++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:32:23 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: ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.ins Phases from ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.phi Native data from ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.hkl Listing output to ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.lst Phases output to ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.phs Poly-Ala trace output to ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 36536 Reflections read from file ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.phi 36536 Reflections read from file ./2op5-2.2-parrot-mrncs/2op5-2.2-parrot-mrncs.hkl 36536 Unique data, highest resolution = 2.190 Angstroms Anisotropic scaling: intensities multiplied by 0.000118h^2 +0.000007k^2 -0.000007l^2 +0.000000kl +0.000000hl +0.000000hk 17 Reflections with d > 2.390 and 0 in range 2.390 > d > 2.190 added Density sharpening factor set to 0.47 Fourier grid = 128 x 128 x 51 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.641 ** -f missing ?? ** = 0.300, Contrast = 0.276, Connect. = 0.662 for dens.mod. cycle 1 = 0.300, Contrast = 0.350, Connect. = 0.676 for dens.mod. cycle 2 = 0.300, Contrast = 0.458, Connect. = 0.719 for dens.mod. cycle 3 = 0.300, Contrast = 0.496, Connect. = 0.733 for dens.mod. cycle 4 = 0.300, Contrast = 0.521, Connect. = 0.741 for dens.mod. cycle 5 = 0.300, Contrast = 0.537, Connect. = 0.747 for dens.mod. cycle 6 = 0.300, Contrast = 0.547, Connect. = 0.751 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.754 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.756 for dens.mod. cycle 9 = 0.300, Contrast = 0.567, Connect. = 0.757 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2427 peaks > 0.5 sigma used to seed fragment search Space for about 763 unique residues taking solvent into account 653 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 29.950 2.012 1.058 0.815 1.000 0.733 CB 1.420 B: 12 12.609 1.810 0.695 0.669 0.909 0.727 CA 1.166 C: 18 23.560 1.904 0.865 0.835 1.000 0.765 CB 1.205 18 residues pruned to eliminate duplicates D: 34 28.890 1.819 0.584 0.920 1.000 0.909 CA 1.229 E: 12 21.472 1.852 0.799 0.937 1.000 0.818 CB 1.352 F: 11 13.058 1.791 0.359 0.887 0.900 0.800 CA 1.359 G: 50 34.873 1.853 0.607 0.889 0.980 0.776 CA 1.230 35 residues pruned to eliminate duplicates H: 27 15.186 1.827 0.751 0.449 0.846 0.654 CB 1.159 12 residues pruned to eliminate duplicates I: 11 10.280 1.723 0.604 0.823 1.000 0.600 CB 0.889 12 residues pruned to eliminate duplicates J: 13 19.219 1.916 0.690 0.854 1.000 0.917 CB 1.265 K: 9 11.341 1.937 1.033 0.521 0.875 0.750 CB 1.140 10 residues pruned to eliminate duplicates L: 14 21.200 1.968 0.952 0.769 0.923 0.692 CB 1.306 14 residues pruned to eliminate duplicates M: 17 24.859 1.978 0.772 0.802 1.000 0.438 CB 1.362 17 residues pruned to eliminate duplicates N: 17 22.574 1.851 0.915 0.841 0.938 0.625 CB 1.266 17 residues pruned to eliminate duplicates O: 31 34.471 1.843 0.962 0.914 0.967 0.767 CB 1.274 31 residues pruned to eliminate duplicates P: 12 18.160 1.798 0.750 0.904 1.000 0.273 CA 1.240 11 residues pruned to eliminate duplicates Q: 13 20.994 1.804 0.734 0.912 1.000 0.917 CA 1.373 13 residues pruned to eliminate duplicates R: 39 29.052 1.901 0.688 0.653 1.000 0.711 CB 1.273 S: 13 15.208 1.805 0.430 0.908 1.000 0.833 CB 1.208 13 residues pruned to eliminate duplicates T: 40 35.834 1.866 0.792 0.898 0.949 0.769 CA 1.293 40 residues pruned to eliminate duplicates U: 12 12.407 1.823 0.840 0.502 0.909 0.727 CB 1.224 V: 10 14.665 1.825 0.654 0.892 1.000 1.000 CB 1.163 10 residues pruned to eliminate duplicates W: 16 15.580 1.755 0.629 0.792 0.933 0.667 CA 1.167 16 residues pruned to eliminate duplicates X: 16 13.719 1.816 0.806 0.506 0.933 0.733 CA 1.150 16 residues pruned to eliminate duplicates Y: 13 8.875 1.717 0.760 0.435 0.833 0.583 CB 1.088 Z: 16 11.677 1.843 0.716 0.396 0.867 0.533 CB 1.227 Z: 17 17.099 1.707 0.756 0.944 1.000 1.000 CB 0.988 Z: 16 24.716 1.844 0.895 0.843 1.000 0.733 CA 1.360 Z: 26 22.090 1.854 0.719 0.647 0.960 0.800 CB 1.259 26 residues pruned to eliminate duplicates Z: 15 12.576 1.752 0.619 0.514 0.929 0.714 CB 1.258 12 residues pruned to eliminate duplicates Z: 14 18.353 1.954 0.269 0.875 1.000 0.846 CB 1.493 13 residues pruned to eliminate duplicates Z: 15 18.430 1.731 0.429 0.940 1.000 0.857 CA 1.383 Z: 24 17.742 1.827 0.857 0.471 0.870 0.609 CA 1.291 24 residues pruned to eliminate duplicates Z: 17 15.366 1.732 1.067 0.531 0.938 0.750 CA 1.111 17 residues pruned to eliminate duplicates Z: 15 24.239 1.889 0.994 0.930 1.000 0.857 CB 1.203 15 residues pruned to eliminate duplicates Z: 50 33.049 1.917 0.830 0.620 0.959 0.633 CB 1.252 48 residues pruned to eliminate duplicates Z: 27 20.736 1.864 0.675 0.534 0.885 0.615 CA 1.424 16 residues pruned to eliminate duplicates Z: 16 10.949 1.728 0.494 0.845 0.867 0.800 CB 0.940 16 residues pruned to eliminate duplicates Z: 15 16.332 1.833 0.780 0.761 0.929 0.643 CB 1.143 16 residues pruned to eliminate duplicates Z: 8 11.404 1.783 0.511 0.874 1.000 0.857 CA 1.164 Z: 31 30.385 1.831 0.901 0.909 0.967 0.533 CB 1.170 31 residues pruned to eliminate duplicates Z: 42 26.905 1.859 0.698 0.572 0.951 0.756 CB 1.305 42 residues pruned to eliminate duplicates Z: 6 3.662 1.480 1.322 0.295 0.600 0.400 CB 0.999 Z: 23 20.695 1.776 0.668 0.595 1.000 0.818 CA 1.360 6 residues pruned to eliminate duplicates Z: 7 8.052 1.769 0.845 0.544 0.667 0.667 CA 1.447 Z: 17 22.024 1.862 0.778 0.781 1.000 0.688 CA 1.299 17 residues pruned to eliminate duplicates Z: 22 15.896 1.753 0.831 0.546 0.810 0.524 CB 1.276 13 residues pruned to eliminate duplicates Z: 28 22.394 1.864 0.485 0.646 1.000 0.593 CB 1.358 19 residues pruned to eliminate duplicates Z: 17 22.373 1.777 0.823 0.854 1.000 0.625 CB 1.275 17 residues pruned to eliminate duplicates Z: 20 10.891 1.634 0.637 0.463 0.842 0.474 CB 1.152 Z: 17 12.683 1.574 1.112 0.518 0.812 0.625 CB 1.153 Z: 16 16.959 1.830 0.469 0.937 1.000 0.933 CB 1.133 15 residues pruned to eliminate duplicates Z: 13 19.279 1.874 0.482 0.932 1.000 0.833 CB 1.399 16 residues pruned to eliminate duplicates Z: 11 16.142 1.690 0.939 0.631 1.000 0.800 N 1.377 Z: 8 9.904 1.728 0.703 0.516 1.000 0.571 CB 1.252 Z: 14 11.824 1.835 0.765 0.451 0.846 0.538 CA 1.258 15 residues pruned to eliminate duplicates Z: 13 18.620 1.797 1.004 0.901 0.833 0.667 CA 1.278 14 residues pruned to eliminate duplicates Z: 12 11.038 1.765 0.284 0.913 0.909 0.818 CA 1.144 12 residues pruned to eliminate duplicates Z: 27 21.800 1.862 0.757 0.598 0.885 0.654 CA 1.345 32 residues pruned to eliminate duplicates Z: 32 24.871 1.840 0.451 0.922 1.000 0.839 CA 1.176 32 residues pruned to eliminate duplicates Z: 15 21.688 1.877 0.710 0.805 1.000 0.714 CB 1.384 15 residues pruned to eliminate duplicates Z: 11 11.802 1.697 0.548 0.849 0.900 0.700 CA 1.170 Z: 12 17.775 1.809 0.770 0.901 1.000 0.909 CB 1.195 Z: 13 18.694 1.853 0.829 0.859 1.000 0.583 CA 1.172 13 residues pruned to eliminate duplicates Z: 30 31.089 1.882 1.032 0.910 0.931 0.655 CB 1.150 30 residues pruned to eliminate duplicates Z: 19 20.667 1.823 0.625 0.786 0.944 0.611 CB 1.355 19 residues pruned to eliminate duplicates Z: 12 12.238 1.804 0.295 0.912 0.909 0.727 CA 1.230 12 residues pruned to eliminate duplicates Z: 14 18.422 1.916 0.605 0.912 1.000 0.923 CA 1.176 14 residues pruned to eliminate duplicates Z: 33 23.361 1.793 0.905 0.674 0.969 0.562 CB 1.063 43 residues pruned to eliminate duplicates Z: 17 21.199 1.710 0.637 0.914 1.000 0.625 CB 1.339 13 residues pruned to eliminate duplicates Z: 6 8.345 1.695 0.218 0.848 1.000 0.800 CB 1.342 Z: 15 24.443 1.885 0.875 0.836 1.000 0.857 CB 1.384 15 residues pruned to eliminate duplicates Z: 17 23.971 1.917 0.791 0.798 1.000 0.688 CB 1.345 17 residues pruned to eliminate duplicates Z: 17 23.085 1.987 0.627 0.779 1.000 0.688 CB 1.396 17 residues pruned to eliminate duplicates Z: 32 20.881 1.836 0.758 0.617 0.871 0.581 CB 1.194 32 residues pruned to eliminate duplicates Z: 7 3.970 1.749 0.153 0.529 1.000 0.667 CB 0.781 Z: 20 26.925 1.940 1.079 0.722 0.947 0.842 CA 1.324 20 residues pruned to eliminate duplicates Z: 10 2.588 1.634 -0.037 0.485 0.778 0.444 CB 0.716 Z: 27 31.612 1.843 0.908 0.884 1.000 0.769 CB 1.274 27 residues pruned to eliminate duplicates Z: 15 19.159 1.852 0.810 0.843 0.929 0.643 CB 1.225 15 residues pruned to eliminate duplicates Z: 16 20.537 1.777 0.633 0.882 0.933 0.667 CB 1.417 16 residues pruned to eliminate duplicates Z: 13 12.832 1.806 0.524 0.493 1.000 0.667 CA 1.355 Z: 14 15.866 1.854 0.460 0.837 0.923 0.538 CB 1.317 14 residues pruned to eliminate duplicates Z: 14 20.065 1.842 1.015 0.907 0.923 0.846 CA 1.155 14 residues pruned to eliminate duplicates Z: 31 20.570 1.793 0.630 0.719 0.933 0.867 CB 1.130 17 residues pruned to eliminate duplicates Z: 12 13.465 1.721 0.516 0.908 1.000 0.909 CB 1.105 Z: 23 19.532 1.838 0.717 0.492 0.955 0.591 CB 1.393 23 residues pruned to eliminate duplicates Z: 21 15.062 1.657 0.857 0.591 0.900 0.700 CB 1.115 Z: 14 15.187 1.665 0.774 0.875 0.846 0.538 CB 1.226 14 residues pruned to eliminate duplicates Z: 9 10.106 1.593 0.564 0.630 1.000 0.750 CA 1.268 8 residues pruned to eliminate duplicates Z: 7 8.075 1.815 -0.095 0.900 1.000 1.000 CA 1.433 7 residues pruned to eliminate duplicates Z: 19 16.584 1.735 0.724 0.601 0.944 0.667 CB 1.257 21 residues pruned to eliminate duplicates Z: 18 11.984 1.706 0.620 0.409 0.941 0.412 CB 1.229 20 residues pruned to eliminate duplicates Z: 9 13.875 1.754 0.854 0.690 1.000 0.750 CA 1.268 Z: 12 19.146 1.962 1.076 0.833 0.909 0.636 CB 1.169 12 residues pruned to eliminate duplicates Z: 15 19.300 1.874 0.615 0.795 1.000 0.714 CA 1.316 15 residues pruned to eliminate duplicates Z: 8 6.995 1.469 0.574 0.587 1.000 0.857 CB 1.052 5 residues pruned to eliminate duplicates Z: 12 18.606 1.771 0.901 0.909 1.000 0.909 CA 1.183 12 residues pruned to eliminate duplicates Z: 16 21.031 1.702 0.812 0.901 1.000 0.733 CB 1.257 16 residues pruned to eliminate duplicates Z: 27 9.884 1.694 0.462 0.442 0.808 0.577 CB 1.029 24 residues pruned to eliminate duplicates Z: 14 22.713 1.950 0.688 0.868 1.000 0.923 CB 1.399 14 residues pruned to eliminate duplicates Z: 17 20.420 1.760 0.827 0.879 1.000 0.500 CB 1.152 17 residues pruned to eliminate duplicates Z: 34 19.767 1.835 0.536 0.582 1.000 0.727 CB 1.128 20 residues pruned to eliminate duplicates Z: 13 20.048 1.935 0.735 0.837 1.000 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 14 17.102 1.799 1.078 0.623 0.923 0.769 CA 1.224 14 residues pruned to eliminate duplicates Z: 14 17.358 1.907 0.952 0.441 1.000 0.692 CA 1.375 14 residues pruned to eliminate duplicates Z: 14 15.538 1.643 0.890 0.883 0.923 0.692 CA 1.087 14 residues pruned to eliminate duplicates Z: 15 20.236 1.804 0.854 0.915 1.000 0.929 CB 1.143 15 residues pruned to eliminate duplicates Z: 8 18.597 1.969 0.923 0.919 1.000 0.571 CB 1.308 8 residues pruned to eliminate duplicates Z: 12 18.437 1.894 0.535 0.884 1.000 0.909 CA 1.381 12 residues pruned to eliminate duplicates Z: 15 11.090 1.611 0.630 0.482 0.857 0.571 O 1.341 Z: 13 16.845 1.889 0.820 0.553 1.000 0.750 CB 1.344 13 residues pruned to eliminate duplicates Z: 12 13.002 1.710 0.443 0.866 1.000 0.818 CB 1.164 12 residues pruned to eliminate duplicates Z: 50 26.547 1.896 0.585 0.497 0.959 0.612 CB 1.319 50 residues pruned to eliminate duplicates Z: 19 14.955 1.769 0.692 0.591 0.944 0.722 CA 1.144 19 residues pruned to eliminate duplicates Z: 14 9.163 1.682 0.635 0.469 0.769 0.692 CA 1.240 Z: 16 25.542 1.856 0.963 0.921 1.000 0.867 CB 1.273 16 residues pruned to eliminate duplicates Z: 17 16.279 1.726 0.815 0.476 0.938 0.625 CB 1.419 Z: 12 16.196 1.801 0.643 0.840 0.909 0.727 CA 1.354 11 residues pruned to eliminate duplicates Z: 16 24.274 1.896 0.861 0.892 1.000 0.600 CB 1.276 16 residues pruned to eliminate duplicates Z: 14 17.260 1.778 0.742 0.538 1.000 0.538 CA 1.489 13 residues pruned to eliminate duplicates Z: 16 18.567 1.781 0.912 0.626 1.000 0.867 CB 1.250 16 residues pruned to eliminate duplicates Z: 7 8.320 1.813 0.586 0.380 1.000 0.667 CA 1.341 7 residues pruned to eliminate duplicates Z: 11 15.734 1.762 1.249 0.607 1.000 0.800 CB 1.134 Z: 14 4.993 1.522 0.415 0.302 0.846 0.462 CB 0.947 Z: 8 4.767 1.518 0.503 0.631 0.714 0.571 CA 0.977 Z: 15 26.209 1.898 1.131 0.920 1.000 0.786 CB 1.220 15 residues pruned to eliminate duplicates Z: 14 14.841 1.773 0.486 0.881 0.846 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 13 21.498 1.752 0.921 0.911 1.000 0.833 CA 1.307 13 residues pruned to eliminate duplicates Z: 35 31.831 1.867 0.661 0.910 1.000 0.912 CA 1.248 35 residues pruned to eliminate duplicates Z: 12 17.127 1.708 0.744 0.905 0.909 0.545 CA 1.357 11 residues pruned to eliminate duplicates Z: 36 27.795 1.811 0.826 0.752 0.971 0.857 CA 1.169 36 residues pruned to eliminate duplicates Z: 6 5.339 1.488 0.734 0.492 0.800 0.800 CB 1.166 6 residues pruned to eliminate duplicates Z: 12 13.044 1.691 0.855 0.875 0.909 0.636 CA 1.003 12 residues pruned to eliminate duplicates Z: 18 21.162 1.932 0.705 0.772 0.941 0.765 CB 1.301 18 residues pruned to eliminate duplicates Z: 15 15.876 1.861 0.469 0.893 1.000 0.786 CB 1.114 15 residues pruned to eliminate duplicates Z: 15 21.529 1.896 0.812 0.940 1.000 0.929 CB 1.163 15 residues pruned to eliminate duplicates Z: 15 20.804 1.753 0.729 0.934 1.000 0.857 CB 1.280 15 residues pruned to eliminate duplicates Z: 18 16.105 1.859 0.582 0.740 0.941 0.647 CA 1.138 18 residues pruned to eliminate duplicates Z: 11 19.649 1.875 1.048 0.900 1.000 0.900 CB 1.156 12 residues pruned to eliminate duplicates Z: 12 19.162 1.798 0.874 0.855 1.000 0.909 CB 1.266 12 residues pruned to eliminate duplicates Z: 16 14.803 1.845 0.855 0.499 1.000 0.600 CA 1.117 16 residues pruned to eliminate duplicates Z: 13 15.920 1.810 0.938 0.644 0.917 0.833 CA 1.250 13 residues pruned to eliminate duplicates Z: 22 12.441 1.674 0.683 0.434 0.857 0.571 CB 1.203 22 residues pruned to eliminate duplicates Z: 13 15.804 1.753 0.605 0.915 1.000 1.000 CA 1.146 13 residues pruned to eliminate duplicates Z: 8 4.375 1.662 0.289 0.335 0.714 0.429 CB 1.294 Z: 13 13.983 1.711 0.649 0.875 1.000 0.917 CA 1.041 13 residues pruned to eliminate duplicates Z: 12 6.636 1.592 0.611 0.429 0.909 0.636 CB 0.923 12 residues pruned to eliminate duplicates Z: 9 14.531 1.900 0.645 0.904 0.875 0.750 CB 1.338 9 residues pruned to eliminate duplicates Z: 18 14.437 1.625 0.865 0.443 0.941 0.529 CB 1.302 13 residues pruned to eliminate duplicates Z: 16 10.509 1.530 0.899 0.414 0.933 0.733 CA 1.095 17 residues pruned to eliminate duplicates Z: 10 19.649 1.998 0.506 0.925 1.000 1.000 CA 1.528 10 residues pruned to eliminate duplicates Z: 24 11.054 1.678 0.559 0.449 0.870 0.609 CB 1.068 20 residues pruned to eliminate duplicates Z: 12 12.454 1.633 0.562 0.867 1.000 0.818 CA 1.076 Z: 11 11.044 1.761 0.784 0.434 0.900 0.700 CB 1.322 11 residues pruned to eliminate duplicates Z: 16 16.238 1.865 0.703 0.481 1.000 0.600 CB 1.345 16 residues pruned to eliminate duplicates Z: 11 12.849 1.719 1.114 0.544 1.000 0.500 CA 1.071 11 residues pruned to eliminate duplicates Z: 13 15.121 1.607 0.756 0.861 1.000 0.833 CA 1.136 13 residues pruned to eliminate duplicates Z: 32 18.580 1.672 0.690 0.597 0.871 0.581 CA 1.236 21 residues pruned to eliminate duplicates Z: 18 15.051 1.718 0.617 0.467 1.000 0.588 CB 1.358 7 residues pruned to eliminate duplicates Z: 10 8.378 1.530 0.803 0.521 0.889 0.556 CB 1.116 5 residues pruned to eliminate duplicates Z: 15 21.001 1.961 0.781 0.799 0.929 0.500 CB 1.332 15 residues pruned to eliminate duplicates Z: 10 12.820 1.670 0.887 0.637 1.000 0.667 N 1.192 Z: 43 23.018 1.835 0.678 0.581 0.905 0.667 CB 1.179 73 residues pruned to eliminate duplicates Z: 17 19.074 1.850 0.789 0.544 1.000 0.625 CA 1.380 16 residues pruned to eliminate duplicates Z: 14 12.594 1.784 0.655 0.434 1.000 0.538 CA 1.267 14 residues pruned to eliminate duplicates Z: 17 15.395 1.757 0.871 0.524 0.938 0.750 CA 1.219 17 residues pruned to eliminate duplicates Z: 10 17.037 1.771 1.015 0.702 1.000 0.889 CA 1.324 11 residues pruned to eliminate duplicates Z: 15 24.420 1.852 0.938 0.823 1.000 0.571 CB 1.374 15 residues pruned to eliminate duplicates Z: 36 19.725 1.775 0.697 0.591 0.914 0.657 CB 1.109 39 residues pruned to eliminate duplicates Z: 7 2.572 1.537 0.077 0.512 1.000 0.667 CB 0.627 Z: 26 26.166 1.854 0.782 0.769 1.000 0.880 CB 1.249 29 residues pruned to eliminate duplicates Z: 16 24.964 1.895 0.893 0.912 1.000 0.867 CB 1.273 16 residues pruned to eliminate duplicates 6 1.904 1.482 -0.041 0.299 1.000 0.600 CB 0.750 ? Z: 9 6.232 1.624 0.633 0.512 0.875 0.500 CB 0.938 9 residues pruned to eliminate duplicates Z: 13 11.024 1.767 0.588 0.510 0.917 0.750 CB 1.226 13 residues pruned to eliminate duplicates Z: 13 17.754 1.771 1.092 0.518 0.917 0.667 CA 1.482 12 residues pruned to eliminate duplicates Z: 9 4.739 1.801 0.277 0.391 0.750 0.625 CB 1.090 11 residues pruned to eliminate duplicates Z: 14 16.581 1.847 0.750 0.925 0.923 0.846 CA 1.082 14 residues pruned to eliminate duplicates Z: 11 3.211 1.398 0.103 0.699 0.900 0.500 CB 0.610 11 residues pruned to eliminate duplicates Z: 13 12.737 1.742 0.686 0.569 0.917 0.667 CA 1.277 13 residues pruned to eliminate duplicates Z: 13 12.788 1.715 0.698 0.924 1.000 1.000 CA 0.890 13 residues pruned to eliminate duplicates Z: 35 25.260 1.884 0.766 0.537 0.882 0.588 CB 1.424 37 residues pruned to eliminate duplicates Z: 12 12.466 1.711 0.693 0.608 1.000 0.727 CA 1.170 12 residues pruned to eliminate duplicates Z: 21 15.883 1.841 0.875 0.539 0.850 0.550 CA 1.164 21 residues pruned to eliminate duplicates Z: 15 21.037 1.818 0.823 0.813 1.000 0.571 CB 1.292 15 residues pruned to eliminate duplicates Z: 6 3.889 1.563 0.206 0.558 1.000 1.000 CB 0.872 6 residues pruned to eliminate duplicates Z: 19 23.087 1.742 0.987 0.887 0.944 0.722 CB 1.200 19 residues pruned to eliminate duplicates Z: 10 9.720 1.865 0.612 0.642 0.889 0.778 CB 1.062 10 residues pruned to eliminate duplicates Z: 15 28.057 1.880 1.234 0.928 1.000 0.714 CB 1.250 15 residues pruned to eliminate duplicates Z: 12 20.313 1.889 0.603 0.903 1.000 0.818 CA 1.441 12 residues pruned to eliminate duplicates Z: 16 20.673 1.757 1.118 0.902 0.933 0.667 CB 1.097 16 residues pruned to eliminate duplicates Z: 16 18.883 1.823 1.062 0.930 1.000 0.800 CB 0.907 17 residues pruned to eliminate duplicates Z: 14 23.518 1.943 0.739 0.848 1.000 0.923 CB 1.432 14 residues pruned to eliminate duplicates Z: 13 9.356 1.756 0.566 0.784 0.917 0.583 CB 0.834 13 residues pruned to eliminate duplicates Z: 10 11.119 1.695 1.089 0.591 0.778 0.667 CB 1.234 Z: 15 11.226 1.736 0.429 0.829 0.929 0.714 CB 0.980 15 residues pruned to eliminate duplicates Z: 15 14.298 1.799 0.540 0.902 1.000 0.786 CB 0.984 15 residues pruned to eliminate duplicates Z: 33 16.133 1.763 0.617 0.596 0.938 0.562 CB 0.974 33 residues pruned to eliminate duplicates Z: 14 8.930 1.644 0.443 0.469 0.923 0.538 CA 1.167 15 residues pruned to eliminate duplicates Z: 15 19.214 1.783 0.474 0.922 1.000 0.929 CA 1.374 15 residues pruned to eliminate duplicates Z: 13 12.985 1.758 0.787 0.539 0.917 0.750 CB 1.254 12 residues pruned to eliminate duplicates Z: 16 13.179 1.842 0.633 0.472 0.933 0.600 CA 1.247 16 residues pruned to eliminate duplicates Z: 7 10.760 1.722 0.798 0.641 1.000 0.500 CB 1.243 7 residues pruned to eliminate duplicates Z: 10 6.910 1.575 0.719 0.457 0.889 0.556 CA 1.000 10 residues pruned to eliminate duplicates Z: 10 8.745 1.597 0.633 0.651 0.889 0.444 CB 1.093 Z: 9 6.129 1.412 0.902 0.463 0.875 0.500 CA 0.958 Z: 40 22.838 1.761 0.545 0.588 0.949 0.718 CA 1.303 38 residues pruned to eliminate duplicates Z: 48 42.502 1.881 1.018 0.931 1.000 0.681 CB 1.141 48 residues pruned to eliminate duplicates Z: 49 36.895 1.850 0.662 0.924 1.000 0.750 CA 1.216 49 residues pruned to eliminate duplicates Z: 57 34.109 1.828 0.767 0.527 0.964 0.643 CB 1.425 56 residues pruned to eliminate duplicates Z: 10 15.917 1.778 1.052 0.667 0.889 0.778 CB 1.401 10 residues pruned to eliminate duplicates Z: 11 14.349 1.707 0.753 0.897 1.000 0.900 CB 1.086 11 residues pruned to eliminate duplicates Z: 11 11.915 1.878 0.142 0.899 1.000 0.900 CA 1.256 11 residues pruned to eliminate duplicates Z: 6 2.837 1.242 0.150 0.792 0.800 0.600 CB 0.859 Z: 15 23.481 1.890 0.911 0.822 0.929 0.571 CA 1.416 15 residues pruned to eliminate duplicates Z: 7 7.670 1.588 0.765 0.713 0.833 0.833 CB 1.106 Z: 18 26.573 1.937 0.812 0.763 1.000 0.647 CB 1.454 18 residues pruned to eliminate duplicates Z: 8 13.760 1.864 0.710 0.660 1.000 0.857 CA 1.406 8 residues pruned to eliminate duplicates Z: 15 18.374 1.802 0.937 0.900 1.000 0.714 CB 1.005 15 residues pruned to eliminate duplicates Z: 13 11.164 1.571 0.442 0.838 1.000 0.750 CA 1.063 13 residues pruned to eliminate duplicates Z: 9 7.429 1.785 0.631 0.459 0.750 0.625 CB 1.254 9 residues pruned to eliminate duplicates Z: 14 5.514 1.581 0.492 0.326 0.769 0.462 CB 1.020 14 residues pruned to eliminate duplicates Z: 10 7.857 1.713 0.379 0.513 0.889 0.556 CA 1.231 10 residues pruned to eliminate duplicates Z: 27 28.171 1.893 0.914 0.708 1.000 0.846 CA 1.263 27 residues pruned to eliminate duplicates Z: 15 13.725 1.808 0.576 0.744 1.000 0.571 CB 1.035 15 residues pruned to eliminate duplicates Z: 19 20.703 1.939 0.738 0.695 1.000 0.944 CA 1.211 19 residues pruned to eliminate duplicates Z: 17 12.494 1.727 0.710 0.677 0.750 0.375 CB 1.197 17 residues pruned to eliminate duplicates Z: 12 18.535 1.707 0.786 0.917 1.000 0.909 CB 1.294 12 residues pruned to eliminate duplicates Z: 14 11.465 1.717 0.711 0.456 0.923 0.615 CB 1.227 14 residues pruned to eliminate duplicates Z: 9 4.487 1.750 0.493 0.299 0.750 0.500 CB 1.014 9 residues pruned to eliminate duplicates Z: 15 12.862 1.779 0.389 0.804 1.000 0.714 CB 1.067 15 residues pruned to eliminate duplicates Z: 13 18.822 1.738 0.872 0.920 1.000 0.667 CA 1.176 13 residues pruned to eliminate duplicates Z: 9 8.334 1.579 0.400 0.778 0.875 0.750 CB 1.192 9 residues pruned to eliminate duplicates Z: 15 20.386 1.744 0.766 0.916 1.000 0.714 CB 1.250 15 residues pruned to eliminate duplicates Z: 6 3.946 1.633 0.080 0.450 0.800 0.600 O 1.316 Z: 8 4.934 1.504 0.587 0.449 1.000 0.571 CB 0.823 Z: 32 29.415 1.834 0.731 0.897 1.000 0.871 CA 1.191 32 residues pruned to eliminate duplicates Z: 9 4.727 1.712 0.570 0.222 0.750 0.250 CB 1.148 9 residues pruned to eliminate duplicates Z: 15 25.053 1.884 0.954 0.835 1.000 0.786 CB 1.363 15 residues pruned to eliminate duplicates Z: 11 19.618 1.904 0.831 0.927 1.000 0.500 CB 1.247 11 residues pruned to eliminate duplicates Z: 32 24.859 1.864 0.675 0.584 0.968 0.645 CA 1.363 32 residues pruned to eliminate duplicates Z: 6 2.318 1.528 0.061 0.855 1.000 0.800 CB 0.472 Z: 7 13.481 1.825 0.708 0.761 1.000 1.000 CA 1.400 14 residues pruned to eliminate duplicates Z: 7 7.080 1.787 0.244 0.853 0.833 0.500 CB 1.153 7 residues pruned to eliminate duplicates Z: 46 29.021 1.814 0.548 0.637 0.978 0.733 CA 1.386 46 residues pruned to eliminate duplicates Z: 22 14.157 1.774 0.712 0.538 0.952 0.810 CB 1.029 23 residues pruned to eliminate duplicates Z: 24 25.861 1.815 0.920 0.875 0.957 0.696 CB 1.177 24 residues pruned to eliminate duplicates Z: 12 20.306 1.826 0.839 0.916 1.000 1.000 CA 1.288 12 residues pruned to eliminate duplicates Z: 10 2.669 1.556 0.207 0.240 0.667 0.556 CB 0.961 7 residues pruned to eliminate duplicates Z: 13 19.492 1.885 1.126 0.928 1.000 0.750 CB 0.984 13 residues pruned to eliminate duplicates Z: 6 2.251 1.420 -0.200 0.414 0.800 0.400 C 1.212 Z: 12 7.710 1.534 0.466 0.565 1.000 0.727 CB 0.971 12 residues pruned to eliminate duplicates Z: 9 9.891 1.726 0.309 0.722 1.000 0.875 CA 1.266 9 residues pruned to eliminate duplicates Z: 12 13.816 1.647 0.851 0.893 1.000 0.727 CB 0.981 12 residues pruned to eliminate duplicates Z: 8 12.364 1.680 0.970 0.539 1.000 0.571 CB 1.359 Z: 31 30.668 1.873 0.813 0.915 0.933 0.733 CA 1.248 31 residues pruned to eliminate duplicates Z: 6 4.490 1.473 0.671 0.309 1.000 0.400 N 1.008 Z: 14 11.364 1.353 0.742 0.854 1.000 0.692 CB 0.988 14 residues pruned to eliminate duplicates Z: 7 8.510 1.784 0.276 0.710 1.000 0.667 CA 1.262 8 residues pruned to eliminate duplicates Z: 9 5.497 1.598 0.564 0.596 0.750 0.625 CB 0.945 Z: 12 19.912 1.866 0.875 0.911 1.000 0.727 CA 1.217 12 residues pruned to eliminate duplicates Z: 11 4.885 1.420 0.205 0.580 0.800 0.700 N 1.045 Z: 7 3.808 1.719 -0.416 0.683 1.000 0.833 CB 1.309 Z: 6 3.868 1.557 0.376 0.349 1.000 0.800 O 0.951 Z: 7 2.854 1.505 -0.222 0.605 0.833 0.667 O 1.080 7 residues pruned to eliminate duplicates Z: 56 32.882 1.841 0.718 0.558 0.945 0.600 CB 1.402 57 residues pruned to eliminate duplicates Z: 18 8.509 1.676 0.369 0.382 0.941 0.588 CB 1.084 18 residues pruned to eliminate duplicates Z: 40 26.812 1.804 0.673 0.634 0.949 0.718 CA 1.323 51 residues pruned to eliminate duplicates Z: 15 18.077 1.813 0.670 0.934 1.000 1.000 CB 1.113 15 residues pruned to eliminate duplicates Z: 7 4.872 1.492 0.879 0.358 0.667 0.500 O 1.239 Z: 55 29.222 1.796 0.727 0.571 0.926 0.667 CB 1.292 55 residues pruned to eliminate duplicates Z: 14 20.538 1.850 0.906 0.932 1.000 0.769 CB 1.128 14 residues pruned to eliminate duplicates Z: 12 15.631 1.885 0.494 0.914 0.909 0.818 CA 1.302 12 residues pruned to eliminate duplicates Z: 9 13.446 1.837 0.621 0.737 1.000 1.000 CA 1.290 9 residues pruned to eliminate duplicates Z: 7 2.858 1.352 0.559 0.483 0.833 0.333 CB 0.676 7 residues pruned to eliminate duplicates Z: 42 30.858 1.863 0.802 0.663 0.976 0.732 CB 1.265 52 residues pruned to eliminate duplicates Z: 15 28.199 1.894 1.144 0.925 1.000 0.929 CB 1.302 15 residues pruned to eliminate duplicates Z: 28 27.358 1.893 0.805 0.789 1.000 0.889 CA 1.195 28 residues pruned to eliminate duplicates Z: 10 11.187 1.747 0.512 0.583 1.000 0.556 CA 1.303 12 residues pruned to eliminate duplicates Z: 8 10.468 1.835 0.198 0.918 1.000 0.857 CB 1.269 8 residues pruned to eliminate duplicates Z: 7 7.561 1.541 0.545 0.721 1.000 0.667 N 1.063 7 residues pruned to eliminate duplicates Z: 31 29.577 1.896 0.696 0.920 1.000 1.000 CA 1.183 31 residues pruned to eliminate duplicates Z: 14 13.977 1.751 0.709 0.457 1.000 0.769 CA 1.354 14 residues pruned to eliminate duplicates Z: 7 3.248 1.681 0.497 0.334 0.667 0.500 CB 0.948 Z: 12 13.678 1.735 0.724 0.907 1.000 0.636 CB 0.980 12 residues pruned to eliminate duplicates Z: 48 34.437 1.850 0.646 0.916 0.979 0.681 CA 1.190 48 residues pruned to eliminate duplicates Z: 9 8.084 1.805 0.543 0.870 1.000 0.625 CB 0.749 9 residues pruned to eliminate duplicates Z: 21 8.985 1.576 0.480 0.411 0.950 0.750 CB 0.995 19 residues pruned to eliminate duplicates Z: 14 21.501 1.947 0.670 0.836 1.000 0.615 CB 1.372 14 residues pruned to eliminate duplicates Z: 15 9.897 1.736 0.897 0.342 0.786 0.214 CB 1.214 15 residues pruned to eliminate duplicates Z: 13 11.499 1.708 0.415 0.930 1.000 0.667 CA 0.960 13 residues pruned to eliminate duplicates Z: 18 7.057 1.598 0.560 0.281 0.882 0.353 CB 0.996 18 residues pruned to eliminate duplicates Z: 14 15.620 1.760 0.782 0.487 1.000 0.692 CB 1.399 15 residues pruned to eliminate duplicates Z: 15 15.299 1.793 0.565 0.903 1.000 0.786 CB 1.039 15 residues pruned to eliminate duplicates Z: 26 28.300 1.955 0.894 0.623 0.920 0.640 CA 1.480 26 residues pruned to eliminate duplicates Z: 8 8.325 1.784 0.658 0.618 0.857 0.714 CB 1.110 Z: 17 14.744 1.752 0.721 0.580 0.875 0.688 CB 1.294 8 residues pruned to eliminate duplicates Z: 6 5.818 1.765 0.316 0.848 0.800 0.800 CB 1.039 6 residues pruned to eliminate duplicates Z: 15 11.006 1.689 0.496 0.821 1.000 0.571 CB 0.881 15 residues pruned to eliminate duplicates Z: 25 22.677 1.826 0.828 0.890 0.958 0.542 CB 1.041 25 residues pruned to eliminate duplicates Z: 20 8.853 1.604 0.507 0.395 0.789 0.526 CB 1.189 14 residues pruned to eliminate duplicates Z: 15 23.612 1.886 0.864 0.936 1.000 0.929 CB 1.250 15 residues pruned to eliminate duplicates Z: 10 17.857 1.780 0.973 0.652 1.000 0.778 CB 1.471 10 residues pruned to eliminate duplicates Z: 13 17.532 1.762 0.819 0.899 1.000 0.667 CA 1.129 13 residues pruned to eliminate duplicates Z: 7 7.371 1.734 0.380 0.640 1.000 0.500 CB 1.103 7 residues pruned to eliminate duplicates Z: 8 8.753 1.798 0.801 0.474 0.714 0.571 O 1.468 8 residues pruned to eliminate duplicates Z: 10 6.271 1.306 0.617 0.809 1.000 0.667 CB 0.756 10 residues pruned to eliminate duplicates Z: 15 26.454 1.908 1.143 0.932 1.000 0.929 CA 1.208 15 residues pruned to eliminate duplicates Z: 12 21.886 1.776 1.151 0.930 1.000 0.364 CB 1.208 12 residues pruned to eliminate duplicates Z: 16 20.049 1.813 1.076 0.941 1.000 0.867 CB 0.955 16 residues pruned to eliminate duplicates Z: 7 4.996 1.583 0.206 0.691 0.833 0.500 CB 1.077 6 residues pruned to eliminate duplicates Z: 6 4.814 1.653 0.532 0.534 0.800 0.600 N 1.028 Z: 11 5.906 1.379 0.364 0.864 0.900 0.700 CA 0.809 11 residues pruned to eliminate duplicates Z: 11 16.173 1.803 0.807 0.909 1.000 0.700 CB 1.114 11 residues pruned to eliminate duplicates Z: 14 10.805 1.641 0.795 0.542 0.846 0.846 CB 1.154 14 residues pruned to eliminate duplicates Z: 8 3.438 1.481 0.289 0.408 0.714 0.429 CB 1.049 Z: 13 10.998 1.738 0.570 0.531 1.000 0.667 CB 1.128 12 residues pruned to eliminate duplicates Z: 49 41.051 1.856 0.801 0.910 0.979 0.750 CB 1.283 49 residues pruned to eliminate duplicates Z: 6 4.970 1.459 0.577 0.529 0.800 0.600 CB 1.174 6 residues pruned to eliminate duplicates Z: 19 11.924 1.546 0.558 0.562 0.944 0.611 CA 1.163 19 residues pruned to eliminate duplicates Z: 6 10.550 1.874 0.592 0.595 1.000 0.800 CA 1.445 Z: 15 14.708 1.844 0.740 0.485 1.000 0.714 CB 1.244 15 residues pruned to eliminate duplicates Z: 10 4.644 1.564 0.287 0.427 0.667 0.444 N 1.245 Z: 14 9.526 1.796 0.487 0.742 0.923 0.692 CB 0.863 14 residues pruned to eliminate duplicates Z: 16 14.477 1.620 0.583 0.879 0.867 0.333 CB 1.220 16 residues pruned to eliminate duplicates Z: 10 19.722 1.888 1.111 0.905 1.000 0.889 CB 1.174 10 residues pruned to eliminate duplicates Z: 7 3.337 1.390 0.529 0.640 0.500 0.333 CB 1.125 Z: 24 9.218 1.614 0.612 0.273 0.783 0.391 N 1.221 24 residues pruned to eliminate duplicates Z: 9 3.828 1.478 0.330 0.490 0.750 0.375 CB 0.928 6 residues pruned to eliminate duplicates Z: 10 3.483 1.431 0.097 0.493 0.778 0.556 CB 0.957 Z: 15 14.451 1.765 0.515 0.837 1.000 0.714 CB 1.081 15 residues pruned to eliminate duplicates Z: 6 3.446 1.533 0.101 0.596 1.000 0.800 CB 0.833 Z: 6 6.624 1.555 0.564 0.805 1.000 0.400 CA 0.933 Z: 6 7.102 1.700 0.841 0.486 0.800 0.400 CB 1.286 11 residues pruned to eliminate duplicates Z: 9 4.746 1.641 -0.061 0.479 0.875 0.625 CB 1.271 9 residues pruned to eliminate duplicates Z: 10 4.477 1.435 0.515 0.457 0.889 0.444 CB 