues pruned to eliminate duplicates Y: 6 7.075 1.958 0.027 0.800 0.800 0.400 CA 1.513 Z: 16 20.501 1.936 0.681 0.859 0.867 0.667 CA 1.381 16 residues pruned to eliminate duplicates Z: 20 27.289 2.119 1.035 0.619 0.842 0.684 CB 1.541 Z: 43 41.467 2.194 0.848 0.673 0.905 0.643 CB 1.487 40 residues pruned to eliminate duplicates Z: 11 17.671 1.964 0.600 0.822 1.000 0.600 CB 1.345 Z: 14 32.575 2.188 1.247 0.876 0.923 0.846 CB 1.447 14 residues pruned to eliminate duplicates Z: 11 16.219 2.060 0.511 0.745 0.900 0.600 CA 1.471 11 residues pruned to eliminate duplicates Z: 40 29.641 2.017 0.742 0.570 0.897 0.410 CB 1.407 40 residues pruned to eliminate duplicates Z: 39 30.601 2.016 0.938 0.467 0.842 0.447 CB 1.560 39 residues pruned to eliminate duplicates Z: 64 48.908 2.187 0.846 0.558 0.889 0.508 CB 1.622 43 residues pruned to eliminate duplicates Z: 26 28.111 2.098 0.543 0.830 0.960 0.720 CB 1.361 17 residues pruned to eliminate duplicates Z: 11 5.627 1.857 0.249 0.365 0.700 0.500 CB 1.267 11 residues pruned to eliminate duplicates Z: 11 12.158 1.846 0.361 0.807 1.000 0.600 CB 1.171 11 residues pruned to eliminate duplicates Z: 13 12.998 1.701 0.516 0.768 1.000 0.750 CB 1.147 13 residues pruned to eliminate duplicates Z: 7 10.488 1.917 0.436 0.566 1.000 0.333 N 1.459 7 residues pruned to eliminate duplicates Z: 21 22.943 1.896 0.705 0.786 0.950 0.600 CA 1.299 21 residues pruned to eliminate duplicates Z: 15 31.320 2.125 1.112 0.849 0.857 0.714 CB 1.612 15 residues pruned to eliminate duplicates Z: 11 19.800 2.206 0.450 0.794 0.900 0.800 CB 1.681 11 residues pruned to eliminate duplicates Z: 12 17.251 1.927 0.473 0.861 1.000 0.818 CA 1.346 12 residues pruned to eliminate duplicates Z: 36 28.426 2.031 0.855 0.547 0.857 0.657 CB 1.422 36 residues pruned to eliminate duplicates Z: 11 20.398 1.985 0.711 0.877 1.000 0.800 CA 1.380 11 residues pruned to eliminate duplicates Z: 14 16.515 1.965 0.300 0.795 1.000 0.769 CA 1.385 13 residues pruned to eliminate duplicates Z: 14 27.624 2.156 1.096 0.906 0.923 0.769 CB 1.307 14 residues pruned to eliminate duplicates Z: 20 18.445 1.889 0.635 0.784 0.895 0.737 CB 1.193 20 residues pruned to eliminate duplicates Z: 15 34.369 2.186 1.328 0.891 0.857 0.714 CB 1.514 15 residues pruned to eliminate duplicates Z: 30 29.841 2.088 1.032 0.592 0.793 0.621 CB 1.508 30 residues pruned to eliminate duplicates Z: 67 50.000 2.138 0.882 0.559 0.924 0.485 CB 1.563 67 residues pruned to eliminate duplicates Z: 77 46.942 2.087 0.721 0.619 0.921 0.658 CB 1.454 77 residues pruned to eliminate duplicates Z: 19 25.476 1.995 0.604 0.825 1.000 0.500 CA 1.416 19 residues pruned to eliminate duplicates Z: 14 30.187 2.131 1.174 0.889 0.923 0.692 CB 1.410 14 residues pruned to eliminate duplicates Z: 14 22.702 1.952 1.086 0.794 0.846 0.385 CB 1.412 14 residues pruned to eliminate duplicates Z: 66 38.694 2.062 0.741 0.500 0.908 0.538 CB 1.473 50 residues pruned to eliminate duplicates Z: 11 13.696 1.943 0.494 0.759 0.900 0.500 CB 1.316 11 residues pruned to eliminate duplicates Z: 30 36.901 2.138 0.802 0.670 0.966 0.759 CB 1.575 30 residues pruned to eliminate duplicates Z: 26 23.159 2.078 0.676 0.490 0.960 0.600 CB 1.399 Z: 13 17.773 1.963 0.350 0.842 0.917 0.750 CA 1.573 13 residues pruned to eliminate duplicates Z: 15 17.050 1.900 0.899 0.501 0.857 0.714 CA 1.472 15 residues pruned to eliminate duplicates Z: 39 23.186 1.969 0.711 0.501 0.868 0.605 CB 1.284 27 residues pruned to eliminate duplicates Z: 11 18.470 2.184 0.172 0.908 1.000 0.800 CB 1.620 11 residues pruned to eliminate duplicates Z: 91 47.711 2.074 0.608 0.581 0.933 0.622 CB 1.495 92 residues pruned to eliminate duplicates Z: 17 21.579 1.886 0.415 0.864 1.000 0.875 CA 1.481 17 residues pruned to eliminate duplicates Z: 10 15.199 2.021 0.566 0.575 1.000 0.778 CB 1.489 11 residues pruned to eliminate duplicates Z: 150 64.455 2.118 0.707 0.560 0.906 0.617 CB 1.520 133 residues pruned to eliminate duplicates Z: 64 42.289 2.089 0.638 0.568 0.968 0.651 CB 1.506 64 residues pruned to eliminate duplicates Z: 15 22.493 1.984 0.605 0.851 0.929 0.714 CB 1.505 15 residues pruned to eliminate duplicates Z: 14 31.359 2.071 1.284 0.878 1.000 0.462 CB 1.335 14 residues pruned to eliminate duplicates Z: 47 25.825 2.054 0.652 0.475 0.891 0.543 CB 1.291 47 residues pruned to eliminate duplicates Z: 25 31.287 2.145 0.555 0.852 0.958 0.875 CB 1.478 25 residues pruned to eliminate duplicates Z: 24 26.408 2.016 0.919 0.501 0.957 0.565 CB 1.486 23 residues pruned to eliminate duplicates Z: 10 6.918 1.760 0.268 0.417 0.778 0.444 CB 1.448 10 residues pruned to eliminate duplicates Z: 9 9.679 1.974 0.827 0.381 1.000 0.750 CB 1.076 9 residues pruned to eliminate duplicates Z: 8 28.173 2.397 0.774 0.915 1.000 0.857 CB 1.769 8 residues pruned to eliminate duplicates Z: 20 12.898 1.787 0.649 0.543 0.895 0.579 CB 1.076 20 residues pruned to eliminate duplicates Z: 24 38.354 2.200 1.192 0.668 0.913 0.522 CB 1.555 24 residues pruned to eliminate duplicates Z: 10 8.792 1.784 0.442 0.528 0.889 0.556 CB 1.247 10 residues pruned to eliminate duplicates Z: 20 33.650 2.198 1.175 0.665 0.895 0.737 CB 1.550 20 residues pruned to eliminate duplicates Z: 69 44.398 2.145 0.751 0.515 0.926 0.588 CB 1.525 69 residues pruned to eliminate duplicates Z: 33 24.217 2.119 0.646 0.540 0.875 0.469 CB 1.349 33 residues pruned to eliminate duplicates Z: 20 24.272 2.000 0.693 0.826 0.947 0.737 CB 1.309 20 residues pruned to eliminate duplicates Z: 34 24.052 1.989 0.646 0.484 0.939 0.636 CB 1.384 34 residues pruned to eliminate duplicates Z: 37 22.115 1.990 0.537 0.486 0.944 0.556 CB 1.293 37 residues pruned to eliminate duplicates Z: 31 35.476 2.107 1.126 0.538 0.867 0.533 CB 1.608 31 residues pruned to eliminate duplicates Z: 16 7.284 1.841 0.560 0.266 0.733 0.333 CB 1.166 16 residues pruned to eliminate duplicates Z: 6 8.965 1.634 0.534 0.802 1.000 0.800 CA 1.229 6 residues pruned to eliminate duplicates Z: 51 42.752 2.105 0.846 0.621 0.920 0.740 CB 1.508 51 residues pruned to eliminate duplicates Z: 14 28.537 2.030 1.048 0.909 1.000 0.923 CB 1.351 14 residues pruned to eliminate duplicates Z: 29 22.441 2.164 0.476 0.521 0.893 0.679 CB 1.456 29 residues pruned to eliminate duplicates Z: 59 35.614 2.145 0.705 0.532 0.862 0.586 CB 1.437 59 residues pruned to eliminate duplicates Z: 31 25.522 2.149 0.674 0.539 0.867 0.600 CB 1.439 25 residues pruned to eliminate duplicates Z: 6 5.059 1.424 0.154 0.741 1.000 1.000 N 1.109 Z: 17 17.647 1.929 0.418 0.858 0.875 0.812 CA 1.358 17 residues pruned to eliminate duplicates Z: 17 11.538 2.135 0.482 0.351 0.812 0.375 CB 1.319 17 residues pruned to eliminate duplicates 6 2.000 1.774 0.523 0.295 0.400 0.400 CB 1.041 ? Z: 14 16.249 1.958 0.598 0.743 0.846 0.615 CB 1.369 14 residues pruned to eliminate duplicates Z: 13 21.016 2.029 0.492 0.927 1.000 0.917 CB 1.405 13 residues pruned to eliminate duplicates Z: 18 9.814 1.855 0.503 0.417 0.882 0.529 CB 1.055 18 residues pruned to eliminate duplicates Z: 14 36.860 2.123 1.358 0.894 1.000 0.769 CB 1.465 14 residues pruned to eliminate duplicates Z: 12 17.112 2.099 0.172 0.921 1.000 0.909 CA 1.476 12 residues pruned to eliminate duplicates Z: 12 14.040 2.024 0.065 0.846 1.000 0.818 CA 1.459 12 residues pruned to eliminate duplicates Z: 16 30.854 2.071 1.077 0.861 1.000 0.667 CB 1.361 16 residues pruned to eliminate duplicates Z: 45 44.431 2.214 0.840 0.547 0.955 0.636 CB 1.646 44 residues pruned to eliminate duplicates Z: 8 3.495 1.690 0.193 0.603 0.857 0.429 CB 0.693 8 residues pruned to eliminate duplicates Z: 13 14.976 2.065 0.586 0.567 0.917 0.667 CB 1.349 13 residues