0.806 7 residues pruned to eliminate duplicates Z: 11 4.785 1.252 0.519 0.413 0.800 0.500 CB 1.089 Z: 10 8.311 1.551 0.802 0.856 1.000 0.778 CB 0.731 Z: 8 5.735 1.752 -0.059 0.694 0.857 0.714 CB 1.285 8 residues pruned to eliminate duplicates Z: 8 5.892 1.699 0.135 0.491 1.000 0.571 CA 1.166 8 residues pruned to eliminate duplicates Z: 14 6.502 1.622 0.500 0.357 0.769 0.538 CB 1.125 5 residues pruned to eliminate duplicates Z: 6 5.917 1.609 0.590 0.655 0.800 0.600 N 1.120 Z: 7 5.052 1.578 0.560 0.414 1.000 0.333 CA 0.916 Z: 6 4.732 1.613 -0.138 0.809 1.000 1.000 CB 1.163 Z: 15 22.779 1.871 1.045 0.914 1.000 0.786 CB 1.126 15 residues pruned to eliminate duplicates Z: 11 6.109 1.393 0.633 0.718 0.700 0.400 CA 0.996 11 residues pruned to eliminate duplicates Z: 20 19.556 1.823 0.860 0.625 1.000 0.842 CB 1.176 19 residues pruned to eliminate duplicates Z: 11 13.232 1.601 0.776 0.886 0.900 0.700 CB 1.180 6 residues pruned to eliminate duplicates Z: 13 13.989 1.641 0.797 0.913 1.000 1.000 CA 0.969 15 residues pruned to eliminate duplicates Z: 11 18.753 1.875 0.724 0.903 1.000 0.700 CB 1.308 11 residues pruned to eliminate duplicates Z: 10 6.423 1.684 0.203 0.556 0.778 0.667 N 1.286 Z: 10 10.416 1.577 0.928 0.655 0.889 0.556 CB 1.113 9 residues pruned to eliminate duplicates Z: 7 2.912 1.478 -0.128 0.609 0.833 0.667 C 0.998 Z: 15 14.024 1.837 0.813 0.523 0.857 0.786 CB 1.284 15 residues pruned to eliminate duplicates Z: 25 20.414 1.930 0.585 0.589 0.958 0.833 CB 1.305 25 residues pruned to eliminate duplicates Z: 15 3.879 1.343 0.459 0.236 0.786 0.500 CB 0.915 12 residues pruned to eliminate duplicates Z: 8 7.885 1.616 0.402 0.567 1.000 0.571 CA 1.233 Z: 8 2.921 1.336 0.171 0.467 0.857 0.286 C 0.852 Z: 17 12.198 1.598 0.735 0.531 0.938 0.625 CB 1.137 17 residues pruned to eliminate duplicates 6 0.944 1.375 0.022 0.351 0.800 0.400 CB 0.442 ? Z: 24 19.354 1.881 0.563 0.572 0.957 0.739 CB 1.339 24 residues pruned to eliminate duplicates 6 1.986 1.383 0.521 0.468 0.600 0.400 N 0.727 ? Z: 10 11.850 1.616 0.909 0.877 0.778 0.333 CA 1.196 10 residues pruned to eliminate duplicates Z: 20 9.734 1.581 0.585 0.402 0.789 0.474 CB 1.251 28 residues pruned to eliminate duplicates Z: 12 12.213 1.734 0.781 0.411 1.000 0.636 CA 1.309 12 residues pruned to eliminate duplicates Z: 6 4.041 1.637 0.454 0.354 0.800 0.600 CB 1.111 Z: 14 12.404 1.629 0.805 0.597 0.923 0.769 CB 1.156 14 residues pruned to eliminate duplicates Z: 13 5.554 1.540 0.383 0.348 0.750 0.500 N 1.184 13 residues pruned to eliminate duplicates Z: 30 33.219 1.869 1.135 0.913 1.000 0.448 CB 1.094 30 residues pruned to eliminate duplicates Z: 15 8.603 1.616 0.894 0.521 0.786 0.643 CA 0.937 10 residues pruned to eliminate duplicates Z: 11 21.205 1.840 1.234 0.916 1.000 0.400 CB 1.152 11 residues pruned to eliminate duplicates Z: 16 20.708 1.988 0.627 0.784 0.933 0.533 CB 1.380 16 residues pruned to eliminate duplicates Z: 6 7.034 1.635 0.431 0.816 1.000 0.800 CB 1.022 6 residues pruned to eliminate duplicates Z: 6 2.312 1.330 0.489 0.359 1.000 0.400 CB 0.608 Z: 6 3.235 1.243 0.488 0.471 0.800 0.200 CB 1.006 Z: 8 3.850 1.538 0.100 0.475 0.857 0.571 CB 1.029 5 residues pruned to eliminate duplicates Z: 18 7.157 1.492 0.186 0.463 0.882 0.588 CA 1.154 Z: 9 6.879 1.555 0.748 0.457 0.875 0.500 CA 1.068 10 residues pruned to eliminate duplicates Z: 8 11.135 1.801 0.751 0.667 0.857 0.714 CA 1.334 8 residues pruned to eliminate duplicates Z: 9 11.659 1.544 0.998 0.604 1.000 0.875 CA 1.211 9 residues pruned to eliminate duplicates Z: 10 15.825 1.801 0.677 0.788 1.000 1.000 CA 1.356 10 residues pruned to eliminate duplicates Z: 42 30.676 1.913 0.780 0.562 1.000 0.683 CB 1.325 42 residues pruned to eliminate duplicates 6 1.727 1.404 0.795 0.743 1.000 0.600 CB 0.247 ? Z: 7 3.566 1.354 0.409 0.353 1.000 0.667 CB 0.895 7 residues pruned to eliminate duplicates Z: 8 5.386 1.565 -0.077 0.874 1.000 0.714 CB 1.025 Z: 26 18.037 1.744 0.810 0.570 0.880 0.680 CA 1.213 22 residues pruned to eliminate duplicates Z: 9 10.707 1.456 1.232 0.878 1.000 0.875 CB 0.846 9 residues pruned to eliminate duplicates Z: 12 6.512 1.614 0.815 0.482 0.636 0.455 N 1.073 12 residues pruned to eliminate duplicates Z: 18 6.026 1.391 0.506 0.295 0.824 0.588 N 1.065 10 residues pruned to eliminate duplicates Z: 14 10.220 1.778 0.406 0.815 1.000 0.615 CB 0.863 14 residues pruned to eliminate duplicates Z: 34 25.827 1.832 0.886 0.627 0.939 0.485 CB 1.230 34 residues pruned to eliminate duplicates Z: 34 26.540 1.760 0.647 0.873 0.939 0.667 CB 1.235 34 residues pruned to eliminate duplicates Z: 6 3.356 1.532 0.471 0.608 0.800 0.600 CB 0.751 6 residues pruned to eliminate duplicates Z: 6 3.475 1.648 0.918 0.100 0.600 0.600 CA 1.366 Z: 53 26.589 1.823 0.589 0.526 0.942 0.635 CA 1.317 53 residues pruned to eliminate duplicates Z: 8 7.647 1.655 0.725 0.570 0.857 0.571 N 1.104 Z: 6 3.689 1.477 0.480 0.696 0.800 0.600 CB 0.789 7 residues pruned to eliminate duplicates Z: 12 6.216 1.512 0.433 0.450 0.909 0.636 CB 1.001 Z: 7 11.714 1.934 0.725 0.497 1.000 0.833 CA 1.439 8 residues pruned to eliminate duplicates Z: 8 4.914 1.364 0.669 0.410 1.000 0.286 N 0.897 6 residues pruned to eliminate duplicates Z: 6 5.642 1.302 1.037 0.610 0.800 0.400 N 1.071 6 residues pruned to eliminate duplicates Z: 7 12.411 1.698 0.755 0.673 1.000 0.833 N 1.450 7 residues pruned to eliminate duplicates Z: 28 15.151 1.732 0.626 0.526 0.926 0.630 CB 1.090 28 residues pruned to eliminate duplicates Z: 13 5.752 1.561 0.424 0.295 0.750 0.250 O 1.253 13 residues pruned to eliminate duplicates Z: 14 6.561 1.670 0.403 0.337 0.769 0.308 CB 1.206 14 residues pruned to eliminate duplicates Z: 16 16.975 1.780 0.705 0.905 0.933 0.800 CA 1.101 16 residues pruned to eliminate duplicates Z: 10 13.052 1.708 1.001 0.885 0.889 0.667 CA 1.034 10 residues pruned to eliminate duplicates Z: 12 9.376 1.571 0.321 0.536 1.000 0.545 CA 1.315 18 residues pruned to eliminate duplicates Z: 14 15.401 1.866 0.667 0.832 0.923 0.769 CB 1.117 14 residues pruned to eliminate duplicates Z: 13 13.219 1.600 0.778 0.784 0.917 0.417 CB 1.139 11 residues pruned to eliminate duplicates Z: 12 10.829 1.656 0.453 0.639 0.909 0.545 CA 1.311 12 residues pruned to eliminate duplicates Z: 23 23.953 1.924 0.861 0.609 0.909 0.682 CB 1.416 23 residues pruned to eliminate duplicates Z: 8 4.149 1.519 0.050 0.532 1.000 0.429 CB 0.953 Z: 15 19.554 1.796 0.436 0.946 1.000 0.929 CB 1.401 15 residues pruned to eliminate duplicates Z: 6 8.440 1.591 0.466 0.856 1.000 1.000 CA 1.193 6 residues pruned to eliminate duplicates Z: 10 8.800 1.660 0.790 0.457 0.889 0.667 CB 1.160 5 residues pruned to eliminate duplicates Z: 21 18.295 1.782 1.102 0.585 0.900 0.700 CA 1.118 21 residues pruned to eliminate duplicates Z: 51 33.787 1.879 0.767 0.600 0.960 0.720 CB 1.363 51 residues pruned to eliminate duplicates Z: 7 3.410 1.639 0.441 0.317 0.833 0.333 CB 0.865 Z: 11 4.464 1.375 0.298 0.480 0.900 0.500 CB 0.897 Z: 12 15.394 1.703 0.714 0.908 1.000 0.818 CB 1.130 13 residues pruned to eliminate duplicates Z: 9 3.029 1.324 0.361 0.268 0.750 0.250 C 1.031 Z: 15 19.163 1.871 0.745 0.867 1.000 0.714 CB 1.148 15 residues pruned to eliminate duplicates Z: 11 11.776 1.636 0.734 0.700 0.900 0.700 CB 1.216 10 residues pruned to eliminate duplicates Z: 10 15.127 1.812 0.785 0.664 1.000 0.667 CB 1.339 20 residues pruned to eliminate duplicates Z: 10 18.420 1.748 1.155 0.872 1.000 1.000 N 1.188 10 residues pruned to eliminate duplicates Z: 15 7.138 1.578 0.539 0.323 0.857 0.214 CB 1.114 15 residues pruned to eliminate duplicates Z: 14 20.110 1.800 0.626 0.898 1.000 0.769 CB 1.364 14 residues pruned to eliminate duplicates Z: 10 9.239 1.683 0.910 0.699 0.889 0.889 CB 0.899 9 residues pruned to eliminate duplicates Z: 9 7.459 1.486 0.695 0.489 0.875 0.500 CA 1.210 Z: 35 28.008 1.823 0.802 0.702 1.000 0.794 CA 1.216 42 residues pruned to eliminate duplicates Z: 32 28.450 1.821 0.756 0.894 1.000 0.774 CB 1.146 32 residues pruned to eliminate duplicates Z: 16 9.762 1.640 0.711 0.499 0.800 0.533 CA 1.124 16 residues pruned to eliminate duplicates Z: 8 13.110 1.718 0.630 0.818 1.000 0.714 CB 1.343 8 residues pruned to eliminate duplicates Z: 6 3.303 1.379 0.027 0.633 1.000 0.600 CB 0.921 Z: 6 4.736 1.488 1.014 0.853 0.800 0.600 CB 0.653 Z: 7 13.248 1.850 1.130 0.783 1.000 1.000 CA 1.070 9 residues pruned to eliminate duplicates Z: 7 3.724 1.403 0.375 0.566 0.833 0.667 CB 0.887 Z: 8 6.774 1.825 0.109 0.839 1.000 0.571 CB 0.945 8 residues pruned to eliminate duplicates Z: 20 14.702 1.672 0.726 0.492 0.895 0.526 CA 1.317 11 residues pruned to eliminate duplicates Z: 14 11.908 1.865 0.384 0.550 0.846 0.538 CB 1.441 14 residues pruned to eliminate duplicates Z: 12 9.154 1.700 0.433 0.743 0.909 0.636 CA 1.003 12 residues pruned to eliminate duplicates Z: 9 10.428 1.709 0.548 0.650 1.000 0.625 CB 1.211 9 residues pruned to eliminate duplicates Z: 7 5.537 1.479 0.784 0.555 1.000 0.833 CA 0.812 7 residues pruned to eliminate duplicates Z: 7 2.648 1.459 0.090 0.314 1.000 0.333 CB 0.835 7 residues pruned to eliminate duplicates Z: 11 15.332 1.737 0.864 0.862 0.900 0.800 CB 1.222 11 residues pruned to eliminate duplicates Z: 8 12.771 1.707 0.859 0.789 1.000 1.000 CA 1.180 Z: 20 8.833 1.590 0.495 0.358 0.789 0.526 CB 1.259 20 residues pruned to eliminate duplicates 562 residues left after pruning, divided into chains as follows: A: 11 B: 14 C: 17 D: 49 E: 29 F: 8 G: 61 H: 9 I: 14 J: 10 K: 15 L: 6 M: 38 N: 25 O: 12 P: 137 Q: 8 R: 12 S: 8 T: 9 U: 6 V: 9 W: 55 CC for partial structure against native data = 39.14 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.402, Connect. = 0.699 for dens.mod. cycle 1 = 0.300, Contrast = 0.460, Connect. = 0.722 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.557, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.566, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.571, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.575, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.578, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.581, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.583, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2558 peaks > 0.5 sigma used to seed fragment search Space for about 763 unique residues taking solvent into account 635 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 34 33.909 1.932 0.610 0.884 1.000 0.758 CA 1.370 B: 13 17.037 1.928 0.830 0.586 0.917 0.833 CB 1.401 C: 18 36.546 1.957 1.191 0.926 1.000 0.706 CB 1.451 4 residues pruned to eliminate duplicates D: 17 29.788 1.896 1.141 0.908 1.000 0.812 CA 1.303 17 residues pruned to eliminate duplicates E: 13 15.619 1.796 0.410 0.922 0.917 0.833 CB 1.366 F: 18 26.725 2.077 0.645 0.805 1.000 0.706 CA 1.454 G: 17 20.847 2.111 0.403 0.773 0.938 0.688 CB 1.475 17 residues pruned to eliminate duplicates H: 47 44.453 1.995 0.768 0.922 1.000 0.891 CA 1.307 48 residues pruned to eliminate duplicates I: 11 19.582 2.001 0.630 0.919 1.000 0.800 CB 1.338 11 residues pruned to eliminate duplicates J: 17 13.861 1.757 0.749 0.573 0.938 0.750 CB 1.122 K: 16 28.828 2.153 0.804 0.811 0.933 0.600 CA 1.566 17 residues pruned to eliminate duplicates L: 12 12.754 1.833 0.254 0.875 0.909 0.818 CA 1.338 12 residues pruned to eliminate duplicates M: 19 21.119 1.967 0.599 0.799 0.944 0.722 CB 1.291 18 residues pruned to eliminate duplicates N: 35 40.089 1.984 0.884 0.914 0.971 0.912 CA 1.341 35 residues pruned to eliminate duplicates O: 9 5.198 1.557 -0.018 0.746 0.875 0.750 CA 1.103 9 residues pruned to eliminate duplicates P: 47 39.793 1.959 0.604 0.921 1.000 0.957 CA 1.313 47 residues pruned to eliminate duplicates Q: 11 23.975 1.990 0.906 0.902 1.000 0.900 CB 1.426 R: 49 40.804 1.890 0.714 0.882 0.979 0.729 CB 1.344 49 residues pruned to eliminate duplicates S: 31 24.818 1.925 0.337 0.907 0.967 0.900 CA 1.294 31 residues pruned to eliminate duplicates T: 13 14.857 1.969 0.681 0.579 0.833 0.667 CA 1.442 14 residues pruned to eliminate duplicates U: 12 19.971 2.006 0.949 0.568 0.909 0.636 CA 1.586 12 residues pruned to eliminate duplicates V: 10 20.325 2.048 0.844 0.916 1.000 0.667 CB 1.267 10 residues pruned to eliminate duplicates W: 14 17.581 1.623 0.992 0.899 1.000 0.538 CA 1.078 X: 45 25.845 1.960 0.718 0.485 0.841 0.500 CB 1.397 18 residues pruned to eliminate duplicates Y: 17 15.848 1.875 0.311 0.850 1.000 0.688 CA 1.194 Z: 11 19.671 1.988 0.772 0.835 1.000 0.700 CB 1.323 11 residues pruned to eliminate duplicates Z: 19 10.895 1.749 0.538 0.375 0.944 0.500 CB 1.156 Z: 14 12.990 1.762 0.671 0.500 1.000 0.462 CB 1.223 Z: 13 11.249 1.723 0.593 0.478 0.917 0.750 CB 1.319 Z: 7 8.541 1.778 0.681 0.555 0.833 0.833 N 1.327 Z: 16 19.517 1.904 0.377 0.918 1.000 0.800 CB 1.355 17 residues pruned to eliminate duplicates Z: 44 26.738 1.976 0.505 0.503 0.907 0.628 CA 1.507 24 residues pruned to eliminate duplicates Z: 13 13.854 1.842 0.325 0.877 1.000 0.917 CA 1.190 Z: 65 33.964 2.015 0.493 0.519 0.953 0.641 CA 1.454 76 residues pruned to eliminate duplicates Z: 13 18.457 1.841 0.464 0.848 1.000 0.750 CA 1.466 13 residues pruned to eliminate duplicates Z: 42 29.717 1.933 0.662 0.723 0.951 0.659 CA 1.242 42 residues pruned to eliminate duplicates Z: 18 11.531 1.797 0.561 0.415 1.000 0.647 CB 1.090 18 residues pruned to eliminate duplicates Z: 7 11.760 2.108 0.509 0.520 1.000 0.500 CA 1.480 7 residues pruned to eliminate duplicates Z: 13 15.709 1.838 0.528 0.887 1.000 0.833 CA 1.165 13 residues pruned to eliminate duplicates Z: 10 9.747 1.638 0.509 0.901 1.000 0.778 CB 0.938 Z: 10 15.824 1.900 0.509 0.887 1.000 0.889 CA 1.326 10 residues pruned to eliminate duplicates Z: 15 27.123 1.916 0.812 0.930 1.000 0.857 CA 1.461 Z: 30 31.096 1.919 0.907 0.837 0.966 0.724 CB 1.222 30 residues pruned to eliminate duplicates Z: 15 21.186 1.842 0.803 0.845 0.929 0.643 CB 1.365 15 residues pruned to eliminate duplicates Z: 11 11.955 1.759 0.890 0.628 1.000 0.700 CB 1.008 Z: 15 15.156 1.963 0.499 0.570 1.000 0.643 CB 1.286 17 residues pruned to eliminate duplicates Z: 17 18.365 1.830 0.685 0.662 1.000 0.875 CA 1.281 17 residues pruned to eliminate duplicates Z: 14 22.648 1.941 0.633 0.887 1.000 0.769 CB 1.428 11 residues pruned to eliminate duplicates Z: 15 28.247 1.944 1.013 0.864 0.929 0.786 CB 1.524 15 residues pruned to eliminate duplicates Z: 16 28.479 2.013 1.041 0.915 0.933 0.867 CB 1.356 16 residues pruned to eliminate duplicates Z: 14 26.566 1.964 0.733 0.892 1.000 0.846 CB 1.555 14 residues pruned to eliminate duplicates Z: 35 30.731 2.082 0.518 0.643 1.000 0.794 CA 1.459 35 residues pruned to eliminate duplicates Z: 15 10.039 1.774 0.485 0.398 1.000 0.571 CB 1.135 Z: 12 11.263 1.843 0.455 0.752 0.818 0.818 CA 1.236 Z: 35 34.954 1.924 0.751 0.894 0.941 0.618 CB 1.357 35 residues pruned to eliminate duplicates Z: 16 35.194 2.047 1.218 0.929 1.000 0.867 CB 1.400 17 residues pruned to eliminate duplicates Z: 17 31.044 1.973 1.171 0.889 0.938 0.688 CA 1.391 17 residues pruned to eliminate duplicates Z: 14 19.454 1.806 0.527 0.859 1.000 0.846 CB 1.439 13 residues pruned to eliminate duplicates Z: 11 17.650 1.873 0.525 0.877 1.000 0.900 CB 1.419 Z: 16 13.036 1.890 0.511 0.508 0.933 0.600 CB 1.253 16 residues pruned to eliminate duplicates Z: 11 12.572 1.729 0.383 0.880 1.000 0.800 CB 1.205 11 residues pruned to eliminate duplicates Z: 9 4.405 1.502 0.145 0.490 0.875 0.500 CB 1.045 Z: 15 23.418 1.923 0.629 0.862 0.929 0.857 CB 1.580 15 residues pruned to eliminate duplicates Z: 15 22.913 1.849 0.840 0.835 1.000 0.786 CB 1.348 15 residues pruned to eliminate duplicates Z: 9 12.563 1.765 0.639 0.635 1.000 0.875 CA 1.353 Z: 15 17.186 1.924 0.363 0.891 0.929 0.929 CA 1.356 15 residues pruned to eliminate duplicates Z: 18 23.985 2.072 0.590 0.842 0.941 0.706 CB 1.398 18 residues pruned to eliminate duplicates Z: 15 16.637 1.824 0.676 0.813 0.857 0.500 CA 1.292 12 residues pruned to eliminate duplicates Z: 13 19.024 1.890 0.665 0.924 1.000 0.833 CA 1.226 13 residues pruned to eliminate duplicates Z: 16 30.296 1.998 1.139 0.915 1.000 0.800 CB 1.293 16 residues pruned to eliminate duplicates Z: 14 13.167 1.874 0.443 0.559 1.000 0.615 CB 1.275 Z: 11 4.934 1.785 0.104 0.379 0.800 0.300 CB 1.125 11 residues pruned to eliminate duplicates Z: 15 24.071 1.811 0.929 0.851 0.929 0.643 N 1.469 15 residues pruned to eliminate duplicates Z: 8 6.473 1.811 0.338 0.334 0.857 0.429 CA 1.412 8 residues pruned to eliminate duplicates Z: 16 22.028 1.852 0.830 0.908 1.000 0.933 CB 1.191 Z: 12 12.668 1.802 0.468 0.909 1.000 0.909 CA 1.025 Z: 15 13.897 1.924 0.454 0.503 1.000 0.714 CA 1.324 15 residues pruned to eliminate duplicates Z: 46 27.939 2.008 0.522 0.527 0.956 0.733 CA 1.388 46 residues pruned to eliminate duplicates Z: 17 23.240 1.868 0.665 0.886 1.000 0.750 CA 1.348 17 residues pruned to eliminate duplicates Z: 22 19.960 1.819 0.419 0.847 0.952 0.857 CB 1.315 16 residues pruned to eliminate duplicates Z: 17 26.388 2.072 0.729 0.842 0.938 0.812 CA 1.464 17 residues pruned to eliminate duplicates Z: 19 23.015 1.841 0.961 0.798 0.944 0.833 CB 1.226 19 residues pruned to eliminate duplicates Z: 46 38.497 1.973 0.615 0.941 1.000 0.911 CA 1.250 46 residues pruned to eliminate duplicates Z: 26 21.661 1.817 0.823 0.561 0.920 0.640 CB 1.340 26 residues pruned to eliminate duplicates Z: 15 29.442 1.903 0.959 0.927 1.000 0.857 N 1.480 15 residues pruned to eliminate duplicates Z: 14 15.155 1.752 0.466 0.794 1.000 0.615 CB 1.264 14 residues pruned to eliminate duplicates Z: 14 13.679 1.660 0.707 0.864 0.923 0.692 CB 1.064 14 residues pruned to eliminate duplicates Z: 6 3.499 1.708 0.306 0.713 0.800 0.600 CB 0.723 Z: 11 7.728 1.679 0.679 0.303 0.800 0.600 CB 1.350 Z: 16 21.456 1.965 0.667 0.836 0.933 0.667 CB 1.356 16 residues pruned to eliminate duplicates Z: 9 9.803 1.700 1.002 0.654 0.750 0.750 CA 1.176 Z: 16 20.370 1.937 0.549 0.814 0.933 0.667 CA 1.429 16 residues pruned to eliminate duplicates Z: 42 25.497 1.900 0.607 0.636 0.976 0.634 CB 1.177 68 residues pruned to eliminate duplicates Z: 9 9.256 1.679 1.024 0.539 0.750 0.750 CB 1.236 9 residues pruned to eliminate duplicates Z: 16 32.972 2.005 1.178 0.938 1.000 0.933 CA 1.356 16 residues pruned to eliminate duplicates Z: 14 27.295 1.953 0.758 0.924 1.000 0.923 CB 1.549 14 residues pruned to eliminate duplicates Z: 9 10.407 1.888 0.329 0.847 1.000 1.000 CA 1.088 9 residues pruned to eliminate duplicates Z: 11 16.214 1.954 0.708 0.785 0.900 0.600 CA 1.329 11 residues pruned to eliminate duplicates Z: 17 22.131 2.059 0.553 0.828 0.938 0.750 CA 1.390 17 residues pruned to eliminate duplicates Z: 26 31.876 1.945 0.799 0.776 1.000 0.880 CA 1.428 26 residues pruned to eliminate duplicates Z: 10 7.607 1.804 0.094 0.500 0.889 0.667 CB 1.447 10 residues pruned to eliminate duplicates Z: 47 49.765 1.979 0.866 0.922 1.000 0.804 CA 1.398 48 residues pruned to eliminate duplicates Z: 8 12.423 1.763 1.187 0.615 0.714 0.714 CB 1.529 9 residues pruned to eliminate duplicates Z: 15 24.683 1.898 0.719 0.934 1.000 0.857 CB 1.410 15 residues pruned to eliminate duplicates Z: 31 28.677 2.082 0.580 0.593 0.933 0.500 CB 1.560 31 residues pruned to eliminate duplicates Z: 10 11.468 1.623 0.732 0.649 1.000 0.667 CA 1.184 Z: 13 10.719 1.666 0.399 0.894 1.000 0.833 CA 0.953 13 residues pruned to eliminate duplicates 7 1.100 1.526 0.511 0.381 0.833 0.333 CB 0.265 ? Z: 18 13.650 1.655 1.011 0.414 0.882 0.529 CB 1.233 Z: 11 17.881 2.106 0.719 0.704 0.800 0.800 CB 1.622 11 residues pruned to eliminate duplicates Z: 9 8.035 1.884 0.934 0.304 0.750 0.500 CB 1.292 9 residues pruned to eliminate duplicates Z: 16 25.074 1.959 0.747 0.835 1.000 0.733 CB 1.417 16 residues pruned to eliminate duplicates Z: 13 6.953 1.642 0.533 0.411 0.833 0.500 CB 1.051 13 residues pruned to eliminate duplicates Z: 15 19.009 1.864 0.654 0.803 1.000 0.643 CB 1.265 15 residues pruned to eliminate duplicates Z: 16 23.061 2.024 0.737 0.829 0.933 0.600 CB 1.365 16 residues pruned to eliminate duplicates Z: 12 16.797 2.014 0.554 0.889 0.818 0.727 CB 1.423 12 residues pruned to eliminate duplicates Z: 16 18.008 1.958 0.541 0.842 0.867 0.867 CA 1.324 16 residues pruned to eliminate duplicates Z: 6 2.816 1.552 0.278 0.414 0.600 0.400 N 1.158 Z: 15 14.252 1.940 0.430 0.488 0.929 0.714 CB 1.496 15 residues pruned to eliminate duplicates Z: 7 5.110 1.648 0.592 0.662 0.667 0.667 CA 1.026 7 residues pruned to eliminate duplicates Z: 17 18.484 1.939 0.655 0.666 1.000 0.812 CA 1.235 25 residues pruned to eliminate duplicates Z: 24 23.314 1.891 0.566 0.898 1.000 0.783 CA 1.174 24 residues pruned to eliminate duplicates Z: 13 9.679 1.926 -0.111 0.918 0.917 0.917 CB 1.256 13 residues pruned to eliminate duplicates Z: 16 18.921 1.973 0.479 0.809 0.867 0.800 CA 1.476 16 residues pruned to eliminate duplicates Z: 14 11.492 1.640 0.403 0.823 1.000 0.615 CA 1.048 12 residues pruned to eliminate duplicates Z: 15 20.430 1.872 0.719 0.835 1.000 0.786 CB 1.271 15 residues pruned to eliminate duplicates Z: 30 18.562 1.797 0.520 0.582 0.966 0.690 CA 1.208 30 residues pruned to eliminate duplicates Z: 11 14.141 1.925 0.524 0.875 0.900 0.700 CA 1.232 13 residues pruned to eliminate duplicates Z: 11 15.601 2.037 0.344 0.912 1.000 1.000 CA 1.276 11 residues pruned to eliminate duplicates Z: 27 16.990 1.749 0.622 0.470 0.885 0.654 CB 1.370 Z: 10 11.946 1.962 0.522 0.520 1.000 0.556 CB 1.307 10 residues pruned to eliminate duplicates Z: 14 22.011 1.770 0.724 0.870 1.000 0.692 CA 1.460 14 residues pruned to eliminate duplicates Z: 11 7.839 1.867 0.561 0.439 0.800 0.500 CB 1.132 Z: 16 21.847 1.963 0.619 0.844 0.933 0.333 CA 1.416 16 residues pruned to eliminate duplicates Z: 47 39.862 1.970 0.640 0.925 1.000 0.870 CA 1.277 47 residues pruned to eliminate duplicates Z: 11 14.788 1.992 0.743 0.574 0.900 0.600 CA 1.395 11 residues pruned to eliminate duplicates Z: 6 5.487 1.559 -0.033 0.765 1.000 0.800 O 1.286 Z: 8 12.232 1.775 0.771 0.727 1.000 0.714 CB 1.199 Z: 10 6.404 1.659 0.216 0.447 0.889 0.778 CB 1.257 Z: 13 14.155 1.757 0.569 0.899 1.000 0.833 CA 1.060 13 residues pruned to eliminate duplicates Z: 8 6.350 1.493 0.549 0.605 0.857 0.714 CA 1.096 7 residues pruned to eliminate duplicates Z: 16 24.752 1.968 0.737 0.836 0.933 0.267 CB 1.499 16 residues pruned to eliminate duplicates Z: 13 11.477 1.764 0.691 0.523 0.917 0.833 CB 1.185 13 residues pruned to eliminate duplicates Z: 11 12.866 1.820 0.294 0.906 1.000 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 16 30.112 1.927 1.211 0.911 0.933 0.667 CB 1.387 16 residues pruned to eliminate duplicates Z: 15 9.466 1.633 0.480 0.389 0.857 0.500 N 1.373 15 residues pruned to eliminate duplicates Z: 15 17.736 1.848 0.646 0.827 0.929 0.643 CA 1.265 15 residues pruned to eliminate duplicates Z: 11 9.827 1.635 0.796 0.572 0.800 0.600 CB 1.233 8 residues pruned to eliminate duplicates Z: 12 5.904 1.553 0.542 0.367 0.818 0.455 CB 1.048 12 residues pruned to eliminate duplicates Z: 7 6.865 1.626 0.294 0.789 1.000 0.833 CA 1.034 Z: 18 28.816 2.059 0.850 0.847 0.941 0.588 CB 1.447 18 residues pruned to eliminate duplicates Z: 8 5.480 1.659 0.596 0.488 0.857 0.571 CA 0.924 Z: 15 26.686 1.910 1.017 0.928 1.000 0.786 CB 1.297 15 residues pruned to eliminate duplicates Z: 11 19.981 1.896 0.774 0.911 1.000 0.800 CB 1.331 11 residues pruned to eliminate duplicates Z: 8 9.970 1.910 0.386 0.847 0.857 0.714 CB 1.233 8 residues pruned to eliminate duplicates Z: 14 27.962 1.958 0.838 0.934 1.000 0.692 CB 1.502 15 residues pruned to eliminate duplicates Z: 18 11.070 1.635 0.826 0.489 0.824 0.647 CB 1.105 18 residues pruned to eliminate duplicates Z: 21 16.665 1.684 0.798 0.719 1.000 0.800 CA 1.010 Z: 16 22.177 1.957 0.751 0.840 0.933 0.867 CA 1.336 16 residues pruned to eliminate duplicates Z: 9 8.288 1.753 0.582 0.653 0.875 0.750 CA 1.047 9 residues pruned to eliminate duplicates Z: 70 32.680 1.833 0.563 0.642 0.913 0.638 CA 1.317 78 residues pruned to eliminate duplicates Z: 10 3.206 1.548 0.505 0.359 0.667 0.444 CB 0.801 10 residues pruned to eliminate duplicates Z: 16 28.018 1.909 0.739 0.935 1.000 0.800 CB 1.519 16 residues pruned to eliminate duplicates Z: 32 26.042 1.995 0.504 0.603 0.968 0.710 CA 1.461 32 residues pruned to eliminate duplicates Z: 16 25.258 1.857 0.974 0.919 1.000 0.667 CB 1.254 16 residues pruned to eliminate duplicates Z: 17 5.426 1.637 0.188 0.329 0.688 0.438 CB 1.224 17 residues pruned to eliminate duplicates Z: 6 10.826 1.776 0.643 0.669 1.000 0.800 N 1.420 6 residues pruned to eliminate duplicates Z: 9 3.818 1.489 0.200 0.404 0.875 0.750 CB 0.955 9 residues pruned to eliminate duplicates Z: 7 11.953 1.799 0.843 0.574 1.000 1.000 CA 1.370 Z: 30 28.823 1.885 0.923 0.905 0.931 0.414 CB 1.129 30 residues pruned to eliminate duplicates Z: 11 13.308 1.822 0.692 0.894 0.900 0.700 CA 1.088 11 residues pruned to eliminate duplicates Z: 24 30.926 1.934 1.013 0.871 0.913 0.391 CB 1.323 24 residues pruned to eliminate duplicates Z: 26 14.765 1.660 0.566 0.472 1.000 0.400 CA 1.168 18 residues pruned to eliminate duplicates Z: 8 10.759 1.932 0.613 0.649 0.857 0.571 CA 1.325 8 residues pruned to eliminate duplicates Z: 32 17.836 1.741 0.758 0.455 0.968 0.548 CB 1.132 8 residues pruned to eliminate duplicates Z: 8 10.134 1.825 0.925 0.477 1.000 0.714 CB 1.116 11 residues pruned to eliminate duplicates Z: 47 47.915 2.008 0.866 0.929 1.000 0.739 CA 1.320 47 residues pruned to eliminate duplicates Z: 10 15.449 1.839 0.850 0.791 1.000 0.889 CB 1.172 Z: 25 15.286 1.815 0.406 0.566 1.000 0.750 CB 1.147 Z: 8 3.175 1.513 0.036 0.615 0.714 0.714 CB 0.961 Z: 11 13.638 1.847 0.495 0.835 0.900 0.400 CB 1.299 11 residues pruned to eliminate duplicates Z: 14 24.981 1.973 0.608 0.926 1.000 1.000 CA 1.531 14 residues pruned to eliminate duplicates Z: 13 17.390 1.930 0.367 0.934 1.000 1.000 CB 1.327 13 residues pruned to eliminate duplicates Z: 12 11.347 1.711 0.853 0.452 0.818 0.455 CB 1.385 9 residues pruned to eliminate duplicates Z: 8 5.668 1.639 0.376 0.425 1.000 0.429 CB 1.027 8 residues pruned to eliminate duplicates Z: 16 18.248 1.888 0.443 0.849 1.000 0.800 CB 1.282 16 residues pruned to eliminate duplicates Z: 13 17.231 1.916 0.683 0.924 1.000 0.917 CA 1.083 13 residues pruned to eliminate duplicates Z: 33 17.519 1.789 0.460 0.542 0.938 0.625 CA 1.213 25 residues pruned to eliminate duplicates Z: 20 25.523 1.950 0.846 0.653 0.947 0.737 CA 1.489 20 residues pruned to eliminate duplicates Z: 26 37.692 2.027 0.884 0.941 0.960 0.760 CB 1.427 26 residues pruned to eliminate duplicates Z: 13 17.523 1.766 0.593 0.831 1.000 0.750 CB 1.351 13 residues pruned to eliminate duplicates Z: 15 25.379 1.901 0.747 0.942 1.000 0.857 CA 1.416 15 residues pruned to eliminate duplicates Z: 12 8.542 1.695 0.739 0.452 0.727 0.636 CA 1.262 Z: 18 22.791 2.027 0.530 0.789 0.941 0.647 CA 1.469 18 residues pruned to eliminate duplicates Z: 22 12.873 1.659 0.686 0.451 0.905 0.619 CB 1.167 26 residues pruned to eliminate duplicates Z: 14 18.485 1.932 0.436 0.931 0.923 0.769 CA 1.399 14 residues pruned to eliminate duplicates Z: 14 21.393 2.029 0.495 0.908 1.000 0.692 CA 1.390 14 residues pruned to eliminate duplicates Z: 46 27.154 1.838 0.449 0.642 0.956 0.778 CA 1.393 46 residues pruned to eliminate duplicates Z: 22 29.584 1.874 0.968 0.832 1.000 0.810 CB 1.314 22 residues pruned to eliminate duplicates Z: 15 24.784 1.999 0.867 0.854 0.929 0.571 CB 1.412 15 residues pruned to eliminate duplicates Z: 18 17.676 1.873 0.555 0.573 1.000 0.765 CB 1.371 18 residues pruned to eliminate duplicates Z: 10 2.205 1.521 -0.127 0.417 0.667 0.333 CB 0.905 Z: 14 26.157 1.980 0.613 0.918 1.000 0.846 CB 1.602 14 residues pruned to eliminate duplicates Z: 10 13.502 1.858 0.688 0.849 0.889 0.444 CB 1.197 3 residues pruned to eliminate duplicates Z: 9 8.258 1.610 0.571 0.653 1.000 0.875 CB 1.001 10 residues pruned to eliminate duplicates Z: 6 4.984 1.749 -0.047 0.550 1.000 0.800 CB 1.273 Z: 14 11.077 1.699 0.748 0.437 0.923 0.538 CA 1.197 15 residues pruned to eliminate duplicates Z: 14 13.904 1.620 0.747 0.900 1.000 0.692 CA 0.973 14 residues pruned to eliminate duplicates Z: 15 10.766 1.706 0.576 0.630 0.929 0.500 CA 1.020 15 residues pruned to eliminate duplicates Z: 9 3.597 1.558 0.157 0.546 0.750 0.625 CB 0.899 9 residues pruned to eliminate duplicates Z: 19 7.703 1.605 0.442 0.359 0.778 0.444 CB 1.175 19 residues pruned to eliminate duplicates Z: 8 7.548 1.577 0.641 0.610 0.857 0.857 O 1.159 6 residues pruned to eliminate duplicates Z: 19 9.176 1.657 0.280 0.499 0.833 0.611 CB 1.225 19 residues pruned to eliminate duplicates Z: 12 5.905 1.594 0.794 0.283 0.636 0.455 N 1.249 12 residues pruned to eliminate duplicates Z: 12 8.896 1.608 0.326 0.883 1.000 0.909 CA 0.910 12 residues pruned to eliminate duplicates Z: 11 8.464 1.867 0.623 0.350 0.900 0.600 CB 1.155 10 residues pruned to eliminate duplicates Z: 12 10.007 1.660 0.561 0.874 0.818 0.455 CB 1.036 12 residues pruned to eliminate duplicates Z: 10 7.873 1.633 0.541 0.442 0.889 0.444 CB 1.245 10 residues pruned to eliminate duplicates Z: 12 24.667 1.955 1.114 0.885 0.909 0.273 CB 1.429 12 residues pruned to eliminate duplicates Z: 11 6.455 1.678 0.072 0.678 0.900 0.700 CB 1.071 Z: 26 30.485 2.119 0.662 0.637 0.960 0.560 CB 1.586 26 residues pruned to eliminate duplicates Z: 47 44.212 1.951 0.709 0.931 1.000 0.717 CA 1.366 47 residues pruned to eliminate duplicates Z: 12 15.837 1.661 0.626 0.845 1.000 0.727 CB 1.314 11 residues pruned to eliminate duplicates Z: 12 3.347 1.554 0.000 0.406 1.000 0.636 CB 0.717 6 residues pruned to eliminate duplicates Z: 7 7.378 1.605 0.548 0.738 1.000 0.667 CB 0.980 7 residues pruned to eliminate duplicates Z: 27 11.975 1.684 0.469 0.365 0.923 0.500 CB 1.190 27 residues pruned to eliminate duplicates Z: 14 15.076 1.676 0.858 0.859 0.923 0.615 CA 1.070 14 residues pruned to eliminate duplicates Z: 16 9.614 1.722 0.488 0.332 0.933 0.533 CB 1.248 16 residues pruned to eliminate duplicates Z: 15 22.671 1.910 0.673 0.920 1.000 0.929 CB 1.335 15 residues pruned to eliminate duplicates Z: 23 21.960 1.930 0.235 0.928 1.000 0.818 CA 1.376 Z: 9 6.200 1.478 0.179 0.880 1.000 0.875 CA 0.911 Z: 16 20.625 1.860 0.827 0.896 0.933 0.933 CB 1.203 16 residues pruned to eliminate duplicates Z: 51 26.636 1.846 0.537 0.591 0.960 0.620 CB 1.267 68 residues pruned to eliminate duplicates Z: 18 34.062 1.988 1.173 0.915 1.000 0.765 CB 1.351 18 residues pruned to eliminate duplicates Z: 16 6.544 1.705 0.625 0.301 0.667 0.400 CB 1.143 16 residues pruned to eliminate duplicates Z: 14 7.964 1.713 0.590 0.333 0.692 0.462 CB 1.406 14 residues pruned to eliminate duplicates Z: 17 24.670 1.866 1.106 0.888 0.875 0.562 CB 1.293 17 residues pruned to eliminate duplicates Z: 20 12.515 1.734 0.514 0.455 0.895 0.579 CA 1.279 20 residues pruned to eliminate duplicates Z: 30 22.669 1.982 0.544 0.550 0.931 0.517 CA 1.407 30 residues pruned to eliminate duplicates Z: 11 5.136 1.629 0.540 0.312 0.700 0.700 CB 1.139 6 residues pruned to eliminate duplicates