pruned to eliminate duplicates Z: 20 20.871 1.982 0.503 0.782 0.895 0.579 CA 1.402 20 residues pruned to eliminate duplicates Z: 11 4.918 1.661 0.240 0.373 0.800 0.500 CA 1.081 11 residues pruned to eliminate duplicates Z: 9 9.549 1.782 0.663 0.597 0.875 0.750 CB 1.186 9 residues pruned to eliminate duplicates Z: 9 10.237 1.867 0.476 0.793 0.875 0.625 CB 1.161 9 residues pruned to eliminate duplicates Z: 12 18.576 2.078 0.236 0.924 1.000 0.909 CB 1.531 12 residues pruned to eliminate duplicates Z: 12 20.100 2.087 0.347 0.901 1.000 0.909 CA 1.539 12 residues pruned to eliminate duplicates Z: 9 12.391 1.847 0.519 0.815 1.000 0.750 CB 1.188 9 residues pruned to eliminate duplicates Z: 36 24.633 2.015 0.720 0.594 0.829 0.457 CA 1.325 36 residues pruned to eliminate duplicates Z: 10 13.253 1.901 0.567 0.615 0.889 0.889 CA 1.496 10 residues pruned to eliminate duplicates Z: 13 8.161 1.658 0.233 0.496 0.917 0.500 CB 1.262 13 residues pruned to eliminate duplicates Z: 24 19.268 2.032 0.496 0.405 0.957 0.565 CA 1.527 24 residues pruned to eliminate duplicates Z: 6 2.807 1.951 -0.045 0.733 0.400 0.400 CA 1.367 6 residues pruned to eliminate duplicates Z: 8 9.784 1.950 0.066 0.780 0.857 0.714 CB 1.622 8 residues pruned to eliminate duplicates Z: 11 24.170 2.144 0.663 0.797 1.000 0.700 CB 1.653 11 residues pruned to eliminate duplicates Z: 17 29.822 2.018 1.099 0.858 0.938 0.562 CB 1.382 17 residues pruned to eliminate duplicates Z: 25 29.988 2.150 0.675 0.830 0.917 0.667 CB 1.395 25 residues pruned to eliminate duplicates Z: 26 28.479 2.068 0.571 0.835 0.920 0.720 CB 1.427 26 residues pruned to eliminate duplicates Z: 33 27.932 2.089 0.760 0.617 0.844 0.531 CA 1.425 33 residues pruned to eliminate duplicates Z: 13 21.823 1.987 0.433 0.931 1.000 1.000 CB 1.547 13 residues pruned to eliminate duplicates Z: 9 10.396 1.807 0.405 0.794 1.000 0.875 CB 1.119 9 residues pruned to eliminate duplicates Z: 10 6.806 2.066 0.101 0.424 0.889 0.444 CB 1.215 6 residues pruned to eliminate duplicates Z: 13 9.844 1.897 0.715 0.353 0.750 0.500 CB 1.366 13 residues pruned to eliminate duplicates Z: 19 24.088 1.995 0.641 0.812 0.944 0.778 CB 1.399 19 residues pruned to eliminate duplicates Z: 22 36.545 2.205 1.374 0.672 0.905 0.667 CB 1.436 22 residues pruned to eliminate duplicates Z: 18 22.129 2.007 0.445 0.837 1.000 0.824 CB 1.385 18 residues pruned to eliminate duplicates Z: 29 27.513 2.007 0.776 0.614 0.964 0.500 CA 1.358 29 residues pruned to eliminate duplicates Z: 6 5.826 1.767 0.474 0.467 0.800 0.800 CA 1.294 Z: 13 14.662 1.935 0.409 0.853 0.917 0.750 CB 1.252 13 residues pruned to eliminate duplicates Z: 30 18.071 2.106 0.633 0.420 0.862 0.517 CB 1.230 40 residues pruned to eliminate duplicates Z: 8 4.829 1.455 0.580 0.463 0.857 0.429 CB 0.961 8 residues pruned to eliminate duplicates Z: 22 26.393 2.138 0.863 0.456 0.952 0.571 CB 1.588 22 residues pruned to eliminate duplicates Z: 33 25.566 2.144 0.509 0.536 0.906 0.438 CB 1.489 33 residues pruned to eliminate duplicates Z: 33 33.718 2.059 0.874 0.637 0.938 0.750 CB 1.449 33 residues pruned to eliminate duplicates Z: 25 29.031 2.167 0.498 0.836 0.917 0.542 CB 1.490 25 residues pruned to eliminate duplicates Z: 42 38.140 2.052 0.686 0.684 0.951 0.634 CB 1.529 42 residues pruned to eliminate duplicates Z: 16 25.592 1.901 0.808 0.866 1.000 0.600 CA 1.407 16 residues pruned to eliminate duplicates Z: 25 11.498 1.834 0.522 0.336 0.833 0.542 CB 1.208 25 residues pruned to eliminate duplicates Z: 63 42.416 2.132 0.803 0.561 0.887 0.645 CB 1.489 63 residues pruned to eliminate duplicates Z: 19 21.924 1.982 0.547 0.814 1.000 0.833 CB 1.283 19 residues pruned to eliminate duplicates Z: 29 24.255 2.008 0.907 0.371 0.929 0.500 CB 1.480 30 residues pruned to eliminate duplicates Z: 17 20.788 1.835 0.599 0.864 1.000 0.875 CB 1.299 17 residues pruned to eliminate duplicates Z: 22 16.722 1.806 0.497 0.710 0.905 0.476 CB 1.233 22 residues pruned to eliminate duplicates Z: 11 8.125 1.905 0.638 0.514 0.800 0.500 CB 1.015 11 residues pruned to eliminate duplicates Z: 18 16.061 1.935 0.461 0.842 0.824 0.706 CA 1.247 18 residues pruned to eliminate duplicates Z: 51 43.260 2.195 0.733 0.587 0.920 0.720 CB 1.607 51 residues pruned to eliminate duplicates Z: 20 17.226 2.067 0.427 0.628 0.842 0.737 CB 1.411 20 residues pruned to eliminate duplicates Z: 15 20.840 1.882 0.766 0.852 1.000 0.714 CB 1.240 15 residues pruned to eliminate duplicates Z: 6 2.764 1.706 0.111 0.573 0.600 0.400 CB 1.013 6 residues pruned to eliminate duplicates Z: 21 21.820 1.918 0.597 0.804 0.950 0.600 CA 1.286 21 residues pruned to eliminate duplicates Z: 37 22.151 2.004 0.488 0.500 0.972 0.639 CB 1.274 37 residues pruned to eliminate duplicates Z: 16 19.741 1.809 0.611 0.802 1.000 0.800 CB 1.344 16 residues pruned to eliminate duplicates Z: 13 9.915 2.066 0.229 0.385 0.917 0.500 CB 1.389 13 residues pruned to eliminate duplicates Z: 60 42.037 2.168 0.711 0.567 0.915 0.627 CB 1.512 60 residues pruned to eliminate duplicates Z: 18 9.816 2.064 0.672 0.310 0.706 0.353 CB 1.207 18 residues pruned to eliminate duplicates Z: 10 6.327 1.735 0.401 0.280 0.778 0.556 CA 1.430 10 residues pruned to eliminate duplicates Z: 57 34.725 2.085 0.629 0.587 0.911 0.625 CB 1.381 57 residues pruned to eliminate duplicates Z: 24 20.388 2.042 0.686 0.483 0.870 0.696 CB 1.445 24 residues pruned to eliminate duplicates Z: 15 26.729 2.097 0.778 0.855 0.929 0.786 CB 1.523 15 residues pruned to eliminate duplicates Z: 7 8.256 1.709 0.556 0.751 0.833 0.167 CA 1.216 7 residues pruned to eliminate duplicates Z: 25 16.654 1.998 0.681 0.402 0.833 0.667 CB 1.347 25 residues pruned to eliminate duplicates Z: 8 7.339 1.714 -0.119 0.776 1.000 0.714 C 1.440 8 residues pruned to eliminate duplicates Z: 21 22.585 1.894 0.802 0.781 0.950 0.800 CB 1.217 21 residues pruned to eliminate duplicates Z: 22 18.912 2.066 0.674 0.435 0.810 0.476 CA 1.577 22 residues pruned to eliminate duplicates Z: 13 30.380 2.208 1.120 0.900 0.917 0.667 CB 1.460 13 residues pruned to eliminate duplicates Z: 19 23.783 1.928 0.696 0.804 0.944 0.778 CB 1.392 19 residues pruned to eliminate duplicates Z: 21 17.805 1.875 0.556 0.744 0.900 0.500 CB 1.219 21 residues pruned to eliminate duplicates Z: 89 48.063 2.067 0.707 0.583 0.932 0.648 CB 1.438 89 residues pruned to eliminate duplicates Z: 73 40.759 2.169 0.600 0.525 0.889 0.597 CB 1.518 73 residues pruned to eliminate duplicates Z: 35 31.469 1.987 0.700 0.644 0.971 0.647 CA 1.439 35 residues pruned to eliminate duplicates Z: 11 10.683 1.885 0.228 0.823 0.900 0.600 CB 1.226 11 residues pruned to eliminate duplicates Z: 12 26.938 2.132 0.790 0.883 1.000 0.636 CB 1.539 12 residues pruned to eliminate duplicates Z: 11 9.467 1.979 0.331 0.332 0.900 0.600 CB 1.517 11 residues pruned to eliminate duplicates Z: 15 15.105 1.957 0.255 0.890 0.786 0.571 CB 1.505 15 residues pruned to eliminate duplicates Z: 44 24.550 2.019 0.710 0.462 0.860 0.488 CB 1.310 44 residues pruned to eliminate duplicates Z: 37 17.665 1.974 0.487 0.483 0.806 0.528 CB 1.267 37 residues pruned to eliminate duplicates Z: 11 10.988 1.990 0.564 0.464 0.800 0.600 CB 1.449 11 residues pruned to eliminate duplicates Z: 17 29.789 2.025 1.327 0.843 0.938 0.750 CB 1.255 17 residues pruned to eliminate duplicates Z: 18 19.128 1.974 0.338 0.842 1.000 0.765 CB 1.309 18 residues pruned to eliminate duplicates Z: 20 24.476 1.952 0.570 0.835 1.000 0.842 CA 1.373 20 residues pruned to eliminate duplicates Z: 25 32.842 2.088 0.750 0.863 0.958 0.792 CB 1.404 25 residues pruned to eliminate duplicates Z: 38 29.400 2.113 0.727 0.542 0.865 0.676 CB 1.470 38 residues pruned to eliminate duplicates Z: 8 9.106 1.692 0.577 0.734 1.000 0.571 CA 1.045 8 residues pruned to eliminate duplicates Z: 15 22.705 1.967 0.656 0.838 1.000 0.571 CA 1.392 15 residues pruned to eliminate duplicates Z: 8 17.847 2.264 0.361 0.902 1.000 0.857 CB 1.562 8 residues pruned to eliminate duplicates Z: 14 9.575 1.960 0.570 0.350 0.923 0.538 CB 1.100 14 residues pruned to eliminate duplicates Z: 11 11.705 1.889 0.628 0.529 0.800 0.700 CA 1.462 11 residues pruned to eliminate duplicates Z: 9 8.576 1.838 0.409 0.799 0.875 0.875 CB 1.030 9 residues pruned to eliminate duplicates Z: 10 6.591 2.176 0.326 0.324 0.778 0.444 CB 1.188 10 residues pruned to eliminate duplicates Z: 51 34.448 2.039 0.820 0.576 0.880 0.600 CB 1.386 51 residues pruned to eliminate duplicates Z: 97 42.812 2.089 0.570 0.552 0.917 0.625 CB 1.381 97 residues pruned to eliminate duplicates Z: 88 47.413 2.077 0.663 0.560 0.943 0.598 CB 1.473 88 residues pruned to eliminate duplicates Z: 8 3.237 1.360 0.554 0.213 0.857 0.571 CA 0.946 7 residues pruned to eliminate duplicates Z: 13 15.183 1.991 0.725 0.546 0.833 0.583 CA 1.464 13 residues pruned to eliminate duplicates Z: 17 21.240 2.088 0.654 0.542 0.938 0.562 CB 1.574 17 residues pruned to eliminate duplicates Z: 20 24.282 2.091 0.991 0.515 0.895 0.684 CB 1.474 20 residues pruned to eliminate duplicates Z: 12 20.312 2.215 0.563 0.769 0.909 0.727 CB 1.533 12 residues pruned to eliminate duplicates Z: 12 21.565 2.136 0.700 0.814 0.909 0.727 CB 1.499 12 residues pruned to eliminate duplicates Z: 106 45.365 2.091 0.657 0.523 0.876 0.600 CB 1.425 106 residues pruned to eliminate duplicates Z: 57 30.006 1.984 0.593 0.502 0.929 0.607 CB 1.363 94 residues pruned to eliminate duplicates Z: 62 43.448 2.150 0.793 0.553 0.902 0.656 CB 1.520 62 residues pruned to eliminate duplicates Z: 17 19.080 2.060 0.653 0.513 0.938 0.562 CA 1.474 17 residues pruned to eliminate duplicates Z: 7 8.049 1.898 0.571 0.533 0.833 0.667 CB 1.280 7 residues pruned to eliminate duplicates Z: 6 7.800 1.875 0.571 0.574 0.800 0.800 C 1.378 6 residues pruned to eliminate duplicates Z: 13 13.951 2.019 0.232 0.759 0.917 0.583 CB 1.403 13 residues pruned to eliminate duplicates Z: 16 10.343 1.879 0.597 0.365 0.800 0.467 CB 1.286 16 residues pruned to eliminate duplicates Z: 8 6.177 1.866 0.125 0.397 0.857 0.429 CA 1.446 9 residues pruned to eliminate duplicates Z: 10 12.492 1.862 0.769 0.632 0.778 0.667 CB 1.436 10 residues pruned to eliminate duplicates Z: 19 21.990 1.865 0.707 0.829 0.944 0.722 CB 1.298 19 residues pruned to eliminate duplicates Z: 25 37.692 2.138 0.891 0.817 0.958 0.625 CB 1.508 25 residues pruned to eliminate duplicates Z: 13 7.941 1.996 0.397 0.295 0.833 0.500 CB 1.241 13 residues pruned to eliminate duplicates Z: 36 17.634 1.944 0.388 0.447 0.771 0.400 CB 1.512 36 residues pruned to eliminate duplicates Z: 10 4.794 1.728 0.078 0.520 0.889 0.667 CB 0.946 Z: 22 18.527 1.997 0.575 0.414 0.952 0.667 CB 1.477 22 residues pruned to eliminate duplicates Z: 25 33.031 2.157 0.667 0.857 0.917 0.667 CB 1.508 25 residues pruned to eliminate duplicates Z: 10 8.333 1.769 0.322 0.492 0.889 0.667 CA 1.347 10 residues pruned to eliminate duplicates Z: 18 15.319 1.912 0.409 0.502 0.941 0.706 CB 1.463 Z: 9 8.738 1.670 0.866 0.593 0.750 0.750 C 1.209 9 residues pruned to eliminate duplicates Z: 14 23.710 2.049 0.795 0.848 1.000 0.692 CB 1.326 14 residues pruned to eliminate duplicates Z: 55 35.593 1.988 0.701 0.574 0.926 0.593 CB 1.440 55 residues pruned to eliminate duplicates Z: 17 16.112 1.911 0.771 0.476 0.812 0.562 CA 1.501 17 residues pruned to eliminate duplicates Z: 10 3.515 1.563 0.439 0.355 0.667 0.333 CB 0.913 10 residues pruned to eliminate duplicates Z: 7 10.514 1.927 0.612 0.639 1.000 0.833 CA 1.214 7 residues pruned to eliminate duplicates Z: 21 19.019 2.095 0.653 0.572 0.800 0.700 CA 1.432 21 residues pruned to eliminate duplicates Z: 10 7.620 1.613 0.299 0.739 1.000 0.444 CB 0.978 10 residues pruned to eliminate duplicates Z: 25 19.988 1.912 0.894 0.365 0.875 0.417 CA 1.489 25 residues pruned to eliminate duplicates Z: 34 34.499 2.057 0.901 0.681 0.848 0.515 CB 1.533 34 residues pruned to eliminate duplicates Z: 18 10.465 1.968 0.362 0.322 0.882 0.529 CB 1.306 18 residues pruned to eliminate duplicates Z: 14 8.155 1.898 0.375 0.362 0.769 0.615 CB 1.307 14 residues pruned to eliminate duplicates Z: 15 14.512 1.902 0.732 0.540 0.857 0.714 CB 1.320 15 residues pruned to eliminate duplicates Z: 14 18.281 2.132 0.312 0.846 0.923 0.769 CB 1.459 14 residues pruned to eliminate duplicates Z: 40 21.982 1.942 0.669 0.415 0.872 0.590 CB 1.362 58 residues pruned to eliminate duplicates Z: 12 16.971 2.050 0.732 0.622 0.909 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 43 43.724 2.202 0.730 0.661 0.952 0.786 CB 1.602 43 residues pruned to eliminate duplicates Z: 23 18.945 2.045 0.732 0.496 0.818 0.500 CB 1.399 23 residues pruned to eliminate duplicates Z: 6 2.162 1.530 -0.346 0.492 1.000 0.600 CB 0.973 Z: 7 3.482 1.437 0.385 0.573 0.833 0.333 CB 0.799 Z: 52 38.863 2.046 0.660 0.603 0.922 0.647 CB 1.576 52 residues pruned to eliminate duplicates Z: 12 14.916 1.840 0.558 0.694 0.909 0.727 C 1.446 12 residues pruned to eliminate duplicates Z: 12 8.515 1.952 0.513 0.468 0.818 0.545 CB 1.097 12 residues pruned to eliminate duplicates Z: 38 21.688 1.946 0.721 0.405 0.892 0.622 CB 1.319 10 residues pruned to eliminate duplicates Z: 10 15.271 2.022 0.189 0.913 1.000 1.000 CB 1.499 10 residues pruned to eliminate duplicates Z: 24 33.038 2.155 1.079 0.633 0.870 0.565 CB 1.560 24 residues pruned to eliminate duplicates Z: 29 15.692 1.940 0.764 0.299 0.786 0.464 CB 1.381 29 residues pruned to eliminate duplicates Z: 12 17.798 1.876 0.523 0.870 1.000 0.727 CB 1.371 12 residues pruned to eliminate duplicates Z: 8 13.558 2.212 0.009 0.855 1.000 0.714 CB 1.695 8 residues pruned to eliminate duplicates Z: 8 5.198 1.548 0.176 0.366 1.000 0.571 CB 1.246 8 residues pruned to eliminate duplicates Z: 7 3.469 1.174 0.188 0.856 1.000 1.000 CB 0.749 Z: 43 25.800 2.037 0.635 0.530 0.857 0.643 CB 1.354 43 residues pruned to eliminate duplicates Z: 17 27.401 1.912 0.820 0.897 1.000 0.812 CB 1.408 17 residues pruned to eliminate duplicates Z: 23 16.916 2.055 0.557 0.389 0.864 0.636 CA 1.467 23 residues pruned to eliminate duplicates Z: 26 27.616 2.103 1.003 0.486 0.880 0.480 CB 1.511 26 residues pruned to eliminate duplicates Z: 8 10.542 1.844 0.576 0.840 0.857 0.857 CB 1.193 8 residues pruned to eliminate duplicates Z: 73 52.007 2.071 0.800 0.663 0.944 0.681 CB 1.497 73 residues pruned to eliminate duplicates Z: 23 19.315 2.032 0.735 0.448 0.909 0.500 CB 1.356 23 residues pruned to eliminate duplicates Z: 31 29.422 2.139 0.743 0.570 0.900 0.600 CB 1.496 31 residues pruned to eliminate duplicates Z: 62 41.081 2.143 0.671 0.538 0.885 0.475 CA 1.599 62 residues pruned to eliminate duplicates Z: 8 10.523 1.856 0.299 0.757 1.000 0.714 CB 1.312 8 residues pruned to eliminate duplicates Z: 37 24.325 1.998 0.652 0.565 0.917 0.667 CB 1.259 37 residues pruned to eliminate duplicates Z: 9 11.403 1.627 0.856 0.700 1.000 0.500 CB 1.113 9 residues pruned to eliminate duplicates Z: 11 24.238 2.058 0.793 0.865 1.000 0.800 CA 1.521 11 residues pruned to eliminate duplicates Z: 13 12.309 1.837 0.520 0.530 1.000 0.667 CA 1.236 13 residues pruned to eliminate duplicates Z: 6 9.220 1.655 1.177 0.657 0.800 0.400 CB 1.237 6 residues pruned to eliminate duplicates Z: 25 33.668 2.099 1.157 0.607 0.875 0.667 CA 1.567 25 residues pruned to eliminate duplicates Z: 12 7.095 1.965 0.671 0.241 0.818 0.364 CB 1.074 12 