Z: 12 18.568 1.819 0.609 0.832 1.000 0.455 CB 1.436 12 residues pruned to eliminate duplicates Z: 32 30.499 1.937 0.522 0.912 1.000 0.806 CA 1.316 32 residues pruned to eliminate duplicates Z: 17 13.067 1.837 0.596 0.516 0.875 0.688 CA 1.253 17 residues pruned to eliminate duplicates Z: 16 24.878 1.878 0.871 0.942 1.000 0.867 CB 1.268 16 residues pruned to eliminate duplicates Z: 15 21.501 1.865 0.786 0.865 1.000 0.857 CA 1.264 15 residues pruned to eliminate duplicates Z: 13 11.207 1.673 0.577 0.457 1.000 0.833 CB 1.282 13 residues pruned to eliminate duplicates Z: 12 12.849 1.782 0.366 0.865 1.000 0.818 CA 1.165 12 residues pruned to eliminate duplicates Z: 6 4.538 1.580 0.326 0.675 0.800 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 9 3.093 1.530 0.193 0.458 0.750 0.500 CB 0.834 Z: 29 18.513 1.772 0.635 0.585 0.964 0.750 CB 1.155 30 residues pruned to eliminate duplicates Z: 11 17.075 1.808 0.895 0.614 1.000 0.700 CA 1.414 65 residues pruned to eliminate duplicates Z: 19 9.623 1.787 0.578 0.244 0.889 0.333 CA 1.216 19 residues pruned to eliminate duplicates Z: 13 9.685 1.683 0.273 0.857 0.917 0.750 CA 1.049 13 residues pruned to eliminate duplicates Z: 13 8.735 1.784 0.598 0.340 0.833 0.667 CA 1.263 13 residues pruned to eliminate duplicates Z: 11 12.199 1.776 0.308 0.890 1.000 0.800 CA 1.195 11 residues pruned to eliminate duplicates Z: 7 5.596 1.546 0.470 0.649 0.833 0.500 CB 1.050 Z: 29 26.746 1.980 0.414 0.922 1.000 0.857 CA 1.270 29 residues pruned to eliminate duplicates Z: 7 5.517 1.613 0.459 0.351 0.833 0.333 CA 1.350 6 residues pruned to eliminate duplicates Z: 10 13.418 1.760 1.045 0.534 0.889 0.556 CA 1.353 10 residues pruned to eliminate duplicates Z: 6 3.263 1.639 0.056 0.466 0.800 0.800 CA 1.091 Z: 10 5.099 1.745 0.667 0.572 0.667 0.222 CB 0.817 10 residues pruned to eliminate duplicates Z: 13 5.641 1.548 0.514 0.343 0.667 0.417 N 1.236 Z: 12 15.196 1.886 0.389 0.891 1.000 1.000 CA 1.258 12 residues pruned to eliminate duplicates Z: 8 11.220 1.901 0.263 0.813 1.000 1.000 CA 1.345 8 residues pruned to eliminate duplicates Z: 16 10.790 1.806 0.629 0.464 0.933 0.600 CB 1.052 15 residues pruned to eliminate duplicates Z: 15 23.215 2.020 0.775 0.874 0.929 0.500 CB 1.356 15 residues pruned to eliminate duplicates Z: 11 11.761 1.751 0.486 0.852 1.000 0.800 CA 1.058 11 residues pruned to eliminate duplicates Z: 9 12.743 1.828 0.952 0.573 0.875 0.750 CA 1.345 11 residues pruned to eliminate duplicates Z: 9 8.709 1.606 0.725 0.680 0.875 0.750 CB 1.077 Z: 20 18.587 1.720 0.774 0.787 0.947 0.842 CA 1.146 21 residues pruned to eliminate duplicates Z: 12 10.622 1.551 0.916 0.484 0.818 0.545 N 1.339 Z: 8 2.908 1.526 0.544 0.414 0.714 0.571 CB 0.715 7 residues pruned to eliminate duplicates Z: 17 21.809 2.024 0.559 0.927 1.000 0.938 CA 1.211 17 residues pruned to eliminate duplicates Z: 10 3.666 1.494 0.222 0.385 0.667 0.333 CB 1.133 Z: 10 8.141 1.599 1.152 0.428 0.667 0.667 O 1.274 10 residues pruned to eliminate duplicates Z: 6 7.151 1.879 0.289 0.586 1.000 0.600 N 1.216 Z: 9 8.620 1.615 0.849 0.444 1.000 0.750 CB 1.081 Z: 18 8.564 1.735 0.348 0.529 0.765 0.588 CA 1.129 22 residues pruned to eliminate duplicates Z: 14 11.578 1.638 0.495 0.894 1.000 0.846 CA 0.941 14 residues pruned to eliminate duplicates Z: 11 7.828 1.694 0.644 0.368 0.900 0.500 CB 1.137 11 residues pruned to eliminate duplicates Z: 7 11.927 1.821 1.144 0.588 1.000 0.833 CB 1.146 7 residues pruned to eliminate duplicates Z: 14 19.423 1.958 0.507 0.804 1.000 0.615 CA 1.399 14 residues pruned to eliminate duplicates Z: 9 5.217 1.661 0.323 0.438 0.750 0.375 C 1.193 Z: 14 12.580 1.694 0.433 0.834 1.000 0.923 CB 1.077 14 residues pruned to eliminate duplicates Z: 49 40.160 1.890 0.743 0.884 0.958 0.646 CB 1.327 101 residues pruned to eliminate duplicates Z: 7 7.188 1.526 0.817 0.587 0.833 0.500 CA 1.168 Z: 18 28.004 1.918 0.964 0.884 0.941 0.824 CA 1.385 18 residues pruned to eliminate duplicates Z: 8 5.278 1.663 0.137 0.792 1.000 0.714 CB 0.817 6 residues pruned to eliminate duplicates Z: 28 32.280 1.975 0.768 0.914 1.000 0.667 CB 1.259 28 residues pruned to eliminate duplicates Z: 9 10.812 1.980 0.732 0.455 0.875 0.500 CA 1.334 19 residues pruned to eliminate duplicates Z: 9 15.932 1.837 0.854 0.759 1.000 0.750 CA 1.314 Z: 11 21.030 2.010 0.718 0.906 1.000 0.700 CB 1.369 11 residues pruned to eliminate duplicates Z: 6 3.783 1.695 -0.141 0.702 1.000 1.000 CB 0.967 6 residues pruned to eliminate duplicates Z: 8 3.836 1.599 0.005 0.441 0.857 0.429 O 1.119 8 residues pruned to eliminate duplicates Z: 13 17.741 1.719 0.525 0.882 1.000 0.917 CB 1.414 12 residues pruned to eliminate duplicates Z: 8 7.261 1.356 0.584 0.788 1.000 0.571 CA 0.991 7 residues pruned to eliminate duplicates Z: 16 11.026 1.735 0.573 0.452 1.000 0.667 CB 1.096 Z: 7 3.641 1.716 0.301 0.282 0.667 0.500 CA 1.277 7 residues pruned to eliminate duplicates Z: 41 32.684 2.021 0.538 0.685 1.000 0.775 CA 1.403 41 residues pruned to eliminate duplicates Z: 14 8.924 1.587 0.465 0.775 0.923 0.692 CA 0.905 14 residues pruned to eliminate duplicates Z: 12 14.214 1.709 0.312 0.898 1.000 0.909 CA 1.368 12 residues pruned to eliminate duplicates Z: 15 26.878 2.042 0.986 0.931 1.000 0.857 CA 1.238 15 residues pruned to eliminate duplicates Z: 10 8.544 1.601 0.483 0.877 0.889 0.889 CA 0.980 10 residues pruned to eliminate duplicates Z: 42 31.601 1.867 0.679 0.641 0.951 0.732 CA 1.451 45 residues pruned to eliminate duplicates Z: 16 8.612 1.686 0.617 0.341 0.800 0.400 CA 1.212 15 residues pruned to eliminate duplicates Z: 10 8.346 1.689 0.538 0.482 0.889 0.778 CB 1.227 10 residues pruned to eliminate duplicates Z: 11 8.449 1.550 0.486 0.917 1.000 1.000 CA 0.819 10 residues pruned to eliminate duplicates Z: 10 14.803 1.839 0.417 0.874 1.000 0.889 CB 1.378 10 residues pruned to eliminate duplicates Z: 11 13.467 1.784 0.619 0.890 1.000 0.900 CA 1.060 11 residues pruned to eliminate duplicates Z: 29 17.047 1.809 0.507 0.609 0.857 0.500 CB 1.243 27 residues pruned to eliminate duplicates Z: 12 15.546 1.944 0.516 0.788 0.909 0.818 CA 1.359 12 residues pruned to eliminate duplicates Z: 12 12.772 1.806 0.607 0.535 1.000 1.000 CA 1.282 11 residues pruned to eliminate duplicates Z: 10 18.758 1.990 0.879 0.855 1.000 0.667 CB 1.233 10 residues pruned to eliminate duplicates Z: 16 13.309 1.742 0.658 0.551 0.933 0.800 CB 1.212 16 residues pruned to eliminate duplicates Z: 6 6.174 1.823 0.533 0.436 1.000 0.000 CB 1.056 6 residues pruned to eliminate duplicates Z: 7 3.368 1.525 0.569 0.462 0.667 0.333 CB 0.896 Z: 8 8.026 1.632 0.278 0.812 1.000 0.857 CA 1.109 Z: 9 7.641 1.844 0.212 0.482 1.000 0.750 CB 1.231 9 residues pruned to eliminate duplicates Z: 9 9.074 1.670 0.589 0.532 0.875 0.625 CA 1.340 Z: 9 2.964 1.404 0.307 0.337 0.750 0.375 CB 0.910 Z: 40 32.412 1.986 0.565 0.719 1.000 0.769 CA 1.370 40 residues pruned to eliminate duplicates Z: 15 6.764 1.587 0.536 0.463 0.786 0.500 CB 0.981 15 residues pruned to eliminate duplicates Z: 16 16.790 1.761 0.748 0.773 1.000 0.667 CB 1.107 16 residues pruned to eliminate duplicates Z: 17 15.748 1.899 0.557 0.665 0.938 0.750 CA 1.218 17 residues pruned to eliminate duplicates Z: 11 15.007 1.842 0.546 0.878 1.000 0.900 CB 1.209 11 residues pruned to eliminate duplicates Z: 13 21.192 1.815 1.000 0.928 1.000 0.417 CA 1.180 13 residues pruned to eliminate duplicates Z: 13 4.250 1.629 0.337 0.340 0.667 0.417 CB 1.006 6 residues pruned to eliminate duplicates Z: 14 9.899 1.600 0.960 0.415 0.846 0.462 CB 1.131 11 residues pruned to eliminate duplicates Z: 16 9.010 1.580 0.516 0.466 0.867 0.467 N 1.160 16 residues pruned to eliminate duplicates Z: 7 8.169 1.596 0.466 0.651 1.000 0.833 CA 1.238 7 residues pruned to eliminate duplicates Z: 11 18.434 1.900 0.668 0.881 1.000 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 10 11.436 1.819 0.588 0.643 0.889 0.556 CB 1.299 10 residues pruned to eliminate duplicates Z: 12 5.780 1.623 0.347 0.649 0.545 0.182 CB 1.272 Z: 10 5.678 1.643 0.210 0.428 0.889 0.778 CB 1.154 19 residues pruned to eliminate duplicates Z: 10 14.414 1.867 0.581 0.888 0.889 0.778 CB 1.320 10 residues pruned to eliminate duplicates Z: 29 12.806 1.692 0.435 0.422 0.929 0.536 CB 1.165 22 residues pruned to eliminate duplicates Z: 9 11.383 1.728 1.003 0.620 0.875 0.625 CA 1.186 9 residues pruned to eliminate duplicates Z: 8 8.160 1.584 0.585 0.544 1.000 0.714 CB 1.177 Z: 9 5.617 1.612 0.086 0.603 1.000 0.500 CB 1.029 Z: 12 9.292 1.707 0.634 0.405 0.818 0.545 CA 1.357 12 residues pruned to eliminate duplicates Z: 16 22.367 2.085 0.682 0.850 0.933 0.733 CB 1.306 12 residues pruned to eliminate duplicates Z: 16 32.747 1.983 1.358 0.920 1.000 0.800 CB 1.273 16 residues pruned to eliminate duplicates Z: 40 28.371 1.937 0.715 0.620 0.974 0.718 CB 1.253 15 residues pruned to eliminate duplicates Z: 11 20.179 2.017 0.755 0.926 1.000 0.600 CB 1.264 11 residues pruned to eliminate duplicates Z: 7 5.716 1.822 0.144 0.443 0.833 0.333 CB 1.425 6 residues pruned to eliminate duplicates Z: 12 8.617 1.619 0.550 0.480 0.818 0.636 N 1.291 12 residues pruned to eliminate duplicates Z: 16 12.830 1.749 0.460 0.462 1.000 0.600 CB 1.349 17 residues pruned to eliminate duplicates Z: 50 33.428 1.888 0.669 0.610 0.939 0.673 CB 1.455 61 residues pruned to eliminate duplicates Z: 11 17.556 1.888 0.635 0.905 1.000 0.700 CB 1.280 11 residues pruned to eliminate duplicates Z: 62 33.730 1.866 0.510 0.599 0.951 0.639 CA 1.467 62 residues pruned to eliminate duplicates Z: 8 2.585 1.261 0.530 0.421 0.714 0.429 N 0.769 8 residues pruned to eliminate duplicates Z: 7 7.761 1.788 0.370 0.514 1.000 0.667 CA 1.276 6 residues pruned to eliminate duplicates Z: 6 4.787 1.534 0.883 0.276 0.800 0.600 CB 1.194 Z: 44 37.828 2.029 0.830 0.655 0.930 0.512 CB 1.447 44 residues pruned to eliminate duplicates Z: 23 25.025 1.919 0.607 0.865 1.000 0.682 CA 1.268 23 residues pruned to eliminate duplicates Z: 15 8.574 1.663 0.579 0.359 0.857 0.357 CB 1.185 12 residues pruned to eliminate duplicates Z: 17 5.496 1.525 0.507 0.451 0.875 0.312 CB 0.719 17 residues pruned to eliminate duplicates Z: 13 11.131 1.610 0.467 0.514 1.000 0.667 CA 1.341 13 residues pruned to eliminate duplicates Z: 7 3.610 1.778 -0.283 0.638 1.000 0.833 CB 1.015 Z: 11 17.704 1.850 0.698 0.860 1.000 0.600 CB 1.311 11 residues pruned to eliminate duplicates Z: 30 29.764 1.903 0.834 0.838 0.966 0.621 CB 1.225 30 residues pruned to eliminate duplicates Z: 23 10.904 1.699 0.496 0.476 0.955 0.500 CB 0.981 22 residues pruned to eliminate duplicates Z: 11 9.865 1.528 0.702 0.904 1.000 0.600 CB 0.854 10 residues pruned to eliminate duplicates Z: 10 12.353 1.680 0.642 0.923 1.000 0.889 CB 1.049 11 residues pruned to eliminate duplicates Z: 10 7.452 1.719 0.679 0.293 0.778 0.444 CA 1.396 10 residues pruned to eliminate duplicates Z: 19 13.275 1.582 0.772 0.602 0.833 0.611 CB 1.216 24 residues pruned to eliminate duplicates Z: 14 16.001 1.817 0.762 0.823 0.923 0.769 CB 1.135 14 residues pruned to eliminate duplicates Z: 8 4.315 1.615 0.165 0.566 0.714 0.571 CB 1.139 Z: 8 3.035 1.447 0.148 0.208 0.857 0.571 C 1.138 Z: 8 9.457 1.858 0.397 0.607 0.857 0.714 CA 1.451 8 residues pruned to eliminate duplicates Z: 11 9.547 1.574 0.692 0.927 1.000 0.900 CB 0.795 11 residues pruned to eliminate duplicates Z: 8 7.085 1.469 0.580 0.693 0.857 0.714 N 1.128 8 residues pruned to eliminate duplicates Z: 10 12.205 1.530 0.954 0.734 1.000 0.778 N 1.103 8 residues pruned to eliminate duplicates Z: 16 23.308 1.819 0.830 0.940 1.000 0.867 CB 1.255 16 residues pruned to eliminate duplicates Z: 7 10.587 2.016 0.276 0.838 1.000 1.000 CA 1.256 7 residues pruned to eliminate duplicates Z: 8 4.940 1.765 0.173 0.458 0.714 0.429 N 1.318 Z: 30 25.169 1.929 0.459 0.719 1.000 0.759 CA 1.362 30 residues pruned to eliminate duplicates Z: 10 5.142 1.488 0.268 0.770 0.889 0.667 CB 0.804 Z: 39 21.394 1.861 0.499 0.528 0.868 0.658 CB 1.393 34 residues pruned to eliminate duplicates Z: 9 4.544 1.470 0.376 0.243 0.875 0.375 CB 1.221 Z: 11 11.253 1.837 0.535 0.749 0.800 0.500 CA 1.263 11 residues pruned to eliminate duplicates Z: 18 24.650 1.984 0.880 0.846 0.882 0.706 CB 1.350 18 residues pruned to eliminate duplicates Z: 7 8.656 1.834 0.336 0.712 1.000 0.667 CB 1.190 16 residues pruned to eliminate duplicates Z: 13 6.830 1.579 0.478 0.435 0.917 0.417 CB 0.986 13 residues pruned to eliminate duplicates Z: 11 11.849 1.702 0.640 0.587 1.000 0.800 CA 1.235 11 residues pruned to eliminate duplicates Z: 14 24.934 1.958 0.804 0.865 1.000 0.692 CB 1.434 14 residues pruned to eliminate duplicates Z: 10 5.109 1.683 -0.194 0.565 0.889 0.444 CB 1.327 10 residues pruned to eliminate duplicates Z: 17 2.863 1.348 0.125 0.356 0.688 0.375 CB 0.801 8 residues pruned to eliminate duplicates Z: 8 10.417 1.692 0.816 0.592 0.857 0.714 N 1.369 Z: 7 9.048 1.600 0.682 0.621 1.000 0.667 CB 1.224 7 residues pruned to eliminate duplicates Z: 7 6.342 1.671 -0.065 0.858 1.000 1.000 N 1.220 Z: 12 4.864 1.573 -0.109 0.511 0.818 0.636 N 1.264 12 residues pruned to eliminate duplicates Z: 11 5.045 1.407 0.933 0.241 0.800 0.600 N 0.989 Z: 10 6.068 1.520 0.263 0.551 0.889 0.444 CA 1.128 10 residues pruned to eliminate duplicates Z: 17 21.925 2.107 0.565 0.821 0.938 0.688 CA 1.342 20 residues pruned to eliminate duplicates Z: 6 2.154 1.329 0.571 0.328 0.800 0.600 O 0.697 Z: 15 12.528 1.848 0.468 0.455 1.000 0.643 CB 1.292 15 residues pruned to eliminate duplicates Z: 25 27.087 1.899 0.831 0.897 0.958 0.750 CB 1.188 25 residues pruned to eliminate duplicates Z: 14 12.094 1.862 0.677 0.319 0.923 0.615 CB 1.420 14 residues pruned to eliminate duplicates Z: 13 14.015 1.693 0.622 0.833 1.000 0.833 CB 1.105 13 residues pruned to eliminate duplicates Z: 12 16.888 1.739 0.931 0.873 0.909 0.182 CB 1.215 12 residues pruned to eliminate duplicates Z: 19 12.074 1.701 0.552 0.590 1.000 0.667 CA 0.990 19 residues pruned to eliminate duplicates Z: 11 5.203 1.440 0.565 0.700 0.700 0.500 CB 0.869 8 residues pruned to eliminate duplicates Z: 6 4.904 1.636 -0.081 0.834 1.000 0.600 CB 1.093 6 residues pruned to eliminate duplicates Z: 15 23.338 1.953 0.794 0.909 1.000 0.786 CA 1.263 15 residues pruned to eliminate duplicates Z: 17 8.810 1.586 0.918 0.255 0.812 0.438 CB 1.180 Z: 17 35.328 1.937 1.210 0.928 1.000 0.375 CB 1.445 17 residues pruned to eliminate duplicates Z: 7 2.361 1.582 0.122 0.640 0.667 0.500 CB 0.715 7 residues pruned to eliminate duplicates Z: 9 10.243 1.900 0.719 0.606 0.750 0.625 CA 1.336 9 residues pruned to eliminate duplicates Z: 7 4.570 1.610 0.018 0.570 1.000 0.500 N 1.064 Z: 16 14.195 1.843 0.631 0.455 0.933 0.667 CA 1.368 16 residues pruned to eliminate duplicates Z: 9 6.127 1.562 0.391 0.456 1.000 0.875 CA 1.042 9 residues pruned to eliminate duplicates Z: 39 24.568 1.844 0.763 0.582 0.842 0.553 CA 1.346 39 residues pruned to eliminate duplicates Z: 8 2.513 1.458 0.601 0.256 0.571 0.429 CB 0.942 Z: 13 15.868 1.889 0.832 0.557 1.000 0.750 CA 1.253 8 residues pruned to eliminate duplicates Z: 14 12.402 1.813 0.675 0.406 0.923 0.538 CB 1.354 11 residues pruned to eliminate duplicates Z: 6 4.793 1.412 0.818 0.477 0.800 0.600 CA 1.068 Z: 7 8.744 1.561 0.342 0.797 1.000 1.000 N 1.315 7 residues pruned to eliminate duplicates 9 0.870 1.450 0.272 0.288 0.625 0.250 CB 0.338 ? Z: 13 12.089 1.832 0.660 0.446 0.917 0.667 CB 1.324 13 residues pruned to eliminate duplicates Z: 26 21.324 1.996 0.484 0.524 0.880 0.600 CA 1.597 26 residues pruned to eliminate duplicates Z: 11 5.186 1.775 0.044 0.306 0.800 0.300 C 1.373 Z: 10 2.979 1.571 0.493 0.678 0.667 0.444 CA 0.539 10 residues pruned to eliminate duplicates Z: 7 4.256 1.444 0.589 0.466 1.000 0.667 CB 0.784 7 residues pruned to eliminate duplicates Z: 25 25.952 1.941 0.703 0.751 0.958 0.708 CB 1.336 25 residues pruned to eliminate duplicates Z: 14 15.268 1.813 0.546 0.801 0.923 0.692 CB 1.258 13 residues pruned to eliminate duplicates Z: 60 30.810 1.834 0.764 0.542 0.915 0.559 CB 1.299 60 residues pruned to eliminate duplicates Z: 15 4.575 1.509 0.160 0.316 0.929 0.429 CB 0.922 18 residues pruned to eliminate duplicates Z: 15 23.665 1.902 0.614 0.911 1.000 0.929 CA 1.461 15 residues pruned to eliminate duplicates Z: 19 5.403 1.588 0.367 0.377 0.778 0.333 CB 0.860 Z: 11 8.377 1.572 0.672 0.519 0.900 0.700 CB 1.099 11 residues pruned to eliminate duplicates Z: 11 16.918 1.944 0.615 0.672 1.000 0.300 CA 1.454 10 residues pruned to eliminate duplicates Z: 12 16.560 1.858 0.395 0.892 1.000 0.818 CB 1.384 12 residues pruned to eliminate duplicates Z: 8 4.072 1.734 0.115 0.396 0.857 0.429 CB 1.036 8 residues pruned to eliminate duplicates Z: 7 7.714 1.621 0.832 0.609 0.833 0.833 CB 1.147 Z: 9 4.807 1.523 0.838 0.405 0.625 0.500 CB 1.074 7 residues pruned to eliminate duplicates Z: 12 12.525 1.806 0.635 0.417 1.000 0.636 CB 1.394 12 residues pruned to eliminate duplicates Z: 8 10.576 1.757 0.812 0.876 0.857 0.571 CB 1.064 8 residues pruned to eliminate duplicates Z: 6 6.343 1.504 0.745 0.738 0.800 0.800 N 1.091 Z: 6 4.826 1.530 0.494 0.722 1.000 0.400 CB 0.772 Z: 8 7.308 1.670 0.415 0.623 1.000 0.429 CB 1.042 8 residues pruned to eliminate duplicates Z: 24 23.648 2.048 0.559 0.553 0.957 0.783 CA 1.534 24 residues pruned to eliminate duplicates Z: 17 12.182 1.741 0.593 0.465 0.875 0.625 CB 1.301 17 residues pruned to eliminate duplicates Z: 10 9.544 1.772 0.434 0.627 1.000 0.778 CA 1.110 10 residues pruned to eliminate duplicates Z: 19 28.404 1.886 0.964 0.915 1.000 0.722 CA 1.277 19 residues pruned to eliminate duplicates Z: 7 2.531 1.616 0.345 0.414 0.667 0.500 CB 0.781 Z: 6 5.853 1.483 0.343 0.844 1.000 1.000 CA 0.977 6 residues pruned to eliminate duplicates Z: 12 17.070 1.897 0.939 0.534 0.909 0.455 CA 1.488 12 residues pruned to eliminate duplicates Z: 6 3.889 1.604 0.404 0.447 0.600 0.400 N 1.360 6 residues pruned to eliminate duplicates Z: 10 5.907 1.583 0.438 0.479 1.000 0.556 CA 0.883 16 residues pruned to eliminate duplicates Z: 47 48.820 1.978 0.837 0.933 1.000 0.696 CB 1.382 47 residues pruned to eliminate duplicates Z: 13 8.558 1.561 0.698 0.488 0.833 0.500 CB 1.132 13 residues pruned to eliminate duplicates Z: 6 3.440 1.622 0.108 0.365 1.000 0.800 N 0.989 Z: 27 9.011 1.556 0.366 0.375 0.923 0.500 CB 1.029 27 residues pruned to eliminate duplicates Z: 17 8.410 1.716 0.468 0.420 0.875 0.500 CB 1.037 23 residues pruned to eliminate duplicates Z: 6 5.170 1.565 0.595 0.838 0.800 0.800 CA 0.865 6 residues pruned to eliminate duplicates Z: 45 27.820 1.958 0.744 0.515 0.864 0.614 CB 1.401 60 residues pruned to eliminate duplicates Z: 25 11.081 1.660 0.496 0.474 0.833 0.625 CB 1.122 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 9.942 1.716 0.309 0.702 0.818 0.636 CB 1.358 12 residues pruned to eliminate duplicates Z: 18 10.948 1.625 0.360 0.546 0.882 0.647 CB 1.302 18 residues pruned to eliminate duplicates Z: 14 11.754 1.684 0.694 0.624 0.923 0.769 CA 1.101 14 residues pruned to eliminate duplicates Z: 13 11.901 1.762 0.373 0.705 0.917 0.667 CA 1.286 13 residues pruned to eliminate duplicates Z: 30 21.903 1.805 0.663 0.704 0.897 0.655 CB 1.255 32 residues pruned to eliminate duplicates Z: 12 18.701 1.694 0.791 0.875 1.000 0.636 CB 1.352 12 residues pruned to eliminate duplicates Z: 12 12.264 1.796 0.526 0.732 0.818 0.273 CB 1.339 12 residues pruned to eliminate duplicates Z: 28 10.617 1.615 0.521 0.403 0.778 0.370 CB 1.185 28 residues pruned to eliminate duplicates Z: 35 16.024 1.763 0.546 0.523 0.853 0.441 CB 1.156 35 residues pruned to eliminate duplicates Z: 14 11.652 1.790 0.635 0.458 0.923 0.615 CB 1.249 15 residues pruned to eliminate duplicates Z: 6 2.807 1.155 0.723 0.315 1.000 0.600 N 0.774 6 residues pruned to eliminate duplicates Z: 15 11.417 1.724 0.485 0.410 1.000 0.571 CB 1.309 15 residues pruned to eliminate duplicates Z: 14 12.940 1.793 0.594 0.429 0.923 0.615 CA 1.464 14 residues pruned to eliminate duplicates Z: 13 14.738 1.832 0.744 0.522 1.000 0.667 CB 1.302 13 residues pruned to eliminate duplicates Z: 14 14.917 1.787 0.745 0.478 1.000 0.615 CA 1.357 14 residues pruned to eliminate duplicates Z: 14 14.991 1.781 0.768 0.502 1.000 0.692 CA 1.318 14 residues pruned to eliminate duplicates Z: 15 11.598 1.729 0.602 0.464 0.929 0.643 CA 1.250 15 residues pruned to eliminate duplicates Z: 15 10.781 1.684 0.683 0.359 1.000 0.429 CB 1.184 15 residues pruned to eliminate duplicates Z: 15 12.074 1.725 0.589 0.421 1.000 0.643 CB 1.278 15 residues pruned to eliminate duplicates Z: 20 13.470 1.860 0.661 0.399 0.895 0.632 CB 1.244 20 residues pruned to eliminate duplicates Z: 39 27.669 1.937 0.730 0.634 0.947 0.684 CB 1.247 39 residues pruned to eliminate duplicates Z: 17 14.025 1.876 0.679 0.404 1.000 0.562 CB 1.231 17 residues pruned to eliminate duplicates Z: 41 28.713 1.929 0.689 0.676 0.950 0.675 CB 1.247 41 residues pruned to eliminate duplicates Z: 6 3.414 1.527 0.438 0.355 1.000 0.800 CA 0.813 5 residues pruned to eliminate duplicates Z: 6 6.619 1.648 0.671 0.378 1.000 0.600 CB 1.224 6 residues pruned to eliminate duplicates Z: 33 18.660 1.849 0.634 0.507 0.938 0.625 CB 1.157 33 residues pruned to eliminate duplicates Z: 8 11.338 1.986 0.787 0.526 1.000 0.571 CB 1.176 9 residues pruned to eliminate duplicates Z: 6 3.224 1.426 0.426 0.313 0.800 0.600 CA 1.091 6 residues pruned to eliminate duplicates Z: 47 21.652 1.885 0.451 0.545 0.935 0.717 CA 1.195 47 residues pruned to eliminate duplicates Z: 26 13.462 1.729 0.576 0.427 0.880 0.680 CA 1.211 26 residues pruned to eliminate duplicates Z: 33 17.213 1.775 0.579 0.532 0.938 0.594 CB 1.122 33 residues pruned to eliminate duplicates Z: 34 17.924 1.766 0.616 0.546 0.970 0.636 CB 1.077 34 residues pruned to eliminate duplicates Z: 6 3.461 1.386 0.669 0.266 1.000 0.800 CA 0.873 6 residues pruned to eliminate duplicates Z: 29 17.266 1.808 0.568 0.516 0.929 0.607 CB 1.220 29 residues pruned to eliminate duplicates Z: 42 21.249 1.852 0.585 0.540 0.902 0.683 CA 1.205 42 residues pruned to eliminate duplicates Z: 37 17.147 1.768 0.473 0.605 0.972 0.750 CA 1.022 37 residues pruned to eliminate duplicates Z: 46 15.042 1.773 0.410 0.442 0.867 0.578 CA 1.099 46 residues pruned to eliminate duplicates Z: 20 9.637 1.815 0.367 0.501 0.842 0.632 CA 1.057 20 residues pruned to eliminate duplicates Z: 31 18.792 1.832 0.590 0.513 0.933 0.533 CA 1.245 31 residues pruned to eliminate duplicates Z: 41 18.769 1.850 0.457 0.573 0.925 0.675 CA 1.110 41 residues pruned to eliminate duplicates Z: 26 17.255 1.820 0.479 0.580 1.000 0.760 CA 1.187 26 residues pruned to eliminate duplicates Z: 26 16.485 1.827 0.553 0.498 1.000 0.680 CB 1.164 26 residues pruned to eliminate duplicates Z: 27 17.192 1.782 0.602 0.524 1.000 0.731 CB 1.154 27 residues pruned to eliminate duplicates Z: 26 15.925 1.785 0.661 0.513 1.000 0.520 CB 1.061 25 residues pruned to eliminate duplicates Z: 12 10.335 1.754 0.675 0.731 0.909 0.818 CA 0.948 12 residues pruned to eliminate duplicates Z: 40 22.001 1.823 0.600 0.557 0.974 0.692 CB 1.172 42 residues pruned to eliminate duplicates Z: 16 12.296 1.755 0.711 0.676 0.933 0.733 CA 0.963 16 residues pruned to eliminate duplicates Z: 34 23.704 1.836 0.756 0.673 0.970 0.606 CB 1.125 32 residues pruned to eliminate duplicates Z: 12 17.981 1.964 0.602 0.816 1.000 0.727 CA 1.309 12 residues pruned to eliminate duplicates Z: 9 13.450 1.872 0.704 0.899 1.000 0.625 CA 1.066 9 residues pruned to eliminate duplicates Z: 25 13.706 1.810 0.773 0.465 0.917 0.375 CB 0.986 25 residues pruned to eliminate duplicates Z: 40 25.872 1.864 0.735 0.625 0.974 0.538 CB 1.168 40 residues pruned to eliminate duplicates Z: 23 18.172 1.908 0.846 0.502 1.000 0.545 CB 1.097 27 residues pruned to eliminate duplicates Z: 12 16.955 1.823 0.720 0.874 1.000 0.636 CA 1.186 12 residues pruned to eliminate duplicates Z: 10 14.226 2.022 0.637 0.696 1.000 0.444 CB 1.198 10 residues pruned to eliminate duplicates Z: 25 16.096 1.886 0.609 0.538 0.875 0.583 CB 1.192 25 residues pruned to eliminate duplicates Z: 25 12.468 1.814 0.637 0.429 0.750 0.375 CB 1.230 25 residues pruned to eliminate duplicates Z: 48 27.198 1.860 0.725 0.579 0.979 0.681 CB 1.171 48 residues pruned to eliminate duplicates Z: 12 9.648 1.874 0.948 0.454 0.818 0.818 CB 1.021 12 residues pruned to eliminate duplicates Z: 11 12.872 1.860 0.995 0.496 0.900 0.800 CA 1.223 11 residues pruned to eliminate duplicates Z: 12 11.171 1.831 0.902 0.485 1.000 0.818 CB 0.982 12 residues pruned to eliminate duplicates Z: 25 16.069 1.868 0.845 0.542 0.833 0.417 CB 1.096 25 residues pruned to eliminate duplicates Z: 11 11.932 1.829 0.860 0.537 0.900 0.400 CA 1.188 11 residues pruned to eliminate duplicates Z: 15 10.806 1.747 0.986 0.418 0.857 0.500 CA 1.058 15 residues pruned to eliminate duplicates Z: 11 11.921 1.910 0.799 0.505 0.900 0.800 CB 1.212 11 residues pruned to eliminate duplicates Z: 6 2.107 1.160 1.050 0.445 1.000 0.800 N 0.419 6 residues pruned to eliminate duplicates Z: 30 24.584 1.828 0.643 0.754 1.000 0.828 CB 1.213 36 residues pruned to eliminate duplicates Z: 20 17.814 1.755 0.360 0.840 1.000 0.947 CB 1.278 20 residues pruned to eliminate duplicates Z: 20 17.741 1.912 0.680 0.511 0.895 0.684 CA 1.401 20 residues pruned to eliminate duplicates Z: 21 17.350 1.898 0.718 0.566 0.950 0.750 CA 1.175 21 residues pruned to eliminate duplicates Z: 20 15.402 1.878 0.617 0.606 0.895 0.632 CA 1.175 20 residues pruned to eliminate duplicates Z: 20 15.881 1.904 0.525 0.587 0.947 0.684 CA 1.218 20 residues pruned to eliminate duplicates Z: 29 22.207 1.871 0.467 0.731 0.929 0.821 CB 1.338 29 residues pruned to eliminate duplicates Z: 13 15.058 1.719 0.690 0.829 0.917 0.750 CA 1.228 13 residues pruned to eliminate duplicates Z: 26 25.351 1.913 0.628 0.720 0.960 0.880 CA 1.390 26 residues pruned to eliminate duplicates Z: 29 23.850 1.878 0.634 0.730 0.929 0.821 CB 1.286 29 residues pruned to eliminate duplicates Z: 25 19.636 1.684 0.750 0.678 1.000 0.625 CB 1.155 25 residues pruned to eliminate duplicates Z: 30 27.657 1.855 0.979 0.714 0.931 0.586 CB 1.238 36 residues pruned to eliminate duplicates Z: 16 23.109 1.844 1.097 0.905 1.000 0.933 CB 1.098 16 residues pruned to eliminate duplicates Z: 29 27.115 1.825 0.910 0.734 0.964 0.714 CB 1.235 29 residues pruned to eliminate duplicates Z: 28 27.504 1.900 0.916 0.668 0.926 0.704 CB 1.345 28 residues pruned to eliminate duplicates Z: 29 26.223 1.845 0.933 0.736 0.929 0.679 CB 1.210 29 residues pruned to eliminate duplicates Z: 17 22.108 1.803 1.068 0.875 0.938 0.562 CB 1.150 18 residues pruned to eliminate duplicates Z: 10 4.919 1.593 0.178 0.582 1.000 0.444 CB 0.807 3 residues pruned to eliminate duplicates Z: 6 6.123 1.649 0.515 0.453 1.000 0.400 CA 1.149 3 residues pruned to eliminate duplicates Z: 6 4.980 1.660 0.582 0.400 0.800 0.800 CA 1.178 6 residues pruned to eliminate duplicates Z: 20 14.523 1.767 0.515 0.501 0.947 0.632 CB 1.313 20 residues pruned to eliminate duplicates Z: 56 26.972 1.811 0.492 0.596 0.891 0.618 CA 1.378 56 residues pruned to eliminate duplicates Z: 22 13.267 1.755 0.522 0.475 0.857 0.762 CA 1.297 20 residues pruned to eliminate duplicates 6 1.013 1.231 0.044 0.359 1.000 0.600 CA 0.411 ? Z: 18 17.834 1.865 0.477 0.810 0.882 0.824 CA 1.358 18 residues pruned to eliminate duplicates Z: 46 30.653 1.888 0.544 0.647 0.933 0.689 CA 1.464 46 residues pruned to eliminate duplicates Z: 44 31.109 1.920 0.580 0.669 0.930 0.837 CA 1.439 44 residues pruned to eliminate duplicates Z: 57 32.006 1.865 0.563 0.654 0.929 0.768 CA 1.368 136 residues pruned to eliminate duplicates Z: 15 22.293 1.904 0.478 0.920 1.000 1.000 CA 1.492 15 residues pruned to eliminate duplicates Z: 48 30.348 1.836 0.498 0.649 0.979 0.702 CA 1.430 48 residues pruned to eliminate duplicates Z: 48 28.136 1.861 0.513 0.620 0.936 0.723 CB 1.390 48 residues pruned to eliminate duplicates Z: 46 28.545 1.888 0.485 0.653 0.933 0.756 CA 1.411 46 residues pruned to eliminate duplicates Z: 46 30.617 1.874 0.540 0.649 0.956 0.756 CA 1.440 46 residues pruned to eliminate duplicates Z: 25 25.802 2.011 0.408 0.834 0.917 0.875 CA 1.520 25 residues pruned to eliminate duplicates Z: 42 32.459 1.939 0.623 0.680 0.927 0.756 CA 1.473 42 residues pruned to eliminate duplicates Z: 45 32.585 1.911 0.557 0.692 0.977 0.886 CA 1.417 45 residues pruned to eliminate duplicates Z: 48 28.595 1.855 0.524 0.624 0.936 0.787 CB 1.403 48 residues pruned to eliminate duplicates Z: 49 28.619 1.890 0.443 0.621 0.958 0.688 CA 1.410 49 residues pruned to eliminate duplicates Z: 46 31.924 1.878 0.557 0.686 0.978 0.844 CA 1.403 46 residues pruned to eliminate duplicates Z: 51 32.494 1.854 0.580 0.648 0.960 0.640 CB 1.423 51 residues pruned to eliminate duplicates Z: 43 33.009 1.917 0.564 0.695 0.976 0.714 CA 1.455 43 residues pruned to eliminate duplicates Z: 43 29.702 1.903 0.543 0.668 0.952 0.762 CA 1.403 43 residues pruned to eliminate duplicates Z: 56 33.323 1.874 0.679 0.579 0.909 0.600 CA 1.456 56 residues pruned to eliminate duplicates Z: 46 32.859 1.891 0.644 0.657 0.978 0.711 CB 1.394 46 residues pruned to eliminate duplicates Z: 45 35.139 1.905 0.728 0.688 0.955 0.659 CB 1.419 45 residues pruned to eliminate duplicates Z: 54 32.010 1.853 0.696 0.618 0.925 0.642 CB 1.353 54 residues pruned to eliminate duplicates Z: 48 34.500 1.877 0.666 0.650 0.979 0.660 CB 1.430 48 residues pruned to eliminate duplicates Z: 48 32.391 1.853 0.688 0.663 0.915 0.681 CB 1.420 48 residues pruned to eliminate duplicates Z: 44 34.434 1.889 0.852 0.699 0.907 0.628 CB 1.381 44 residues pruned to eliminate duplicates Z: 49 28.599 1.847 0.592 0.601 0.896 0.562 CB 1.423 49 residues pruned to eliminate duplicates Z: 58 28.900 1.828 0.607 0.537 0.895 0.509 CB 1.404 58 residues pruned to eliminate duplicates Z: 34 24.126 1.864 0.779 0.526 0.818 0.455 CB 1.509 34 residues pruned to eliminate duplicates Z: 57 36.026 1.876 0.721 0.568 0.946 0.554 CB 1.475 57 residues pruned to eliminate duplicates Z: 14 11.444 1.711 1.045 0.372 0.769 0.231 CA 1.353 11 residues pruned to eliminate duplicates Z: 7 4.472 1.447 0.880 0.384 0.833 0.333 CA 0.911 7 residues pruned to eliminate duplicates Z: 57 32.367 1.851 0.710 0.560 0.929 0.679 CB 1.388 57 residues pruned to eliminate duplicates Z: 18 15.672 1.695 0.746 0.500 0.882 0.706 N 1.455 21 residues pruned to eliminate duplicates Z: 6 5.812 1.674 0.651 0.324 0.800 0.600 N 1.426 6 residues pruned to eliminate duplicates Z: 12 10.357 1.710 0.538 0.443 0.909 0.545 CA 1.385 12 residues pruned to eliminate duplicates Z: 11 9.087 1.774 0.385 0.352 0.900 0.500 O 1.526 11 residues pruned to eliminate duplicates Z: 11 11.361 1.764 0.690 0.456 0.900 0.600 CA 1.400 11 residues pruned to eliminate duplicates Z: 12 10.935 1.765 0.482 0.419 0.909 0.727 CA 1.508 12 residues pruned to eliminate duplicates Z: 6 3.475 1.663 -0.180 0.570 1.000 0.800 CA 1.065 6 residues pruned to eliminate duplicates Z: 8 4.446 1.650 0.020 0.379 1.000 0.286 CA 1.136 8 residues pruned to eliminate duplicates Z: 10 3.796 1.627 -0.126 0.418 0.889 0.333 CB 1.091 Z: 14 15.776 1.866 0.529 0.766 1.000 0.538 CA 1.211 14 residues pruned to eliminate duplicates Z: 15 12.052 1.867 0.504 0.682 0.857 0.429 CA 1.132 15 residues pruned to eliminate duplicates Z: 37 20.775 1.822 0.608 0.520 0.889 0.472 CA 1.303 37 residues pruned to eliminate duplicates Z: 15 21.159 1.918 0.936 0.820 0.929 0.643 CB 1.242 15 residues pruned to eliminate duplicates Z: 25 15.996 1.866 0.543 0.622 0.792 0.542 CB 1.277 25 residues pruned to eliminate duplicates Z: 18 9.461 1.790 0.515 0.427 0.765 0.471 CB 1.194 18 residues pruned to eliminate duplicates Z: 15 9.552 1.761 0.439 0.548 0.714 0.500 CA 1.346 15 residues pruned to eliminate duplicates Z: 27 18.526 1.818 0.631 0.609 0.923 0.500 CA 1.197 27 residues pruned to eliminate duplicates Z: 28 19.113 1.801 0.627 0.624 0.926 0.556 CA 1.206 29 residues pruned to eliminate duplicates Z: 15 21.966 1.887 0.850 0.791 0.929 0.786 CB 1.403 15 residues pruned to eliminate duplicates Z: 38 25.629 1.819 0.781 0.606 0.946 0.703 CA 1.244 56 residues pruned to eliminate duplicates Z: 13 22.143 1.989 0.891 0.789 0.917 0.833 CB 1.438 13 residues pruned to eliminate duplicates Z: 22 19.003 1.672 0.821 0.780 1.000 0.762 CA 1.065 22 residues pruned to eliminate duplicates Z: 10 10.267 1.660 0.511 0.909 1.000 0.778 CB 0.968 10 residues pruned to eliminate duplicates Z: 14 8.753 1.526 0.562 0.708 0.923 0.615 CB 0.914 14 residues pruned to eliminate duplicates Z: 15 9.121 1.564 0.410 0.731 0.929 0.643 CB 0.967 15 residues pruned to eliminate duplicates Z: 21 18.762 1.679 0.829 0.752 0.950 0.800 CB 1.149 22 residues pruned to eliminate duplicates Z: 12 9.757 1.499 0.757 0.820 1.000 0.818 CB 0.846 11 residues pruned to eliminate duplicates Z: 11 10.998 1.596 0.893 0.846 0.900 0.700 CB 0.951 10 residues pruned to eliminate duplicates Z: 10 12.378 1.667 0.937 0.892 1.000 0.778 CB 0.918 10 residues pruned to eliminate duplicates Z: 15 19.805 1.869 0.954 0.598 1.000 0.786 CB 1.320 16 residues pruned to eliminate duplicates Z: 6 3.532 1.343 1.147 0.349 0.600 0.200 O 1.076 6 residues pruned to eliminate duplicates Z: 15 13.039 1.763 0.830 0.505 0.929 0.643 CB 1.157 15 residues pruned to eliminate duplicates Z: 12 6.025 1.565 0.634 0.381 0.727 0.545 CB 1.109 12 residues pruned to eliminate duplicates Z: 15 13.505 1.779 0.778 0.491 1.000 0.643 CB 1.151 15 residues pruned to eliminate duplicates Z: 13 13.367 1.910 0.841 0.530 0.917 0.750 CB 1.163 13 residues pruned to eliminate duplicates Z: 8 4.270 1.642 0.461 0.388 0.857 0.571 CB 0.883 Z: 6 4.822 1.393 0.776 0.627 0.800 0.800 N 0.967 5 residues pruned to eliminate duplicates Z: 6 2.608 1.488 0.573 0.259 0.800 0.400 CA 0.820 6 residues pruned to eliminate duplicates Z: 25 14.514 1.661 0.784 0.483 0.875 0.583 CA 1.163 23 residues pruned to eliminate duplicates Z: 6 4.700 1.342 0.876 0.452 1.000 0.600 CA 0.877 6 residues pruned to eliminate duplicates Z: 9 11.056 1.778 0.940 0.725 1.000 0.875 CA 0.925 9 residues pruned to eliminate duplicates Z: 17 9.858 1.620 0.686 0.382 0.938 0.500 CB 1.091 17 residues pruned to eliminate duplicates Z: 16 12.025 1.638 0.739 0.460 0.933 0.667 CB 1.216 16 residues pruned to eliminate duplicates Z: 19 11.963 1.612 0.822 0.463 0.778 0.556 CB 1.281 19 residues pruned to eliminate duplicates Z: 22 17.120 1.750 0.705 0.542 0.857 0.619 CA 1.401 22 residues pruned to eliminate duplicates Z: 26 23.732 1.896 0.652 0.658 0.920 0.640 CB 1.423 23 residues pruned to eliminate duplicates Z: 6 3.875 1.462 1.308 0.466 0.800 0.600 N 0.664 Z: 6 4.924 1.570 0.559 0.367 1.000 0.800 N 1.039 6 residues pruned to eliminate duplicates Z: 22 13.676 1.869 0.431 0.481 0.810 0.667 CA 1.406 28 residues pruned to eliminate duplicates Z: 33 19.839 1.805 0.527 0.605 0.875 0.594 CB 1.316 35 residues pruned to eliminate duplicates Z: 19 18.354 1.793 0.401 0.764 1.000 0.889 CB 1.363 19 residues pruned to eliminate duplicates Z: 24 17.656 1.844 0.518 0.569 0.913 0.739 CB 1.348 24 residues pruned to eliminate duplicates Z: 23 15.930 1.819 0.489 0.539 0.864 0.591 CA 1.397 23 residues pruned to eliminate duplicates Z: 24 24.579 1.884 0.638 0.693 1.000 0.652 CB 1.392 24 residues pruned to eliminate duplicates Z: 27 19.744 1.801 0.741 0.560 0.846 0.615 CB 1.377 27 residues pruned to eliminate duplicates Z: 37 25.160 1.850 0.731 0.561 0.861 0.694 CB 1.433 49 residues pruned to eliminate duplicates Z: 14 24.643 1.942 1.092 0.882 0.923 0.692 CB 1.319 14 residues pruned to eliminate duplicates Z: 23 25.461 1.898 0.736 0.671 1.000 0.591 CB 1.406 23 residues pruned to eliminate duplicates Z: 20 24.932 1.961 0.666 0.674 1.000 0.684 CB 1.492 20 residues pruned to eliminate duplicates Z: 21 18.120 1.799 0.721 0.590 0.950 0.400 CB 1.264 21 residues pruned to eliminate duplicates Z: 30 16.854 1.796 0.700 0.482 0.828 0.655 CB 1.261 30 residues pruned to eliminate duplicates Z: 28 18.851 1.770 0.599 0.605 0.889 0.593 CA 1.305 28 residues pruned to eliminate duplicates Z: 34 19.178 1.753 0.573 0.509 0.879 0.485 CB 1.365 34 residues pruned to eliminate duplicates Z: 18 8.813 1.592 0.558 0.388 0.765 0.471 CB 1.269 18 residues pruned to eliminate duplicates Z: 32 17.573 1.697 0.622 0.448 0.903 0.581 CA 1.339 32 residues pruned to eliminate duplicates Z: 12 4.828 1.482 0.341 0.425 0.727 0.455 CB 1.089 12 residues pruned to eliminate duplicates Z: 14 7.801 1.573 0.222 0.543 0.923 0.538 CA 1.169 14 residues pruned to eliminate duplicates Z: 14 9.545 1.591 0.321 0.615 0.923 0.538 N 1.223 14 residues pruned to eliminate duplicates Z: 16 10.033 1.702 0.393 0.489 0.867 0.667 CA 1.275 16 residues pruned to eliminate duplicates Z: 26 18.545 1.806 0.554 0.536 0.960 0.640 CB 1.329 26 residues pruned to eliminate duplicates Z: 26 18.721 1.797 0.557 0.544 0.960 0.560 CB 1.335 26 residues pruned to eliminate duplicates Z: 17 12.259 1.850 0.615 0.441 0.938 0.625 CA 1.163 17 residues pruned to eliminate duplicates Z: 17 15.609 1.904 0.722 0.486 1.000 0.688 CA 1.207 17 residues pruned to eliminate duplicates Z: 19 14.916 1.764 0.603 0.401 1.000 0.667 CB 1.381 19 residues pruned to eliminate duplicates Z: 9 6.514 1.588 0.678 0.211 0.875 0.500 CB 1.388 9 residues pruned to eliminate duplicates Z: 19 13.469 1.814 0.594 0.402 1.000 0.500 CA 1.217 19 residues pruned to eliminate duplicates Z: 18 17.260 1.846 0.700 0.520 1.000 0.647 CA 1.307 18 residues pruned to eliminate duplicates Z: 19 13.002 1.848 0.548 0.439 0.944 0.722 CA 1.209 19 residues pruned to eliminate duplicates Z: 17 16.335 1.893 0.679 0.523 1.000 0.688 CA 1.256 17 residues pruned to eliminate duplicates Z: 6 4.324 1.540 0.547 0.342 1.000 0.600 CA 0.963 6 residues pruned to eliminate duplicates Z: 18 16.477 1.810 0.672 0.506 1.000 0.647 CA 1.312 18 residues pruned to eliminate duplicates Z: 11 9.383 1.899 0.565 0.523 0.900 0.500 CA 1.084 11 residues pruned to eliminate duplicates Z: 19 16.005 1.816 0.853 0.483 1.000 0.833 CA 1.140 19 residues pruned to eliminate duplicates Z: 10 14.803 1.848 0.499 0.911 1.000 0.889 CA 1.262 Z: 12 13.092 1.711 0.355 0.867 1.000 0.818 CA 1.245 12 residues pruned to eliminate duplicates Z: 26 23.928 1.885 0.700 0.760 0.960 0.680 CA 1.235 35 residues pruned to eliminate duplicates Z: 12 17.444 1.807 0.760 0.844 1.000 0.636 CB 1.231 Z: 13 18.186 1.719 0.843 0.898 1.000 0.417 CB 1.185 12 residues pruned to eliminate duplicates Z: 8 9.078 1.612 0.671 0.868 1.000 0.429 CA 0.931 8 residues pruned to eliminate duplicates Z: 24 24.301 1.946 0.778 0.743 0.870 0.565 CA 1.355 38 residues pruned to eliminate duplicates Z: 11 17.275 1.848 0.763 0.865 0.900 0.500 CA 1.365 Z: 7 10.443 1.701 1.060 0.808 0.833 0.500 CA 1.116 7 residues pruned to eliminate duplicates Z: 8 13.298 1.750 0.818 0.819 1.000 0.571 CB 1.198 8 residues pruned to eliminate duplicates Z: 7 7.509 2.033 0.310 0.385 1.000 0.500 CA 1.300 7 residues pruned to eliminate duplicates Z: 52 35.364 2.061 0.566 0.600 0.941 0.725 CA 1.482 50 residues pruned to eliminate duplicates Z: 6 6.804 1.665 0.570 0.428 1.000 0.400 CA 1.255 6 residues pruned to eliminate duplicates Z: 42 32.551 2.069 0.650 0.652 0.927 0.756 CA 1.395 41 residues pruned to eliminate duplicates Z: 6 2.994 1.424 0.321 0.224 1.000 0.400 N 0.983 6 residues pruned to eliminate duplicates Z: 53 33.931 2.049 0.505 0.626 0.962 0.731 CA 1.409 53 residues pruned to eliminate duplicates Z: 23 21.233 2.094 0.441 0.496 1.000 0.773 CA 1.507 23 residues pruned to eliminate duplicates Z: 53 34.578 2.039 0.581 0.592 0.942 0.692 CA 1.445 53 residues pruned to eliminate duplicates Z: 53 32.878 1.987 0.575 0.630 0.942 0.692 CA 1.368 53 residues pruned to eliminate duplicates Z: 53 31.539 2.031 0.441 0.593 0.981 0.654 CA 1.394 53 residues pruned to eliminate duplicates Z: 50 31.511 2.030 0.555 0.538 0.980 0.735 CA 1.402 50 residues pruned to eliminate duplicates Z: 40 32.238 2.058 0.470 0.679 1.000 0.846 CA 1.447 40 residues pruned to eliminate duplicates Z: 40 27.546 2.039 0.407 0.618 0.974 0.769 CA 1.412 40 residues pruned to eliminate duplicates Z: 49 28.394 2.035 0.386 0.572 0.938 0.667 CA 1.446 49 residues pruned to eliminate duplicates Z: 40 28.252 2.073 0.493 0.620 0.949 0.692 CA 1.375 40 residues pruned to eliminate duplicates Z: 49 29.193 2.044 0.439 0.538 0.979 0.625 CA 1.409 49 residues pruned to eliminate duplicates Z: 41 33.924 2.049 0.564 0.682 0.975 0.700 CA 1.452 41 residues pruned to eliminate duplicates Z: 39 32.808 2.089 0.477 0.680 1.000 0.816 CA 1.461 39 residues pruned to eliminate duplicates Z: 45 28.730 2.060 0.500 0.517 0.977 0.705 CA 1.410 45 residues pruned to eliminate duplicates Z: 39 33.440 2.091 0.588 0.643 0.974 0.658 CA 1.469 39 residues pruned to eliminate duplicates Z: 39 35.234 2.066 0.605 0.658 1.000 0.763 CA 1.488 39 residues pruned to eliminate duplicates Z: 16 23.867 1.955 0.844 0.847 0.933 0.667 CA 1.360 16 residues pruned to eliminate duplicates Z: 40 32.992 2.016 0.540 0.640 1.000 0.641 CA 1.492 40 residues pruned to eliminate duplicates Z: 50 29.740 2.022 0.550 0.528 0.980 0.714 CA 1.346 50 residues pruned to eliminate duplicates Z: 40 37.172 2.094 0.667 0.656 0.974 0.718 CA 1.513 40 residues pruned to eliminate duplicates Z: 63 32.865 1.995 0.522 0.511 0.935 0.694 CB 1.454 63 residues pruned to eliminate duplicates Z: 56 31.639 1.995 0.568 0.530 0.927 0.636 CB 1.429 56 residues pruned to eliminate duplicates Z: 53 35.035 2.012 0.725 0.575 0.923 0.596 CA 1.412 53 residues pruned to eliminate duplicates Z: 11 12.268 2.001 0.187 0.900 1.000 1.000 CA 1.167 11 residues pruned to eliminate duplicates Z: 40 32.363 2.039 0.645 0.646 0.949 0.692 CA 1.421 40 residues pruned to eliminate duplicates Z: 52 33.219 2.055 0.595 0.547 0.922 0.569 CA 1.470 52 residues pruned to eliminate duplicates Z: 53 36.996 2.067 0.591 0.595 0.962 0.635 CA 1.482 53 residues pruned to eliminate duplicates Z: 48 35.461 2.062 0.658 0.588 0.936 0.596 CA 1.485 48 residues pruned to eliminate duplicates Z: 42 37.297 2.042 0.741 0.665 0.976 0.659 CA 1.441 42 residues pruned to eliminate duplicates Z: 42 33.756 2.072 0.680 0.626 0.951 0.610 CA 1.414 42 residues pruned to eliminate duplicates Z: 41 41.119 2.086 0.783 0.678 0.975 0.750 CA 1.523 41 residues pruned to eliminate duplicates Z: 53 36.429 2.041 0.641 0.594 0.962 0.673 CA 1.434 53 residues pruned to eliminate duplicates Z: 56 29.785 1.982 0.601 0.497 0.945 0.564 CA 1.343 56 residues pruned to eliminate duplicates Z: 11 12.293 2.038 0.447 0.444 1.000 0.300 CA 1.396 11 residues pruned to eliminate duplicates Z: 67 39.783 2.034 0.692 0.544 0.924 0.621 CB 1.474 68 residues pruned to eliminate duplicates Z: 7 2.859 1.524 0.607 0.440 0.833 0.667 CA 0.609 7 residues pruned to eliminate duplicates Z: 65 36.367 2.022 0.639 0.570 0.922 0.578 CB 1.390 65 residues pruned to eliminate duplicates Z: 52 39.762 2.069 0.704 0.606 0.961 0.647 CA 1.486 52 residues pruned to eliminate duplicates Z: 11 13.867 1.958 0.664 0.622 0.900 0.800 CB 1.332 11 residues pruned to eliminate duplicates Z: 11 20.406 2.067 1.035 0.602 1.000 0.800 CA 1.392 11 residues pruned to eliminate duplicates Z: 12 14.668 1.978 0.806 0.584 0.909 0.818 CA 1.256 12 residues pruned to eliminate duplicates Z: 9 14.895 1.976 0.832 0.620 0.875 0.625 CB 1.485 9 residues pruned to eliminate duplicates Z: 12 5.361 1.661 0.430 0.393 0.727 0.545 CB 1.048 12 residues pruned to eliminate duplicates Z: 22 20.415 1.979 0.793 0.526 0.857 0.619 CB 1.428 23 residues pruned to eliminate duplicates Z: 7 4.857 1.536 0.519 0.333 0.833 0.833 C 1.224 7 residues pruned to eliminate duplicates Z: 13 14.220 1.968 0.725 0.529 0.917 0.750 CB 1.282 13 residues pruned to eliminate duplicates Z: 14 12.041 1.894 0.663 0.523 0.923 0.615 CB 1.122 14 residues pruned to eliminate duplicates Z: 12 16.551 2.024 0.683 0.671 1.000 0.818 CB 1.251 12 residues pruned to eliminate duplicates Z: 13 14.028 1.990 0.713 0.590 0.833 0.667 CB 1.309 13 residues pruned to eliminate duplicates Z: 13 16.484 2.009 0.893 0.599 0.833 0.750 CB 1.366 13 residues pruned to eliminate duplicates Z: 12 18.917 2.062 0.798 0.650 0.909 0.818 CB 1.472 12 residues pruned to eliminate duplicates Z: 15 17.013 1.870 0.685 0.592 0.929 0.643 CB 1.423 15 residues pruned to eliminate duplicates Z: 32 21.998 1.835 0.323 0.835 0.935 0.839 CA 1.303 32 residues pruned to eliminate duplicates Z: 36 25.983 1.915 0.562 0.660 0.886 0.743 CB 1.429 23 residues pruned to eliminate duplicates Z: 27 24.821 1.948 0.437 0.901 0.962 0.846 CA 1.291 106 residues pruned to eliminate duplicates Z: 49 34.889 1.865 0.565 0.888 1.000 0.875 CA 1.243 49 residues pruned to eliminate duplicates Z: 36 31.091 1.932 0.581 0.853 1.000 0.857 CA 1.272 36 residues pruned to eliminate duplicates Z: 26 25.902 1.901 0.755 0.866 0.920 0.880 CA 1.236 26 residues pruned to eliminate duplicates Z: 24 25.082 2.005 0.457 0.898 1.000 0.739 CA 1.281 24 residues pruned to eliminate duplicates Z: 19 16.301 1.917 0.573 0.663 0.889 0.667 CA 1.233 19 residues pruned to eliminate duplicates Z: 42 25.685 1.888 0.622 0.611 0.927 0.707 CB 1.272 42 residues pruned to eliminate duplicates Z: 22 23.576 2.059 0.517 0.891 1.000 0.857 CA 1.185 22 residues pruned to eliminate duplicates Z: 25 28.561 1.930 0.588 0.888 1.000 0.792 CB 1.371 25 residues pruned to eliminate duplicates Z: 16 19.720 2.045 0.520 0.841 1.000 0.733 CA 1.222 16 residues pruned to eliminate duplicates Z: 24 20.575 1.943 0.596 0.832 1.000 0.739 CA 1.039 24 residues pruned to eliminate duplicates Z: 31 26.542 1.954 0.527 0.869 0.967 0.767 CA 1.227 31 residues pruned to eliminate duplicates Z: 24 30.191 1.984 0.702 0.855 1.000 0.739 CA 1.375 24 residues pruned to eliminate duplicates Z: 24 27.725 2.005 0.712 0.854 0.957 0.783 CB 1.300 24 residues pruned to eliminate duplicates Z: 40 29.626 1.913 0.516 0.832 0.949 0.795 CA 1.294 40 residues pruned to eliminate duplicates Z: 35 32.168 1.919 0.765 0.852 1.000 0.706 CA 1.205 35 residues pruned to eliminate duplicates Z: 43 43.089 1.966 1.033 0.756 0.976 0.643 CA 1.357 43 residues pruned to eliminate duplicates Z: 30 39.328 1.945 0.849 0.898 1.000 0.724 CB 1.452 30 residues pruned to eliminate duplicates Z: 30 30.300 1.884 0.828 0.875 0.966 0.621 CB 1.231 30 residues pruned to eliminate duplicates Z: 31 32.957 1.906 0.841 0.901 0.967 0.667 CB 1.267 31 residues pruned to eliminate duplicates Z: 40 32.229 1.831 0.817 0.770 0.974 0.538 CA 1.253 40 residues pruned to eliminate duplicates Z: 8 5.806 1.689 0.469 0.474 0.857 0.571 CA 1.059 8 residues pruned to eliminate duplicates Z: 22 25.015 1.921 0.804 0.836 0.952 0.810 CA 1.238 22 residues pruned to eliminate duplicates Z: 47 44.344 1.975 0.926 0.897 0.957 0.696 CA 1.286 47 residues pruned to eliminate duplicates Z: 35 40.357 1.979 0.843 0.841 1.000 0.618 CB 1.415 35 residues pruned to eliminate duplicates Z: 48 47.388 1.992 0.904 0.895 0.979 0.702 CA 1.335 48 residues pruned to eliminate duplicates Z: 49 43.078 1.952 0.853 0.822 1.000 0.750 CB 1.300 49 residues pruned to eliminate duplicates Z: 18 14.922 1.787 0.794 0.495 0.941 0.647 CA 1.205 18 residues pruned to eliminate duplicates Z: 18 18.162 1.861 0.660 0.614 1.000 0.588 CA 1.280 18 residues pruned to eliminate duplicates Z: 18 22.234 1.893 0.702 0.681 1.000 0.765 CB 1.417 18 residues pruned to eliminate duplicates Z: 29 30.724 1.943 0.969 0.751 0.964 0.857 CA 1.258 29 residues pruned to eliminate duplicates Z: 27 34.955 2.016 0.959 0.817 1.000 0.885 CA 1.318 27 residues pruned to eliminate duplicates Z: 34 29.570 1.865 0.774 0.715 0.970 0.697 CA 1.320 34 residues pruned to eliminate duplicates Z: 28 28.312 1.974 0.773 0.812 1.000 0.815 CA 1.187 28 residues pruned to eliminate duplicates Z: 46 31.186 1.863 0.764 0.619 0.978 0.644 CA 1.293 46 residues pruned to eliminate duplicates Z: 28 30.761 1.997 0.960 0.782 0.963 0.815 CA 1.225 28 residues pruned to eliminate duplicates Z: 29 36.122 2.000 0.957 0.775 1.000 0.857 CA 1.368 29 residues pruned to eliminate duplicates Z: 30 30.142 1.955 0.866 0.770 0.931 0.759 CB 1.298 30 residues pruned to eliminate duplicates Z: 32 35.492 1.930 1.067 0.734 0.935 0.742 CB 1.385 32 residues pruned to eliminate duplicates Z: 29 35.732 1.984 1.069 0.794 0.929 0.750 CA 1.369 29 residues pruned to eliminate duplicates Z: 29 36.576 1.986 1.053 0.766 0.964 0.786 CA 1.389 29 residues pruned to eliminate duplicates Z: 30 33.887 1.923 1.054 0.744 0.931 0.759 CB 1.376 30 residues pruned to eliminate duplicates Z: 22 24.369 1.931 0.981 0.739 0.952 0.571 CA 1.178 22 residues pruned to eliminate duplicates Z: 38 30.605 1.880 0.845 0.675 0.919 0.730 CB 1.344 38 residues pruned to eliminate duplicates Z: 37 24.350 1.884 0.719 0.689 0.917 0.639 CA 1.150 37 residues pruned to eliminate duplicates Z: 33 35.464 1.956 1.097 0.721 0.969 0.625 CA 1.292 33 residues pruned to eliminate duplicates Z: 7 2.948 1.586 0.425 0.374 0.667 0.500 CA 0.915 7 residues pruned to eliminate duplicates Z: 22 13.982 1.743 0.601 0.454 0.952 0.524 CB 1.204 22 residues pruned to eliminate duplicates Z: 43 28.611 1.933 0.624 0.704 0.929 0.714 CA 1.258 43 residues pruned to eliminate duplicates Z: 42 33.050 1.946 0.827 0.723 0.951 0.756 CA 1.249 42 residues pruned to eliminate duplicates Z: 23 11.961 1.729 0.549 0.521 0.818 0.409 CA 1.140 23 residues pruned to eliminate duplicates Z: 15 10.021 1.806 0.405 0.583 0.929 0.429 CA 1.050 15 residues pruned to eliminate duplicates Z: 28 13.666 1.705 0.468 0.398 0.963 0.407 CA 1.216 28 residues pruned to eliminate duplicates Z: 67 34.439 1.876 0.739 0.622 0.864 0.439 CB 1.341 67 residues pruned to eliminate duplicates Z: 51 30.463 1.853 0.846 0.542 0.900 0.540 CA 1.343 51 residues pruned to eliminate duplicates Z: 9 7.065 1.792 0.500 0.364 0.875 0.375 CB 1.230 9 residues pruned to eliminate duplicates Z: 18 7.948 1.649 0.634 0.238 0.765 0.353 CA 1.267 18 residues pruned to eliminate duplicates Z: 20 12.047 1.777 0.634 0.481 0.842 0.421 CB 1.153 20 residues pruned to eliminate duplicates Z: 16 13.751 1.879 0.689 0.460 0.867 0.467 CA 1.345 16 residues pruned to eliminate duplicates Z: 6 3.033 1.534 0.979 0.331 0.600 0.200 CB 0.897 6 residues pruned to eliminate duplicates Z: 9 8.434 1.808 0.500 0.463 1.000 0.625 CB 1.142 9 residues pruned to eliminate duplicates Z: 6 3.997 1.259 0.820 0.480 0.800 0.800 N 0.996 5 residues pruned to eliminate duplicates Z: 8 8.877 1.573 0.922 0.568 1.000 0.429 CA 1.039 7 residues pruned to eliminate duplicates Z: 6 2.165 1.240 1.109 0.328 0.800 0.400 N 0.559 5 residues pruned to eliminate duplicates Z: 11 11.891 1.769 0.579 0.832 1.000 0.600 CB 1.010 11 residues pruned to eliminate duplicates Z: 16 11.085 1.693 0.628 0.605 0.867 0.600 CB 1.084 16 residues pruned to eliminate duplicates Z: 35 22.681 1.845 0.770 0.640 0.882 0.676 CB 1.184 35 residues pruned to eliminate duplicates Z: 12 15.943 1.787 0.864 0.913 0.909 0.818 CB 1.124 13 residues pruned to eliminate duplicates Z: 13 15.430 1.760 0.826 0.921 0.833 0.583 CA 1.170 13 residues pruned to eliminate duplicates Z: 13 11.384 1.841 0.456 0.706 0.833 0.667 CA 1.220 13 residues pruned to eliminate duplicates Z: 12 14.506 1.877 0.531 0.777 0.909 0.545 CA 1.310 12 residues pruned to eliminate duplicates Z: 13 14.241 1.830 0.748 0.764 0.917 0.750 CB 1.109 13 residues pruned to eliminate duplicates Z: 17 15.187 1.719 0.722 0.638 0.938 0.688 CB 1.202 17 residues pruned to eliminate duplicates Z: 13 14.046 1.701 0.915 0.810 0.917 0.667 CB 1.037 13 residues pruned to eliminate duplicates Z: 10 8.592 1.677 0.956 0.528 0.778 0.667 CA 1.092 8 residues pruned to eliminate duplicates 6 1.679 1.474 0.850 0.349 0.800 0.400 CA 0.405 ? Z: 7 6.156 1.455 1.032 0.460 1.000 0.333 CA 0.885 9 residues pruned to eliminate duplicates Z: 6 2.846 1.658 0.314 0.387 1.000 0.600 CA 0.659 Z: 6 2.592 1.634 0.408 0.245 0.800 0.400 CA 0.845 6 residues pruned to eliminate duplicates Z: 11 8.671 1.786 0.456 0.597 0.800 0.600 CA 1.202 11 residues pruned to eliminate duplicates Z: 33 19.837 1.857 0.609 0.574 0.812 0.500 CB 1.345 33 residues pruned to eliminate duplicates Z: 18 10.692 1.616 0.605 0.491 0.882 0.588 CB 1.144 18 residues pruned to eliminate duplicates Z: 8 6.635 1.473 0.742 0.879 0.857 0.714 CA 0.827 7 residues pruned to eliminate duplicates Z: 8 8.131 1.506 0.743 0.891 1.000 0.429 CA 0.842 8 residues pruned to eliminate duplicates Z: 7 7.355 1.431 0.880 0.785 1.000 0.667 CB 0.868 7 residues pruned to eliminate duplicates Z: 28 11.368 1.708 0.482 0.470 0.852 0.444 CB 1.045 28 residues pruned to eliminate duplicates Z: 10 11.939 1.926 0.583 0.670 1.000 0.556 CA 1.116 10 residues pruned to eliminate duplicates Z: 17 9.970 1.788 0.787 0.525 0.812 0.500 CB 0.937 11 residues pruned to eliminate duplicates 6 1.974 1.433 1.097 0.383 0.800 0.600 CA 0.416 ? Z: 7 4.080 1.442 0.930 0.454 0.667 0.333 N 0.940 7 residues pruned to eliminate duplicates Z: 14 9.053 1.559 0.510 0.402 0.923 0.538 CA 1.281 14 residues pruned to eliminate duplicates Z: 38 23.429 1.887 0.563 0.499 0.919 0.541 CB 1.422 9 residues pruned to eliminate duplicates Z: 6 4.401 1.559 0.639 0.322 0.800 0.400 CA 1.171 6 residues pruned to eliminate duplicates Z: 39 33.587 2.027 0.734 0.606 0.947 0.658 CB 1.479 38 residues pruned to eliminate duplicates Z: 6 2.941 1.113 0.562 0.440 1.000 0.600 C 0.804 6 residues pruned to eliminate duplicates Z: 28 24.539 2.041 0.729 0.572 0.889 0.556 CB 1.404 28 residues pruned to eliminate duplicates Z: 36 31.124 1.983 0.705 0.564 0.971 0.600 CA 1.506 47 residues pruned to eliminate duplicates Z: 20 26.617 2.091 0.521 0.763 1.000 0.737 CA 1.520 22 residues pruned to eliminate duplicates Z: 19 28.721 2.145 0.684 0.741 1.000 0.667 CB 1.510 19 residues pruned to eliminate duplicates Z: 20 24.498 2.025 0.725 0.710 0.947 0.632 CA 1.404 20 residues pruned to eliminate duplicates Z: 39 32.556 2.015 0.768 0.594 0.921 0.579 CB 1.471 40 residues pruned to eliminate duplicates Z: 19 25.609 2.055 0.573 0.759 1.000 0.667 CA 1.483 19 residues pruned to eliminate duplicates Z: 24 25.515 2.129 0.732 0.570 0.870 0.652 CB 1.551 24 residues pruned to eliminate duplicates Z: 35 27.475 1.950 0.726 0.559 0.971 0.559 CB 1.362 35 residues pruned to eliminate duplicates Z: 25 28.033 2.119 0.818 0.549 0.875 0.583 CB 1.619 25 residues pruned to eliminate duplicates Z: 24 27.704 2.144 0.766 0.561 0.913 0.565 CB 1.574 24 residues pruned to eliminate duplicates Z: 17 28.380 2.156 0.743 0.711 1.000 0.688 CB 1.560 17 residues pruned to eliminate duplicates Z: 28 29.983 2.121 0.798 0.599 0.926 0.630 CB 1.487 28 residues pruned to eliminate duplicates Z: 30 27.099 2.041 0.622 0.560 0.966 0.448 CB 1.485 30 residues pruned to eliminate duplicates Z: 30 26.551 2.076 0.616 0.577 0.966 0.552 CB 1.413 30 residues pruned to eliminate duplicates Z: 30 21.110 2.001 0.806 0.440 0.793 0.483 CB 1.455 30 residues pruned to eliminate duplicates Z: 28 29.245 2.037 0.899 0.595 0.926 0.519 CB 1.436 28 residues pruned to eliminate duplicates Z: 23 26.536 2.166 0.715 0.646 0.909 0.636 CB 1.462 23 residues pruned to eliminate duplicates Z: 45 31.152 1.928 0.789 0.554 0.955 0.568 CB 1.353 39 residues pruned to eliminate duplicates Z: 8 4.032 1.540 -0.014 0.632 0.857 0.857 CA 1.035 8 residues pruned to eliminate duplicates Z: 44 21.889 1.947 0.603 0.463 0.837 0.535 CB 1.326 35 residues pruned to eliminate duplicates Z: 14 8.837 1.410 0.804 0.718 0.846 0.538 CA 0.935 14 residues pruned to eliminate duplicates Z: 46 27.955 1.957 0.733 0.539 0.956 0.578 CB 1.237 46 residues pruned to eliminate duplicates Z: 9 7.108 1.644 0.360 0.680 0.875 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 18 12.343 1.722 0.670 0.412 0.882 0.529 CB 1.293 14 residues pruned to eliminate duplicates Z: 8 7.932 1.710 0.377 0.669 1.000 0.429 CB 1.089 8 residues pruned to eliminate duplicates Z: 18 16.326 1.761 0.806 0.514 0.882 0.529 CB 1.391 19 residues pruned to eliminate duplicates Z: 6 3.253 1.597 0.451 0.364 1.000 0.600 CA 0.727 6 residues pruned to eliminate duplicates Z: 11 20.562 1.875 1.071 0.622 1.000 0.700 CA 1.492 11 residues pruned to eliminate duplicates Z: 6 4.456 1.412 0.255 0.444 1.000 0.800 N 1.191 6 residues pruned to eliminate duplicates Z: 11 12.281 1.754 1.140 0.476 0.900 0.900 CB 1.178 11 residues pruned to eliminate duplicates Z: 12 14.825 1.701 0.981 0.574 0.909 0.545 CA 1.358 12 residues pruned to eliminate duplicates Z: 46 30.074 1.929 0.809 0.546 0.911 0.533 CB 1.349 46 residues pruned to eliminate duplicates Z: 14 13.241 1.649 1.109 0.402 0.923 0.462 CB 1.268 14 residues pruned to eliminate duplicates Z: 9 14.183 1.843 0.833 0.646 0.875 0.625 N 1.480 9 residues pruned to eliminate duplicates 473 residues left after pruning, divided into chains as follows: A: 7 B: 49 C: 26 D: 18 E: 60 F: 39 G: 138 H: 7 I: 7 J: 9 K: 57 L: 56 CC for partial structure against native data = 33.48 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.442, Connect. = 0.696 for dens.mod. cycle 1 = 0.300, Contrast = 0.503, Connect. = 0.721 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.586, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.591, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.592, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.594, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.594, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.595, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.596, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2625 peaks > 0.5 sigma used to seed fragment search Space for about 763 unique residues taking solvent into account 616 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 32 33.963 1.996 0.734 0.890 0.903 0.548 CA 1.403 B: 42 25.374 1.911 0.693 0.455 0.902 0.561 CB 1.421 C: 12 16.685 2.094 0.648 0.559 0.909 0.727 CB 1.513 D: 48 43.327 1.988 0.730 0.913 0.979 0.787 CA 1.329 32 residues pruned to eliminate duplicates E: 47 32.512 2.059 0.472 0.579 1.000 0.804 CA 1.466 F: 49 46.286 2.002 0.843 0.895 0.958 0.833 CA 1.355 48 residues pruned to eliminate duplicates G: 18 22.964 2.027 0.641 0.842 0.941 0.824 CB 1.326 18 residues pruned to eliminate duplicates H: 7 11.438 1.854 0.515 0.727 1.000 0.833 N 1.355 I: 20 31.996 1.968 0.915 0.859 0.947 0.579 CB 1.513 20 residues pruned to eliminate duplicates J: 14 15.888 1.979 0.659 0.536 0.923 0.615 CB 1.404 12 residues pruned to eliminate duplicates K: 36 32.377 2.067 0.708 0.598 0.914 0.629 CA 1.545 32 residues pruned to eliminate duplicates L: 15 15.348 1.764 0.591 0.835 1.000 0.643 CB 1.095 M: 11 16.865 1.756 0.864 0.879 0.800 0.600 CB 1.477 N: 12 16.921 1.906 0.379 0.910 1.000 0.909 CA 1.377 12 residues pruned to eliminate duplicates O: 17 30.393 2.023 1.021 0.905 0.938 0.875 CA 1.412 17 residues pruned to eliminate duplicates P: 12 18.881 1.863 0.807 0.855 1.000 0.273 CB 1.248 11 residues pruned to eliminate duplicates Q: 18 31.753 1.979 1.205 0.894 0.941 0.647 CA 1.345 18 residues pruned to eliminate duplicates R: 13 13.332 1.850 0.579 0.885 0.917 0.750 CA 1.038 13 residues pruned to eliminate duplicates S: 12 21.037 2.011 0.699 0.898 0.909 0.818 CB 1.461 12 residues pruned to eliminate duplicates T: 33 39.131 2.084 0.819 0.911 0.969 0.875 CA 1.335 33 residues pruned to eliminate duplicates U: 17 25.722 2.081 0.599 0.937 1.000 0.938 CA 1.345 17 residues pruned to eliminate duplicates V: 14 19.349 1.996 0.722 0.745 0.923 0.538 CA 1.358 W: 8 4.967 1.529 0.855 0.347 0.714 0.286 N 1.094 X: 48 49.706 2.010 0.826 0.902 1.000 0.851 CA 1.410 49 residues pruned to eliminate duplicates Y: 47 24.748 1.853 0.653 0.582 0.935 0.587 CB 1.177 Z: 12 24.079 1.916 0.902 0.915 1.000 0.636 CA 1.407 15 residues pruned to eliminate duplicates Z: 16 34.136 1.983 1.408 0.841 1.000 0.733 CB 1.376 16 residues pruned to eliminate duplicates Z: 13 14.864 1.733 0.553 0.918 1.000 1.000 CA 1.125 13 residues pruned to eliminate duplicates Z: 14 12.712 1.945 0.566 0.506 0.846 0.538 CB 1.360 14 residues pruned to eliminate duplicates Z: 11 7.250 1.787 0.934 0.428 0.800 0.500 CB 0.893 Z: 19 28.620 1.985 0.801 0.888 0.944 0.500 CB 1.440 19 residues pruned to eliminate duplicates Z: 14 11.082 1.820 0.542 0.434 0.923 0.538 CB 1.269 Z: 19 30.140 1.921 1.108 0.820 1.000 0.722 CB 1.329 17 residues pruned to eliminate duplicates Z: 17 25.677 2.095 0.655 0.826 0.938 0.625 CB 1.489 27 residues pruned to eliminate duplicates Z: 19 23.012 2.004 0.495 0.929 1.000 0.944 CA 1.267 19 residues pruned to eliminate duplicates Z: 14 19.809 1.808 0.915 0.832 1.000 0.385 CB 1.192 15 residues pruned to eliminate duplicates Z: 47 45.304 1.980 0.710 0.905 0.978 0.870 CA 1.435 48 residues pruned to eliminate duplicates Z: 29 16.786 1.776 0.752 0.490 0.893 0.500 CB 1.155 29 residues pruned to eliminate duplicates Z: 17 15.589 1.844 0.394 0.833 0.875 0.750 CA 1.300 17 residues pruned to eliminate duplicates Z: 9 10.085 1.906 0.424 0.892 0.875 0.625 CB 1.079 9 residues pruned to eliminate duplicates Z: 17 14.513 1.927 0.658 0.564 0.875 0.562 CB 1.219 7 residues pruned to eliminate duplicates Z: 6 7.797 1.873 1.065 0.440 0.600 0.400 CA 1.600 Z: 29 38.526 2.038 0.742 0.908 1.000 0.643 CB 1.457 29 residues pruned to eliminate duplicates Z: 51 32.341 2.014 0.582 0.541 0.940 0.740 CA 1.466 47 residues pruned to eliminate duplicates Z: 14 20.581 1.933 0.568 0.810 1.000 0.615 CA 1.438 14 residues pruned to eliminate duplicates Z: 14 15.348 1.972 0.694 0.557 0.846 0.692 CB 1.425 14 residues pruned to eliminate duplicates Z: 17 22.910 1.984 0.681 0.883 1.000 0.875 CA 1.241 17 residues pruned to eliminate duplicates Z: 14 11.735 1.758 0.460 0.592 0.923 0.692 CB 1.259 14 residues pruned to eliminate duplicates Z: 15 24.930 2.018 0.608 0.848 1.000 0.786 CA 1.524 15 residues pruned to eliminate duplicates Z: 32 40.369 2.056 0.905 0.871 0.935 0.806 CA 1.444 32 residues pruned to eliminate duplicates Z: 15 16.444 1.936 0.671 0.538 0.929 0.643 CB 1.409 15 residues pruned to eliminate duplicates Z: 47 48.263 2.003 0.996 0.884 0.957 0.587 CB 1.345 47 residues pruned to eliminate duplicates Z: 17 31.033 2.021 1.289 0.905 0.938 0.750 CA 1.273 19 residues pruned