residues pruned to eliminate duplicates Z: 22 20.964 2.152 0.509 0.413 1.000 0.571 CA 1.542 22 residues pruned to eliminate duplicates Z: 6 4.228 1.621 0.412 0.391 1.000 0.600 CA 0.927 6 residues pruned to eliminate duplicates Z: 77 45.573 2.148 0.714 0.543 0.908 0.592 CB 1.500 108 residues pruned to eliminate duplicates Z: 7 11.800 1.869 0.637 0.864 1.000 0.667 CB 1.155 7 residues pruned to eliminate duplicates Z: 39 36.150 2.151 0.727 0.684 0.868 0.632 CB 1.536 39 residues pruned to eliminate duplicates Z: 16 15.567 1.876 0.240 0.833 0.867 0.800 CA 1.496 16 residues pruned to eliminate duplicates Z: 29 17.217 2.077 0.429 0.431 0.929 0.500 CB 1.268 29 residues pruned to eliminate duplicates Z: 11 3.209 1.752 0.254 0.247 0.700 0.600 CB 0.883 11 residues pruned to eliminate duplicates Z: 6 2.811 1.778 -0.241 0.503 0.800 0.400 CB 1.161 6 residues pruned to eliminate duplicates Z: 9 9.540 2.008 0.325 0.385 1.000 0.625 CA 1.434 9 residues pruned to eliminate duplicates Z: 6 9.513 1.643 0.623 0.814 1.000 0.800 CB 1.214 6 residues pruned to eliminate duplicates Z: 21 10.883 1.907 0.449 0.287 0.800 0.550 CA 1.398 21 residues pruned to eliminate duplicates Z: 12 19.890 2.050 0.414 0.927 1.000 0.909 CA 1.450 Z: 19 24.019 1.985 0.762 0.820 0.944 0.500 CB 1.299 19 residues pruned to eliminate duplicates Z: 13 6.408 1.637 0.513 0.374 0.833 0.583 CB 1.025 13 residues pruned to eliminate duplicates Z: 6 4.784 1.524 0.781 0.442 0.800 0.600 C 1.046 6 residues pruned to eliminate duplicates Z: 90 47.253 2.120 0.656 0.564 0.910 0.607 CB 1.474 90 residues pruned to eliminate duplicates Z: 12 5.161 1.632 0.236 0.424 0.909 0.455 CB 0.918 Z: 16 12.037 1.925 0.618 0.314 0.867 0.600 CB 1.414 16 residues pruned to eliminate duplicates Z: 8 2.623 1.396 -0.163 0.439 0.857 0.429 CB 1.054 Z: 11 23.199 2.174 0.462 0.918 1.000 1.000 CA 1.628 11 residues pruned to eliminate duplicates Z: 12 8.376 1.653 0.754 0.467 0.727 0.545 CA 1.239 12 residues pruned to eliminate duplicates Z: 31 24.364 2.011 0.819 0.597 0.867 0.600 CB 1.279 31 residues pruned to eliminate duplicates Z: 17 27.815 1.919 0.899 0.864 1.000 0.625 CB 1.399 17 residues pruned to eliminate duplicates Z: 87 44.696 2.061 0.656 0.595 0.895 0.651 CB 1.440 87 residues pruned to eliminate duplicates Z: 9 10.266 2.005 0.974 0.397 0.750 0.375 CB 1.364 Z: 7 13.676 2.028 0.653 0.830 1.000 0.667 CB 1.252 7 residues pruned to eliminate duplicates Z: 25 14.217 1.929 0.670 0.301 0.792 0.417 CB 1.421 25 residues pruned to eliminate duplicates Z: 22 16.107 2.110 0.456 0.520 0.857 0.619 CB 1.309 22 residues pruned to eliminate duplicates Z: 33 27.019 1.986 0.651 0.613 0.969 0.750 CB 1.351 33 residues pruned to eliminate duplicates Z: 13 17.520 2.016 0.770 0.567 1.000 0.583 CB 1.329 9 residues pruned to eliminate duplicates Z: 21 25.728 2.155 0.771 0.562 1.000 0.700 CB 1.419 21 residues pruned to eliminate duplicates Z: 7 8.898 1.748 0.574 0.721 0.833 0.500 N 1.298 7 residues pruned to eliminate duplicates Z: 17 12.731 1.731 0.843 0.375 0.875 0.500 CB 1.303 17 residues pruned to eliminate duplicates Z: 6 2.506 1.358 0.062 0.482 0.800 0.400 N 0.990 Z: 12 16.918 2.046 0.559 0.567 1.000 0.636 CB 1.498 12 residues pruned to eliminate duplicates Z: 10 8.976 1.729 0.354 0.618 0.889 0.667 CA 1.286 10 residues pruned to eliminate duplicates Z: 19 18.532 1.958 0.328 0.810 1.000 0.667 CB 1.283 19 residues pruned to eliminate duplicates Z: 19 33.845 2.080 1.129 0.682 0.944 0.778 CA 1.614 19 residues pruned to eliminate duplicates Z: 8 6.639 1.612 0.590 0.698 1.000 0.286 CB 0.817 6 1.973 1.271 0.092 0.398 0.800 0.800 N 0.885 ? Z: 31 29.333 2.061 0.859 0.613 0.867 0.700 CB 1.449 31 residues pruned to eliminate duplicates Z: 39 22.171 1.981 0.589 0.540 0.842 0.579 CB 1.304 45 residues pruned to eliminate duplicates Z: 8 11.711 2.060 0.537 0.533 0.857 0.429 CA 1.579 8 residues pruned to eliminate duplicates Z: 36 38.310 2.201 0.936 0.634 0.914 0.800 CB 1.465 36 residues pruned to eliminate duplicates Z: 12 8.125 1.631 0.652 0.481 0.909 0.636 CB 1.020 12 residues pruned to eliminate duplicates Z: 26 15.051 1.842 0.529 0.545 0.880 0.680 CB 1.162 27 residues pruned to eliminate duplicates Z: 31 25.319 2.025 0.601 0.631 0.867 0.667 CB 1.455 31 residues pruned to eliminate duplicates Z: 89 47.131 2.071 0.636 0.604 0.932 0.682 CB 1.442 89 residues pruned to eliminate duplicates Z: 7 4.289 1.657 0.307 0.250 0.833 0.333 C 1.294 7 residues pruned to eliminate duplicates Z: 9 5.289 1.504 0.577 0.384 0.875 0.375 CB 1.020 9 residues pruned to eliminate duplicates Z: 15 14.337 1.990 0.740 0.481 0.857 0.500 CA 1.316 15 residues pruned to eliminate duplicates Z: 49 41.046 2.161 0.902 0.544 0.875 0.625 CB 1.578 49 residues pruned to eliminate duplicates Z: 10 8.036 1.756 0.535 0.554 0.889 0.556 CA 1.061 7 residues pruned to eliminate duplicates Z: 19 22.474 1.901 0.687 0.721 1.000 0.556 CA 1.353 19 residues pruned to eliminate duplicates Z: 7 2.941 1.367 0.286 0.367 0.667 0.333 O 1.182 7 residues pruned to eliminate duplicates Z: 24 35.698 2.154 1.266 0.651 0.870 0.739 CB 1.523 24 residues pruned to eliminate duplicates Z: 7 13.011 2.029 0.147 0.854 1.000 0.833 CB 1.686 7 residues pruned to eliminate duplicates Z: 13 15.633 1.999 0.765 0.486 0.917 0.500 CA 1.415 13 residues pruned to eliminate duplicates Z: 29 15.098 2.021 0.363 0.431 0.857 0.536 CB 1.298 29 residues pruned to eliminate duplicates Z: 25 21.142 2.009 0.766 0.436 0.875 0.542 CB 1.485 25 residues pruned to eliminate duplicates Z: 15 16.144 1.803 0.639 0.761 0.857 0.500 CB 1.351 15 residues pruned to eliminate duplicates Z: 19 12.596 1.865 0.553 0.374 0.889 0.556 CB 1.320 19 residues pruned to eliminate duplicates Z: 40 42.054 2.190 0.823 0.650 0.897 0.769 CB 1.635 40 residues pruned to eliminate duplicates Z: 13 16.049 2.177 0.528 0.569 0.917 0.833 CB 1.421 13 residues pruned to eliminate duplicates Z: 15 16.257 1.996 0.172 0.880 1.000 0.786 CB 1.346 15 residues pruned to eliminate duplicates Z: 57 42.510 2.045 0.765 0.640 0.911 0.732 CB 1.515 57 residues pruned to eliminate duplicates Z: 8 2.517 1.064 0.939 0.481 0.857 0.286 C 0.549 6 1.508 1.229 0.537 0.402 0.600 0.600 CA 0.660 ? Z: 20 25.788 2.096 0.954 0.540 0.947 0.579 CB 1.466 20 residues pruned to eliminate duplicates Z: 25 14.210 1.779 0.652 0.488 0.833 0.708 CB 1.199 24 residues pruned to eliminate duplicates Z: 19 22.278 1.886 0.749 0.815 0.944 0.722 CB 1.281 19 residues pruned to eliminate duplicates Z: 43 36.843 2.191 0.766 0.522 0.929 0.595 CB 1.549 43 residues pruned to eliminate duplicates Z: 14 8.788 1.944 0.370 0.342 0.846 0.615 CB 1.285 14 residues pruned to eliminate duplicates Z: 14 39.272 2.136 1.367 0.911 0.923 0.692 CB 1.654 14 residues pruned to eliminate duplicates Z: 12 12.651 1.887 0.675 0.595 0.909 0.636 CA 1.212 12 residues pruned to eliminate duplicates Z: 20 25.511 2.228 0.621 0.488 1.000 0.579 CA 1.640 20 residues pruned to eliminate duplicates Z: 13 13.990 1.951 0.753 0.518 0.917 0.583 CB 1.265 13 residues pruned to eliminate duplicates Z: 21 18.436 1.910 0.587 0.764 0.850 0.600 CB 1.266 21 residues pruned to eliminate duplicates Z: 17 14.836 1.870 0.123 0.840 0.938 0.750 CB 1.407 17 residues pruned to eliminate duplicates Z: 10 12.870 1.841 0.461 0.633 1.000 0.667 CA 1.407 9 residues pruned to eliminate duplicates Z: 20 15.644 1.877 0.794 0.394 0.895 0.684 CB 1.333 20 residues pruned to eliminate duplicates Z: 14 18.987 2.125 0.586 0.839 1.000 0.692 CB 1.166 14 residues pruned to eliminate duplicates Z: 28 25.773 2.105 0.696 0.620 0.889 0.667 CB 1.397 26 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 8.398 1.816 0.262 0.538 