to eliminate duplicates Z: 15 18.238 1.925 0.734 0.828 0.786 0.429 CA 1.399 14 residues pruned to eliminate duplicates Z: 10 3.932 1.635 0.468 0.408 0.778 0.556 CB 0.773 10 residues pruned to eliminate duplicates Z: 14 23.235 1.991 0.743 0.820 1.000 0.769 CA 1.406 14 residues pruned to eliminate duplicates Z: 15 26.346 2.048 0.637 0.894 1.000 0.786 CB 1.506 15 residues pruned to eliminate duplicates Z: 7 2.834 1.752 -0.065 0.597 0.667 0.667 C 0.966 Z: 23 19.549 1.998 0.729 0.529 0.864 0.636 CA 1.358 23 residues pruned to eliminate duplicates Z: 12 17.723 1.769 0.936 0.863 1.000 0.727 CB 1.145 12 residues pruned to eliminate duplicates Z: 10 8.974 1.710 0.409 0.437 1.000 0.778 CB 1.325 Z: 21 10.827 1.592 0.691 0.381 0.900 0.400 CB 1.134 8 residues pruned to eliminate duplicates Z: 15 14.628 1.912 0.536 0.558 0.929 0.714 CA 1.355 15 residues pruned to eliminate duplicates Z: 40 32.763 2.001 0.690 0.620 0.974 0.615 CB 1.421 38 residues pruned to eliminate duplicates Z: 27 17.794 1.818 0.550 0.594 1.000 0.692 CA 1.131 27 residues pruned to eliminate duplicates Z: 10 17.498 1.942 0.700 0.911 1.000 0.778 CB 1.252 10 residues pruned to eliminate duplicates Z: 6 4.436 1.808 0.425 0.400 0.600 0.400 O 1.425 6 residues pruned to eliminate duplicates Z: 21 22.305 1.893 0.638 0.883 0.900 0.750 CB 1.292 21 residues pruned to eliminate duplicates Z: 16 11.023 1.638 0.736 0.582 0.867 0.467 CA 1.067 Z: 34 39.893 1.957 0.947 0.904 1.000 0.636 CB 1.299 34 residues pruned to eliminate duplicates Z: 15 21.355 2.019 0.429 0.852 1.000 0.786 CA 1.463 15 residues pruned to eliminate duplicates Z: 11 17.481 2.045 0.474 0.915 1.000 0.900 CA 1.297 11 residues pruned to eliminate duplicates Z: 8 6.185 1.662 0.426 0.557 1.000 0.571 CB 0.933 8 residues pruned to eliminate duplicates Z: 15 11.233 1.639 0.645 0.448 0.857 0.429 CA 1.370 15 residues pruned to eliminate duplicates Z: 15 22.658 1.867 0.830 0.886 0.929 0.714 CB 1.377 15 residues pruned to eliminate duplicates 7 1.954 1.538 0.394 0.241 0.667 0.500 CB 0.753 ? Z: 28 28.939 2.105 0.619 0.572 0.963 0.667 CB 1.582 29 residues pruned to eliminate duplicates Z: 19 20.824 1.953 0.553 0.791 0.944 0.722 CA 1.327 19 residues pruned to eliminate duplicates Z: 16 14.024 1.792 0.739 0.469 0.933 0.667 CB 1.284 Z: 13 14.048 1.737 0.484 0.852 0.917 0.750 CA 1.269 11 residues pruned to eliminate duplicates Z: 9 5.240 1.705 0.342 0.243 0.875 0.500 CB 1.246 9 residues pruned to eliminate duplicates Z: 12 10.155 1.630 0.489 0.910 1.000 0.909 CA 0.895 12 residues pruned to eliminate duplicates Z: 19 22.095 1.907 0.741 0.800 0.889 0.778 CA 1.357 19 residues pruned to eliminate duplicates Z: 12 11.081 1.733 1.092 0.432 0.727 0.364 CB 1.360 Z: 15 22.390 2.028 0.427 0.850 1.000 0.571 CB 1.531 15 residues pruned to eliminate duplicates Z: 14 10.164 1.600 0.499 0.788 1.000 0.538 CA 0.913 14 residues pruned to eliminate duplicates Z: 33 30.972 2.066 0.654 0.629 0.969 0.625 CB 1.464 29 residues pruned to eliminate duplicates Z: 10 8.845 1.622 0.878 0.570 0.889 0.667 CB 1.017 Z: 17 24.760 2.005 0.919 0.880 0.875 0.625 CA 1.332 17 residues pruned to eliminate duplicates Z: 9 6.677 1.712 0.304 0.641 1.000 0.625 CB 0.926 9 residues pruned to eliminate duplicates Z: 10 12.870 1.757 0.930 0.742 1.000 0.778 CA 1.018 Z: 15 26.908 1.971 0.813 0.883 0.929 0.500 CB 1.567 15 residues pruned to eliminate duplicates Z: 18 29.445 1.911 1.042 0.896 1.000 0.765 CB 1.311 18 residues pruned to eliminate duplicates Z: 44 24.833 1.951 0.350 0.581 0.884 0.605 CA 1.506 58 residues pruned to eliminate duplicates Z: 6 3.451 1.524 0.406 0.461 1.000 0.600 CB 0.749 5 residues pruned to eliminate duplicates Z: 43 23.209 1.851 0.629 0.596 0.976 0.548 CB 1.110 43 residues pruned to eliminate duplicates Z: 13 8.852 1.749 0.430 0.425 0.917 0.667 CA 1.205 Z: 14 18.454 1.930 0.624 0.787 0.923 0.615 CA 1.375 14 residues pruned to eliminate duplicates Z: 25 10.414 1.709 0.272 0.408 0.875 0.500 CB 1.231 16 residues pruned to eliminate duplicates Z: 16 22.254 1.979 0.752 0.825 0.867 0.667 CA 1.444 16 residues pruned to eliminate duplicates Z: 16 22.120 1.989 0.676 0.816 0.933 0.733 CA 1.394 16 residues pruned to eliminate duplicates Z: 15 8.935 1.650 0.781 0.301 0.786 0.429 CA 1.290 15 residues pruned to eliminate duplicates Z: 14 10.653 1.718 0.385 0.738 0.923 0.615 CB 1.087 14 residues pruned to eliminate duplicates Z: 15 11.682 1.505 0.510 0.845 1.000 0.714 CB 1.021 Z: 43 40.687 1.967 0.902 0.868 0.952 0.571 CB 1.288 43 residues pruned to eliminate duplicates Z: 10 6.200 1.740 0.113 0.853 1.000 0.667 CA 0.788 10 residues pruned to eliminate duplicates Z: 29 49.433 2.059 1.106 0.916 1.000 0.607 CB 1.521 29 residues pruned to eliminate duplicates Z: 21 12.681 1.752 0.654 0.352 0.900 0.500 CB 1.276 Z: 13 12.756 1.770 0.843 0.425 0.917 0.583 CB 1.331 Z: 16 32.796 2.118 0.838 0.904 1.000 0.933 CA 1.550 16 residues pruned to eliminate duplicates Z: 7 9.265 1.844 0.455 0.563 1.000 0.333 CB 1.326 Z: 13 16.450 1.758 0.533 0.849 1.000 0.917 CA 1.306 13 residues pruned to eliminate duplicates Z: 47 34.920 1.866 0.978 0.660 0.957 0.717 CA 1.258 59 residues pruned to eliminate duplicates Z: 10 5.557 1.730 -0.100 0.908 1.000 1.000 CA 0.845 10 residues pruned to eliminate duplicates Z: 8 11.057 1.855 0.620 0.589 1.000 0.429 CB 1.278 8 residues pruned to eliminate duplicates Z: 10 10.574 1.681 0.847 0.749 0.889 0.889 CB 1.022 10 residues pruned to eliminate duplicates Z: 15 9.702 1.818 0.367 0.460 0.929 0.571 CA 1.170 7 residues pruned to eliminate duplicates Z: 12 12.262 1.791 0.720 0.463 0.909 0.636 CA 1.371 Z: 14 13.973 1.808 0.335 0.856 1.000 0.846 CA 1.184 14 residues pruned to eliminate duplicates Z: 19 15.987 1.672 0.551 0.800 1.000 0.611 CA 1.118 19 residues pruned to eliminate duplicates Z: 6 5.842 1.999 0.656 0.610 0.600 0.200 CB 1.185 6 residues pruned to eliminate duplicates Z: 15 10.397 1.729 0.514 0.420 0.857 0.643 CA 1.346 11 residues pruned to eliminate duplicates Z: 9 9.248 1.851 0.372 0.891 1.000 0.875 CA 0.925 9 residues pruned to eliminate duplicates Z: 30 31.240 1.940 0.792 0.761 1.000 0.897 CA 1.323 30 residues pruned to eliminate duplicates Z: 10 13.340 1.774 0.894 0.728 0.889 0.778 CB 1.213 10 residues pruned to eliminate duplicates Z: 8 6.836 1.776 0.552 0.499 0.857 0.714 CB 1.094 Z: 46 52.160 2.040 0.998 0.908 1.000 0.756 CA 1.355 46 residues pruned to eliminate duplicates Z: 6 2.112 1.127 0.283 0.708 1.000 0.800 C 0.541 Z: 9 7.314 1.724 -0.103 0.837 1.000 0.750 CB 1.250 6 residues pruned to eliminate duplicates Z: 16 20.593 2.051 0.447 0.807 0.933 0.733 CA 1.469 16 residues pruned to eliminate duplicates Z: 6 3.002 1.488 0.717 0.490 0.600 0.600 N 0.885 Z: 48 49.644 2.011 0.873 0.924 1.000 0.851 CA 1.350 48 residues pruned to eliminate duplicates Z: 11 12.718 2.067 0.227 0.900 1.000 0.900 CA 1.132 11 residues pruned to eliminate duplicates Z: 12 17.958 2.065 0.541 0.793 0.909 0.727 CA 1.448 12 residues pruned to eliminate duplicates Z: 9 10.820 1.847 0.720 0.595 0.875 0.750 CB 1.256 9 residues pruned to eliminate duplicates Z: 8 9.506 1.621 0.694 0.495 1.000 0.714 N 1.315 7 residues pruned to eliminate duplicates Z: 46 43.628 2.057 0.646 0.903 1.000 0.889 CA 1.369 46 residues pruned to eliminate duplicates Z: 10 17.333 2.061 0.620 0.868 1.000 0.667 CA 1.264 10 residues pruned to eliminate duplicates Z: 17 21.650 2.155 0.424 0.729 1.000 0.750 CB 1.434 17 residues pruned to eliminate duplicates Z: 14 14.260 1.581 0.541 0.909 1.000 0.923 CB 1.152 15 residues pruned to eliminate duplicates Z: 10 10.628 1.613 0.510 0.871 1.000 1.000 CB 1.061 9 residues pruned to eliminate duplicates Z: 10 11.213 1.689 0.602 0.637 1.000 0.778 N 1.215 10 residues pruned to eliminate duplicates Z: 16 24.612 2.193 0.443 0.867 1.000 0.933 CB 1.469 16 residues pruned to eliminate duplicates Z: 11 14.048 1.837 0.802 0.527 1.000 0.700 CA 1.307 12 residues pruned to eliminate duplicates Z: 16 20.536 1.975 0.509 0.838 1.000 0.733 CA 1.329 16 residues pruned to eliminate duplicates Z: 14 9.646 1.619 0.811 0.386 0.846 0.538 CA 1.218 Z: 14 12.497 1.658 0.838 0.547 0.923 0.692 CA 1.177 12 residues pruned to eliminate duplicates Z: 19 24.319 1.992 0.631 0.843 0.944 0.833 CB 1.391 19 residues pruned to eliminate duplicates Z: 17 36.038 2.015 1.231 0.942 1.000 0.750 CA 1.390 17 residues pruned to eliminate duplicates Z: 16 15.099 1.872 0.554 0.547 1.000 0.667 CA 1.280 30 residues pruned to eliminate duplicates Z: 16 9.855 1.703 0.614 0.450 0.800 0.400 CB 1.218 16 residues pruned to eliminate duplicates Z: 8 6.577 1.527 0.141 0.841 1.000 0.857 CB 1.063 Z: 6 4.246 1.629 0.448 0.805 0.800 0.800 CB 0.771 6 residues pruned to eliminate duplicates Z: 15 11.925 1.825 0.733 0.444 0.929 0.714 CB 1.149 14 residues pruned to eliminate duplicates Z: 16 28.498 2.082 0.928 0.907 1.000 0.867 CA 1.303 16 residues pruned to eliminate duplicates Z: 11 15.181 1.983 0.573 0.495 1.000 0.600 CA 1.546 Z: 9 8.588 1.689 0.027 0.885 1.000 0.875 CA 1.264 Z: 17 22.243 2.074 0.365 0.858 1.000 0.750 CB 1.446 17 residues pruned to eliminate duplicates Z: 13 9.759 1.840 0.687 0.338 0.917 0.750 CA 1.181 13 residues pruned to eliminate duplicates Z: 12 13.341 1.894 0.614 0.499 0.909 0.636 CB 1.450 13 residues pruned to eliminate duplicates Z: 10 9.742 1.629 0.270 0.924 1.000 0.778 CB 1.102 10 residues pruned to eliminate duplicates Z: 6 4.186 1.417 0.391 0.473 0.800 0.800 CA 1.220 Z: 10 5.512 1.613 0.171 0.687 0.889 0.556 CB 0.922 Z: 7 9.613 1.672 0.247 0.835 1.000 1.000 C 1.410 7 residues pruned to eliminate duplicates Z: 33 31.165 1.900 0.507 0.914 0.969 0.812 CB 1.404 33 residues pruned to eliminate duplicates Z: 16 28.856 2.073 1.066 0.864 1.000 0.933 CA 1.275 16 residues pruned to eliminate duplicates Z: 14 6.878 1.771 0.442 0.323 0.692 0.538 CA 1.311 14 residues pruned to eliminate duplicates Z: 13 9.327 1.603 0.978 0.474 0.917 0.667 CB 0.951 13 residues pruned to eliminate duplicates Z: 13 12.217 1.825 0.211 0.813 1.000 0.750 CA 1.215 13 residues pruned to eliminate duplicates Z: 15 14.638 1.904 0.504 0.766 0.929 0.643 CA 1.162 15 residues pruned to eliminate duplicates Z: 13 13.185 1.860 0.946 0.435 0.917 0.583 CA 1.227 12 residues pruned to eliminate duplicates Z: 12 5.871 1.525 0.449 0.355 0.818 0.364 CB 1.146 12 residues pruned to eliminate duplicates Z: 10 4.055 1.606 -0.039 0.675 0.889 0.667 CB 0.839 Z: 6 3.604 1.452 0.324 0.424 1.000 0.400 CB 0.907 Z: 10 12.688 1.672 0.858 0.572 1.000 0.556 CA 1.269 10 residues pruned to eliminate duplicates Z: 16 11.818 1.875 0.436 0.345 1.000 0.467 CB 1.340 28 residues pruned to eliminate duplicates Z: 16 14.412 1.832 0.617 0.479 1.000 0.600 CB 1.283 13 residues pruned to eliminate duplicates Z: 12 12.880 1.676 0.862 0.880 0.909 0.727 CB 0.992 Z: 12 17.588 1.956 0.564 0.864 1.000 0.727 CA 1.271 12 residues pruned to eliminate duplicates Z: 11 4.920 1.617 0.332 0.419 0.800 0.600 CB 0.982 11 residues pruned to eliminate duplicates Z: 17 14.177 1.714 0.542 0.593 1.000 0.688 CA 1.227 17 residues pruned to eliminate duplicates Z: 9 7.013 1.547 0.640 0.641 0.875 0.750 CB 0.979 Z: 12 17.115 1.766 0.575 0.880 1.000 0.727 CA 1.345 12 residues pruned to eliminate duplicates Z: 44 29.859 2.015 0.524 0.552 0.977 0.767 CA 1.443 44 residues pruned to eliminate duplicates Z: 9 5.516 1.765 0.555 0.353 0.625 0.375 CB 1.333 9 residues pruned to eliminate duplicates Z: 9 11.885 1.818 0.665 0.918 1.000 0.875 CA 0.979 9 residues pruned to eliminate duplicates Z: 12 21.775 1.808 0.822 0.879 1.000 0.636 CB 1.445 12 residues pruned to eliminate duplicates Z: 17 25.750 1.873 0.958 0.892 1.000 0.938 CA 1.261 17 residues pruned to eliminate duplicates Z: 9 9.556 1.839 0.731 0.609 0.750 0.625 CA 1.276 23 residues pruned to eliminate duplicates Z: 14 20.918 1.914 0.785 0.855 0.923 0.615 CA 1.358 14 residues pruned to eliminate duplicates Z: 15 19.734 1.950 0.789 0.690 0.857 0.500 CB 1.482 15 residues pruned to eliminate duplicates Z: 19 26.218 2.016 0.738 0.903 1.000 0.778 CA 1.257 19 residues pruned to eliminate duplicates Z: 31 20.230 1.596 0.610 0.697 1.000 0.767 CB 1.201 5 residues pruned to eliminate duplicates Z: 10 6.998 1.621 0.333 0.876 0.889 0.778 CB 0.882 8 residues pruned to eliminate duplicates Z: 12 18.013 1.814 0.759 0.917 1.000 0.909 CA 1.201 12 residues pruned to eliminate duplicates Z: 10 9.066 1.760 0.637 0.530 0.889 0.556 CB 1.146 10 residues pruned to eliminate duplicates Z: 13 9.756 1.708 0.695 0.492 0.917 0.583 CA 1.070 Z: 11 11.980 1.759 0.632 0.617 0.900 0.800 CB 1.313 Z: 12 15.456 1.823 0.978 0.529 0.909 0.545 N 1.381 12 residues pruned to eliminate duplicates Z: 27 24.474 1.888 0.759 0.663 0.923 0.654 CB 1.346 24 residues pruned to eliminate duplicates Z: 48 36.163 1.936 0.572 0.908 0.979 0.915 CA 1.258 48 residues pruned to eliminate duplicates Z: 15 14.833 1.838 0.801 0.571 0.929 0.643 CB 1.204 11 residues pruned to eliminate duplicates Z: 11 16.175 1.580 1.059 0.898 1.000 0.600 CA 1.125 11 residues pruned to eliminate duplicates Z: 19 21.837 1.979 0.762 0.870 0.944 0.889 CA 1.141 19 residues pruned to eliminate duplicates Z: 7 14.252 1.807 1.015 0.873 1.000 1.000 CA 1.163 7 residues pruned to eliminate duplicates Z: 10 4.121 1.616 0.225 0.272 0.778 0.333 CB 1.155 Z: 12 7.389 1.585 0.520 0.346 0.909 0.636 N 1.202 12 residues pruned to eliminate duplicates Z: 11 6.818 1.474 0.521 0.623 0.800 0.700 CB 1.071 Z: 6 2.996 1.825 0.012 0.529 1.000 0.600 CB 0.705 Z: 9 9.418 1.890 0.372 0.597 0.875 0.750 CB 1.338 9 residues pruned to eliminate duplicates Z: 6 5.171 1.703 0.382 0.545 0.800 0.600 CB 1.175 Z: 8 6.751 1.636 1.333 0.371 0.714 0.429 CB 1.075 Z: 15 21.305 2.014 0.373 0.892 1.000 0.857 CA 1.480 15 residues pruned to eliminate duplicates Z: 18 21.934 1.996 0.726 0.769 0.941 0.588 CB 1.292 18 residues pruned to eliminate duplicates Z: 11 10.959 1.883 0.554 0.720 0.700 0.500 CB 1.387 11 residues pruned to eliminate duplicates Z: 48 27.936 2.024 0.496 0.528 0.936 0.638 CA 1.398 48 residues pruned to eliminate duplicates Z: 14 14.880 1.855 0.451 0.810 0.923 0.615 CB 1.268 14 residues pruned to eliminate duplicates Z: 9 2.590 1.546 0.272 0.424 0.750 0.250 CB 0.672 8 residues pruned to eliminate duplicates Z: 7 3.062 1.476 0.195 0.393 0.833 0.500 CA 0.952 Z: 50 20.732 1.717 0.599 0.508 0.918 0.469 CB 1.165 50 residues pruned to eliminate duplicates Z: 7 6.738 1.700 0.457 0.580 1.000 0.667 CA 1.028 Z: 8 9.055 1.842 0.485 0.850 1.000 0.857 CA 0.927 8 residues pruned to eliminate duplicates Z: 31 16.732 1.885 0.410 0.562 0.933 0.633 CA 1.160 31 residues pruned to eliminate duplicates Z: 11 7.339 1.573 0.357 0.732 0.800 0.600 CB 1.103 11 residues pruned to eliminate duplicates Z: 11 6.762 1.690 0.304 0.514 0.800 0.600 CB 1.196 Z: 15 14.921 1.909 0.471 0.538 1.000 0.714 CB 1.369 16 residues pruned to eliminate duplicates Z: 25 41.443 2.016 1.235 0.901 0.958 0.500 CB 1.399 25 residues pruned to eliminate duplicates Z: 12 16.059 1.836 0.434 0.870 1.000 1.000 CB 1.343 12 residues pruned to eliminate duplicates Z: 13 10.677 1.583 0.378 0.872 1.000 0.833 CB 1.030 12 residues pruned to eliminate duplicates Z: 23 16.617 1.811 0.567 0.579 0.909 0.409 CA 1.272 21 residues pruned to eliminate duplicates Z: 7 3.589 1.406 0.216 0.490 0.833 0.333 CB 1.038 Z: 11 8.211 1.567 0.104 0.860 1.000 0.800 CA 1.103 10 residues pruned to eliminate duplicates Z: 13 4.231 1.579 0.552 0.208 0.750 0.417 CB 0.939 Z: 6 3.066 1.512 0.020 0.610 0.800 0.600 O 1.001 6 residues pruned to eliminate duplicates Z: 20 7.541 1.612 0.564 0.364 0.789 0.526 CB 1.006 28 residues pruned to eliminate duplicates Z: 10 15.914 1.908 0.770 0.686 1.000 0.556 CB 1.324 10 residues pruned to eliminate duplicates Z: 18 14.289 1.680 0.588 0.569 0.941 0.706 CB 1.291 25 residues pruned to eliminate duplicates Z: 52 41.649 2.071 0.686 0.625 0.980 0.725 CA 1.514 51 residues pruned to eliminate duplicates Z: 6 10.028 1.800 1.148 0.650 0.800 0.800 CB 1.261 9 residues pruned to eliminate duplicates Z: 10 12.453 1.677 0.665 0.800 1.000 0.778 CA 1.144 10 residues pruned to eliminate duplicates Z: 16 10.658 1.713 0.509 0.492 0.867 0.667 CA 1.238 15 residues pruned to eliminate duplicates Z: 14 9.088 1.448 0.494 0.664 1.000 0.385 CB 1.000 Z: 10 8.468 1.731 0.636 0.485 0.889 0.778 CB 1.139 11 residues pruned to eliminate duplicates Z: 7 5.530 1.573 0.471 0.591 0.833 0.500 CA 1.073 7 residues pruned to eliminate duplicates Z: 7 9.092 1.738 1.072 0.546 0.833 0.667 CB 1.183 Z: 11 17.146 2.028 0.706 0.615 1.000 0.800 CB 1.406 Z: 7 7.629 1.625 0.559 0.569 1.000 0.500 CA 1.150 5 residues pruned to eliminate duplicates Z: 14 10.496 1.733 0.665 0.421 1.000 0.692 CB 1.095 20 residues pruned to eliminate duplicates Z: 6 4.039 1.679 0.112 0.606 1.000 0.600 CA 0.874 Z: 7 4.437 1.715 -0.098 0.561 0.833 0.667 N 1.325 Z: 46 48.390 2.068 0.844 0.914 1.000 0.822 CA 1.337 46 residues pruned to eliminate duplicates Z: 14 14.634 1.547 0.961 0.898 1.000 1.000 CB 0.957 14 residues pruned to eliminate duplicates Z: 6 2.719 1.423 0.398 0.471 0.800 0.600 CA 0.787 6 residues pruned to eliminate duplicates Z: 10 7.890 1.585 0.202 0.847 1.000 0.889 CB 1.025 10 residues pruned to eliminate duplicates Z: 6 2.862 1.605 0.698 0.472 0.600 0.400 CB 0.805 Z: 6 4.058 1.635 0.615 0.469 0.600 0.600 N 1.183 4 residues pruned to eliminate duplicates Z: 15 23.627 2.007 0.652 0.856 0.929 0.714 CA 1.513 15 residues pruned to eliminate duplicates Z: 33 29.004 2.029 0.681 0.613 0.938 0.625 CB 1.441 33 residues pruned to eliminate duplicates Z: 9 9.283 1.631 0.660 0.708 1.000 1.000 N 1.003 Z: 16 8.992 1.679 0.501 0.431 0.933 0.667 CB 1.060 16 residues pruned to eliminate duplicates Z: 12 11.202 1.794 0.369 0.910 1.000 0.636 CA 0.976 12 residues pruned to eliminate duplicates Z: 15 8.820 1.403 0.532 0.805 0.929 0.643 CB 0.905 15 residues pruned to eliminate duplicates Z: 43 23.959 1.848 0.687 0.633 0.905 0.476 CB 1.157 43 residues pruned to eliminate duplicates Z: 20 17.220 1.660 0.724 0.786 0.895 0.421 CB 1.199 15 residues pruned to eliminate duplicates Z: 6 2.788 1.717 0.659 0.395 0.600 0.400 CB 0.815 Z: 7 4.295 1.648 0.151 0.560 1.000 0.667 CB 0.872 7 residues pruned to eliminate duplicates Z: 17 20.393 2.120 0.659 0.737 0.875 0.625 CB 1.340 17 residues pruned to eliminate duplicates Z: 18 12.054 1.806 0.440 0.466 0.941 0.588 CA 1.236 16 residues pruned to eliminate duplicates Z: 11 13.077 1.912 0.394 0.914 1.000 0.900 CA 1.097 11 residues pruned to eliminate duplicates Z: 30 28.492 1.966 0.711 0.780 1.000 0.793 CA 1.228 30 residues pruned to eliminate duplicates Z: 16 23.010 1.923 0.567 0.872 1.000 0.733 CA 1.437 16 residues pruned to eliminate duplicates Z: 11 12.703 1.863 0.485 0.713 0.900 0.500 CB 1.330 11 residues pruned to eliminate duplicates Z: 30 32.536 2.111 0.686 0.609 0.966 0.655 CB 1.585 30 residues pruned to eliminate duplicates Z: 14 6.396 1.750 0.008 0.533 0.846 0.615 CA 1.152 14 residues pruned to eliminate duplicates Z: 8 14.963 1.862 1.285 0.887 0.857 0.714 CB 1.118 8 residues pruned to eliminate duplicates Z: 12 9.939 1.650 0.767 0.441 0.818 0.545 CA 1.335 12 residues pruned to eliminate duplicates Z: 10 8.630 1.708 0.428 0.519 1.000 0.667 CB 1.157 10 residues pruned to eliminate duplicates Z: 12 8.455 1.579 0.759 0.528 0.818 0.636 CA 1.092 Z: 8 6.405 1.547 0.595 0.473 1.000 0.286 CB 1.009 Z: 11 8.475 1.660 0.585 0.515 0.800 0.600 CB 1.254 11 residues pruned to eliminate duplicates Z: 16 8.651 1.803 0.535 0.334 0.867 0.467 CB 1.116 16 residues pruned to eliminate duplicates Z: 11 13.032 1.508 1.130 0.920 0.900 0.600 CB 1.004 11 residues pruned to eliminate duplicates Z: 48 46.993 2.020 0.873 0.924 0.957 0.745 CA 1.329 48 residues pruned to eliminate duplicates Z: 8 5.347 1.328 0.599 0.745 0.714 0.429 C 1.070 8 residues pruned to eliminate duplicates Z: 6 3.282 1.439 0.055 0.811 1.000 0.800 CB 0.737 6 residues pruned to eliminate duplicates Z: 44 28.188 2.003 0.651 0.591 0.930 0.581 CB 1.280 44 residues pruned to eliminate duplicates Z: 7 10.028 1.656 0.476 0.804 1.000 0.667 CA 1.284 7 residues pruned to eliminate duplicates Z: 6 3.892 1.568 0.359 0.589 0.800 0.400 N 0.938 Z: 15 14.674 1.781 0.819 0.529 1.000 0.643 CB 1.177 23 residues pruned to eliminate duplicates Z: 14 10.097 1.768 0.696 0.551 0.846 0.769 CB 1.051 Z: 11 14.385 1.838 0.705 0.510 1.000 0.500 CA 1.438 10 residues pruned to eliminate duplicates Z: 14 16.609 1.674 0.521 0.828 1.000 0.615 CA 1.362 13 residues pruned to eliminate duplicates Z: 8 8.866 1.479 0.632 0.859 1.000 0.857 CB 1.022 8 residues pruned to eliminate duplicates Z: 23 13.272 1.669 0.547 0.506 0.864 0.500 CB 1.261 23 residues pruned to eliminate duplicates Z: 15 10.093 1.791 0.341 0.412 0.929 0.429 CA 1.326 15 residues pruned to eliminate duplicates Z: 18 9.037 1.618 0.327 0.546 0.941 0.529 CB 1.037 18 residues pruned to eliminate duplicates 6 1.848 1.204 0.407 0.604 0.800 0.400 N 0.552 ? Z: 13 12.158 1.795 0.941 0.665 0.833 0.333 CB 1.038 13 residues pruned to eliminate duplicates Z: 13 10.312 1.603 0.506 0.903 1.000 0.833 CB 0.879 13 residues pruned to eliminate duplicates Z: 20 21.079 1.829 0.705 0.858 0.947 0.737 CB 1.205 20 residues pruned to eliminate duplicates Z: 18 10.692 1.849 0.499 0.484 0.824 0.588 CA 1.154 18 residues pruned to eliminate duplicates Z: 6 3.893 1.440 1.138 0.489 0.600 0.600 CA 0.954 Z: 14 10.178 1.921 0.638 0.464 0.769 0.615 CB 1.210 14 residues pruned to eliminate duplicates Z: 7 2.553 1.538 0.280 0.323 0.833 0.333 CB 0.772 Z: 11 6.432 1.797 0.289 0.510 0.700 0.500 CA 1.242 11 residues pruned to eliminate duplicates Z: 15 14.078 1.775 0.691 0.567 0.929 0.857 CB 1.265 15 residues pruned to eliminate duplicates Z: 9 14.732 1.867 0.755 0.765 0.875 0.875 N 1.436 9 residues pruned to eliminate duplicates Z: 9 3.207 1.527 0.563 0.571 0.625 0.375 CB 0.710 9 residues pruned to eliminate duplicates Z: 7 8.126 1.980 0.411 0.395 1.000 0.500 CB 1.328 7 residues pruned to eliminate duplicates 6 1.651 1.558 -0.214 0.350 0.800 0.600 CB 0.887 ? Z: 18 7.811 1.470 0.459 0.433 0.882 0.529 N 1.074 Z: 21 12.591 1.739 0.431 0.426 1.000 0.600 CB 1.222 21 residues pruned to eliminate duplicates Z: 12 14.992 1.755 0.631 0.859 0.909 0.636 CB 1.278 12 residues pruned to eliminate duplicates Z: 8 8.808 1.735 0.743 0.533 1.000 0.714 CA 1.066 7 residues pruned to eliminate duplicates Z: 12 24.865 1.957 1.048 0.933 1.000 0.818 CA 1.306 12 residues pruned to eliminate duplicates Z: 9 11.259 1.757 0.645 0.593 1.000 0.750 CB 1.260 8 residues pruned to eliminate duplicates Z: 8 5.548 1.821 0.330 0.886 1.000 1.000 CA 0.624 8 residues pruned to eliminate duplicates Z: 9 6.827 1.646 0.196 0.475 1.000 0.750 C 1.257 Z: 7 3.819 1.543 0.131 0.469 0.833 0.500 CB 1.108 Z: 6 4.716 1.597 0.169 0.589 0.800 0.600 N 1.298 Z: 10 11.406 1.617 0.524 0.620 1.000 0.778 CA 1.377 10 residues pruned to eliminate duplicates Z: 45 23.315 1.861 0.544 0.530 0.886 0.568 CA 1.340 45 residues pruned to eliminate duplicates Z: 8 3.188 1.517 -0.189 0.630 1.000 0.571 CB 0.867 7 residues pruned to eliminate duplicates Z: 11 12.573 1.650 0.777 0.908 1.000 0.900 CB 0.963 11 residues pruned to eliminate duplicates Z: 15 16.118 1.748 0.856 0.761 0.929 0.571 CB 1.134 15 residues pruned to eliminate duplicates Z: 9 12.644 2.014 0.179 0.904 1.000 1.000 CA 1.342 9 residues pruned to eliminate duplicates Z: 8 4.326 1.355 0.140 0.839 0.857 0.714 CB 0.922 8 residues pruned to eliminate duplicates Z: 10 8.629 1.721 0.911 0.771 0.889 0.778 CA 0.774 10 residues pruned to eliminate duplicates Z: 10 9.885 1.800 0.497 0.364 1.000 0.667 CB 1.416 10 residues pruned to eliminate duplicates Z: 17 19.841 1.754 1.301 0.834 0.812 0.500 CB 1.133 17 residues pruned to eliminate duplicates Z: 15 16.306 2.106 0.254 0.831 0.929 0.857 CB 1.334 15 residues pruned to eliminate duplicates Z: 14 14.169 1.544 0.943 0.919 1.000 0.846 CB 0.923 14 residues pruned to eliminate duplicates Z: 11 7.075 1.777 0.339 0.603 0.800 0.300 CB 1.066 11 residues pruned to eliminate duplicates Z: 15 13.664 1.864 0.552 0.584 0.929 0.714 CB 1.254 28 residues pruned to eliminate duplicates Z: 14 5.751 1.592 0.600 0.365 0.692 0.308 CB 1.046 14 residues pruned to eliminate duplicates Z: 11 10.194 1.740 0.589 0.511 1.000 0.600 CB 1.153 11 residues pruned to eliminate duplicates Z: 18 15.841 1.876 0.661 0.459 1.000 0.765 CA 1.286 18 residues pruned to eliminate duplicates Z: 8 9.787 1.720 0.732 0.579 0.857 0.714 O 1.342 Z: 19 6.684 1.599 0.491 0.330 0.778 0.389 CB 1.024 19 residues pruned to eliminate duplicates Z: 14 15.291 1.600 0.924 0.926 1.000 0.769 CB 0.966 14 residues pruned to eliminate duplicates Z: 9 5.206 1.438 0.256 0.454 1.000 0.750 O 1.069 9 residues pruned to eliminate duplicates Z: 15 14.182 1.549 0.611 0.903 1.000 0.714 CB 1.082 15 residues pruned to eliminate duplicates Z: 6 2.855 1.537 0.829 0.502 1.000 0.600 CB 0.453 Z: 6 3.312 1.463 0.343 0.414 0.800 0.800 CB 1.032 Z: 9 3.113 1.325 0.241 0.596 0.875 0.750 CB 0.698 9 residues pruned to eliminate duplicates Z: 23 35.397 1.974 1.025 0.903 0.955 0.591 CB 1.410 23 residues pruned to eliminate duplicates Z: 7 3.304 1.571 0.293 0.370 0.833 0.667 CA 0.916 7 residues pruned to eliminate duplicates Z: 17 14.694 1.797 0.817 0.455 0.875 0.625 CA 1.345 17 residues pruned to eliminate duplicates Z: 13 18.259 1.724 0.736 0.879 1.000 0.583 CA 1.277 13 residues pruned to eliminate duplicates Z: 9 4.156 1.446 0.451 0.300 0.750 0.250 CB 1.167 Z: 6 2.084 1.150 0.741 0.443 0.800 0.400 N 0.617 Z: 15 9.485 1.685 0.652 0.392 0.786 0.643 CB 1.299 15 residues pruned to eliminate duplicates Z: 6 3.097 1.472 0.464 0.230 0.800 0.400 CA 1.101 6 residues pruned to eliminate duplicates Z: 7 4.937 1.597 0.778 0.387 1.000 0.500 CB 0.800 4 residues pruned to eliminate duplicates Z: 9 6.462 1.674 -0.143 0.925 1.000 1.000 CA 1.117 9 residues pruned to eliminate duplicates Z: 9 21.852 2.126 0.731 0.909 1.000 0.500 CA 1.490 9 residues pruned to eliminate duplicates Z: 8 3.381 1.644 -0.140 0.565 0.857 0.429 CB 0.990 Z: 41 29.321 1.973 0.618 0.589 0.975 0.625 CB 1.368 41 residues pruned to eliminate duplicates Z: 9 7.427 1.497 0.300 0.862 1.000 0.875 CB 0.991 9 residues pruned to eliminate duplicates Z: 11 5.676 1.769 0.314 0.594 0.700 0.300 CB 1.008 11 residues pruned to eliminate duplicates Z: 12 11.369 1.771 0.514 0.437 1.000 0.727 N 1.364 12 residues pruned to eliminate duplicates Z: 6 2.813 1.463 0.478 0.302 0.800 0.600 N 0.906 Z: 17 5.455 1.538 -0.071 0.398 1.000 0.562 CB 1.063 12 residues pruned to eliminate duplicates Z: 8 12.705 1.824 0.956 0.652 0.857 0.714 N 1.363 8 residues pruned to eliminate duplicates Z: 10 17.127 1.847 1.024 0.917 1.000 0.556 CB 1.078 10 residues pruned to eliminate duplicates Z: 9 4.726 1.514 0.771 0.405 0.750 0.625 CA 0.918 9 residues pruned to eliminate duplicates Z: 33 18.274 1.571 0.611 0.635 0.969 0.562 CB 1.161 34 residues pruned to eliminate duplicates Z: 11 3.281 1.454 0.577 0.162 0.600 0.400 CA 1.139 11 residues pruned to eliminate duplicates Z: 12 10.019 1.683 0.237 0.632 1.000 0.636 N 1.282 12 residues pruned to eliminate duplicates Z: 10 10.527 1.651 0.338 0.893 1.000 0.889 CB 1.141 11 residues pruned to eliminate duplicates Z: 10 5.607 1.438 0.174 0.912 0.889 0.778 CB 0.882 10 residues pruned to eliminate duplicates Z: 6 8.196 1.663 0.663 0.691 1.000 0.800 CA 1.113 6 residues pruned to eliminate duplicates Z: 6 6.544 1.665 0.419 0.808 1.000 0.800 CB 0.947 6 residues pruned to eliminate duplicates Z: 21 9.892 1.750 0.206 0.434 0.850 0.600 CB 1.319 20 residues pruned to eliminate duplicates Z: 10 5.774 1.569 -0.207 0.894 1.000 0.778 CA 1.110 10 residues pruned to eliminate duplicates Z: 11 5.708 1.597 0.309 0.806 0.900 0.700 CB 0.734 11 residues pruned to eliminate duplicates Z: 10 13.606 1.726 0.695 0.591 1.000 0.556 CA 1.421 10 residues pruned to eliminate duplicates Z: 13 13.752 1.587 0.815 0.887 0.917 0.833 CB 1.083 13 residues pruned to eliminate duplicates Z: 31 36.206 2.024 0.979 0.901 0.967 0.833 CA 1.218 31 residues pruned to eliminate duplicates Z: 7 3.990 1.192 0.635 0.750 1.000 0.667 N 0.669 7 1.810 1.390 0.263 0.522 0.667 0.500 CB 0.618 ? Z: 24 27.761 2.131 0.659 0.647 0.913 0.522 CB 1.563 24 residues pruned to eliminate duplicates Z: 9 6.777 1.638 0.811 0.407 0.875 0.750 CB 1.018 9 residues pruned to eliminate duplicates Z: 9 4.587 1.552 0.282 0.626 1.000 0.500 CB 0.723 Z: 34 29.234 2.066 0.526 0.593 1.000 0.788 CA 1.477 34 residues pruned to eliminate duplicates Z: 6 2.928 1.543 0.029 0.282 1.000 0.200 CB 1.055 Z: 13 11.064 1.754 0.777 0.407 1.000 0.583 CB 1.129 13 residues pruned to eliminate duplicates Z: 11 5.451 1.669 0.073 0.548 0.900 0.700 CB 1.020 11 residues pruned to eliminate duplicates Z: 12 10.412 1.633 0.436 0.907 0.909 0.909 CB 1.046 12 residues pruned to eliminate duplicates Z: 11 6.210 1.557 0.349 0.825 1.000 0.700 CB 0.705 11 residues pruned to eliminate duplicates Z: 11 12.870 1.876 0.953 0.516 0.900 0.700 CB 1.215 12 residues pruned to eliminate duplicates Z: 11 12.984 1.820 0.525 0.867 0.900 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 13 6.734 1.680 0.770 0.406 0.750 0.750 CB 0.962 Z: 14 10.505 1.559 0.706 0.830 0.923 0.615 CB 0.892 14 residues pruned to eliminate duplicates Z: 47 28.247 1.973 0.534 0.559 0.913 0.587 CA 1.423 47 residues pruned to eliminate duplicates Z: 8 2.454 1.808 0.071 0.129 0.571 0.143 CB 1.334 Z: 6 4.917 1.738 0.649 0.832 0.800 0.600 CA 0.720 6 residues pruned to eliminate duplicates Z: 8 6.549 1.406 0.501 0.599 1.000 0.714 CB 1.068 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds 6 1.441 1.178 0.344 0.293 0.600 0.400 CA 0.856 ? Z: 6 3.640 1.673 0.084 0.365 1.000 0.600 CA 1.039 6 residues pruned to eliminate duplicates Z: 12 6.149 1.806 0.486 0.339 0.818 0.455 CB 1.007 12 residues pruned to eliminate duplicates Z: 13 8.920 1.739 0.461 0.644 0.917 0.667 CA 0.967 13 residues pruned to eliminate duplicates Z: 39 18.789 1.839 0.552 0.512 0.895 0.658 CA 1.179 39 residues pruned to eliminate duplicates Z: 36 21.287 1.907 0.559 0.581 0.886 0.600 CA 1.264 36 residues pruned to eliminate duplicates Z: 8 8.958 1.874 0.425 0.865 1.000 0.857 CA 0.929 8 residues pruned to eliminate duplicates Z: 48 25.280 1.905 0.583 0.546 0.936 0.617 CA 1.249 48 residues pruned to eliminate duplicates Z: 28 23.087 1.857 0.839 0.597 0.926 0.630 CA 1.281 28 residues pruned to eliminate duplicates Z: 25 21.970 1.836 0.790 0.696 0.958 0.833 CA 1.190 25 residues pruned to eliminate duplicates Z: 26 19.919 1.877 0.784 0.612 0.880 0.720 CA 1.216 26 residues pruned to eliminate duplicates Z: 44 26.502 1.887 0.768 0.588 0.930 0.628 CA 1.197 58 residues pruned to eliminate duplicates Z: 14 17.695 1.904 0.697 0.789 1.000 0.615 CA 1.179 14 residues pruned to eliminate duplicates Z: 42 20.850 1.841 0.823 0.492 0.829 0.610 CB 1.180 42 residues pruned to eliminate duplicates Z: 32 19.761 1.877 0.607 0.583 0.935 0.613 CA 1.161 32 residues pruned to eliminate duplicates Z: 45 21.729 1.863 0.628 0.489 0.886 0.545 CB 1.232 45 residues pruned to eliminate duplicates Z: 14 14.920 1.897 0.623 0.825 0.923 0.538 CA 1.099 14 residues pruned to eliminate duplicates Z: 46 20.368 1.848 0.650 0.495 0.867 0.533 CB 1.155 46 residues pruned to eliminate duplicates Z: 44 20.533 1.869 0.502 0.509 0.953 0.558 CB 1.159 44 residues pruned to eliminate duplicates Z: 46 23.369 1.828 0.658 0.398 0.956 0.533 CA 1.340 46 residues pruned to eliminate duplicates Z: 47 26.608 1.922 0.696 0.542 0.957 0.652 CB 1.208 48 residues pruned to eliminate duplicates Z: 8 10.712 1.839 0.495 0.864 0.857 0.714 CA 1.260 8 residues pruned to eliminate duplicates Z: 44 24.488 1.893 0.553 0.535 0.977 0.628 CB 1.256 44 residues pruned to eliminate duplicates Z: 36 23.307 1.854 0.665 0.591 0.943 0.600 CB 1.241 36 residues pruned to eliminate duplicates Z: 44 23.080 1.889 0.679 0.524 0.977 0.465 CB 1.109 44 residues pruned to eliminate duplicates Z: 48 27.807 1.910 0.800 0.539 0.979 0.638 CB 1.160 48 residues pruned to eliminate duplicates Z: 10 8.940 1.792 0.955 0.648 0.778 0.444 CB 0.953 10 residues pruned to eliminate duplicates Z: 45 24.756 1.853 0.766 0.562 0.955 0.500 CB 1.125 45 residues pruned to eliminate duplicates Z: 47 26.329 1.900 0.723 0.557 0.957 0.543 CB 1.174 47 residues pruned to eliminate duplicates Z: 6 2.811 1.572 0.859 0.392 0.600 0.600 CA 0.804 Z: 9 5.060 1.542 0.487 0.600 0.875 0.500 CB 0.811 9 residues pruned to eliminate duplicates Z: 8 6.200 1.625 0.383 0.516 0.857 0.571 CB 1.197 8 residues pruned to eliminate duplicates Z: 8 5.836 1.632 0.313 0.511 0.857 0.286 CB 1.188 8 residues pruned to eliminate duplicates Z: 9 5.171 1.591 0.352 0.459 0.750 0.375 CB 1.181 9 residues pruned to eliminate duplicates Z: 19 8.510 1.653 0.263 0.497 0.944 0.667 CB 1.020 19 residues pruned to eliminate duplicates Z: 19 9.357 1.662 0.421 0.528 0.944 0.611 CB 0.961 19 residues pruned to eliminate duplicates Z: 25 13.813 1.755 0.461 0.489 0.958 0.625 CB 1.159 25 residues pruned to eliminate duplicates Z: 20 9.844 1.715 0.372 0.363 0.947 0.526 CB 1.174 20 residues pruned to eliminate duplicates Z: 7 4.430 1.649 0.311 0.525 0.833 0.500 CB 0.980 Z: 27 12.285 1.693 0.407 0.474 0.923 0.577 CB 1.126 34 residues pruned to eliminate duplicates Z: 6 4.861 1.542 0.891 0.412 1.000 0.400 CA 0.818 6 residues pruned to eliminate duplicates Z: 11 9.346 1.727 0.478 0.482 1.000 0.800 CB 1.179 11 residues pruned to eliminate duplicates Z: 6 3.196 1.390 0.549 0.416 0.800 0.600 N 0.906 6 residues pruned to eliminate duplicates Z: 11 16.635 1.850 1.117 0.497 1.000 0.600 CB 1.347 12 residues pruned to eliminate duplicates 6 1.945 1.387 0.872 0.273 0.600 0.600 CA 0.722 ? Z: 6 5.643 1.533 0.971 0.491 1.000 1.000 CA 0.843 6 residues pruned to eliminate duplicates Z: 12 13.687 1.850 0.794 0.488 0.909 0.818 CA 1.385 12 residues pruned to eliminate duplicates Z: 16 14.770 1.792 0.809 0.527 0.933 0.667 CA 1.228 16 residues pruned to eliminate duplicates Z: 13 13.718 1.813 0.897 0.433 1.000 0.417 CA 1.234 13 residues pruned to eliminate duplicates Z: 23 14.966 1.694 0.746 0.471 0.909 0.409 CB 1.222 23 residues pruned to eliminate duplicates Z: 15 8.762 1.584 0.886 0.308 0.786 0.357 CA 1.234 15 residues pruned to eliminate duplicates Z: 16 12.334 1.763 0.588 0.369 0.933 0.533 CA 1.402 39 residues pruned to eliminate duplicates Z: 6 2.353 1.282 0.954 0.389 0.800 0.600 CA 0.591 Z: 6 3.701 1.361 0.871 0.451 1.000 0.800 CA 0.683 5 residues pruned to eliminate duplicates Z: 17 14.376 1.813 0.368 0.729 0.938 0.625 CA 1.257 Z: 17 18.331 1.897 0.542 0.695 1.000 0.562 CA 1.311 16 residues pruned to eliminate duplicates Z: 12 16.557 1.996 0.536 0.834 0.909 0.727 CA 1.342 12 residues pruned to eliminate duplicates Z: 26 13.576 1.798 0.383 0.496 0.920 0.520 CB 1.192 19 residues pruned to eliminate duplicates Z: 15 26.169 1.959 0.754 0.827 1.000 0.643 CA 1.534 25 residues pruned to eliminate duplicates Z: 16 20.899 1.872 0.795 0.803 0.933 0.667 CA 1.320 16 residues pruned to eliminate duplicates Z: 23 21.915 1.881 0.726 0.709 0.955 0.636 CA 1.248 23 residues pruned to eliminate duplicates Z: 11 23.063 2.083 0.741 0.921 1.000 0.800 CB 1.415 12 residues pruned to eliminate duplicates Z: 15 21.203 1.948 0.794 0.815 0.857 0.714 CA 1.438 15 residues pruned to eliminate duplicates Z: 16 19.717 1.998 0.650 0.652 0.933 0.600 CB 1.435 16 residues pruned to eliminate duplicates Z: 18 17.425 1.919 0.725 0.587 0.882 0.529 CA 1.331 18 residues pruned to eliminate duplicates Z: 25 21.016 1.839 0.678 0.630 0.917 0.542 CB 1.342 20 residues pruned to eliminate duplicates Z: 16 18.940 1.887 0.693 0.742 0.867 0.733 CA 1.422 16 residues pruned to eliminate duplicates Z: 23 20.351 1.847 0.712 0.570 0.909 0.500 CA 1.411 23 residues pruned to eliminate duplicates Z: 30 22.561 1.883 0.398 0.691 0.966 0.724 CA 1.384 30 residues pruned to eliminate duplicates Z: 25 19.738 1.826 0.569 0.655 0.958 0.583 CA 1.271 25 residues pruned to eliminate duplicates Z: 30 16.357 1.829 0.486 0.592 0.828 0.483 CB 1.237 30 residues pruned to eliminate duplicates Z: 40 27.574 1.898 0.691 0.628 0.923 0.615 CA 1.322 40 residues pruned to eliminate duplicates Z: 30 17.195 1.812 0.700 0.528 0.793 0.483 CB 1.272 30 residues pruned to eliminate duplicates Z: 19 17.439 1.866 0.504 0.710 0.889 0.500 CB 1.362 19 residues pruned to eliminate duplicates Z: 20 13.413 1.868 0.422 0.610 0.789 0.579 CB 1.323 20 residues pruned to eliminate duplicates Z: 24 14.122 1.811 0.394 0.520 0.826 0.565 CB 1.384 24 residues pruned to eliminate duplicates Z: 36 23.787 1.883 0.552 0.616 0.943 0.457 CB 1.307 36 residues pruned to eliminate duplicates Z: 28 18.822 1.906 0.687 0.657 0.852 0.519 CB 1.144 28 residues pruned to eliminate duplicates Z: 37 23.179 1.864 0.654 0.621 0.917 0.556 CB 1.220 37 residues pruned to eliminate duplicates Z: 8 5.701 1.865 0.664 0.613 0.714 0.571 CB 0.874 8 residues pruned to eliminate duplicates Z: 12 5.642 1.839 0.316 0.393 0.818 0.545 CB 0.961 12 residues pruned to eliminate duplicates Z: 14 10.305 1.919 0.662 0.403 0.846 0.538 CB 1.173 14 residues pruned to eliminate duplicates Z: 25 15.646 1.809 0.665 0.558 0.792 0.542 CB 1.266 25 residues pruned to eliminate duplicates Z: 12 12.178 1.821 0.774 0.505 0.909 0.636 CB 1.244 11 residues pruned to eliminate duplicates Z: 6 2.894 1.392 0.605 0.396 0.800 0.400 CA 0.809 Z: 7 2.952 1.317 0.712 0.484 1.000 0.667 CA 0.543 6 residues pruned to eliminate duplicates Z: 7 3.546 1.280 0.426 0.300 1.000 0.333 CB 0.992 7 residues pruned to eliminate duplicates Z: 10 10.336 1.852 0.724 0.535 0.889 0.444 CB 1.172 10 residues pruned to eliminate duplicates Z: 25 11.103 1.854 0.416 0.421 0.792 0.667 CB 1.183 25 residues pruned to eliminate duplicates Z: 16 19.778 1.877 0.863 0.544 1.000 0.733 CB 1.398 15 residues pruned to eliminate duplicates Z: 6 6.770 1.725 0.376 0.467 1.000 0.600 CA 1.319 6 residues pruned to eliminate duplicates Z: 17 12.431 1.801 0.687 0.446 0.875 0.688 CB 1.236 17 residues pruned to eliminate duplicates Z: 9 4.941 1.546 0.291 0.681 0.875 0.500 CB 0.848 8 residues pruned to eliminate duplicates Z: 6 3.232 1.392 0.360 0.429 1.000 0.400 CB 0.822 6 residues pruned to eliminate duplicates Z: 17 11.322 1.773 0.784 0.306 0.875 0.562 CB 1.269 17 residues pruned to eliminate duplicates Z: 17 16.218 1.851 0.949 0.381 0.938 0.625 CA 1.361 17 residues pruned to eliminate duplicates Z: 9 9.904 1.829 0.520 0.432 1.000 0.500 CA 1.351 9 residues pruned to eliminate duplicates Z: 15 12.601 1.867 0.675 0.344 0.929 0.571 CA 1.374 15 residues pruned to eliminate duplicates Z: 22 13.518 1.793 0.630 0.438 0.857 0.571 CA 1.256 22 residues pruned to eliminate duplicates Z: 23 15.268 1.852 0.479 0.475 1.000 0.682 CA 1.218 23 residues pruned to eliminate duplicates Z: 18 16.445 1.896 0.716 0.435 1.000 0.706 CA 1.312 18 residues pruned to eliminate duplicates Z: 25 17.639 1.848 0.551 0.534 0.958 0.750 CA 1.268 35 residues pruned to eliminate duplicates Z: 7 3.686 1.477 0.793 0.407 0.667 0.333 CA 0.940 7 residues pruned to eliminate duplicates Z: 22 16.216 1.894 0.580 0.415 0.952 0.619 CA 1.357 22 residues pruned to eliminate duplicates Z: 6 3.652 1.470 0.607 0.288 0.800 0.400 O 1.097 6 residues pruned to eliminate duplicates Z: 53 32.104 2.042 0.476 0.599 0.942 0.712 CA 1.427 53 residues pruned to eliminate duplicates Z: 41 36.112 2.070 0.529 0.674 1.000 0.750 CA 1.537 41 residues pruned to eliminate duplicates Z: 7 5.596 1.672 0.532 0.303 0.833 0.333 CA 1.332 7 residues pruned to eliminate duplicates Z: 40 33.023 2.091 0.472 0.673 1.000 0.744 CA 1.465 40 residues pruned to eliminate duplicates Z: 40 36.073 2.097 0.515 0.695 1.000 0.821 CA 1.522 40 residues pruned to eliminate duplicates Z: 24 25.605 2.048 0.627 0.554 1.000 0.739 CA 1.520 24 residues pruned to eliminate duplicates Z: 18 18.808 2.037 0.412 0.692 0.941 0.647 CA 1.414 18 residues pruned to eliminate duplicates Z: 47 29.713 2.050 0.504 0.555 1.000 0.674 CA 1.346 47 residues pruned to eliminate duplicates Z: 47 32.215 2.069 0.514 0.558 0.978 0.696 CA 1.466 47 residues pruned to eliminate duplicates Z: 40 34.396 2.033 0.588 0.661 1.000 0.692 CA 1.469 41 residues pruned to eliminate duplicates Z: 15 26.958 2.051 0.642 0.862 1.000 0.643 CB 1.571 15 residues pruned to eliminate duplicates Z: 40 34.639 2.085 0.600 0.641 0.974 0.718 CA 1.495 40 residues pruned to eliminate duplicates Z: 54 36.566 2.033 0.620 0.585 0.943 0.736 CA 1.490 54 residues pruned to eliminate duplicates Z: 47 36.046 2.063 0.577 0.580 1.000 0.739 CA 1.513 47 residues pruned to eliminate duplicates Z: 42 28.704 2.020 0.548 0.514 0.927 0.659 CA 1.525 42 residues pruned to eliminate duplicates Z: 41 36.485 2.085 0.552 0.675 1.000 0.800 CA 1.518 41 residues pruned to eliminate duplicates Z: 46 31.591 2.021 0.544 0.546 1.000 0.667 CA 1.443 46 residues pruned to eliminate duplicates Z: 40 33.094 2.079 0.485 0.637 0.974 0.641 CA 1.550 40 residues pruned to eliminate duplicates Z: 49 29.258 1.954 0.556 0.575 0.917 0.562 CA 1.410 48 residues pruned to eliminate duplicates Z: 17 22.533 1.874 0.829 0.806 0.938 0.500 CA 1.342 17 residues pruned to eliminate duplicates Z: 41 35.279 2.080 0.569 0.642 1.000 0.650 CA 1.497 41 residues pruned to eliminate duplicates Z: 52 37.257 2.028 0.672 0.616 0.961 0.647 CA 1.435 52 residues pruned to eliminate duplicates Z: 47 35.129 2.077 0.615 0.556 0.957 0.609 CA 1.529 47 residues pruned to eliminate duplicates Z: 40 35.172 2.085 0.678 0.628 0.949 0.667 CA 1.505 40 residues pruned to eliminate duplicates Z: 42 32.166 2.059 0.508 0.633 1.000 0.707 CA 1.429 42 residues pruned to eliminate duplicates Z: 42 35.430 2.050 0.687 0.644 0.951 0.634 CA 1.470 42 residues pruned to eliminate duplicates Z: 42 31.942 2.001 0.569 0.606 1.000 0.659 CA 1.437 42 residues pruned to eliminate duplicates Z: 42 36.909 2.022 0.769 0.644 0.951 0.659 CA 1.481 42 residues pruned to eliminate duplicates Z: 41 39.626 2.073 0.711 0.659 1.000 0.700 CA 1.523 41 residues pruned to eliminate duplicates Z: 12 23.167 1.932 0.991 0.908 1.000 0.909 CA 1.290 12 residues pruned to eliminate duplicates Z: 51 36.660 2.019 0.670 0.606 0.940 0.680 CB 1.480 62 residues pruned to eliminate duplicates Z: 57 34.233 1.993 0.640 0.572 0.929 0.571 CA 1.407 57 residues pruned to eliminate duplicates Z: 40 36.341 2.081 0.692 0.621 0.974 0.615 CA 1.513 40 residues pruned to eliminate duplicates Z: 52 36.010 2.056 0.602 0.586 0.941 0.588 CA 1.498 52 residues pruned to eliminate duplicates Z: 30 20.354 1.970 0.700 0.481 0.862 0.517 CA 1.334 55 residues pruned to eliminate duplicates Z: 10 11.566 1.921 0.842 0.470 1.000 0.444 CA 1.123 10 residues pruned to eliminate duplicates Z: 14 11.200 1.920 0.458 0.418 1.000 0.538 CA 1.208 14 residues pruned to eliminate duplicates Z: 13 8.182 1.788 0.564 0.436 0.833 0.500 CA 1.083 13 residues pruned to eliminate duplicates Z: 52 34.802 2.017 0.705 0.570 0.922 0.588 CA 1.438 52 residues pruned to eliminate duplicates Z: 12 9.607 1.884 0.519 0.513 0.818 0.545 CB 1.221 12 residues pruned to eliminate duplicates Z: 14 11.478 1.877 0.629 0.472 0.846 0.385 CB 1.265 14 residues pruned to eliminate duplicates Z: 14 12.389 1.823 0.784 0.467 0.923 0.692 CB 1.184 13 residues pruned to eliminate duplicates Z: 6 2.536 1.620 0.288 0.346 0.800 0.600 CB 0.803 6 residues pruned to eliminate duplicates Z: 13 14.582 2.033 0.568 0.555 0.917 0.667 CA 1.365 12 residues pruned to eliminate duplicates Z: 7 5.266 1.522 0.597 0.327 1.000 0.333 CA 1.070 7 residues pruned to eliminate duplicates Z: 18 12.961 1.827 0.480 0.500 0.882 0.588 CB 1.317 18 residues pruned to eliminate duplicates Z: 12 14.861 2.038 0.592 0.551 0.909 0.727 CB 1.446 12 residues pruned to eliminate duplicates Z: 25 19.517 1.952 0.529 0.596 0.917 0.708 CA 1.328 34 residues pruned to eliminate duplicates Z: 31 32.878 2.019 0.506 0.919 1.000 0.933 CA 1.391 31 residues pruned to eliminate duplicates Z: 33 32.675 1.970 0.727 0.813 0.969 0.781 CA 1.335 33 residues pruned to eliminate duplicates Z: 23 22.766 1.915 0.611 0.775 0.955 0.773 CB 1.293 23 residues pruned to eliminate duplicates Z: 43 26.773 1.898 0.591 0.645 0.905 0.738 CA 1.321 43 residues pruned to eliminate duplicates Z: 15 15.868 1.945 0.673 0.658 0.929 0.857 CB 1.211 15 residues pruned to eliminate duplicates Z: 29 27.563 2.009 0.532 0.721 0.929 0.714 CB 1.493 29 residues pruned to eliminate duplicates Z: 49 40.175 2.038 0.554 0.883 1.000 0.896 CA 1.324 49 residues pruned to eliminate duplicates Z: 27 27.822 1.946 0.723 0.752 0.962 0.731 CA 1.352 27 residues pruned to eliminate duplicates Z: 21 31.946 2.005 0.819 0.860 0.950 0.900 CA 1.516 21 residues pruned to eliminate duplicates Z: 17 23.836 2.056 0.822 0.807 0.938 0.875 CB 1.299 17 residues pruned to eliminate duplicates Z: 27 29.899 1.917 0.813 0.811 0.923 0.654 CB 1.395 27 residues pruned to eliminate duplicates Z: 31 30.791 1.964 0.899 0.733 0.900 0.667 CB 1.358 31 residues pruned to eliminate duplicates Z: 24 31.441 2.051 0.915 0.839 0.957 0.739 CA 1.303 24 residues pruned to eliminate duplicates Z: 23 36.368 2.081 0.829 0.861 1.000 0.682 CA 1.497 23 residues pruned to eliminate duplicates Z: 57 44.787 2.016 0.738 0.800 0.964 0.732 CA 1.363 57 residues pruned to eliminate duplicates Z: 22 39.022 2.057 1.138 0.878 0.952 0.619 CA 1.475 22 residues pruned to eliminate duplicates Z: 37 34.452 1.905 0.884 0.797 0.917 0.556 CB 1.346 37 residues pruned to eliminate duplicates Z: 49 51.385 2.032 0.947 0.901 0.979 0.750 CA 1.367 49 residues pruned to eliminate duplicates Z: 36 47.021 2.008 1.051 0.900 0.971 0.714 CA 1.419 36 residues pruned to eliminate duplicates Z: 36 46.300 1.999 1.083 0.845 0.971 0.657 CA 1.439 36 residues pruned to eliminate duplicates Z: 30 38.366 2.012 1.208 0.812 0.897 0.586 CB 1.364 30 residues pruned to eliminate duplicates Z: 38 38.449 1.936 0.892 0.798 1.000 0.568 CA 1.330 48 residues pruned to eliminate duplicates Z: 47 52.077 2.043 1.052 0.890 0.935 0.783 CA 1.410 47 residues pruned to eliminate duplicates Z: 47 52.323 2.045 0.943 0.900 0.978 0.739 CA 1.418 47 residues pruned to eliminate duplicates Z: 34 45.004 1.955 1.224 0.856 0.970 0.485 CB 1.370 34 residues pruned to eliminate duplicates Z: 37 44.183 1.969 1.002 0.846 0.972 0.472 CA 1.427 37 residues pruned to eliminate duplicates Z: 35 43.898 2.050 0.978 0.856 0.941 0.676 CA 1.455 35 residues pruned to eliminate duplicates Z: 30 30.936 1.950 0.891 0.723 0.966 0.655 CB 1.319 30 residues pruned to eliminate duplicates Z: 28 30.311 2.014 0.854 0.733 0.963 0.778 CA 1.316 28 residues pruned to eliminate duplicates Z: 30 35.465 1.981 1.150 0.731 0.966 0.690 CA 1.301 30 residues pruned to eliminate duplicates Z: 28 30.014 2.001 0.899 0.726 0.926 0.778 CB 1.340 28 residues pruned to eliminate duplicates Z: 17 29.797 2.037 1.310 0.886 0.875 0.625 CA 1.306 17 residues pruned to eliminate duplicates Z: 23 22.376 1.890 1.089 0.586 0.864 0.636 CB 1.289 23 residues pruned to eliminate duplicates Z: 29 36.438 2.004 1.038 0.764 0.964 0.643 CA 1.383 29 residues pruned to eliminate duplicates Z: 26 40.255 2.087 1.163 0.776 1.000 0.640 CB 1.398 26 residues pruned to eliminate duplicates Z: 18 34.291 2.021 1.224 0.858 1.000 0.882 CB 1.363 18 residues pruned to eliminate duplicates Z: 29 40.619 1.991 1.155 0.789 1.000 0.893 CA 1.388 29 residues pruned to eliminate duplicates Z: 30 35.225 1.971 1.131 0.752 0.966 0.759 CB 1.288 30 residues pruned to eliminate duplicates Z: 27 42.192 2.060 1.332 0.780 1.000 0.846 CA 1.346 27 residues pruned to eliminate duplicates Z: 18 29.605 2.033 1.169 0.771 0.941 0.647 CB 1.362 18 residues pruned to eliminate duplicates Z: 18 29.515 1.968 1.118 0.815 1.000 0.706 CA 1.306 18 residues pruned to eliminate duplicates Z: 18 28.558 2.016 1.199 0.773 0.941 0.588 CB 1.304 18 residues pruned to eliminate duplicates Z: 34 34.000 1.929 1.110 0.728 0.939 0.576 CB 1.261 34 residues pruned to eliminate duplicates Z: 34 32.452 1.937 1.050 0.713 0.909 0.697 CA 1.291 34 residues pruned to eliminate duplicates Z: 50 33.780 1.881 0.849 0.669 0.918 0.653 CA 1.292 50 residues pruned to eliminate duplicates Z: 44 31.417 1.911 0.785 0.718 0.953 0.698 CA 1.210 44 residues pruned to eliminate duplicates Z: 7 3.453 1.561 0.678 0.399 0.667 0.500 CA 0.899 7 residues pruned to eliminate duplicates Z: 47 32.987 1.872 0.899 0.704 0.935 0.696 CA 1.216 47 residues pruned to eliminate duplicates Z: 33 29.286 1.901 0.848 0.690 0.969 0.562 CB 1.278 33 residues pruned to eliminate duplicates Z: 44 35.268 1.937 0.893 0.725 0.953 0.651 CA 1.257 44 residues pruned to eliminate duplicates Z: 25 13.642 1.742 0.589 0.496 0.875 0.583 CB 1.155 25 residues pruned to eliminate duplicates Z: 18 15.637 1.781 0.680 0.619 1.000 0.647 CA 1.133 18 residues pruned to eliminate duplicates Z: 17 10.116 1.712 0.529 0.590 0.938 0.562 CA 0.946 17 residues pruned to eliminate duplicates Z: 34 27.935 1.831 0.949 0.729 0.909 0.515 CA 1.220 34 residues pruned to eliminate duplicates Z: 6 11.250 1.985 0.841 0.624 1.000 1.000 CB 1.225 6 residues pruned to eliminate duplicates Z: 8 8.154 1.884 0.412 0.571 1.000 0.571 CB 1.082 8 residues pruned to eliminate duplicates Z: 13 12.901 1.919 0.613 0.372 0.917 0.667 CA 1.505 15 residues pruned to eliminate duplicates Z: 6 3.652 1.357 0.408 0.435 1.000 0.800 O 0.914 6 residues pruned to eliminate duplicates Z: 14 15.567 1.832 0.795 0.483 1.000 0.615 CB 1.336 13 residues pruned to eliminate duplicates Z: 6 3.767 1.438 1.029 0.301 1.000 0.000 CA 0.721 6 residues pruned to eliminate duplicates Z: 16 11.548 1.778 0.507 0.485 0.933 0.600 CB 1.211 16 residues pruned to eliminate duplicates Z: 12 16.947 1.961 0.702 0.502 1.000 0.545 CA 1.528 12 residues pruned to eliminate duplicates Z: 13 13.743 1.891 0.667 0.413 0.917 0.583 CB 1.505 13 residues pruned to eliminate duplicates Z: 13 12.263 1.922 0.645 0.357 0.917 0.667 CB 1.425 13 residues pruned to eliminate duplicates Z: 13 11.063 1.823 0.843 0.392 0.917 0.583 CB 1.163 13 residues pruned to eliminate duplicates Z: 12 13.892 1.900 0.617 0.479 1.000 0.636 CB 1.393 12 residues pruned to eliminate duplicates Z: 9 7.314 1.792 0.471 0.433 1.000 0.500 CB 1.051 9 residues pruned to eliminate duplicates Z: 14 15.788 1.837 0.746 0.477 1.000 0.769 CA 1.398 14 residues pruned to eliminate duplicates Z: 16 10.485 1.706 0.928 0.434 0.867 0.600 CB 1.017 Z: 6 2.765 1.559 0.612 0.403 0.800 0.600 CA 0.681 6 residues pruned to eliminate duplicates Z: 12 12.153 1.740 0.611 0.612 1.000 0.727 CB 1.176 16 residues pruned to eliminate duplicates Z: 6 3.813 1.784 0.357 0.361 0.800 0.600 CB 1.023 6 residues pruned to eliminate duplicates Z: 7 10.676 1.794 0.592 0.564 1.000 0.667 N 1.434 7 residues pruned to eliminate duplicates Z: 7 8.903 1.853 0.605 0.628 0.833 0.667 CB 1.300 7 residues pruned to eliminate duplicates Z: 19 11.574 1.667 0.520 0.535 0.833 0.333 CA 1.248 19 residues pruned to eliminate duplicates Z: 21 7.446 1.575 0.471 0.408 0.800 0.450 CB 0.990 14 residues pruned to eliminate duplicates Z: 9 6.424 1.415 0.453 0.880 1.000 0.500 CB 0.800 9 residues pruned to eliminate duplicates Z: 14 6.467 1.478 0.621 0.561 0.846 0.538 CA 0.834 14 residues pruned to eliminate duplicates Z: 14 6.461 1.496 0.524 0.661 0.769 0.385 CA 0.880 14 residues pruned to eliminate duplicates Z: 15 9.134 1.501 0.491 0.695 0.929 0.500 CA 0.983 15 residues pruned to eliminate duplicates Z: 11 6.956 1.490 0.530 0.670 0.900 0.600 CA 0.917 11 residues pruned to eliminate duplicates Z: 10 10.378 1.843 0.587 0.495 1.000 0.778 CA 1.188 10 residues pruned to eliminate duplicates Z: 13 7.904 1.654 0.547 0.474 0.833 0.583 CA 1.099 13 residues pruned to eliminate duplicates Z: 10 9.948 1.791 0.538 0.686 1.000 0.667 CB 1.015 13 residues pruned to eliminate duplicates Z: 6 3.861 1.550 0.404 0.463 0.800 0.800 CA 1.030 5 residues pruned to eliminate duplicates Z: 6 3.466 1.532 0.356 0.327 0.800 0.400 CA 1.128 6 residues pruned to eliminate duplicates Z: 11 7.869 1.706 0.350 0.614 0.900 0.500 CA 1.077 11 residues pruned to eliminate duplicates Z: 13 10.440 1.752 0.548 0.496 0.833 0.583 CB 1.339 11 residues pruned to eliminate duplicates Z: 6 2.612 1.408 0.614 0.362 0.800 0.600 CA 0.745 6 residues pruned to eliminate duplicates Z: 12 15.023 1.688 0.757 0.679 1.000 0.818 CA 1.296 12 residues pruned to eliminate duplicates Z: 11 10.805 1.742 0.799 0.682 0.800 0.800 CA 1.153 11 residues pruned to eliminate duplicates Z: 9 11.670 1.770 0.844 0.762 1.000 0.875 CA 1.002 9 residues pruned to eliminate duplicates Z: 35 14.396 1.757 0.475 0.364 0.824 0.588 CB 1.339 33 residues pruned to eliminate duplicates Z: 6 4.619 1.396 0.718 0.324 1.000 0.600 CA 1.045 6 residues pruned to eliminate duplicates Z: 14 12.524 1.984 0.292 0.437 1.000 0.692 CA 1.446 14 residues pruned to eliminate duplicates Z: 19 10.844 1.883 0.380 0.320 0.833 0.611 CB 1.439 19 residues pruned to eliminate duplicates Z: 14 15.499 1.880 0.446 0.561 1.000 0.846 CA 1.490 14 residues pruned to eliminate duplicates Z: 15 17.818 1.995 0.567 0.557 1.000 0.714 CA 1.441 15 residues pruned to eliminate duplicates Z: 15 10.294 1.883 0.336 0.468 0.857 0.500 CB 1.318 15 residues pruned to eliminate duplicates Z: 21 23.013 1.986 0.514 0.687 0.950 0.700 CA 1.518 21 residues pruned to eliminate duplicates Z: 29 22.621 1.831 0.671 0.636 0.893 0.607 CA 1.378 35 residues pruned to eliminate duplicates Z: 12 16.496 1.864 0.636 0.850 1.000 0.636 CA 1.208 12 residues pruned to eliminate duplicates Z: 22 22.347 1.929 0.560 0.681 0.952 0.667 CA 1.440 22 residues pruned to eliminate duplicates Z: 22 23.618 1.939 0.639 0.656 0.952 0.619 CB 1.473 22 residues pruned to eliminate duplicates Z: 24 22.921 1.816 0.658 0.705 0.957 0.696 CB 1.377 24 residues pruned to eliminate duplicates Z: 19 10.993 1.821 0.487 0.357 0.889 0.444 N 1.256 19 residues pruned to eliminate duplicates Z: 19 28.868 1.988 0.895 0.694 1.000 0.556 CB 1.512 19 residues pruned to eliminate duplicates Z: 10 7.215 1.743 0.402 0.429 0.889 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 13 9.702 1.717 0.421 0.721 1.000 0.750 CB 0.940 13 residues pruned to eliminate duplicates Z: 9 6.397 1.757 0.546 0.492 0.875 0.625 CB 0.959 9 residues pruned to eliminate duplicates Z: 9 6.674 1.700 0.480 0.469 0.875 0.625 CB 1.106 9 residues pruned to eliminate duplicates Z: 12 8.858 1.685 0.400 0.744 0.909 0.727 CA 1.001 12 residues pruned to eliminate duplicates Z: 33 25.102 1.800 0.607 0.613 0.969 0.562 CB 1.423 33 residues pruned to eliminate duplicates Z: 8 7.368 1.760 0.787 0.484 0.857 0.286 CB 1.049 8 residues pruned to eliminate duplicates Z: 11 8.913 1.686 0.650 0.602 0.900 0.400 CB 1.021 11 residues pruned to eliminate duplicates Z: 13 9.951 1.671 0.689 0.732 0.917 0.583 CB 0.901 13 residues pruned to eliminate duplicates Z: 10 13.549 1.694 0.851 0.649 1.000 0.556 CB 1.254 10 residues pruned to eliminate duplicates Z: 9 8.834 1.764 0.711 0.584 0.750 0.625 N 1.273 9 residues pruned to eliminate duplicates Z: 9 7.458 1.762 0.640 0.578 0.750 0.625 N 1.128 9 residues pruned to eliminate duplicates Z: 11 10.109 1.652 0.825 0.461 0.800 0.600 CA 1.380 11 residues pruned to eliminate duplicates Z: 10 8.949 1.680 0.826 0.468 1.000 0.556 CB 1.005 10 residues pruned to eliminate duplicates Z: 32 15.188 1.691 0.554 0.474 0.839 0.484 CB 1.271 32 residues pruned to eliminate duplicates Z: 38 25.308 1.995 0.602 0.526 0.919 0.595 CB 1.381 38 residues pruned to eliminate duplicates Z: 14 8.102 1.693 0.431 0.427 0.769 0.308 N 1.301 14 residues pruned to eliminate duplicates Z: 43 32.374 2.011 0.726 0.622 0.929 0.714 CB 1.381 43 residues pruned to eliminate duplicates Z: 22 19.350 2.056 0.636 0.517 0.952 0.619 CB 1.295 22 residues pruned to eliminate duplicates Z: 28 20.858 1.958 0.686 0.536 0.926 0.667 CA 1.267 28 residues pruned to eliminate duplicates Z: 34 26.947 2.007 0.613 0.559 0.939 0.485 CB 1.456 34 residues pruned to eliminate duplicates Z: 42 30.853 2.057 0.567 0.597 0.951 0.585 CB 1.432 42 residues pruned to eliminate duplicates Z: 31 30.518 2.067 0.719 0.594 0.967 0.600 CA 1.483 31 residues pruned to eliminate duplicates Z: 43 24.315 2.004 0.565 0.528 0.929 0.571 CB 1.253 43 residues pruned to eliminate duplicates Z: 33 26.324 2.014 0.614 0.564 0.906 0.469 CB 1.485 33 residues pruned to eliminate duplicates Z: 43 31.750 2.016 0.729 0.595 0.976 0.619 CB 1.315 43 residues pruned to eliminate duplicates Z: 28 27.951 2.128 0.569 0.619 0.926 0.630 CA 1.556 28 residues pruned to eliminate duplicates Z: 40 30.991 2.033 0.695 0.584 0.949 0.564 CB 1.401 40 residues pruned to eliminate duplicates Z: 41 29.210 2.024 0.686 0.531 0.900 0.525 CB 1.459 41 residues pruned to eliminate duplicates Z: 53 31.546 1.959 0.749 0.540 0.904 0.596 CB 1.358 36 residues pruned to eliminate duplicates Z: 18 22.156 2.073 0.762 0.740 0.882 0.471 CB 1.345 18 residues pruned to eliminate duplicates Z: 23 20.890 1.933 0.727 0.522 0.909 0.636 CB 1.437 23 residues pruned to eliminate duplicates Z: 30 28.372 2.077 0.653 0.593 0.966 0.586 CB 1.454 30 residues pruned to eliminate duplicates Z: 28 30.113 2.118 0.758 0.608 0.963 0.556 CB 1.458 28 residues pruned to eliminate duplicates Z: 30 34.269 2.090 0.849 0.618 1.000 0.552 CB 1.472 30 residues pruned to eliminate duplicates Z: 34 26.604 2.002 0.748 0.511 0.879 0.455 CB 1.490 34 residues pruned to eliminate duplicates Z: 32 27.163 2.048 0.669 0.563 0.968 0.613 CB 1.387 32 residues pruned to eliminate duplicates Z: 36 27.444 1.997 0.759 0.564 0.914 0.486 CB 1.358 36 residues pruned to eliminate duplicates Z: 29 30.340 2.099 0.782 0.579 0.929 0.536 CB 1.530 29 residues pruned to eliminate duplicates Z: 49 30.456 2.017 0.611 0.535 0.938 0.542 CB 1.393 49 residues pruned to eliminate duplicates Z: 40 31.434 2.051 0.703 0.575 0.923 0.538 CB 1.452 40 residues pruned to eliminate duplicates Z: 52 26.839 1.995 0.666 0.514 0.882 0.529 CB 1.263 52 residues pruned to eliminate duplicates Z: 43 21.666 1.988 0.532 0.463 0.857 0.429 CB 1.330 43 residues pruned to eliminate duplicates Z: 40 23.583 1.966 0.599 0.515 0.897 0.436 CB 1.320 40 residues pruned to eliminate duplicates Z: 32 20.943 2.004 0.636 0.444 0.935 0.452 CB 1.300 32 residues pruned to eliminate duplicates Z: 54 29.093 1.965 0.594 0.496 0.925 0.528 CB 1.386 54 residues pruned to eliminate duplicates Z: 45 33.299 2.051 0.652 0.562 0.955 0.614 CB 1.460 45 residues pruned to eliminate duplicates Z: 47 35.743 2.033 0.762 0.588 0.957 0.543 CB 1.414 47 residues pruned to eliminate duplicates Z: 57 35.840 1.982 0.720 0.563 0.964 0.554 CB 1.370 57 residues pruned to eliminate duplicates Z: 47 29.801 2.019 0.675 0.553 0.935 0.565 CB 1.320 47 residues pruned to eliminate duplicates Z: 55 37.102 2.013 0.698 0.547 0.963 0.556 CB 1.465 55 residues pruned to eliminate duplicates Z: 45 33.498 2.053 0.636 0.570 0.977 0.568 CB 1.438 45 residues pruned to eliminate duplicates Z: 57 37.660 1.993 0.734 0.594 0.929 0.661 CB 1.435 57 residues pruned to eliminate duplicates Z: 47 31.693 2.016 0.647 0.529 0.935 0.522 CB 1.463 47 residues pruned to eliminate duplicates Z: 12 13.108 1.779 0.806 0.501 0.909 0.364 CB 1.351 12 residues pruned to eliminate duplicates Z: 25 13.649 1.797 0.510 0.421 0.875 0.458 CB 1.273 25 residues pruned to eliminate duplicates Z: 44 26.826 1.987 0.624 0.468 0.907 0.465 CB 1.444 44 residues pruned to eliminate duplicates Z: 10 19.128 1.982 0.970 0.550 1.000 0.667 CB 1.556 11 residues pruned to eliminate duplicates 530 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 15 D: 7 E: 14 F: 34 G: 9 H: 47 I: 10 J: 7 K: 41 L: 50 M: 15 N: 54 O: 73 P: 10 Q: 18 R: 9 S: 50 T: 54 CC for partial structure against native data = 37.30 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.421, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.479, Connect. = 0.723 for dens.mod. cycle 2 = 0.300, Contrast = 0.570, Connect. = 0.752 for dens.mod. cycle 3 = 0.300, Contrast = 0.574, Connect. = 0.754 for dens.mod. cycle 4 = 0.300, Contrast = 0.582, Connect. = 0.756 for dens.mod. cycle 5 = 0.300, Contrast = 0.586, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.590, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.592, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.594, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.595, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2673 peaks > 0.5 sigma used to seed fragment search Space for about 763 unique residues taking solvent into account 617 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 22.128 2.002 0.838 0.921 1.000 0.700 CB 1.338 B: 39 33.198 2.055 0.518 0.694 0.974 0.737 CA 1.485 C: 11 16.992 1.942 0.689 0.837 0.900 0.400 CB 1.361 11 residues pruned to eliminate duplicates D: 28 33.663 2.083 0.622 0.918 1.000 0.926 CA 1.352 E: 17 19.241 1.954 0.492 0.829 0.875 0.812 CA 1.419 17 residues pruned to eliminate duplicates F: 39 32.625 1.960 0.799 0.842 0.921 0.868 CA 1.214 16 residues pruned to eliminate duplicates G: 12 14.790 1.749 0.348 0.857 1.000 0.818 CA 1.394 H: 36 36.547 1.951 0.759 0.894 0.971 0.714 CA 1.329 34 residues pruned to eliminate duplicates I: 34 38.518 2.006 0.777 0.917 0.970 0.818 CA 1.370 38 residues pruned to eliminate duplicates J: 39 36.926 1.928 0.713 0.849 0.974 0.632 CA 1.380 39 residues pruned to eliminate duplicates K: 35 39.078 2.019 0.845 0.898 0.941 0.824 CA 1.367 35 residues pruned to eliminate duplicates L: 24 15.408 1.823 0.514 0.581 0.870 0.565 CA 1.238 24 residues pruned to eliminate duplicates M: 8 12.927 2.003 0.552 0.818 1.000 0.714 CA 1.192 N: 12 8.590 1.666 0.846 0.432 0.818 0.727 CB 1.104 O: 10 9.829 1.792 0.567 0.837 0.889 0.889 CA 0.981 P: 6 8.713 1.964 0.568 0.415 1.000 0.600 CB 1.383 6 residues pruned to eliminate duplicates Q: 16 32.372 2.007 1.180 0.925 0.933 0.867 CB 1.436 16 residues pruned to eliminate duplicates R: 11 28.433 2.066 0.794 0.929 1.000 0.900 CA 1.697 11 residues pruned to eliminate duplicates S: 12 18.175 1.932 0.516 0.900 1.000 0.909 CA 1.336 10 residues pruned to eliminate duplicates T: 13 19.490 1.933 0.977 0.621 1.000 0.667 CB 1.313 U: 13 14.678 1.863 0.424 0.913 1.000 0.917 CA 1.131 13 residues pruned to eliminate duplicates V: 17 