0.900 0.800 CB 1.240 11 residues pruned to eliminate duplicates Z: 12 7.293 1.663 0.367 0.378 0.909 0.545 CB 1.211 12 residues pruned to eliminate duplicates Z: 10 6.706 1.885 0.181 0.457 0.889 0.667 CB 1.181 10 residues pruned to eliminate duplicates Z: 11 8.786 1.900 0.342 0.454 0.900 0.600 CB 1.270 11 residues pruned to eliminate duplicates Z: 21 7.943 1.724 0.346 0.295 0.750 0.500 CB 1.284 21 residues pruned to eliminate duplicates Z: 37 24.068 2.033 0.530 0.462 0.972 0.611 CB 1.378 38 residues pruned to eliminate duplicates Z: 6 4.743 1.501 0.730 0.448 1.000 0.800 CB 0.861 Z: 25 23.728 2.142 0.529 0.491 1.000 0.667 CB 1.493 31 residues pruned to eliminate duplicates Z: 6 4.328 1.593 0.640 0.100 1.000 0.400 C 1.235 6 residues pruned to eliminate duplicates Z: 26 17.286 1.945 0.604 0.387 0.920 0.680 CB 1.358 26 residues pruned to eliminate duplicates Z: 24 21.346 2.102 0.662 0.417 0.913 0.696 CA 1.521 24 residues pruned to eliminate duplicates Z: 27 20.549 2.041 0.672 0.414 0.962 0.769 CB 1.343 26 residues pruned to eliminate duplicates Z: 8 10.829 1.706 0.582 0.591 1.000 1.000 CA 1.390 8 residues pruned to eliminate duplicates Z: 30 20.799 1.949 0.703 0.432 0.931 0.552 CB 1.341 30 residues pruned to eliminate duplicates Z: 25 21.826 2.141 0.572 0.451 0.958 0.708 CB 1.453 26 residues pruned to eliminate duplicates Z: 7 8.003 2.057 0.384 0.527 0.833 0.500 CA 1.342 7 residues pruned to eliminate duplicates Z: 14 12.649 2.077 0.665 0.429 0.769 0.615 CB 1.420 14 residues pruned to eliminate duplicates Z: 35 23.182 2.031 0.663 0.465 0.912 0.618 CB 1.338 35 residues pruned to eliminate duplicates Z: 8 9.391 2.079 0.746 0.563 0.857 0.714 CB 1.074 8 residues pruned to eliminate duplicates Z: 26 20.244 2.090 0.546 0.447 1.000 0.600 CB 1.324 26 residues pruned to eliminate duplicates Z: 27 21.269 2.068 0.680 0.476 0.923 0.654 CB 1.332 27 residues pruned to eliminate duplicates Z: 27 20.054 2.034 0.578 0.495 0.962 0.615 CB 1.281 26 residues pruned to eliminate duplicates Z: 10 16.317 1.944 0.586 0.795 1.000 0.444 CB 1.363 10 residues pruned to eliminate duplicates Z: 50 39.216 2.109 0.953 0.588 0.857 0.571 CB 1.458 50 residues pruned to eliminate duplicates Z: 14 16.115 1.972 0.603 0.624 1.000 0.615 CB 1.258 11 residues pruned to eliminate duplicates Z: 31 17.150 1.945 0.511 0.434 0.867 0.367 CB 1.316 35 residues pruned to eliminate duplicates Z: 11 15.900 1.905 0.551 0.847 1.000 0.500 CB 1.264 11 residues pruned to eliminate duplicates Z: 14 16.947 1.994 0.694 0.565 1.000 0.692 CB 1.306 16 residues pruned to eliminate duplicates Z: 11 20.498 1.980 0.744 0.837 1.000 0.600 CB 1.405 11 residues pruned to eliminate duplicates Z: 27 21.639 2.101 0.521 0.450 0.923 0.615 CB 1.514 27 residues pruned to eliminate duplicates Z: 15 19.038 1.929 0.796 0.619 1.000 0.643 CB 1.312 15 residues pruned to eliminate duplicates Z: 16 13.123 1.834 0.743 0.552 0.933 0.333 CB 1.079 16 residues pruned to eliminate duplicates Z: 19 15.732 1.707 0.688 0.643 0.944 0.500 CA 1.191 14 residues pruned to eliminate duplicates Z: 7 7.364 1.627 0.694 0.423 1.000 0.667 CA 1.181 7 residues pruned to eliminate duplicates Z: 25 24.926 2.283 0.480 0.526 0.917 0.625 CB 1.602 25 residues pruned to eliminate duplicates Z: 28 20.367 2.163 0.414 0.500 0.889 0.556 CB 1.441 28 residues pruned to eliminate duplicates Z: 16 13.569 2.070 0.582 0.339 0.867 0.467 CB 1.472 16 residues pruned to eliminate duplicates Z: 28 20.010 1.965 0.632 0.491 0.889 0.481 CB 1.363 28 residues pruned to eliminate duplicates Z: 16 14.563 2.116 0.517 0.385 0.867 0.667 CB 1.526 16 residues pruned to eliminate duplicates Z: 16 12.640 2.149 0.495 0.329 0.800 0.400 CB 1.532 16 residues pruned to eliminate duplicates Z: 10 10.012 1.958 0.471 0.363 0.889 0.667 CA 1.512 10 residues pruned to eliminate duplicates Z: 18 10.917 2.085 0.350 0.384 0.765 0.588 CB 1.392 18 residues pruned to eliminate duplicates Z: 10 6.194 2.099 0.091 0.213 0.778 0.444 CB 1.626 10 residues pruned to eliminate duplicates Z: 9 7.540 2.080 0.279 0.245 0.875 0.625 CB 1.538 9 residues pruned to eliminate duplicates Z: 26 19.828 2.212 0.343 0.490 0.880 0.600 CB 1.533 26 residues pruned to eliminate duplicates Z: 37 39.042 2.224 0.828 0.582 0.889 0.639 CA 1.664 37 residues pruned to eliminate duplicates Z: 98 43.616 2.093 0.556 0.572 0.918 0.608 CB 1.382 98 residues pruned to eliminate duplicates Z: 60 33.055 2.144 0.507 0.553 0.898 0.627 CB 1.408 60 residues pruned to eliminate duplicates Z: 14 20.393 2.235 0.507 0.632 0.923 0.769 CB 1.607 14 residues pruned to eliminate duplicates Z: 28 20.848 2.162 0.326 0.544 0.926 0.630 CB 1.448 28 residues pruned to eliminate duplicates Z: 14 15.446 2.184 0.395 0.632 0.923 0.769 CB 1.346 14 residues pruned to eliminate duplicates Z: 15 21.824 2.141 0.432 0.728 1.000 0.643 CB 1.549 15 residues pruned to eliminate duplicates Z: 15 16.535 2.144 0.313 0.660 1.000 0.643 CB 1.353 15 residues pruned to eliminate duplicates Z: 60 41.752 2.140 0.740 0.568 0.915 0.661 CB 1.492 60 residues pruned to eliminate duplicates Z: 21 17.054 2.198 0.255 0.497 0.850 0.600 CA 1.631 21 residues pruned to eliminate duplicates Z: 38 34.664 2.185 0.724 0.555 0.865 0.676 CB 1.658 38 residues pruned to eliminate duplicates Z: 52 35.159 2.104 0.732 0.547 0.902 0.647 CB 1.431 52 residues pruned to eliminate duplicates Z: 32 33.083 2.117 0.937 0.614 0.871 0.645 CB 1.494 32 residues pruned to eliminate duplicates Z: 51 43.027 2.219 0.710 0.588 0.900 0.720 CB 1.638 51 residues pruned to eliminate duplicates Z: 45 32.708 2.123 0.632 0.568 0.886 0.636 CB 1.503 45 residues pruned to eliminate duplicates Z: 45 44.185 2.233 0.847 0.626 0.909 0.636 CB 1.578 45 residues pruned to eliminate duplicates Z: 33 34.665 2.135 0.888 0.615 0.844 0.594 CB 1.615 33 residues pruned to eliminate duplicates Z: 133 52.749 2.103 0.630 0.571 0.871 0.636 CB 1.436 133 residues pruned to eliminate duplicates Z: 30 38.071 2.133 1.121 0.584 0.931 0.586 CB 1.549 30 residues pruned to eliminate duplicates Z: 42 48.912 2.257 0.848 0.687 0.951 0.756 CB 1.622 42 residues pruned to eliminate duplicates Z: 44 44.521 2.212 0.830 0.655 0.930 0.674 CB 1.561 44 residues pruned to eliminate duplicates Z: 61 41.800 2.160 0.753 0.564 0.900 0.617 CB 1.488 61 residues pruned to eliminate duplicates Z: 44 45.435 2.212 0.896 0.635 0.907 0.698 CB 1.605 44 residues pruned to eliminate duplicates Z: 47 37.615 2.090 0.810 0.559 0.891 0.652 CB 1.553 47 residues pruned to eliminate duplicates Z: 34 31.710 2.174 0.936 0.575 0.788 0.606 CB 1.548 34 residues pruned to eliminate duplicates Z: 8 17.099 1.987 1.203 0.756 0.857 0.857 CA 1.372 8 residues pruned to eliminate duplicates Z: 60 48.337 2.178 0.813 0.584 0.932 0.661 CB 1.577 60 residues pruned to eliminate duplicates Z: 60 39.427 2.113 0.795 0.550 0.881 0.644 CB 1.463 60 residues pruned to eliminate duplicates Z: 60 42.750 2.167 0.773 0.538 0.915 0.712 CB 1.525 60 residues pruned to eliminate duplicates Z: 61 41.945 2.159 0.765 0.555 0.900 0.683 CB 1.496 61 residues pruned to eliminate duplicates Z: 59 48.440 2.198 0.844 0.569 0.931 0.638 CB 1.576 59 residues pruned to eliminate duplicates Z: 32 24.165 2.085 0.550 0.474 0.935 0.548 CB 1.474 32 residues pruned to eliminate duplicates Z: 38 28.045 2.042 0.663 0.464 0.919 0.459 CB 1.534 38 residues pruned to eliminate duplicates Z: 60 43.752 2.168 0.832 0.559 0.915 0.644 CB 1.480 60 residues pruned to eliminate duplicates Z: 66 41.693 2.112 0.739 0.537 0.892 0.662 CB 1.522 66 residues pruned to eliminate duplicates Z: 58 46.572 2.181 0.765 0.598 0.947 0.649 CB 1.541 58 residues pruned to eliminate duplicates Z: 72 46.184 