19.670 1.697 0.608 0.887 1.000 0.562 N 1.299 11 residues pruned to eliminate duplicates W: 9 14.259 1.859 0.442 0.917 1.000 1.000 CB 1.327 X: 15 15.627 1.936 0.755 0.590 1.000 0.714 CB 1.128 Y: 14 9.320 1.955 0.570 0.300 0.846 0.538 CB 1.244 Z: 17 29.936 1.996 1.062 0.900 1.000 0.688 CB 1.298 17 residues pruned to eliminate duplicates Z: 12 18.963 1.953 0.405 0.912 1.000 0.818 CA 1.475 12 residues pruned to eliminate duplicates Z: 14 14.352 1.816 0.300 0.888 0.923 0.769 CB 1.315 7 residues pruned to eliminate duplicates Z: 11 7.481 1.989 0.314 0.794 0.800 0.700 CB 0.874 Z: 16 20.039 2.032 0.455 0.763 0.933 0.533 CA 1.484 16 residues pruned to eliminate duplicates Z: 9 10.667 1.787 0.594 0.710 1.000 0.875 CA 1.093 Z: 10 13.588 1.870 0.736 0.904 0.889 0.889 CB 1.118 Z: 17 19.861 1.998 0.876 0.827 0.875 0.562 CB 1.140 11 residues pruned to eliminate duplicates Z: 33 37.569 2.005 0.760 0.899 0.906 0.594 CB 1.484 35 residues pruned to eliminate duplicates Z: 49 43.410 1.932 0.752 0.914 0.979 0.667 CA 1.337 49 residues pruned to eliminate duplicates Z: 12 11.332 1.907 0.445 0.424 0.909 0.636 CA 1.476 Z: 12 10.817 2.001 0.221 0.828 0.909 0.727 CB 1.106 12 residues pruned to eliminate duplicates Z: 10 10.814 1.839 0.716 0.776 1.000 0.889 CB 0.896 Z: 18 27.342 2.008 0.769 0.920 1.000 0.882 CA 1.315 18 residues pruned to eliminate duplicates Z: 10 12.607 1.807 0.765 0.644 0.778 0.778 CA 1.480 Z: 28 23.558 2.047 0.637 0.527 0.963 0.519 CA 1.368 16 residues pruned to eliminate duplicates Z: 17 18.751 2.126 0.554 0.719 0.875 0.688 CB 1.330 16 residues pruned to eliminate duplicates Z: 7 12.674 1.918 0.604 0.830 1.000 0.667 CA 1.264 7 residues pruned to eliminate duplicates Z: 15 13.541 1.834 0.461 0.741 0.929 0.571 CA 1.172 Z: 16 10.400 1.777 0.427 0.508 0.800 0.533 CB 1.314 18 residues pruned to eliminate duplicates Z: 34 22.992 1.959 0.662 0.492 0.909 0.667 CB 1.363 33 residues pruned to eliminate duplicates Z: 12 7.705 1.737 -0.100 0.907 1.000 1.000 CA 1.057 12 residues pruned to eliminate duplicates Z: 17 21.395 1.947 0.384 0.808 1.000 0.812 N 1.518 17 residues pruned to eliminate duplicates Z: 10 9.562 1.698 0.707 0.557 0.889 0.667 CA 1.171 Z: 10 8.219 1.826 0.076 0.914 1.000 1.000 CB 0.986 9 residues pruned to eliminate duplicates Z: 31 25.014 1.967 0.357 0.896 0.933 0.900 CA 1.314 31 residues pruned to eliminate duplicates Z: 7 14.829 1.993 0.789 0.720 1.000 0.833 CB 1.392 Z: 44 47.425 2.062 0.758 0.936 1.000 0.767 CA 1.390 45 residues pruned to eliminate duplicates Z: 33 22.709 1.884 0.622 0.603 0.938 0.625 CB 1.270 10 residues pruned to eliminate duplicates Z: 23 35.131 2.042 0.847 0.897 1.000 0.727 CA 1.421 23 residues pruned to eliminate duplicates Z: 9 10.115 1.780 0.285 0.875 1.000 1.000 CA 1.137 9 residues pruned to eliminate duplicates Z: 24 18.416 1.771 0.550 0.867 0.957 0.652 CB 1.070 15 residues pruned to eliminate duplicates Z: 6 7.642 2.024 0.330 0.486 0.800 0.600 CA 1.610 6 residues pruned to eliminate duplicates Z: 11 14.711 1.895 0.293 0.914 0.900 0.900 CA 1.491 11 residues pruned to eliminate duplicates Z: 9 15.518 1.925 1.060 0.664 0.875 0.750 CA 1.359 9 residues pruned to eliminate duplicates Z: 18 17.727 1.916 0.434 0.764 0.941 0.706 CA 1.315 18 residues pruned to eliminate duplicates Z: 17 19.483 2.048 0.494 0.737 0.875 0.562 CA 1.470 17 residues pruned to eliminate duplicates Z: 12 18.373 1.939 0.750 0.808 0.909 0.727 CA 1.372 12 residues pruned to eliminate duplicates Z: 11 15.381 1.867 0.737 0.907 1.000 0.600 CB 1.066 9 residues pruned to eliminate duplicates Z: 17 21.747 1.944 0.598 0.847 1.000 0.562 CA 1.300 17 residues pruned to eliminate duplicates Z: 13 21.278 1.813 0.904 0.890 1.000 0.583 CB 1.280 Z: 26 30.199 2.012 0.589 0.925 1.000 0.880 CA 1.326 26 residues pruned to eliminate duplicates Z: 13 27.435 2.129 0.793 0.911 1.000 0.833 CA 1.470 13 residues pruned to eliminate duplicates Z: 9 14.921 1.852 0.857 0.599 1.000 0.625 CB 1.395 Z: 14 18.753 1.941 0.826 0.896 0.846 0.538 CB 1.243 14 residues pruned to eliminate duplicates Z: 12 7.448 1.819 0.414 0.357 0.909 0.545 CB 1.121 Z: 36 33.054 1.936 0.593 0.849 1.000 0.829 CA 1.344 36 residues pruned to eliminate duplicates Z: 12 10.040 1.647 0.709 0.397 1.000 0.636 CB 1.199 13 residues pruned to eliminate duplicates Z: 6 9.448 1.851 0.446 0.869 0.800 0.800 CB 1.442 6 residues pruned to eliminate duplicates Z: 13 8.603 1.625 0.531 0.507 0.917 0.583 CB 1.082 13 residues pruned to eliminate duplicates Z: 14 17.748 1.865 0.563 0.928 0.923 0.846 CA 1.281 14 residues pruned to eliminate duplicates Z: 26 19.248 1.723 0.564 0.741 0.880 0.400 CB 1.308 26 residues pruned to eliminate duplicates Z: 17 32.786 2.037 0.992 0.905 1.000 0.812 CA 1.438 17 residues pruned to eliminate duplicates Z: 10 11.376 2.107 0.129 0.876 0.889 0.889 CB 1.302 10 residues pruned to eliminate duplicates Z: 12 12.942 1.699 0.392 0.882 0.909 0.636 CB 1.313 12 residues pruned to eliminate duplicates Z: 32 21.942 1.996 0.549 0.485 0.903 0.581 CB 1.432 30 residues pruned to eliminate duplicates Z: 43 29.066 1.881 0.683 0.645 0.952 0.667 CA 1.299 36 residues pruned to eliminate duplicates Z: 10 6.165 1.775 0.302 0.392 0.889 0.444 CA 1.121 7 residues pruned to eliminate duplicates Z: 14 14.511 1.858 0.494 0.652 1.000 0.769 CA 1.259 14 residues pruned to eliminate duplicates Z: 27 16.318 1.829 0.520 0.531 0.885 0.538 CA 1.262 13 residues pruned to eliminate duplicates Z: 19 25.092 1.891 1.159 0.820 0.833 0.556 CB 1.317 19 residues pruned to eliminate duplicates Z: 11 21.430 2.064 0.636 0.923 1.000 0.900 CA 1.410 11 residues pruned to eliminate duplicates Z: 46 48.789 2.039 0.893 0.905 0.978 0.733 CA 1.371 45 residues pruned to eliminate duplicates Z: 15 21.380 1.900 1.026 0.553 1.000 0.929 CB 1.409 15 residues pruned to eliminate duplicates Z: 22 29.790 2.114 0.574 0.937 0.952 0.762 CA 1.427 22 residues pruned to eliminate duplicates Z: 12 12.185 1.782 0.512 0.815 0.909 0.909 CA 1.140 12 residues pruned to eliminate duplicates Z: 9 13.182 1.904 0.635 0.747 1.000 0.750 CA 1.201 Z: 17 10.340 1.728 0.706 0.300 0.812 0.438 CB 1.349 Z: 16 34.842 2.069 1.130 0.919 1.000 0.600 CA 1.439 16 residues pruned to eliminate duplicates Z: 6 4.719 1.779 0.322 0.619 1.000 0.400 CB 0.802 6 residues pruned to eliminate duplicates Z: 34 27.998 1.978 0.365 0.855 1.000 0.788 CA 1.332 34 residues pruned to eliminate duplicates Z: 12 12.427 1.770 0.719 0.856 1.000 0.818 CA 0.908 11 residues pruned to eliminate duplicates Z: 9 5.984 1.734 0.441 0.375 0.875 0.500 CB 1.107 14 residues pruned to eliminate duplicates Z: 9 14.890 1.919 0.611 0.866 1.000 0.875 CA 1.247 9 residues pruned to eliminate duplicates Z: 13 17.947 1.628 0.759 0.900 1.000 0.750 N 1.293 13 residues pruned to eliminate duplicates Z: 13 16.069 1.680 0.368 0.937 1.000 0.917 CA 1.405 13 residues pruned to eliminate duplicates Z: 17 23.068 1.950 0.641 0.811 1.000 0.688 CA 1.374 17 residues pruned to eliminate duplicates Z: 10 11.001 1.733 0.489 0.863 1.000 0.889 CA 1.043 8 residues pruned to eliminate duplicates Z: 6 4.570 1.482 0.894 0.291 0.800 0.400 CB 1.151 6 residues pruned to eliminate duplicates Z: 12 7.205 1.686 0.456 0.384 0.909 0.545 CB 1.101 12 residues pruned to eliminate duplicates Z: 12 16.914 1.806 0.596 0.918 1.000 0.818 CB 1.248 11 residues pruned to eliminate duplicates Z: 17 33.064 1.990 1.128 0.936 1.000 0.750 CA 1.360 17 residues pruned to eliminate duplicates Z: 15 17.765 1.866 0.686 0.755 1.000 0.643 CA 1.202 15 residues pruned to eliminate duplicates Z: 17 19.075 2.052 0.307 0.784 0.938 0.688 CA 1.477 17 residues pruned to eliminate duplicates Z: 17 28.031 2.046 0.867 0.898 1.000 0.875 CA 1.312 17 residues pruned to eliminate duplicates Z: 24 36.446 1.992 0.849 0.918 1.000 0.783 CA 1.455 23 residues pruned to eliminate duplicates Z: 9 8.988 1.641 0.527 0.622 1.000 0.750 N 1.130 Z: 15 27.124 2.071 0.655 0.832 1.000 0.429 CB 1.588 15 residues pruned to eliminate duplicates Z: 9 7.101 1.813 0.524 0.322 0.875 0.375 CB 1.263 9 residues pruned to eliminate duplicates Z: 10 11.908 1.820 0.544 0.762 1.000 0.889 CA 1.120 9 residues pruned to eliminate duplicates Z: 7 8.899 1.690 0.866 0.749 1.000 0.500 CA 0.922 Z: 16 32.046 2.089 1.021 0.918 1.000 0.800 CA 1.382 16 residues pruned to eliminate duplicates Z: 49 20.819 1.716 0.636 0.561 0.896 0.604 CB 1.126 48 residues pruned to eliminate duplicates Z: 8 10.545 1.629 0.647 0.694 1.000 1.000 N 1.245 Z: 14 14.818 1.927 0.329 0.854 0.923 0.692 CA 1.284 14 residues pruned to eliminate duplicates Z: 10 10.421 1.817 0.598 0.593 0.889 0.556 CA 1.231 Z: 14 13.122 1.832 0.651 0.398 0.923 0.462 CA 1.451 11 residues pruned to eliminate duplicates Z: 17 28.056 2.010 0.819 0.934 1.000 0.875 CA 1.338 17 residues pruned to eliminate duplicates Z: 8 15.338 1.917 0.862 0.719 1.000 0.857 CB 1.333 8 residues pruned to eliminate duplicates Z: 11 6.372 1.561 0.655 0.393 0.800 0.400 CB 1.092 Z: 28 26.381 1.932 0.711 0.862 0.889 0.593 CA 1.268 28 residues pruned to eliminate duplicates Z: 15 5.138 1.614 0.295 0.432 0.643 0.357 CB 1.096 15 residues pruned to eliminate duplicates Z: 10 12.247 1.852 0.663 0.776 1.000 0.889 CB 1.039 10 residues pruned to eliminate duplicates Z: 8 9.428 1.771 0.568 0.592 0.857 0.571 CB 1.371 Z: 8 8.965 1.804 0.791 0.550 0.857 0.857 CA 1.165 8 residues pruned to eliminate duplicates Z: 14 10.675 1.984 0.485 0.403 0.923 0.692 CB 1.206 16 residues pruned to eliminate duplicates Z: 14 12.918 1.945 0.352 0.526 0.923 0.692 CB 1.438 14 residues pruned to eliminate duplicates Z: 11 13.639 1.810 0.725 0.874 1.000 0.700 CB 1.005 11 residues pruned to eliminate duplicates Z: 35 32.252 1.975 0.671 0.833 0.941 0.588 CA 1.337 35 residues pruned to eliminate duplicates Z: 37 32.603 1.958 0.547 0.847 0.944 0.806 CA 1.410 37 residues pruned to eliminate duplicates Z: 10 10.245 1.900 -0.122 0.892 1.000 1.000 CB 1.470 10 residues pruned to eliminate duplicates Z: 38 31.527 2.069 0.714 0.612 0.892 0.649 CB 1.473 38 residues pruned to eliminate duplicates Z: 19 29.580 1.923 1.042 0.894 0.944 0.778 CA 1.348 19 residues pruned to eliminate duplicates Z: 8 4.908 1.540 0.372 0.545 1.000 0.714 CB 0.841 Z: 23 31.519 1.914 0.787 0.873 0.909 0.636 CB 1.575 23 residues pruned to eliminate duplicates Z: 9 13.854 1.794 0.629 0.775 1.000 0.750 CA 1.314 9 residues pruned to eliminate duplicates Z: 16 35.861 2.068 1.193 0.930 1.000 0.867 CA 1.428 16 residues pruned to eliminate duplicates Z: 38 31.263 2.048 0.620 0.633 0.946 0.649 CB 1.446 38 residues pruned to eliminate duplicates Z: 26 13.047 1.647 0.456 0.462 0.880 0.520 CB 1.285 21 residues pruned to eliminate duplicates Z: 14 9.591 1.830 0.822 0.320 0.692 0.538 CB 1.404 14 residues pruned to eliminate duplicates Z: 6 2.350 1.349 0.278 0.283 0.800 0.400 N 0.974 Z: 20 11.288 1.684 0.608 0.338 0.842 0.421 CB 1.355 21 residues pruned to eliminate duplicates Z: 11 10.228 1.865 0.676 0.499 0.800 0.600 CB 1.295 11 residues pruned to eliminate duplicates Z: 16 10.741 1.660 0.661 0.491 0.800 0.800 CB 1.269 16 residues pruned to eliminate duplicates Z: 25 22.961 2.008 0.515 0.912 1.000 0.958 CA 1.091 25 residues pruned to eliminate duplicates Z: 14 14.428 1.922 0.727 0.528 0.923 0.846 CB 1.270 14 residues pruned to eliminate duplicates Z: 15 18.240 1.837 0.448 0.888 1.000 0.786 CA 1.320 15 residues pruned to eliminate duplicates Z: 6 10.236 1.824 0.679 0.762 1.000 0.800 CA 1.185 6 residues pruned to eliminate duplicates Z: 17 20.107 1.898 0.712 0.632 1.000 0.875 CA 1.367 17 residues pruned to eliminate duplicates Z: 13 12.613 1.944 0.619 0.641 0.750 0.583 CA 1.352 13 residues pruned to eliminate duplicates Z: 21 15.875 1.737 0.763 0.510 0.850 0.650 CA 1.351 24 residues pruned to eliminate duplicates Z: 6 5.193 1.677 0.028 0.720 1.000 0.800 CB 1.104 Z: 15 16.142 1.772 0.831 0.673 1.000 0.429 CA 1.134 15 residues pruned to eliminate duplicates Z: 16 23.329 2.034 0.535 0.825 0.933 0.600 CB 1.561 16 residues pruned to eliminate duplicates Z: 18 24.405 2.009 0.599 0.924 1.000 0.941 CA 1.295 18 residues pruned to eliminate duplicates Z: 16 14.122 1.820 0.632 0.593 0.933 0.733 CB 1.204 16 residues pruned to eliminate duplicates Z: 6 4.283 1.695 0.144 0.817 0.800 0.600 CB 0.937 6 residues pruned to eliminate duplicates Z: 6 8.363 1.968 0.339 0.807 1.000 0.400 CB 1.085 6 residues pruned to eliminate duplicates Z: 11 13.269 1.847 1.078 0.687 0.900 0.800 CB 1.024 10 residues pruned to eliminate duplicates Z: 11 14.138 1.811 0.582 0.931 1.000 0.600 CB 1.090 11 residues pruned to eliminate duplicates Z: 12 15.433 1.697 0.473 0.897 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 14 11.855 1.990 0.632 0.486 0.846 0.769 CB 1.213 12 residues pruned to eliminate duplicates Z: 12 13.394 1.695 0.638 0.874 1.000 0.727 CA 1.059 12 residues pruned to eliminate duplicates Z: 14 14.100 1.782 0.586 0.788 0.923 0.692 CA 1.164 14 residues pruned to eliminate duplicates Z: 12 16.377 1.982 0.359 0.849 0.909 0.909 CA 1.495 12 residues pruned to eliminate duplicates Z: 6 4.159 1.610 0.223 0.314 1.000 0.600 CB 1.160 Z: 16 37.556 2.111 1.264 0.924 1.000 1.000 CB 1.425 16 residues pruned to eliminate duplicates Z: 13 17.611 1.840 0.709 0.621 1.000 0.750 CB 1.441 13 residues pruned to eliminate duplicates Z: 36 18.204 1.773 0.468 0.544 0.943 0.400 CB 1.202 36 residues pruned to eliminate duplicates Z: 30 32.007 2.112 0.551 0.701 1.000 0.793 CA 1.511 32 residues pruned to eliminate duplicates Z: 8 4.013 1.585 0.480 0.394 0.714 0.429 CB 1.013 Z: 50 27.635 2.039 0.391 0.562 0.898 0.612 CB 1.459 48 residues pruned to eliminate duplicates Z: 19 19.809 2.025 0.758 0.691 0.889 0.611 CB 1.239 19 residues pruned to eliminate duplicates Z: 30 35.060 1.977 0.769 0.890 0.966 0.621 CB 1.388 30 residues pruned to eliminate duplicates Z: 6 4.393 1.546 0.453 0.682 0.800 0.800 CA 0.925 Z: 13 16.980 1.827 0.653 0.926 1.000 1.000 CB 1.138 13 residues pruned to eliminate duplicates Z: 10 14.638 1.796 0.821 0.877 1.000 0.444 CB 1.083 10 residues pruned to eliminate duplicates Z: 40 24.922 2.057 0.240 0.661 0.949 0.795 CA 1.421 40 residues pruned to eliminate duplicates Z: 8 9.568 1.806 0.528 0.828 1.000 1.000 CA 0.987 8 residues pruned to eliminate duplicates Z: 7 6.123 1.715 0.293 0.614 0.833 0.833 CA 1.214 Z: 12 14.234 2.008 0.244 0.830 0.909 0.909 CA 1.421 12 residues pruned to eliminate duplicates Z: 16 12.311 1.817 0.470 0.547 0.933 0.533 CB 1.218 16 residues pruned to eliminate duplicates Z: 7 4.572 1.528 0.641 0.391 0.667 0.500 N 1.253 Z: 16 9.529 1.768 0.763 0.389 0.800 0.533 CB 1.110 16 residues pruned to eliminate duplicates Z: 9 13.394 1.880 0.704 0.814 1.000 0.500 CA 1.125 9 residues pruned to eliminate duplicates Z: 16 7.534 1.682 0.154 0.426 0.867 0.467 CB 1.248 Z: 48 36.901 1.937 0.575 0.922 1.000 0.872 CA 1.241 48 residues pruned to eliminate duplicates Z: 9 3.615 1.561 0.459 0.226 0.750 0.500 CB 1.031 Z: 14 11.482 1.757 0.541 0.753 1.000 0.615 CA 0.939 14 residues pruned to eliminate duplicates Z: 11 19.569 1.994 0.571 0.880 1.000 0.600 CA 1.431 11 residues pruned to eliminate duplicates Z: 8 3.738 1.746 0.389 0.284 0.571 0.429 CA 1.300 9 residues pruned to eliminate duplicates Z: 21 24.154 2.011 0.741 0.687 0.900 0.650 CA 1.444 21 residues pruned to eliminate duplicates Z: 27 32.601 2.041 0.559 0.914 0.962 0.846 CA 1.479 27 residues pruned to eliminate duplicates Z: 11 7.189 1.491 0.193 0.826 0.900 0.800 CB 1.071 Z: 13 17.346 1.722 0.926 0.866 1.000 0.583 CB 1.105 13 residues pruned to eliminate duplicates Z: 9 8.634 1.642 0.474 0.588 1.000 0.750 CA 1.159 9 residues pruned to eliminate duplicates Z: 16 12.528 1.850 0.650 0.341 0.933 0.667 CB 1.351 16 residues pruned to eliminate duplicates Z: 8 7.902 1.684 0.658 0.537 0.857 0.571 CA 1.204 Z: 6 3.365 1.965 -0.139 0.878 1.000 1.000 CA 0.646 6 residues pruned to eliminate duplicates Z: 14 15.709 1.912 0.218 0.851 1.000 0.692 CA 1.385 14 residues pruned to eliminate duplicates Z: 14 15.995 1.921 0.571 0.789 0.846 0.462 CA 1.348 14 residues pruned to eliminate duplicates Z: 8 7.553 1.872 0.700 0.372 1.000 0.714 CB 1.029 7 residues pruned to eliminate duplicates Z: 18 31.743 2.032 1.116 0.909 0.941 0.588 CB 1.350 18 residues pruned to eliminate duplicates Z: 13 10.404 1.796 0.364 0.490 0.917 0.750 CA 1.351 13 residues pruned to eliminate duplicates Z: 11 9.633 1.642 0.961 0.460 0.700 0.600 N 1.407 11 residues pruned to eliminate duplicates Z: 9 5.481 1.696 0.012 0.822 1.000 0.875 CA 0.854 9 residues pruned to eliminate duplicates Z: 16 14.688 1.940 0.320 0.505 1.000 0.733 CB 1.474 16 residues pruned to eliminate duplicates Z: 11 19.134 1.885 0.687 0.940 0.900 0.800 CB 1.469 11 residues pruned to eliminate duplicates Z: 7 9.706 1.842 0.672 0.597 1.000 0.667 CB 1.173 Z: 27 14.236 1.797 0.515 0.453 0.846 0.462 CB 1.271 27 residues pruned to eliminate duplicates Z: 11 14.038 1.806 0.632 0.801 1.000 0.800 CA 1.157 9 residues pruned to eliminate duplicates Z: 9 13.115 1.887 0.269 0.912 1.000 1.000 CA 1.372 9 residues pruned to eliminate duplicates Z: 12 7.493 1.511 0.462 0.611 0.909 0.636 N 1.012 Z: 41 25.871 1.949 0.603 0.522 0.925 0.600 CB 1.386 41 residues pruned to eliminate duplicates Z: 42 41.727 1.913 0.846 0.902 0.976 0.732 CA 1.349 42 residues pruned to eliminate duplicates Z: 7 6.617 1.713 0.692 0.345 0.833 0.500 N 1.324 Z: 9 3.477 1.501 -0.093 0.705 0.875 0.625 CB 0.857 Z: 16 8.491 1.769 0.329 0.432 0.933 0.600 CB 1.072 16 residues pruned to eliminate duplicates Z: 10 9.129 1.692 0.784 0.521 0.889 0.667 N 1.111 10 residues pruned to eliminate duplicates Z: 9 11.300 1.768 0.472 0.608 1.000 0.750 CB 1.385 9 residues pruned to eliminate duplicates Z: 9 12.718 1.849 0.628 0.770 0.875 0.875 CA 1.344 9 residues pruned to eliminate duplicates Z: 11 10.918 1.602 0.393 0.870 1.000 0.700 CA 1.129 Z: 9 7.913 1.813 0.742 0.435 1.000 0.750 CB 0.948 7 residues pruned to eliminate duplicates Z: 12 5.376 1.775 0.198 0.420 0.909 0.455 CA 0.912 12 residues pruned to eliminate duplicates Z: 16 20.378 1.776 0.658 0.845 1.000 0.600 CA 1.329 16 residues pruned to eliminate duplicates Z: 11 11.635 1.830 0.511 0.849 0.900 0.600 CB 1.096 11 residues pruned to eliminate duplicates Z: 11 11.075 1.562 0.719 0.767 0.900 0.400 CB 1.144 8 residues pruned to eliminate duplicates Z: 13 13.856 1.741 0.329 0.907 1.000 0.917 CB 1.228 13 residues pruned to eliminate duplicates Z: 22 11.501 1.822 0.203 0.557 0.952 0.524 CA 1.138 22 residues pruned to eliminate duplicates Z: 17 10.125 1.503 0.552 0.596 0.938 0.438 N 1.055 14 residues pruned to eliminate duplicates Z: 10 11.081 1.821 0.636 0.671 0.889 0.667 CB 1.191 10 residues pruned to eliminate duplicates Z: 9 7.431 1.698 0.177 0.860 1.000 0.750 CB 0.967 9 residues pruned to eliminate duplicates Z: 9 9.188 1.601 0.532 0.654 1.000 1.000 CA 1.148 Z: 17 22.648 1.948 0.801 0.812 1.000 0.750 CA 1.230 17 residues pruned to eliminate duplicates Z: 6 2.997 1.415 0.687 0.473 0.600 0.600 CB 0.962 Z: 9 11.894 1.953 0.710 0.356 1.000 0.625 CB 1.471 10 residues pruned to eliminate duplicates Z: 12 13.457 1.904 0.408 0.676 1.000 0.727 CB 1.287 12 residues pruned to eliminate duplicates Z: 11 16.055 1.867 0.564 0.819 1.000 0.800 CA 1.318 11 residues pruned to eliminate duplicates Z: 12 7.589 1.640 0.401 0.516 0.909 0.727 CA 1.078 12 residues pruned to eliminate duplicates Z: 7 12.176 1.854 0.452 0.752 1.000 0.500 CB 1.474 7 residues pruned to eliminate duplicates Z: 16 21.681 2.030 0.641 0.788 0.933 0.667 CB 1.398 16 residues pruned to eliminate duplicates Z: 19 10.149 1.782 0.604 0.449 0.833 0.611 CB 1.059 33 residues pruned to eliminate duplicates Z: 16 12.500 1.854 0.648 0.473 0.867 0.667 CA 1.253 16 residues pruned to eliminate duplicates Z: 16 12.346 1.780 0.576 0.435 0.933 0.533 CB 1.302 14 residues pruned to eliminate duplicates Z: 15 19.204 1.734 0.776 0.899 1.000 0.500 CB 1.191 15 residues pruned to eliminate duplicates Z: 33 37.841 2.008 0.882 0.885 0.906 0.594 CA 1.410 34 residues pruned to eliminate duplicates Z: 17 21.167 1.739 0.800 0.877 1.000 0.688 CB 1.228 17 residues pruned to eliminate duplicates Z: 17 22.081 2.077 0.677 0.805 1.000 0.562 CA 1.215 17 residues pruned to eliminate duplicates Z: 9 4.348 1.717 0.148 0.595 0.875 0.750 CB 0.814 Z: 17 12.431 1.730 0.285 0.760 0.875 0.688 CA 1.267 17 residues pruned to eliminate duplicates Z: 11 10.516 1.769 0.293 0.794 1.000 0.900 CB 1.124 12 residues pruned to eliminate duplicates Z: 11 9.653 1.710 0.778 0.620 0.900 0.600 CB 0.995 Z: 13 13.598 1.698 0.728 0.915 1.000 0.917 CB 0.945 13 residues pruned to eliminate duplicates Z: 14 12.900 1.749 0.675 0.759 1.000 0.692 CA 0.970 14 residues pruned to eliminate duplicates Z: 14 14.739 1.738 0.882 0.571 0.923 0.538 CA 1.264 7 residues pruned to eliminate duplicates Z: 16 16.718 2.062 0.546 0.710 0.867 0.600 CB 1.291 16 residues pruned to eliminate duplicates Z: 10 11.498 1.743 0.317 0.882 1.000 0.889 CB 1.208 10 residues pruned to eliminate duplicates Z: 6 4.259 1.492 -0.037 0.861 1.000 0.800 CB 0.974 Z: 7 9.841 1.744 0.972 0.568 0.833 0.667 CB 1.312 9 residues pruned to eliminate duplicates Z: 16 20.962 2.035 0.450 0.815 0.933 0.467 CB 1.494 16 residues pruned to eliminate duplicates Z: 19 19.397 1.963 0.741 0.714 0.944 0.778 CB 1.167 19 residues pruned to eliminate duplicates Z: 18 7.572 1.612 0.347 0.576 0.824 0.647 CA 0.955 18 residues pruned to eliminate duplicates Z: 10 5.791 1.555 0.794 0.365 0.667 0.556 CA 1.201 Z: 10 10.543 1.675 0.733 0.694 1.000 0.556 CA 1.014 Z: 14 20.760 1.842 0.967 0.900 1.000 0.923 CB 1.135 14 residues pruned to eliminate duplicates Z: 13 15.069 1.705 1.047 0.515 0.917 0.833 CB 1.339 13 residues pruned to eliminate duplicates Z: 10 4.610 1.770 -0.013 0.515 0.889 0.667 CB 0.975 10 residues pruned to eliminate duplicates Z: 6 6.989 1.773 0.599 0.475 1.000 0.400 CB 1.132 Z: 13 16.209 1.850 0.776 0.916 0.833 0.667 CA 1.206 13 residues pruned to eliminate duplicates Z: 23 12.642 1.762 0.712 0.494 0.864 0.682 CA 1.040 24 residues pruned to eliminate duplicates Z: 8 5.810 1.661 0.051 0.689 0.857 0.714 CB 1.235 6 residues pruned to eliminate duplicates Z: 8 6.313 1.659 0.463 0.557 1.000 0.714 CB 0.930 Z: 10 12.155 1.820 0.271 0.895 1.000 0.667 CB 1.255 10 residues pruned to eliminate duplicates Z: 12 19.972 1.742 0.854 0.883 1.000 0.364 CB 1.348 12 residues pruned to eliminate duplicates Z: 7 7.510 1.667 0.978 0.298 0.833 0.500 N 1.398 Z: 34 24.419 2.008 0.352 0.595 0.970 0.667 CA 1.474 34 residues pruned to eliminate duplicates Z: 8 12.203 1.853 0.589 0.827 1.000 0.857 CA 1.181 8 residues pruned to eliminate duplicates Z: 9 4.499 1.671 0.525 0.327 0.875 0.500 CB 0.863 Z: 10 6.366 1.585 0.522 0.514 0.667 0.444 CB 1.301 10 residues pruned to eliminate duplicates Z: 39 26.834 2.060 0.346 0.625 0.947 0.789 CA 1.473 39 residues pruned to eliminate duplicates Z: 11 10.823 1.663 0.606 0.829 0.900 0.700 CB 1.071 11 residues pruned to eliminate duplicates Z: 9 20.601 1.835 1.090 0.732 1.000 0.750 CB 1.541 9 residues pruned to eliminate duplicates Z: 11 5.756 1.512 0.725 0.464 0.900 0.500 CB 0.804 11 residues pruned to eliminate duplicates Z: 9 12.685 1.840 0.949 0.430 1.000 0.750 CA 1.345 9 residues pruned to eliminate duplicates Z: 21 27.884 1.992 0.798 0.822 1.000 0.650 CA 1.317 21 residues pruned to eliminate duplicates Z: 14 16.633 1.744 0.744 0.894 1.000 1.000 CB 1.088 14 residues pruned to eliminate duplicates Z: 12 7.913 1.691 0.599 0.461 0.909 0.545 CB 1.009 Z: 8 8.202 1.811 0.511 0.668 1.000 0.714 CB 0.970 8 residues pruned to eliminate duplicates Z: 12 17.419 1.786 0.775 0.871 1.000 0.545 CA 1.208 12 residues pruned to eliminate duplicates Z: 8 3.315 1.476 0.291 0.539 1.000 0.714 N 0.633 Z: 13 19.024 1.952 0.825 0.569 1.000 0.750 CB 1.443 13 residues pruned to eliminate duplicates Z: 8 3.291 1.525 0.246 0.328 0.857 0.429 CB 0.922 8 residues pruned to eliminate duplicates Z: 36 38.612 1.988 0.878 0.913 0.943 0.657 CA 1.312 36 residues pruned to eliminate duplicates Z: 6 2.117 1.417 0.879 0.316 0.600 0.400 N 0.726 Z: 14 6.967 1.639 0.326 0.484 0.846 0.615 CB 1.067 7 residues pruned to eliminate duplicates Z: 9 7.629 1.763 0.519 0.648 0.875 0.750 CA 1.003 9 residues pruned to eliminate duplicates Z: 10 3.835 1.657 -0.023 0.405 0.889 0.556 CB 0.982 Z: 11 13.903 1.769 0.677 0.834 1.000 0.700 CA 1.111 11 residues pruned to eliminate duplicates Z: 20 34.495 2.028 1.082 0.860 1.000 0.684 CA 1.378 20 residues pruned to eliminate duplicates Z: 11 4.990 1.526 0.596 0.277 0.800 0.400 CB 1.042 Z: 12 13.294 2.032 0.380 0.527 1.000 0.818 CB 1.391 9 residues pruned to eliminate duplicates Z: 12 6.231 1.480 0.257 0.532 0.909 0.636 CA 1.076 10 residues pruned to eliminate duplicates Z: 8 9.940 1.592 0.668 0.694 1.000 0.714 CB 1.186 8 residues pruned to eliminate duplicates Z: 6 2.936 1.537 0.076 0.611 0.800 0.600 N 0.893 6 residues pruned to eliminate duplicates Z: 7 6.634 1.395 1.058 0.545 0.833 0.333 N 1.084 Z: 16 13.914 1.772 0.768 0.585 0.867 0.267 CB 1.219 16 residues pruned to eliminate duplicates Z: 19 21.618 2.009 0.766 0.718 0.889 0.667 CB 1.327 19 residues pruned to eliminate duplicates Z: 13 13.051 1.696 0.684 0.919 1.000 0.750 CB 0.930 13 residues pruned to eliminate duplicates Z: 9 6.568 1.632 0.480 0.786 0.750 0.500 CA 0.997 9 residues pruned to eliminate duplicates Z: 11 14.229 1.817 0.193 0.925 1.000 1.000 CA 1.457 11 residues pruned to eliminate duplicates Z: 12 7.779 1.584 0.455 0.446 0.909 0.545 CA 1.183 22 residues pruned to eliminate duplicates Z: 31 17.301 1.796 0.512 0.496 0.900 0.567 CA 1.298 31 residues pruned to eliminate duplicates Z: 13 9.751 1.786 0.755 0.538 0.917 0.667 CB 0.943 11 residues pruned to eliminate duplicates Z: 13 13.528 1.632 0.786 0.812 0.833 0.583 CB 1.225 13 residues pruned to eliminate duplicates Z: 14 17.936 1.738 0.868 0.905 1.000 0.846 CB 1.091 14 residues pruned to eliminate duplicates Z: 11 8.838 1.680 0.411 0.892 1.000 0.700 CB 0.847 11 residues pruned to eliminate duplicates Z: 7 3.001 1.540 0.445 0.358 0.667 0.667 C 0.963 5 residues pruned to eliminate duplicates Z: 48 41.256 1.935 0.972 0.913 0.915 0.596 CB 1.220 48 residues pruned to eliminate duplicates Z: 49 38.705 1.948 0.589 0.916 1.000 0.896 CA 1.274 49 residues pruned to eliminate duplicates Z: 16 20.617 1.954 0.591 0.866 0.933 0.733 CA 1.344 16 residues pruned to eliminate duplicates Z: 10 5.953 1.535 0.600 0.502 1.000 0.444 CB 0.806 10 residues pruned to eliminate duplicates Z: 40 23.468 1.858 0.681 0.622 0.821 0.487 CB 1.307 40 residues pruned to eliminate duplicates Z: 8 2.274 1.335 0.109 0.319 0.857 0.429 O 0.827 8 residues pruned to eliminate duplicates 6 1.888 1.330 0.581 0.290 0.600 0.600 CB 0.847 ? Z: 16 20.938 1.705 0.760 0.927 1.000 0.933 CB 1.263 16 residues pruned to eliminate duplicates Z: 16 21.157 1.748 0.750 0.865 1.000 0.600 CB 1.309 16 residues pruned to eliminate duplicates 6 1.090 1.815 0.019 0.280 0.600 0.400 CB 0.563 ? Z: 15 21.698 1.752 0.804 0.914 1.000 0.643 CB 1.298 15 residues pruned to eliminate duplicates Z: 8 14.637 1.841 0.567 0.813 1.000 1.000 CA 1.461 9 residues pruned to eliminate duplicates Z: 11 11.585 2.010 0.065 0.903 1.000 1.000 CA 1.220 11 residues pruned to eliminate duplicates Z: 18 14.788 1.800 0.241 0.783 0.941 0.824 CA 1.329 18 residues pruned to eliminate duplicates Z: 7 4.553 1.454 0.255 0.668 0.833 0.833 CB 1.046 7 residues pruned to eliminate duplicates Z: 6 2.595 1.467 -0.117 0.755 0.800 0.800 CB 0.892 Z: 6 4.964 1.445 0.566 0.558 1.000 0.800 O 0.928 Z: 12 6.114 1.732 0.516 0.241 0.818 0.364 CB 1.159 12 residues pruned to eliminate duplicates Z: 14 15.490 1.748 0.657 0.888 1.000 0.846 CB 1.068 14 residues pruned to eliminate duplicates Z: 15 18.463 1.719 0.803 0.896 1.000 0.714 CB 1.141 15 residues pruned to eliminate duplicates Z: 9 2.966 1.415 0.117 0.566 0.875 0.625 N 0.711 Z: 7 4.605 1.678 0.820 0.554 0.500 0.500 CB 1.168 Z: 12 12.693 1.697 0.402 0.844 1.000 0.818 CA 1.197 12 residues pruned to eliminate duplicates Z: 9 7.043 1.747 0.634 0.554 0.875 0.625 CB 0.946 9 residues pruned to eliminate duplicates Z: 9 6.931 1.616 0.254 0.784 1.000 0.625 CB 0.942 Z: 35 23.922 1.847 0.542 0.621 0.971 0.676 CA 1.324 48 residues pruned to eliminate duplicates Z: 29 17.638 1.817 0.594 0.476 0.929 0.643 CB 1.269 29 residues pruned to eliminate duplicates Z: 8 7.862 1.725 0.686 0.646 0.857 0.857 CB 1.041 Z: 15 11.695 1.807 0.506 0.475 0.929 0.500 CB 1.268 27 residues pruned to eliminate duplicates Z: 6 5.485 1.561 0.242 0.670 1.000 0.800 CB 1.081 6 residues pruned to eliminate duplicates Z: 18 34.693 2.016 1.183 0.928 0.941 0.941 CB 1.423 18 residues pruned to eliminate duplicates Z: 27 12.036 1.726 0.199 0.523 0.962 0.538 CB 1.159 27 residues pruned to eliminate duplicates Z: 12 11.961 2.101 0.295 0.434 0.909 0.727 CB 1.562 12 residues pruned to eliminate duplicates Z: 8 12.886 1.823 0.607 0.842 0.857 0.714 CB 1.446 8 residues pruned to eliminate duplicates Z: 8 8.401 1.567 0.635 0.738 0.857 0.714 N 1.168 8 residues pruned to eliminate duplicates Z: 14 15.976 1.895 0.529 0.795 0.923 0.692 CA 1.279 14 residues pruned to eliminate duplicates Z: 13 10.987 1.559 0.535 0.861 1.000 0.750 CB 0.974 12 residues pruned to eliminate duplicates Z: 9 3.162 1.462 0.182 0.367 0.750 0.250 N 0.995 Z: 18 10.415 1.747 0.601 0.366 0.765 0.529 CA 1.363 18 residues pruned to eliminate duplicates Z: 39 25.845 1.957 0.527 0.514 0.921 0.579 CB 1.503 39 residues pruned to eliminate duplicates Z: 6 3.851 1.557 0.441 0.599 0.800 0.400 CA 0.873 Z: 13 18.630 1.923 0.568 0.829 1.000 0.917 CA 1.342 13 residues pruned to eliminate duplicates Z: 6 4.539 1.555 0.065 0.774 1.000 0.600 CB 0.962 Z: 6 2.362 1.470 0.454 0.293 0.800 0.400 CB 0.779 Z: 23 37.953 2.038 1.146 0.882 0.955 0.500 CA 1.402 23 residues pruned to eliminate duplicates Z: 11 3.901 1.369 0.727 0.144 0.900 0.500 CA 0.900 Z: 6 2.912 1.328 0.400 0.272 1.000 0.800 N 0.908 Z: 8 4.147 1.271 0.429 0.791 0.857 0.714 CB 0.780 5 residues pruned to eliminate duplicates Z: 20 10.517 1.793 0.543 0.405 0.842 0.684 CA 1.144 20 residues pruned to eliminate duplicates Z: 18 9.963 1.627 0.456 0.424 0.882 0.471 CB 1.252 18 residues pruned to eliminate duplicates Z: 6 9.093 1.865 0.390 0.666 1.000 0.800 N 1.346 6 residues pruned to eliminate duplicates Z: 9 6.474 1.839 0.300 0.508 0.750 0.625 CA 1.266 9 residues pruned to eliminate duplicates Z: 14 13.627 1.900 0.444 0.586 1.000 0.769 CB 1.269 14 residues pruned to eliminate duplicates Z: 6 3.597 1.159 0.456 0.820 0.800 0.600 C 0.902 Z: 6 3.362 1.371 0.696 0.617 0.800 0.800 CB 0.724 Z: 14 15.325 1.696 0.681 0.876 1.000 0.615 CB 1.083 14 residues pruned to eliminate duplicates Z: 7 3.588 1.234 0.788 0.420 0.833 0.667 CA 0.866 Z: 19 10.634 1.751 0.590 0.366 0.833 0.556 CB 1.248 19 residues pruned to eliminate duplicates Z: 15 11.118 1.713 0.477 0.386 1.000 0.714 CA 1.326 15 residues pruned to eliminate duplicates Z: 8 7.084 1.600 0.882 0.332 0.857 0.571 CB 1.246 Z: 7 8.407 1.493 0.566 0.802 1.000 1.000 CB 1.128 7 residues pruned to eliminate duplicates Z: 22 19.787 1.764 0.535 0.860 0.952 