2.143 0.759 0.561 0.901 0.620 CB 1.521 72 residues pruned to eliminate duplicates Z: 60 42.618 2.140 0.698 0.562 0.932 0.559 CB 1.542 60 residues pruned to eliminate duplicates Z: 61 43.684 2.140 0.852 0.550 0.917 0.717 CB 1.479 61 residues pruned to eliminate duplicates Z: 59 41.952 2.150 0.784 0.579 0.897 0.655 CB 1.485 59 residues pruned to eliminate duplicates Z: 38 28.837 2.123 0.713 0.523 0.865 0.595 CB 1.474 38 residues pruned to eliminate duplicates Z: 49 45.239 2.174 0.862 0.624 0.896 0.750 CB 1.602 49 residues pruned to eliminate duplicates Z: 71 46.048 2.192 0.766 0.511 0.914 0.643 CB 1.539 71 residues pruned to eliminate duplicates Z: 31 24.313 2.064 0.572 0.501 0.900 0.467 CB 1.519 31 residues pruned to eliminate duplicates Z: 61 41.420 2.138 0.734 0.553 0.900 0.683 CB 1.522 61 residues pruned to eliminate duplicates Z: 61 43.789 2.138 0.872 0.549 0.867 0.717 CB 1.553 61 residues pruned to eliminate duplicates Z: 43 32.170 2.079 0.804 0.496 0.881 0.571 CB 1.509 43 residues pruned to eliminate duplicates Z: 38 31.529 2.103 0.749 0.511 0.892 0.541 CB 1.562 38 residues pruned to eliminate duplicates Z: 73 45.564 2.184 0.722 0.530 0.903 0.611 CB 1.535 73 residues pruned to eliminate duplicates Z: 67 42.256 2.176 0.692 0.516 0.879 0.561 CB 1.583 67 residues pruned to eliminate duplicates Z: 67 38.372 2.058 0.764 0.525 0.924 0.621 CB 1.374 67 residues pruned to eliminate duplicates Z: 19 13.967 1.924 0.610 0.418 0.833 0.333 CA 1.390 19 residues pruned to eliminate duplicates Z: 67 42.092 2.178 0.688 0.529 0.909 0.682 CB 1.507 67 residues pruned to eliminate duplicates Z: 62 42.988 2.144 0.834 0.547 0.902 0.590 CB 1.482 62 residues pruned to eliminate duplicates Z: 73 46.091 2.175 0.759 0.529 0.889 0.681 CB 1.551 73 residues pruned to eliminate duplicates Z: 12 6.829 1.770 0.700 0.285 0.727 0.182 CB 1.198 12 residues pruned to eliminate duplicates Z: 10 9.436 1.806 0.683 0.416 0.889 0.556 CA 1.270 10 residues pruned to eliminate duplicates Z: 121 52.689 2.076 0.789 0.534 0.883 0.617 CB 1.418 133 residues pruned to eliminate duplicates Z: 71 41.624 2.155 0.738 0.523 0.900 0.629 CB 1.443 71 residues pruned to eliminate duplicates Z: 88 46.000 2.068 0.695 0.568 0.920 0.586 CB 1.432 88 residues pruned to eliminate duplicates Z: 13 7.526 2.004 0.265 0.346 0.833 0.500 CB 1.215 13 residues pruned to eliminate duplicates Z: 11 7.466 2.119 0.418 0.366 0.800 0.500 CB 1.135 11 residues pruned to eliminate duplicates Z: 74 37.129 2.006 0.569 0.530 0.945 0.534 CB 1.418 74 residues pruned to eliminate duplicates Z: 59 34.331 2.057 0.663 0.538 0.931 0.500 CB 1.363 59 residues pruned to eliminate duplicates Z: 48 38.232 2.124 0.707 0.563 0.957 0.617 CB 1.511 48 residues pruned to eliminate duplicates Z: 13 6.850 2.101 0.103 0.338 0.750 0.417 CB 1.357 13 residues pruned to eliminate duplicates Z: 44 35.201 2.099 0.740 0.599 0.930 0.698 CB 1.437 44 residues pruned to eliminate duplicates Z: 41 37.013 2.166 0.781 0.585 0.925 0.575 CB 1.512 41 residues pruned to eliminate duplicates Z: 63 38.011 2.104 0.588 0.584 0.903 0.677 CB 1.475 63 residues pruned to eliminate duplicates Z: 66 47.001 2.123 0.717 0.649 0.938 0.692 CB 1.484 66 residues pruned to eliminate duplicates Z: 102 49.353 2.097 0.622 0.606 0.911 0.624 CB 1.433 102 residues pruned to eliminate duplicates Z: 86 48.268 2.071 0.693 0.623 0.965 0.671 CB 1.379 86 residues pruned to eliminate duplicates Z: 35 39.027 2.118 0.980 0.634 0.971 0.676 CB 1.450 35 residues pruned to eliminate duplicates Z: 98 44.989 2.079 0.627 0.518 0.918 0.557 CB 1.445 98 residues pruned to eliminate duplicates Z: 53 44.219 2.110 0.747 0.644 0.981 0.673 CB 1.482 53 residues pruned to eliminate duplicates Z: 88 48.877 2.084 0.721 0.605 0.908 0.667 CB 1.456 88 residues pruned to eliminate duplicates Z: 65 43.984 2.126 0.729 0.615 0.891 0.594 CB 1.507 65 residues pruned to eliminate duplicates Z: 90 48.846 2.099 0.704 0.558 0.944 0.629 CB 1.450 90 residues pruned to eliminate duplicates Z: 62 38.284 2.111 0.640 0.548 0.902 0.639 CB 1.499 62 residues pruned to eliminate duplicates Z: 89 48.328 2.095 0.675 0.577 0.920 0.568 CB 1.481 89 residues pruned to eliminate duplicates Z: 28 34.937 2.073 0.961 0.702 0.926 0.519 CA 1.486 28 residues pruned to eliminate duplicates Z: 78 47.578 2.109 0.660 0.600 0.935 0.597 CB 1.505 78 residues pruned to eliminate duplicates Z: 111 57.202 2.102 0.772 0.564 0.909 0.618 CB 1.513 111 residues pruned to eliminate duplicates Z: 89 44.171 2.076 0.713 0.565 0.864 0.545 CB 1.439 89 residues pruned to eliminate duplicates Z: 53 40.398 2.090 0.698 0.632 0.942 0.635 CB 1.479 53 residues pruned to eliminate duplicates Z: 52 41.986 2.098 0.778 0.645 0.922 0.706 CB 1.494 52 residues pruned to eliminate duplicates Z: 96 50.546 2.116 0.757 0.548 0.905 0.642 CB 1.471 96 residues pruned to eliminate duplicates Z: 57 42.947 2.067 0.762 0.618 0.929 0.643 CB 1.518 57 residues pruned to eliminate duplicates Z: 82 43.386 2.052 0.666 0.596 0.901 0.654 CB 1.427 82 residues pruned to eliminate duplicates Z: 39 34.892 2.088 0.750 0.620 0.974 0.605 CB 1.421 39 residues pruned to eliminate duplicates Z: 92 44.001 2.084 0.593 0.576 0.890 0.637 CB 1.450 92 residues pruned to eliminate duplicates Z: 84 44.167 2.079 0.626 0.609 0.916 0.639 CB 1.412 84 residues pruned to eliminate duplicates Z: 89 41.922 2.080 0.616 0.587 0.875 0.602 CB 1.399 89 residues pruned to eliminate duplicates Z: 55 40.405 2.139 0.676 0.611 0.926 0.611 CB 1.492 55 residues pruned to eliminate duplicates Z: 51 37.933 2.094 0.689 0.582 0.920 0.600 CB 1.523 51 residues pruned to eliminate duplicates Z: 55 39.401 2.017 0.678 0.580 0.981 0.648 CB 1.494 55 residues pruned to eliminate duplicates Z: 156 63.959 2.141 0.702 0.562 0.903 0.568 CB 1.469 156 residues pruned to eliminate duplicates Z: 57 38.347 2.103 0.634 0.594 0.911 0.661 CB 1.497 57 residues pruned to eliminate duplicates Z: 55 39.977 2.095 0.631 0.599 0.963 0.574 CB 1.504 55 residues pruned to eliminate duplicates Z: 65 40.695 2.082 0.662 0.571 0.938 0.562 CB 1.464 65 residues pruned to eliminate duplicates Z: 77 40.956 2.038 0.645 0.574 0.934 0.671 CB 1.396 77 residues pruned to eliminate duplicates Z: 103 44.714 2.093 0.568 0.556 0.912 0.608 CB 1.401 103 residues pruned to eliminate duplicates Z: 81 46.007 2.097 0.664 0.605 0.913 0.700 CB 1.461 81 residues pruned to eliminate duplicates Z: 163 68.971 2.162 0.685 0.558 0.932 0.605 CB 1.508 164 residues pruned to eliminate duplicates Z: 8 3.875 1.646 0.403 0.433 0.714 0.571 CA 0.952 8 residues pruned to eliminate duplicates Z: 74 47.449 2.100 0.655 0.636 0.959 0.699 CB 1.467 74 residues pruned to eliminate duplicates Z: 67 46.417 2.099 0.688 0.654 0.939 0.667 CB 1.488 67 residues pruned to eliminate duplicates Z: 107 45.228 2.112 0.603 0.528 0.915 0.557 CB 1.379 107 residues pruned to eliminate duplicates Z: 26 15.951 1.911 0.440 0.493 0.840 0.560 CB 1.391 26 residues pruned to eliminate duplicates Z: 90 48.103 2.115 0.674 0.592 0.910 0.640 CB 1.449 90 residues pruned to eliminate duplicates Z: 110 46.556 2.100 0.658 0.521 0.908 0.532 CB 1.382 110 residues pruned to eliminate duplicates Z: 62 38.326 2.120 0.626 0.556 0.918 0.639 CB 1.468 62 residues pruned to eliminate duplicates Z: 98 51.801 2.116 0.702 0.548 0.948 0.577 CB 1.469 98 residues pruned to eliminate duplicates Z: 102 48.673 2.081 0.657 0.560 0.931 0.584 CB 1.423 102 residues pruned to eliminate duplicates Z: 100 44.662 2.073 0.587 0.545 0.899 0.556 CB 1.453 100 residues pruned to eliminate duplicates Z: 66 43.651 2.101 0.703 0.603 0.923 0.615 CB 1.487 66 residues pruned to eliminate duplicates Z: 46 24.635 2.057 0.561 0.514 0.844 0.556 CB 1.335 46 residues pruned to eliminate duplicates Z: 38 24.178 2.035 0.488 0.513 0.946 0.568 CB 1.370 38 residues pruned to eliminate duplicates Z: 116 49.778 2.128 0.601 0.544 0.922 0.574 CB 1.416 116 residues pruned to eliminate duplicates Z: 37 22.122 2.007 0.514 0.544 0.833 0.611 CB 1.395 37 residues pruned to eliminate duplicates Z: 23 21.065 2.045 0.457 0.637 1.000 0.636 CB 1.326 23 residues pruned to eliminate duplicates Z: 23 22.347 1.977 0.613 0.661 0.955 0.636 CB 1.348 23 residues pruned to eliminate duplicates Z: 25 17.896 1.926 0.575 0.620 0.833 0.667 CB 1.291 25 residues pruned to eliminate duplicates Z: 38 26.825 2.006 0.715 0.536 0.892 0.568 CB 1.386 38 residues pruned to eliminate duplicates Z: 45 24.705 2.064 0.575 0.451 0.864 0.500 CB 1.395 45 residues pruned to eliminate duplicates Z: 39 27.094 2.097 0.572 0.554 0.921 0.632 CB 1.373 39 residues pruned to eliminate duplicates Z: 62 31.191 2.085 0.610 0.518 0.852 0.525 CB 1.371 62 residues pruned to eliminate duplicates Z: 114 49.968 2.090 0.642 0.553 0.912 0.566 CB 1.427 114 residues pruned to eliminate duplicates Z: 89 47.309 2.075 0.647 0.588 0.932 0.693 CB 1.455 89 residues pruned to eliminate duplicates Z: 54 30.221 2.080 0.608 0.490 0.906 0.585 CB 1.384 54 residues pruned to eliminate duplicates Z: 89 49.035 2.087 0.680 0.603 0.920 0.636 CB 1.468 89 residues pruned to eliminate duplicates Z: 35 27.583 2.093 0.619 0.576 0.912 0.588 CB 1.424 35 residues pruned to eliminate duplicates Z: 33 23.042 1.965 0.673 0.572 0.875 0.562 CB 1.321 33 residues pruned to eliminate duplicates Z: 21 13.819 1.830 0.520 0.514 0.900 0.500 CB 1.217 21 residues pruned to eliminate duplicates Z: 46 23.728 1.991 0.604 0.405 0.867 0.444 CB 1.412 46 residues pruned to eliminate duplicates Z: 40 22.069 1.942 0.574 0.551 0.846 0.615 CB 1.299 40 residues pruned to eliminate duplicates Z: 45 22.948 1.990 0.531 0.484 0.909 0.545 CB 1.269 45 residues pruned to eliminate duplicates Z: 24 11.385 1.913 0.298 0.468 0.826 0.609 CB 1.195 24 residues pruned to eliminate duplicates Z: 16 8.959 1.940 0.310 0.346 0.800 0.533 CB 1.345 16 residues pruned to eliminate duplicates Z: 90 46.954 2.146 0.722 0.568 0.854 0.618 CB 1.477 90 residues pruned to eliminate duplicates Z: 36 25.664 2.056 0.551 0.550 0.943 0.657 CB 1.374 36 residues pruned to eliminate duplicates Z: 36 26.159 2.043 0.675 0.573 0.886 0.629 CB 1.360 36 residues pruned to eliminate duplicates Z: 38 22.501 1.993 0.583 0.530 0.892 0.622 CB 1.276 38 residues pruned to eliminate duplicates Z: 107 45.369 2.091 0.675 0.505 0.887 0.528 CB 1.411 107 residues pruned to eliminate duplicates Z: 87 48.687 2.113 0.661 0.599 0.930 0.674 CB 1.463 87 residues pruned to eliminate duplicates Z: 16 10.446 1.914 0.592 0.393 0.800 0.467 CB 1.238 16 residues pruned to eliminate duplicates Z: 9 4.332 1.747 0.253 0.156 0.750 0.625 CB 1.423 9 residues pruned to eliminate duplicates Z: 43 26.740 2.013 0.596 0.515 0.929 0.643 CB 1.364 43 residues pruned to eliminate duplicates Z: 11 5.907 1.899 0.338 0.347 0.900 0.500 CB 0.964 11 residues pruned to eliminate duplicates Z: 67 30.807 2.066 0.530 0.490 0.894 0.439 CB 1.355 67 residues pruned to eliminate duplicates Z: 28 15.299 1.976 0.574 0.334 0.852 0.370 CB 1.333 28 residues pruned to eliminate duplicates Z: 44 25.095 1.980 0.783 0.463 0.837 0.442 CB 1.344 44 residues pruned to eliminate duplicates Z: 74 41.261 2.183 0.705 0.465 0.890 0.507 CB 1.509 74 residues pruned to eliminate duplicates Z: 12 10.767 2.037 0.870 0.337 0.909 0.455 CB 1.121 12 residues pruned to eliminate duplicates Z: 13 7.577 1.686 0.631 0.206 0.917 0.167 CB 1.229 13 residues pruned to eliminate duplicates Z: 44 25.537 2.021 0.598 0.446 0.907 0.512 CB 1.405 44 residues pruned to eliminate duplicates Z: 58 38.570 2.184 0.771 0.540 0.877 0.509 CB 1.448 58 residues pruned to eliminate duplicates Z: 77 42.042 2.145 0.819 0.477 0.895 0.434 CB 1.413 77 residues pruned to eliminate duplicates Z: 48 26.727 2.071 0.645 0.484 0.851 0.511 CB 1.367 48 residues pruned to eliminate duplicates Z: 80 40.241 2.168 0.576 0.494 0.911 0.506 CB 1.462 80 residues pruned to eliminate duplicates Z: 110 46.008 2.081 0.598 0.512 0.917 0.532 CB 1.427 110 residues pruned to eliminate duplicates Z: 31 23.863 2.186 0.571 0.524 0.833 0.467 CB 1.487 31 residues pruned to eliminate duplicates Z: 70 42.020 2.174 0.646 0.533 0.913 0.522 CB 1.499 70 residues pruned to eliminate duplicates Z: 43 39.813 2.190 0.722 0.651 0.929 0.571 CB 1.524 43 residues pruned to eliminate duplicates Z: 22 19.228 2.108 0.449 0.672 0.857 0.667 CB 1.367 22 residues pruned to eliminate duplicates Z: 21 27.437 2.061 0.752 0.705 0.900 0.550 CB 1.566 21 residues pruned to eliminate duplicates Z: 67 42.819 2.142 0.731 0.558 0.879 0.545 CB 1.529 67 residues pruned to eliminate duplicates Z: 21 21.341 2.094 0.497 0.687 0.850 0.600 CB 1.509 21 residues pruned to eliminate duplicates Z: 66 37.249 2.161 0.651 0.491 0.862 0.446 CB 1.517 66 residues pruned to eliminate duplicates Z: 18 26.031 2.167 0.543 0.692 1.000 0.765 CA 1.584 18 residues pruned to eliminate duplicates Z: 67 46.429 2.122 0.659 0.611 0.939 0.667 CB 1.555 67 residues pruned to eliminate duplicates Z: 32 26.509 2.040 0.693 0.619 0.903 0.581 CB 1.364 32 residues pruned to eliminate duplicates Z: 43 40.784 2.198 0.846 0.649 0.881 0.595 CB 1.532 43 residues pruned to eliminate duplicates Z: 32 23.755 2.054 0.685 0.494 0.935 0.452 CB 1.325 32 residues pruned to eliminate duplicates Z: 68 44.961 2.130 0.736 0.536 0.925 0.537 CA 1.551 68 residues pruned to eliminate duplicates Z: 50 42.457 2.142 0.870 0.614 0.898 0.551 CB 1.514 50 residues pruned to eliminate duplicates Z: 21 24.028 2.049 0.695 0.709 0.850 0.650 CB 1.506 21 residues pruned to eliminate duplicates Z: 66 51.809 2.177 0.912 0.570 0.938 0.569 CB 1.537 66 residues pruned to eliminate duplicates Z: 79 48.127 2.204 0.815 0.527 0.885 0.513 CB 1.499 79 residues pruned to eliminate duplicates Z: 43 43.893 2.172 0.926 0.669 0.881 0.571 CB 1.572 43 residues pruned to eliminate duplicates Z: 47 38.638 2.162 0.887 0.609 0.848 0.457 CB 1.485 47 residues pruned to eliminate duplicates Z: 85 51.144 2.220 0.830 0.522 0.893 0.512 CB 1.506 85 residues pruned to eliminate duplicates Z: 65 45.606 2.188 0.839 0.566 0.875 0.531 CB 1.518 65 residues pruned to eliminate duplicates Z: 16 34.145 2.098 1.297 0.693 1.000 0.533 CB 1.534 24 residues pruned to eliminate duplicates Z: 42 52.139 2.182 1.118 0.683 0.927 0.561 CB 1.607 42 residues pruned to eliminate duplicates Z: 46 40.509 2.194 0.815 0.512 0.933 0.533 CB 1.606 46 residues pruned to eliminate duplicates Z: 47 42.522 2.172 0.910 0.522 0.935 0.565 CB 1.582 47 residues pruned to eliminate duplicates Z: 28 33.555 2.189 1.070 0.570 0.852 0.481 CB 1.563 28 residues pruned to eliminate duplicates Z: 23 33.261 2.232 1.166 0.624 0.864 0.500 CB 1.510 23 residues pruned to eliminate duplicates Z: 42 42.501 2.139 1.006 0.616 0.902 0.537 CB 1.537 42 residues pruned to eliminate duplicates Z: 24 33.104 2.133 1.231 0.616 0.826 0.478 CB 1.573 24 residues pruned to eliminate duplicates Z: 46 40.330 2.238 0.833 0.504 0.911 0.556 CB 1.602 46 residues pruned to eliminate duplicates Z: 47 36.668 2.227 0.742 0.493 0.891 0.500 CB 1.575 47 residues pruned to eliminate duplicates Z: 45 39.816 2.250 0.809 0.521 0.909 0.591 CB 1.588 45 residues pruned to eliminate duplicates Z: 67 50.719 2.156 0.836 0.574 0.955 0.591 CB 1.538 66 residues pruned to eliminate duplicates Z: 16 30.905 2.243 1.294 0.723 0.800 0.600 CB 1.585 16 residues pruned to eliminate duplicates Z: 43 39.313 2.107 1.011 0.617 0.857 0.548 CB 1.495 43 residues pruned to eliminate duplicates Z: 48 41.143 2.151 0.886 0.499 0.915 0.553 CB 1.618 48 residues pruned to eliminate duplicates Z: 65 52.001 2.180 0.840 0.586 0.953 0.578 CB 1.566 65 residues pruned to eliminate duplicates Z: 42 47.925 2.188 0.979 0.697 0.951 0.683 CB 1.519 42 residues pruned to eliminate duplicates Z: 46 43.075 2.211 0.925 0.530 0.911 0.578 CB 1.607 46 residues pruned to eliminate duplicates Z: 45 44.545 2.240 0.906 0.537 0.932 0.568 CB 1.627 45 residues pruned to eliminate duplicates Z: 45 44.867 2.235 0.843 0.540 0.955 0.614 CB 1.653 45 residues pruned to eliminate duplicates Z: 28 23.801 2.198 0.512 0.395 0.963 0.593 CA 1.599 28 residues pruned to eliminate duplicates Z: 22 20.344 2.199 0.516 0.411 0.952 0.476 CA 1.534 23 residues pruned to eliminate duplicates Z: 8 7.320 1.894 0.275 0.550 1.000 0.143 CB 1.091 8 residues pruned to eliminate duplicates Z: 24 22.447 2.080 0.605 0.431 0.957 0.565 CA 1.574 22 residues pruned to eliminate duplicates Z: 6 5.498 1.961 0.795 0.332 0.800 0.600 CA 1.049 6 residues pruned to eliminate duplicates Z: 22 20.100 2.208 0.461 0.367 0.952 0.524 CA 1.647 22 residues pruned to eliminate duplicates Z: 23 20.539 2.158 0.440 0.429 0.955 0.545 CA 1.590 23 residues pruned to eliminate duplicates Z: 23 18.833 2.130 0.483 0.385 0.909 0.500 CA 1.579 23 residues pruned to eliminate duplicates Z: 22 19.614 2.143 0.460 0.451 0.905 0.476 CA 1.591 22 residues pruned to eliminate duplicates Z: 65 46.191 2.194 0.830 0.555 0.875 0.547 CB 1.558 65 residues pruned to eliminate duplicates Z: 23 18.252 2.124 0.442 0.386 0.955 0.409 CA 1.503 23 residues pruned to eliminate duplicates Z: 23 19.639 2.055 0.541 0.432 0.909 0.636 CA 1.560 23 residues pruned to eliminate duplicates Z: 23 15.843 2.123 0.388 0.343 0.864 0.455 CB 1.575 23 residues pruned to eliminate duplicates Z: 23 21.670 2.083 0.578 0.442 0.955 0.455 CB 1.563 23 residues pruned to eliminate duplicates Z: 22 23.760 2.205 0.586 0.417 0.952 0.524 CA 1.697 22 residues pruned to eliminate duplicates Z: 21 20.436 2.159 0.496 0.446 0.950 0.500 CA 1.575 21 residues pruned to eliminate duplicates Z: 21 22.910 2.179 0.445 0.508 1.000 0.450 CA 1.615 21 residues pruned to eliminate duplicates Z: 44 41.167 2.239 0.869 0.549 0.907 0.581 CB 1.577 44 residues pruned to eliminate duplicates Z: 50 31.669 2.163 0.600 0.490 0.878 0.531 CB 1.505 50 residues pruned to eliminate duplicates Z: 6 4.801 1.671 0.209 0.509 1.000 0.400 CB 1.054 6 residues pruned to eliminate duplicates Z: 21 20.491 2.090 0.696 0.581 0.850 0.550 CB 1.407 21 residues pruned to eliminate duplicates Z: 20 26.771 2.182 0.823 0.638 0.895 0.579 CB 1.517 20 residues pruned to eliminate duplicates Z: 21 22.377 2.105 0.810 0.561 0.850 0.550 CB 1.457 21 residues pruned to eliminate duplicates Z: 37 26.460 1.966 0.695 0.514 0.917 0.611 CB 1.423 37 residues pruned to eliminate duplicates Z: 33 26.366 2.031 0.768 0.512 0.938 0.500 CB 1.369 33 residues pruned to eliminate duplicates Z: 22 19.963 2.061 0.585 0.550 0.905 0.762 CB 1.404 22 residues pruned to eliminate duplicates Z: 21 20.728 2.110 0.731 0.586 0.850 0.600 CB 1.375 21 residues pruned to eliminate duplicates Z: 20 22.719 2.195 0.719 0.607 0.842 0.474 CB 1.481 20 residues pruned to eliminate duplicates Z: 22 20.852 2.038 0.760 0.530 0.857 0.619 CB 1.437 22 residues pruned to eliminate duplicates Z: 25 26.492 2.089 0.833 0.594 0.917 0.625 CB 1.407 25 residues pruned to eliminate duplicates Z: 20 24.107 2.181 0.755 0.589 0.895 0.632 CB 1.484 20 residues pruned to eliminate duplicates Z: 31 31.030 2.150 0.802 0.572 0.933 0.633 CB 1.461 31 residues pruned to eliminate duplicates Z: 12 29.116 2.151 0.917 0.873 1.000 0.909 CB 1.551 12 residues pruned to eliminate duplicates Z: 31 27.760 2.100 0.747 0.545 0.933 0.500 CB 1.417 31 residues pruned to eliminate duplicates Z: 30 32.577 2.200 0.749 0.603 0.931 0.724 CB 1.531 30 residues pruned to eliminate duplicates Z: 25 15.821 1.867 0.578 0.487 0.833 0.458 CA 1.333 25 residues pruned to eliminate duplicates Z: 31 29.642 2.140 0.731 0.585 0.933 0.633 CB 1.443 31 residues pruned to eliminate duplicates Z: 33 26.011 2.083 0.672 0.521 0.875 0.625 CB 1.478 33 residues pruned to eliminate duplicates Z: 12 14.836 2.085 0.613 0.507 0.909 0.545 CB 1.453 12 residues pruned to eliminate duplicates Z: 12 15.734 2.068 0.724 0.507 0.909 0.636 CB 1.454 12 residues pruned to eliminate duplicates Z: 13 13.845 1.914 0.787 0.491 0.917 0.417 CB 1.287 13 residues pruned to eliminate duplicates Z: 12 16.864 2.115 0.748 0.509 0.909 0.636 CB 1.498 12 residues pruned to eliminate duplicates Z: 6 5.111 1.314 1.027 0.425 1.000 0.600 CA 0.928 6 residues pruned to eliminate duplicates Z: 31 21.681 1.981 0.813 0.407 0.833 0.500 CB 1.459 31 residues pruned to eliminate duplicates Z: 22 17.239 2.107 0.685 0.275 0.857 0.429 CB 1.595 22 residues pruned to eliminate duplicates Z: 20 14.308 1.967 0.575 0.336 0.842 0.421 CB 1.506 20 residues pruned to eliminate duplicates Z: 22 24.547 2.157 0.920 0.431 0.905 0.619 CB 1.536 22 residues pruned to eliminate duplicates Z: 15 13.761 1.954 0.735 0.366 0.857 0.429 CA 1.462 15 residues pruned to eliminate duplicates Z: 19 16.865 2.019 0.626 0.409 0.889 0.444 CA 1.499 19 residues pruned to eliminate duplicates Z: 14 12.308 1.980 0.624 0.318 0.846 0.462 CA 1.534 14 residues pruned to eliminate duplicates Z: 23 21.568 2.089 0.775 0.375 0.909 0.500 CB 1.559 23 residues pruned to eliminate duplicates Z: 16 17.282 2.180 0.904 0.318 0.800 0.533 CA 1.644 16 residues pruned to eliminate duplicates Z: 23 21.969 2.072 0.771 0.413 0.909 0.545 CB 1.538 24 residues pruned to eliminate duplicates Z: 8 5.320 1.624 0.480 0.488 0.714 0.571 CB 1.185 7 residues pruned to eliminate duplicates Z: 7 4.709 1.563 0.399 0.455 0.833 0.167 CB 1.104 7 residues pruned to eliminate duplicates Z: 23 26.644 2.089 0.981 0.452 0.909 0.545 CB 1.585 24 residues pruned to eliminate duplicates 343 residues left after pruning, divided into chains as follows: A: 36 B: 279 C: 28 CC for partial structure against native data = 40.57 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.342, Connect. = 0.707 for dens.mod. cycle 1 = 0.301, Contrast = 0.390, Connect. = 0.727 for dens.mod. cycle 2 = 0.301, Contrast = 0.466, Connect. = 0.758 for dens.mod. cycle 3 = 0.301, Contrast = 0.470, Connect. = 0.758 for dens.mod. cycle 4 = 0.301, Contrast = 0.479, Connect. = 0.761 for dens.mod. cycle 5 = 0.301, Contrast = 0.485, Connect. = 0.762 for dens.mod. cycle 6 = 0.301, Contrast = 0.491, Connect. = 0.764 for dens.mod. cycle 7 = 0.301, Contrast = 0.495, Connect. = 0.765 for dens.mod. cycle 8 = 0.301, Contrast = 0.499, Connect. = 0.766 for dens.mod. cycle 9 = 0.301, Contrast = 0.502, Connect. = 0.767 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.76 - 2.97 - 2.59 - 2.35 - 2.18 - 2.05 - 1.94 - 1.86 - 1.78 - 1.71 0.680 0.657 0.673 0.684 0.690 0.694 0.687 0.647 0.583 0.545 0.864 0.834 0.852 0.863 0.858 0.865 0.860 0.826 0.752 0.711 N 3829 3837 3822 3864 3851 3860 4109 3571 3926 3612 Estimated mean FOM = 0.655 Pseudo-free CC = 67.65 % Best trace (cycle 2 with CC 41.82%) was saved as ./1vlo-1.7-parrot-noncs/1vlo-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.3 - Setup, data input and phasing 4.7 - FFTs and peak-searches 13.0 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 1474.0 - Tripeptide search 9039.6 - Chain tracing 0.0 - NCS analysis 22.9 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:35:23 Total time: 10555.26 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 176.77 Used memory is bytes: 19807336