0.619 CB 1.231 22 residues pruned to eliminate duplicates Z: 12 6.175 1.607 0.193 0.579 0.818 0.545 N 1.101 12 residues pruned to eliminate duplicates Z: 7 3.303 1.395 0.486 0.533 0.833 0.500 CB 0.756 Z: 6 3.644 1.460 0.090 0.552 1.000 0.800 N 0.973 6 residues pruned to eliminate duplicates Z: 6 2.796 1.540 0.053 0.737 1.000 1.000 CB 0.623 Z: 33 38.341 1.937 0.960 0.801 0.969 0.594 CB 1.417 40 residues pruned to eliminate duplicates Z: 10 3.060 1.586 -0.100 0.444 0.889 0.444 CB 0.852 Z: 9 11.129 1.824 0.652 0.751 1.000 0.750 CA 1.044 9 residues pruned to eliminate duplicates Z: 8 5.792 1.636 0.069 0.486 1.000 0.429 O 1.269 Z: 11 6.313 1.647 0.529 0.515 0.800 0.700 CB 0.976 11 residues pruned to eliminate duplicates Z: 23 9.265 1.687 0.255 0.528 0.818 0.636 CB 1.109 37 residues pruned to eliminate duplicates Z: 7 5.926 1.839 -0.072 0.795 1.000 1.000 CB 1.095 Z: 15 22.481 2.015 0.431 0.854 1.000 0.500 CB 1.539 15 residues pruned to eliminate duplicates Z: 13 5.062 1.534 0.779 0.351 0.583 0.333 CB 1.079 11 residues pruned to eliminate duplicates Z: 8 6.975 1.519 1.075 0.781 0.714 0.286 CB 0.914 8 residues pruned to eliminate duplicates 6 1.718 1.668 0.734 0.100 0.600 0.200 CB 0.738 ? Z: 9 6.304 1.404 0.523 0.626 1.000 0.625 CB 0.926 5 residues pruned to eliminate duplicates Z: 13 15.560 1.665 0.641 0.828 1.000 0.750 CA 1.238 13 residues pruned to eliminate duplicates Z: 30 26.589 2.011 0.501 0.708 0.931 0.621 CA 1.454 30 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 5.019 1.669 -0.007 0.602 0.889 0.667 CB 1.031 9 residues pruned to eliminate duplicates Z: 6 4.976 1.687 0.483 0.409 0.800 0.600 CA 1.224 Z: 7 4.771 1.451 0.462 0.472 1.000 0.500 CA 0.944 7 residues pruned to eliminate duplicates Z: 20 9.717 1.820 0.427 0.368 0.789 0.474 CB 1.252 20 residues pruned to eliminate duplicates Z: 14 13.028 1.993 0.445 0.473 0.923 0.615 CB 1.397 13 residues pruned to eliminate duplicates Z: 6 8.153 1.752 0.653 0.475 1.000 1.000 CA 1.291 6 residues pruned to eliminate duplicates Z: 16 9.254 1.840 0.552 0.420 0.867 0.533 CB 1.050 16 residues pruned to eliminate duplicates Z: 14 13.182 1.974 0.530 0.447 1.000 0.615 CB 1.279 14 residues pruned to eliminate duplicates Z: 6 11.621 1.637 1.094 0.658 1.000 1.000 CB 1.310 6 residues pruned to eliminate duplicates Z: 13 12.562 2.062 0.416 0.459 1.000 0.750 CB 1.296 13 residues pruned to eliminate duplicates Z: 6 5.495 1.357 0.777 0.435 1.000 1.000 O 1.090 5 residues pruned to eliminate duplicates Z: 7 5.517 1.578 0.351 0.568 1.000 0.833 CA 0.989 6 residues pruned to eliminate duplicates Z: 8 3.142 1.196 0.693 0.580 1.000 1.000 CA 0.543 8 residues pruned to eliminate duplicates Z: 9 7.471 1.624 0.548 0.569 0.875 0.750 N 1.122 9 residues pruned to eliminate duplicates Z: 8 8.517 1.657 0.576 0.625 0.857 0.571 CA 1.279 8 residues pruned to eliminate duplicates Z: 34 20.833 1.743 0.497 0.711 0.909 0.697 CB 1.262 34 residues pruned to eliminate duplicates Z: 33 25.529 1.764 0.576 0.697 0.969 0.781 CB 1.401 33 residues pruned to eliminate duplicates Z: 32 23.496 1.774 0.604 0.656 0.935 0.710 CB 1.372 32 residues pruned to eliminate duplicates Z: 13 8.840 1.565 0.789 0.488 0.917 0.500 CA 1.006 13 residues pruned to eliminate duplicates Z: 9 12.916 1.680 0.810 0.628 1.000 0.875 CB 1.332 9 residues pruned to eliminate duplicates Z: 30 18.179 1.682 0.458 0.644 0.897 0.759 CB 1.342 30 residues pruned to eliminate duplicates Z: 30 16.199 1.744 0.390 0.688 0.897 0.759 CA 1.165 30 residues pruned to eliminate duplicates Z: 34 18.843 1.711 0.429 0.604 0.939 0.697 CB 1.294 34 residues pruned to eliminate duplicates Z: 17 17.894 1.813 0.769 0.756 0.938 0.625 CB 1.185 17 residues pruned to eliminate duplicates Z: 38 25.624 1.822 0.520 0.715 0.973 0.730 CA 1.287 38 residues pruned to eliminate duplicates Z: 39 21.835 1.742 0.476 0.660 0.895 0.658 CA 1.327 39 residues pruned to eliminate duplicates Z: 31 19.772 1.750 0.460 0.683 0.900 0.600 CB 1.327 31 residues pruned to eliminate duplicates Z: 27 21.990 1.649 0.687 0.652 0.962 0.577 CB 1.400 27 residues pruned to eliminate duplicates Z: 40 25.966 1.767 0.597 0.686 0.897 0.667 CB 1.384 40 residues pruned to eliminate duplicates Z: 23 20.931 1.824 0.578 0.783 0.864 0.636 CB 1.399 23 residues pruned to eliminate duplicates Z: 34 25.197 1.745 0.580 0.677 0.970 0.667 CB 1.393 34 residues pruned to eliminate duplicates Z: 47 26.463 1.731 0.628 0.641 0.935 0.717 CA 1.299 72 residues pruned to eliminate duplicates Z: 14 21.599 1.807 1.117 0.895 1.000 0.615 CB 1.123 14 residues pruned to eliminate duplicates Z: 35 20.003 1.696 0.649 0.572 0.941 0.618 CB 1.216 35 residues pruned to eliminate duplicates Z: 29 23.051 1.776 0.608 0.690 0.929 0.571 CB 1.380 29 residues pruned to eliminate duplicates Z: 22 22.384 1.826 0.660 0.768 0.952 0.571 CB 1.335 22 residues pruned to eliminate duplicates Z: 28 23.530 1.847 0.461 0.761 0.963 0.852 CA 1.383 28 residues pruned to eliminate duplicates Z: 41 26.416 1.771 0.622 0.685 0.900 0.750 CA 1.364 41 residues pruned to eliminate duplicates Z: 13 8.857 1.729 0.067 0.673 0.917 0.750 CA 1.290 13 residues pruned to eliminate duplicates Z: 15 10.035 1.686 0.473 0.631 0.786 0.643 CB 1.215 15 residues pruned to eliminate duplicates Z: 35 19.361 1.695 0.457 0.657 0.912 0.618 CB 1.275 46 residues pruned to eliminate duplicates Z: 12 10.274 1.726 0.300 0.734 0.909 0.909 CA 1.230 12 residues pruned to eliminate duplicates Z: 23 15.754 1.654 0.703 0.670 0.864 0.545 N 1.180 23 residues pruned to eliminate duplicates Z: 26 23.654 1.840 0.494 0.762 1.000 0.640 CA 1.363 26 residues pruned to eliminate duplicates Z: 27 18.808 1.828 0.483 0.673 0.885 0.654 CB 1.311 Z: 11 10.225 1.774 0.236 0.843 1.000 0.800 CA 1.098 11 residues pruned to eliminate duplicates Z: 11 10.667 1.785 0.355 0.850 0.900 0.800 CA 1.148 11 residues pruned to eliminate duplicates Z: 11 13.363 1.757 0.540 0.869 1.000 0.600 CA 1.141 11 residues pruned to eliminate duplicates Z: 10 13.312 1.848 0.479 0.818 1.000 0.667 CB 1.232 10 residues pruned to eliminate duplicates Z: 26 20.311 1.890 0.584 0.721 0.960 0.720 CB 1.157 28 residues pruned to eliminate duplicates Z: 11 12.804 1.778 0.329 0.889 1.000 0.800 CB 1.233 11 residues pruned to eliminate duplicates Z: 21 10.381 1.847 0.258 0.426 1.000 0.500 CB 1.079 15 residues pruned to eliminate duplicates Z: 7 5.388 1.392 0.948 0.393 1.000 0.500 CB 0.908 6 residues pruned to eliminate duplicates Z: 6 3.339 1.339 0.361 0.479 1.000 1.000 CA 0.837 6 residues pruned to eliminate duplicates Z: 41 21.105 1.855 0.548 0.539 0.925 0.575 CA 1.210 41 residues pruned to eliminate duplicates Z: 12 6.806 1.653 0.579 0.441 0.818 0.727 CA 1.021 12 residues pruned to eliminate duplicates Z: 39 19.998 1.833 0.614 0.539 0.895 0.579 CA 1.179 39 residues pruned to eliminate duplicates Z: 14 11.479 1.821 0.284 0.574 1.000 0.769 CB 1.268 14 residues pruned to eliminate duplicates Z: 47 25.236 1.902 0.630 0.541 0.957 0.630 CA 1.205 50 residues pruned to eliminate duplicates Z: 16 16.570 1.796 0.572 0.810 0.933 0.800 CA 1.239 16 residues pruned to eliminate duplicates Z: 25 18.359 1.839 0.592 0.642 0.958 0.625 CA 1.169 25 residues pruned to eliminate duplicates Z: 38 17.863 1.879 0.373 0.565 0.865 0.622 CA 1.236 38 residues pruned to eliminate duplicates Z: 15 10.390 1.746 0.640 0.729 0.786 0.571 CA 1.004 15 residues pruned to eliminate duplicates Z: 36 19.664 1.915 0.397 0.594 0.857 0.543 CA 1.325 36 residues pruned to eliminate duplicates Z: 39 22.184 1.858 0.662 0.529 0.947 0.605 CA 1.195 39 residues pruned to eliminate duplicates Z: 41 18.668 1.795 0.679 0.505 0.850 0.550 CA 1.147 41 residues pruned to eliminate duplicates Z: 35 23.571 1.877 0.625 0.662 0.941 0.588 CA 1.212 35 residues pruned to eliminate duplicates Z: 24 17.980 1.811 0.819 0.593 0.870 0.565 CA 1.197 24 residues pruned to eliminate duplicates Z: 42 18.755 1.792 0.665 0.509 0.902 0.488 CA 1.078 42 residues pruned to eliminate duplicates Z: 43 23.785 1.856 0.654 0.542 0.952 0.476 CA 1.205 43 residues pruned to eliminate duplicates Z: 48 24.359 1.844 0.688 0.547 0.915 0.617 CB 1.191 50 residues pruned to eliminate duplicates Z: 14 14.669 1.800 0.563 0.783 1.000 0.385 CA 1.127 14 residues pruned to eliminate duplicates Z: 39 20.179 1.854 0.534 0.514 0.947 0.526 CA 1.198 39 residues pruned to eliminate duplicates Z: 43 24.052 1.879 0.594 0.521 0.976 0.619 CB 1.243 43 residues pruned to eliminate duplicates Z: 39 21.894 1.814 0.785 0.547 0.895 0.395 CB 1.171 39 residues pruned to eliminate duplicates Z: 28 20.345 1.850 0.660 0.594 0.963 0.481 CB 1.210 28 residues pruned to eliminate duplicates Z: 15 12.924 1.940 0.569 0.685 0.857 0.571 CB 1.117 15 residues pruned to eliminate duplicates Z: 43 18.549 1.818 0.558 0.404 0.976 0.452 CA 1.146 43 residues pruned to eliminate duplicates Z: 32 20.374 1.882 0.735 0.540 0.903 0.484 CA 1.193 32 residues pruned to eliminate duplicates Z: 25 15.585 1.836 0.733 0.492 0.917 0.583 CA 1.099 25 residues pruned to eliminate duplicates Z: 9 13.069 1.915 0.898 0.759 1.000 0.625 CA 1.009 9 residues pruned to eliminate duplicates Z: 40 23.875 1.845 0.634 0.532 1.000 0.462 CB 1.229 40 residues pruned to eliminate duplicates Z: 42 23.053 1.818 0.729 0.570 0.951 0.488 CA 1.126 42 residues pruned to eliminate duplicates Z: 32 18.655 1.841 0.830 0.546 0.871 0.419 CA 1.091 32 residues pruned to eliminate duplicates Z: 11 6.080 1.728 0.974 0.335 0.700 0.600 CB 0.964 11 residues pruned to eliminate duplicates Z: 41 21.329 1.870 0.662 0.540 0.900 0.450 CA 1.159 41 residues pruned to eliminate duplicates Z: 11 7.902 1.762 0.679 0.411 0.900 0.500 CA 1.031 11 residues pruned to eliminate duplicates Z: 11 8.520 1.775 0.866 0.350 0.900 0.500 CA 1.063 11 residues pruned to eliminate duplicates Z: 11 6.209 1.740 0.769 0.418 0.900 0.500 CB 0.772 11 residues pruned to eliminate duplicates Z: 6 2.631 1.612 0.964 0.259 0.600 0.200 CA 0.816 5 residues pruned to eliminate duplicates Z: 6 2.420 1.482 0.309 0.220 0.800 0.200 N 0.968 Z: 7 6.178 1.504 0.804 0.408 1.000 0.667 CA 1.024 Z: 7 5.774 1.502 0.907 0.417 1.000 0.333 CA 0.898 Z: 19 19.618 1.730 0.492 0.890 1.000 0.778 CB 1.289 19 residues pruned to eliminate duplicates Z: 12 6.357 1.765 0.356 0.457 0.818 0.182 CB 1.023 12 residues pruned to eliminate duplicates Z: 19 20.400 1.779 0.938 0.524 0.944 0.556 CA 1.442 19 residues pruned to eliminate duplicates Z: 7 12.736 2.004 0.782 0.653 1.000 0.333 CB 1.263 7 residues pruned to eliminate duplicates Z: 9 10.789 1.940 0.583 0.644 1.000 0.500 CB 1.086 9 residues pruned to eliminate duplicates Z: 26 22.561 1.754 0.826 0.664 0.920 0.520 CA 1.316 26 residues pruned to eliminate duplicates Z: 17 15.427 1.752 0.781 0.703 0.812 0.500 CB 1.265 17 residues pruned to eliminate duplicates Z: 24 24.092 1.856 0.837 0.694 0.870 0.565 CB 1.419 24 residues pruned to eliminate duplicates Z: 14 20.294 1.907 0.840 0.879 0.923 0.692 CB 1.260 14 residues pruned to eliminate duplicates Z: 14 8.274 1.661 0.499 0.446 0.769 0.154 CB 1.266 14 residues pruned to eliminate duplicates Z: 17 13.150 1.743 0.622 0.585 0.875 0.375 CB 1.225 17 residues pruned to eliminate duplicates Z: 16 14.145 1.773 0.732 0.647 0.867 0.533 CB 1.197 16 residues pruned to eliminate duplicates Z: 33 17.227 1.766 0.466 0.561 0.969 0.406 CB 1.145 33 residues pruned to eliminate duplicates Z: 30 14.501 1.745 0.525 0.460 0.828 0.276 CB 1.273 30 residues pruned to eliminate duplicates Z: 30 13.364 1.656 0.530 0.404 0.931 0.414 CB 1.163 30 residues pruned to eliminate duplicates Z: 8 5.550 1.698 -0.037 0.718 1.000 0.571 CB 1.054 8 residues pruned to eliminate duplicates Z: 28 13.289 1.701 0.342 0.480 0.926 0.519 CB 1.235 28 residues pruned to eliminate duplicates Z: 9 4.873 1.665 0.287 0.456 0.750 0.250 CB 1.121 9 residues pruned to eliminate duplicates Z: 18 8.919 1.654 0.351 0.505 0.941 0.529 CB 1.024 18 residues pruned to eliminate duplicates Z: 19 9.991 1.673 0.419 0.459 0.944 0.444 CB 1.095 19 residues pruned to eliminate duplicates Z: 17 8.199 1.702 0.218 0.569 0.938 0.562 CB 0.986 17 residues pruned to eliminate duplicates Z: 26 11.674 1.742 0.448 0.435 0.920 0.440 CB 1.076 26 residues pruned to eliminate duplicates Z: 25 11.219 1.718 0.408 0.432 0.917 0.542 CB 1.108 25 residues pruned to eliminate duplicates Z: 27 11.819 1.728 0.410 0.459 0.846 0.538 CB 1.173 27 residues pruned to eliminate duplicates Z: 18 10.240 1.649 0.391 0.553 0.882 0.471 CB 1.164 18 residues pruned to eliminate duplicates Z: 46 17.158 1.759 0.514 0.441 0.822 0.444 CB 1.242 46 residues pruned to eliminate duplicates Z: 27 11.154 1.723 0.327 0.420 0.923 0.385 CB 1.127 27 residues pruned to eliminate duplicates Z: 11 6.641 1.857 0.280 0.328 0.800 0.400 CB 1.334 11 residues pruned to eliminate duplicates Z: 26 13.362 1.737 0.496 0.473 0.880 0.600 CB 1.201 26 residues pruned to eliminate duplicates Z: 13 8.780 1.877 0.460 0.331 0.833 0.500 CB 1.336 13 residues pruned to eliminate duplicates Z: 24 13.662 1.797 0.344 0.497 1.000 0.522 CB 1.183 24 residues pruned to eliminate duplicates Z: 13 10.032 1.840 0.362 0.395 0.917 0.583 CB 1.408 13 residues pruned to eliminate duplicates Z: 26 13.882 1.780 0.372 0.453 0.960 0.560 CB 1.243 26 residues pruned to eliminate duplicates Z: 12 11.339 1.869 0.482 0.436 0.909 0.545 CB 1.450 12 residues pruned to eliminate duplicates Z: 12 13.405 1.836 0.614 0.472 1.000 0.636 CB 1.402 12 residues pruned to eliminate duplicates Z: 10 11.560 1.949 0.477 0.423 1.000 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 49 21.436 1.809 0.551 0.502 0.854 0.500 CB 1.289 49 residues pruned to eliminate duplicates Z: 26 15.756 1.729 0.602 0.508 0.960 0.600 CB 1.175 26 residues pruned to eliminate duplicates Z: 31 12.238 1.631 0.454 0.406 0.900 0.433 CB 1.156 31 residues pruned to eliminate duplicates Z: 34 14.487 1.666 0.521 0.476 0.909 0.576 CA 1.121 13 residues pruned to eliminate duplicates Z: 8 3.062 1.386 0.238 0.510 1.000 0.571 CA 0.668 8 residues pruned to eliminate duplicates Z: 10 4.480 1.550 0.339 0.344 0.889 0.222 CB 0.960 10 residues pruned to eliminate duplicates Z: 6 4.562 1.598 0.259 0.423 1.000 0.400 N 1.098 6 residues pruned to eliminate duplicates Z: 13 3.986 1.458 0.200 0.430 0.833 0.417 CB 0.848 13 residues pruned to eliminate duplicates Z: 19 6.873 1.592 0.215 0.486 0.833 0.667 CB 1.020 19 residues pruned to eliminate duplicates Z: 9 4.022 1.526 0.434 0.604 1.000 0.500 CB 0.588 9 residues pruned to eliminate duplicates Z: 8 5.106 1.599 0.251 0.578 1.000 0.571 CB 0.895 8 residues pruned to eliminate duplicates Z: 23 14.200 1.811 0.550 0.498 0.864 0.500 CA 1.251 23 residues pruned to eliminate duplicates Z: 21 11.787 1.778 0.637 0.510 0.750 0.450 CB 1.196 21 residues pruned to eliminate duplicates Z: 17 13.598 1.810 0.501 0.613 0.938 0.562 CA 1.199 17 residues pruned to eliminate duplicates Z: 19 16.299 1.794 0.730 0.529 0.944 0.611 CA 1.274 19 residues pruned to eliminate duplicates Z: 24 11.628 1.754 0.647 0.429 0.696 0.261 CB 1.299 24 residues pruned to eliminate duplicates Z: 16 16.435 1.837 0.717 0.645 0.933 0.467 CA 1.259 16 residues pruned to eliminate duplicates Z: 14 16.938 1.968 0.734 0.731 0.923 0.538 CA 1.211 14 residues pruned to eliminate duplicates Z: 17 14.025 1.794 0.521 0.605 1.000 0.250 CA 1.164 17 residues pruned to eliminate duplicates Z: 15 13.255 1.843 0.500 0.634 0.929 0.643 CA 1.217 15 residues pruned to eliminate duplicates Z: 15 15.017 1.934 0.544 0.667 0.929 0.571 CA 1.241 15 residues pruned to eliminate duplicates Z: 17 12.234 1.765 0.502 0.596 0.938 0.562 CA 1.122 17 residues pruned to eliminate duplicates Z: 16 16.604 1.878 0.583 0.645 1.000 0.533 CA 1.260 16 residues pruned to eliminate duplicates Z: 15 11.511 1.878 0.653 0.706 0.714 0.214 CA 1.151 15 residues pruned to eliminate duplicates Z: 14 18.078 1.955 0.761 0.752 0.923 0.538 CA 1.260 14 residues pruned to eliminate duplicates Z: 23 14.682 1.759 0.506 0.560 0.864 0.364 CA 1.291 23 residues pruned to eliminate duplicates Z: 17 18.453 1.900 0.665 0.730 1.000 0.500 CA 1.186 17 residues pruned to eliminate duplicates Z: 21 13.840 1.829 0.452 0.620 0.900 0.500 CA 1.156 21 residues pruned to eliminate duplicates Z: 23 16.438 1.795 0.519 0.577 0.955 0.500 CB 1.250 23 residues pruned to eliminate duplicates Z: 20 12.533 1.859 0.551 0.610 0.737 0.474 CA 1.220 20 residues pruned to eliminate duplicates Z: 37 18.403 1.802 0.540 0.525 0.861 0.444 CB 1.252 37 residues pruned to eliminate duplicates Z: 13 7.127 1.783 0.372 0.364 0.667 0.250 N 1.460 13 residues pruned to eliminate duplicates Z: 15 9.071 1.720 0.347 0.601 0.857 0.357 CB 1.109 15 residues pruned to eliminate duplicates Z: 15 11.001 1.765 0.574 0.643 0.857 0.357 CB 1.080 15 residues pruned to eliminate duplicates Z: 25 14.176 1.754 0.657 0.490 0.833 0.542 CB 1.207 25 residues pruned to eliminate duplicates Z: 26 8.138 1.596 0.487 0.438 0.720 0.360 CB 1.015 26 residues pruned to eliminate duplicates Z: 9 8.976 1.802 0.677 0.537 0.750 0.500 CB 1.350 9 residues pruned to eliminate duplicates Z: 8 8.048 1.890 0.607 0.575 0.714 0.429 CB 1.304 8 residues pruned to eliminate duplicates Z: 8 8.725 1.812 0.757 0.617 0.714 0.143 CB 1.299 8 residues pruned to eliminate duplicates Z: 8 7.787 1.863 0.413 0.618 0.714 0.429 CB 1.399 8 residues pruned to eliminate duplicates Z: 20 12.951 1.817 0.489 0.465 0.895 0.421 CB 1.272 20 residues pruned to eliminate duplicates Z: 12 5.373 1.772 0.485 0.396 0.818 0.636 CB 0.840 12 residues pruned to eliminate duplicates Z: 12 10.661 1.855 0.429 0.485 1.000 0.455 CA 1.231 12 residues pruned to eliminate duplicates Z: 10 11.859 1.883 0.575 0.575 1.000 0.444 CA 1.240 10 residues pruned to eliminate duplicates Z: 12 11.313 1.706 0.620 0.552 0.909 0.636 CA 1.291 12 residues pruned to eliminate duplicates Z: 11 9.827 1.788 0.450 0.622 0.900 0.600 CA 1.188 11 residues pruned to eliminate duplicates Z: 12 8.140 1.807 0.331 0.474 0.818 0.727 CA 1.279 12 residues pruned to eliminate duplicates Z: 11 12.507 1.898 0.561 0.549 1.000 0.800 CB 1.273 11 residues pruned to eliminate duplicates Z: 6 6.606 1.464 0.918 0.478 1.000 0.400 CA 1.075 6 residues pruned to eliminate duplicates Z: 11 9.924 1.832 0.383 0.535 0.800 0.300 CA 1.495 11 residues pruned to eliminate duplicates Z: 12 7.933 1.712 0.426 0.461 0.818 0.545 CA 1.246 12 residues pruned to eliminate duplicates Z: 16 12.559 1.849 0.562 0.465 0.933 0.533 CB 1.247 16 residues pruned to eliminate duplicates Z: 16 13.554 1.836 0.614 0.527 0.933 0.600 CB 1.232 16 residues pruned to eliminate duplicates Z: 12 14.487 1.897 0.820 0.488 0.909 0.545 CB 1.409 12 residues pruned to eliminate duplicates Z: 15 14.013 1.868 0.629 0.528 0.929 0.571 CB 1.288 15 residues pruned to eliminate duplicates Z: 16 14.211 1.885 0.560 0.530 0.933 0.667 CB 1.299 16 residues pruned to eliminate duplicates Z: 16 15.062 1.874 0.688 0.562 0.933 0.667 CB 1.240 16 residues pruned to eliminate duplicates Z: 16 16.049 1.852 0.786 0.563 0.933 0.733 CB 1.263 16 residues pruned to eliminate duplicates Z: 15 16.403 1.942 0.794 0.576 1.000 0.857 CB 1.169 15 residues pruned to eliminate duplicates Z: 15 13.885 1.935 0.643 0.573 1.000 0.714 CB 1.088 15 residues pruned to eliminate duplicates Z: 16 10.739 1.853 0.557 0.535 0.867 0.600 CB 1.071 16 residues pruned to eliminate duplicates Z: 15 15.001 1.939 0.553 0.573 1.000 0.786 CB 1.241 15 residues pruned to eliminate duplicates Z: 6 4.132 1.622 0.294 0.342 1.000 0.200 CA 1.045 6 residues pruned to eliminate duplicates Z: 39 30.488 2.067 0.376 0.648 1.000 0.658 CA 1.514 39 residues pruned to eliminate duplicates Z: 54 33.005 2.038 0.416 0.601 0.981 0.698 CA 1.454 55 residues pruned to eliminate duplicates Z: 6 4.733 1.643 0.883 0.305 0.800 0.600 CA 1.063 6 residues pruned to eliminate duplicates Z: 40 27.744 2.085 0.351 0.619 0.949 0.769 CA 1.486 40 residues pruned to eliminate duplicates Z: 41 30.838 2.047 0.389 0.662 1.000 0.700 CA 1.476 41 residues pruned to eliminate duplicates Z: 54 30.831 2.035 0.393 0.618 0.925 0.717 CA 1.446 54 residues pruned to eliminate duplicates Z: 40 30.838 2.090 0.418 0.638 0.974 0.667 CA 1.503 40 residues pruned to eliminate duplicates Z: 41 28.735 2.052 0.350 0.642 0.950 0.750 CA 1.512 41 residues pruned to eliminate duplicates Z: 43 31.333 2.018 0.542 0.638 0.929 0.643 CB 1.470 43 residues pruned to eliminate duplicates Z: 41 34.243 2.077 0.489 0.665 1.000 0.725 CA 1.503 41 residues pruned to eliminate duplicates Z: 50 31.401 2.053 0.389 0.608 0.959 0.694 CB 1.480 50 residues pruned to eliminate duplicates Z: 41 27.616 2.046 0.459 0.583 0.900 0.550 CB 1.501 41 residues pruned to eliminate duplicates Z: 31 24.957 2.097 0.387 0.670 0.933 0.700 CA 1.434 31 residues pruned to eliminate duplicates Z: 38 31.161 2.088 0.468 0.642 0.973 0.703 CA 1.504 38 residues pruned to eliminate duplicates Z: 55 30.274 2.000 0.443 0.595 0.926 0.741 CB 1.408 55 residues pruned to eliminate duplicates Z: 40 31.862 2.088 0.412 0.630 1.000 0.667 CA 1.531 40 residues pruned to eliminate duplicates Z: 42 31.149 2.045 0.544 0.613 0.951 0.659 CA 1.455 42 residues pruned to eliminate duplicates Z: 41 34.004 2.075 0.485 0.679 1.000 0.800 CA 1.480 41 residues pruned to eliminate duplicates Z: 43 30.797 2.029 0.502 0.575 0.952 0.690 CA 1.523 56 residues pruned to eliminate duplicates Z: 42 32.662 2.053 0.455 0.652 1.000 0.732 CA 1.483 42 residues pruned to eliminate duplicates Z: 40 33.044 2.097 0.506 0.657 0.949 0.718 CA 1.526 40 residues pruned to eliminate duplicates Z: 40 32.835 2.078 0.485 0.662 0.974 0.795 CB 1.505 40 residues pruned to eliminate duplicates Z: 39 33.430 2.089 0.503 0.651 1.000 0.763 CA 1.501 39 residues pruned to eliminate duplicates Z: 42 31.877 2.072 0.468 0.662 0.951 0.732 CA 1.481 42 residues pruned to eliminate duplicates Z: 52 32.541 2.039 0.478 0.597 0.980 0.627 CB 1.406 52 residues pruned to eliminate duplicates Z: 41 33.601 2.089 0.537 0.665 0.925 0.725 CA 1.536 41 residues pruned to eliminate duplicates Z: 33 27.515 2.049 0.548 0.647 0.906 0.781 CA 1.476 33 residues pruned to eliminate duplicates Z: 31 28.326 2.121 0.509 0.685 0.900 0.767 CA 1.515 31 residues pruned to eliminate duplicates Z: 31 32.420 2.110 0.690 0.669 0.933 0.633 CA 1.521 31 residues pruned to eliminate duplicates Z: 13 19.229 2.095 0.623 0.772 0.917 0.750 CA 1.400 13 residues pruned to eliminate duplicates Z: 41 37.281 2.100 0.629 0.658 0.975 0.700 CA 1.526 41 residues pruned to eliminate duplicates Z: 54 37.957 2.062 0.568 0.608 0.981 0.642 CB 1.484 54 residues pruned to eliminate duplicates Z: 15 17.678 1.983 0.675 0.718 0.929 0.929 CA 1.257 15 residues pruned to eliminate duplicates Z: 11 12.008 1.897 0.725 0.451 1.000 0.700 CB 1.220 11 residues pruned to eliminate duplicates Z: 44 26.398 1.970 0.510 0.540 0.884 0.581 CA 1.473 44 residues pruned to eliminate duplicates Z: 11 15.220 2.013 0.978 0.483 0.900 0.800 N 1.366 11 residues pruned to eliminate duplicates Z: 53 34.100 2.007 0.677 0.556 0.904 0.654 CB 1.472 53 residues pruned to eliminate duplicates Z: 51 32.740 2.028 0.616 0.538 0.920 0.560 CB 1.479 51 residues pruned to eliminate duplicates Z: 12 19.424 2.009 0.975 0.581 1.000 0.455 CB 1.365 12 residues pruned to eliminate duplicates Z: 6 4.056 1.680 0.144 0.385 1.000 1.000 CB 1.066 6 residues pruned to eliminate duplicates Z: 13 17.316 1.964 0.717 0.604 1.000 0.667 CB 1.343 12 residues pruned to eliminate duplicates Z: 6 4.999 1.577 0.577 0.332 1.000 0.600 CA 1.080 6 residues pruned to eliminate duplicates Z: 21 24.711 1.933 0.554 0.838 1.000 0.700 CB 1.375 25 residues pruned to eliminate duplicates Z: 10 13.507 1.767 0.719 0.839 0.889 0.889 CB 1.245 10 residues pruned to eliminate duplicates Z: 29 34.459 1.998 0.735 0.920 1.000 0.750 CA 1.323 50 residues pruned to eliminate duplicates Z: 32 32.301 1.978 0.573 0.816 0.968 0.742 CA 1.464 32 residues pruned to eliminate duplicates Z: 26 29.156 1.918 0.820 0.776 0.920 0.680 CA 1.423 26 residues pruned to eliminate duplicates Z: 24 31.006 2.080 0.758 0.858 0.957 0.783 CA 1.362 24 residues pruned to eliminate duplicates Z: 45 37.199 1.962 0.732 0.775 0.955 0.682 CA 1.356 45 residues pruned to eliminate duplicates Z: 24 31.133 2.068 0.726 0.846 0.957 0.652 CA 1.413 24 residues pruned to eliminate duplicates Z: 34 39.275 2.038 0.769 0.871 1.000 0.727 CA 1.383 34 residues pruned to eliminate duplicates Z: 50 31.349 1.915 0.702 0.628 0.878 0.592 CB 1.388 66 residues pruned to eliminate duplicates Z: 38 36.290 1.969 0.652 0.909 0.973 0.703 CA 1.338 38 residues pruned to eliminate duplicates Z: 36 26.975 1.935 0.700 0.623 0.943 0.571 CA 1.308 36 residues pruned to eliminate duplicates Z: 64 43.999 1.983 0.706 0.782 0.968 0.698 CA 1.319 64 residues pruned to eliminate duplicates Z: 25 33.186 2.020 0.844 0.848 1.000 0.500 CA 1.349 25 residues pruned to eliminate duplicates Z: 28 34.473 1.985 0.979 0.791 0.889 0.519 CB 1.472 28 residues pruned to eliminate duplicates Z: 30 42.809 2.067 1.001 0.861 1.000 0.517 CA 1.412 30 residues pruned to eliminate duplicates Z: 26 42.340 2.069 1.014 0.886 0.960 0.520 CA 1.527 26 residues pruned to eliminate duplicates Z: 29 41.423 2.032 0.956 0.884 0.964 0.500 CA 1.477 29 residues pruned to eliminate duplicates Z: 28 33.182 1.927 1.064 0.844 0.852 0.370 CB 1.402 28 residues pruned to eliminate duplicates Z: 37 35.249 1.979 0.734 0.794 0.944 0.444 CB 1.401 37 residues pruned to eliminate duplicates Z: 29 36.578 2.005 1.010 0.830 0.857 0.393 CA 1.505 29 residues pruned to eliminate duplicates Z: 31 35.459 1.971 0.843 0.829 0.900 0.633 CB 1.490 31 residues pruned to eliminate duplicates Z: 39 33.046 1.938 0.758 0.751 0.947 0.579 CB 1.328 39 residues pruned to eliminate duplicates Z: 32 42.486 2.009 1.058 0.851 0.935 0.452 CB 1.461 32 residues pruned to eliminate duplicates Z: 32 41.906 2.006 1.022 0.804 1.000 0.484 CB 1.423 32 residues pruned to eliminate duplicates Z: 30 40.836 2.035 1.010 0.842 0.966 0.552 CB 1.431 30 residues pruned to eliminate duplicates Z: 37 37.299 1.919 0.967 0.779 0.917 0.417 CA 1.404 37 residues pruned to eliminate duplicates Z: 37 38.311 1.996 0.799 0.841 0.972 0.528 CB 1.365 37 residues pruned to eliminate duplicates Z: 42 35.256 1.958 0.876 0.747 0.927 0.512 CB 1.297 42 residues pruned to eliminate duplicates Z: 39 38.293 1.947 0.877 0.745 0.947 0.526 CA 1.441 39 residues pruned to eliminate duplicates Z: 7 6.993 1.796 0.368 0.286 1.000 0.667 N 1.479 7 residues pruned to eliminate duplicates Z: 29 27.108 1.967 0.752 0.682 1.000 0.857 CA 1.258 29 residues pruned to eliminate duplicates Z: 25 27.993 1.955 0.932 0.682 0.917 0.750 CA 1.396 25 residues pruned to eliminate duplicates Z: 26 21.353 1.998 0.523 0.636 0.960 0.760 CA 1.287 26 residues pruned to eliminate duplicates Z: 29 23.638 1.958 0.669 0.654 0.964 0.857 CA 1.228 29 residues pruned to eliminate duplicates Z: 40 31.931 1.927 0.744 0.648 0.974 0.615 CA 1.360 40 residues pruned to eliminate duplicates Z: 18 30.095 2.096 1.020 0.814 1.000 0.706 CA 1.312 18 residues pruned to eliminate duplicates Z: 29 25.144 1.969 0.578 0.645 0.964 0.643 CA 1.385 29 residues pruned to eliminate duplicates Z: 30 32.520 1.930 0.888 0.698 1.000 0.690 CA 1.383 30 residues pruned to eliminate duplicates Z: 16 34.527 2.084 1.196 0.918 0.933 0.533 CA 1.473 16 residues pruned to eliminate duplicates Z: 29 33.842 1.948 1.196 0.727 0.929 0.643 CB 1.312 29 residues pruned to eliminate duplicates Z: 26 32.874 2.046 1.021 0.678 0.960 0.600 CB 1.406 26 residues pruned to eliminate duplicates Z: 31 34.559 1.880 1.213 0.710 0.967 0.600 CB 1.296 31 residues pruned to eliminate duplicates Z: 28 36.549 1.951 1.070 0.790 0.963 0.741 CA 1.403 28 residues pruned to eliminate duplicates Z: 41 23.793 1.838 0.732 0.605 0.850 0.550 CA 1.258 41 residues pruned to eliminate duplicates Z: 31 31.756 1.988 0.848 0.681 1.000 0.667 CA 1.336 31 residues pruned to eliminate duplicates Z: 23 22.678 1.970 0.732 0.721 0.955 0.591 CB 1.216 23 residues pruned to eliminate duplicates Z: 44 29.492 1.912 0.665 0.608 0.977 0.628 CA 1.305 44 residues pruned to eliminate duplicates Z: 16 12.251 1.774 0.416 0.622 1.000 0.533 CB 1.122 16 residues pruned to eliminate duplicates Z: 9 2.267 1.636 0.357 0.369 0.500 0.500 CB 0.831 9 residues pruned to eliminate duplicates Z: 44 29.493 1.916 0.753 0.613 0.907 0.488 CA 1.326 44 residues pruned to eliminate duplicates Z: 35 30.614 1.941 0.777 0.696 0.971 0.588 CA 1.312 35 residues pruned to eliminate duplicates Z: 16 13.886 1.766 0.639 0.636 0.933 0.667 CB 1.168 16 residues pruned to eliminate duplicates Z: 18 12.607 1.720 0.674 0.538 0.941 0.529 CA 1.087 18 residues pruned to eliminate duplicates Z: 41 23.489 1.863 0.661 0.596 0.900 0.500 CA 1.217 41 residues pruned to eliminate duplicates Z: 44 31.381 1.909 0.797 0.615 0.953 0.535 CA 1.312 44 residues pruned to eliminate duplicates Z: 9 11.348 1.745 0.833 0.486 1.000 0.625 CB 1.273 9 residues pruned to eliminate duplicates Z: 11 7.140 1.750 0.534 0.365 0.800 0.400 CB 1.215 11 residues pruned to eliminate duplicates Z: 17 10.460 1.860 0.441 0.382 0.812 0.375 CB 1.361 17 residues pruned to eliminate duplicates Z: 7 9.937 1.908 0.831 0.610 1.000 0.667 CB 1.046 7 residues pruned to eliminate duplicates Z: 10 9.635 1.820 0.487 0.433 0.889 0.556 CB 1.431 10 residues pruned to eliminate duplicates Z: 19 12.841 1.883 0.530 0.390 0.944 0.500 CB 1.250 19 residues pruned to eliminate duplicates Z: 6 7.763 1.784 0.589 0.400 1.000 0.600 N 1.360 6 residues pruned to eliminate duplicates Z: 14 9.729 1.894 0.591 0.211 0.846 0.308 CB 1.490 14 residues pruned to eliminate duplicates Z: 16 12.279 1.952 0.597 0.375 0.867 0.533 CB 1.342 16 residues pruned to eliminate duplicates Z: 13 13.097 1.941 0.653 0.379 1.000 0.500 CB 1.340 13 residues pruned to eliminate duplicates Z: 7 2.083 1.141 0.503 0.255 0.833 0.333 CA 0.788 Z: 6 6.584 1.487 1.024 0.354 1.000 0.400 O 1.145 13 residues pruned to eliminate duplicates Z: 7 4.365 1.508 0.491 0.834 0.667 0.000 CA 0.891 7 residues pruned to eliminate duplicates Z: 9 4.646 1.460 0.287 0.520 0.875 0.375 N 0.979 6 residues pruned to eliminate duplicates Z: 10 7.508 1.461 0.471 0.779 1.000 0.222 CA 0.911 10 residues pruned to eliminate duplicates Z: 17 9.078 1.524 0.461 0.670 1.000 0.500 CA 0.872 17 residues pruned to eliminate duplicates Z: 9 6.349 1.523 0.210 0.876 1.000 0.375 CA 0.886 9 residues pruned to eliminate duplicates Z: 19 10.374 1.592 0.293 0.602 0.944 0.556 CB 1.142 14 residues pruned to eliminate duplicates Z: 12 5.642 1.452 0.400 0.690 0.818 0.636 CA 0.859 12 residues pruned to eliminate duplicates Z: 20 10.376 1.619 0.358 0.557 0.947 0.579 CA 1.081 20 residues pruned to eliminate duplicates Z: 14 7.479 1.614 0.367 0.401 1.000 0.462 CB 1.044 20 residues pruned to eliminate duplicates Z: 8 6.495 1.408 0.630 0.566 1.000 0.429 N 1.003 5 residues pruned to eliminate duplicates Z: 6 4.812 1.440 0.992 0.405 0.800 0.400 CA 1.036 7 residues pruned to eliminate duplicates Z: 6 6.330 1.593 0.851 0.385 1.000 0.800 CA 1.085 Z: 6 3.801 1.659 0.612 0.406 1.000 0.400 CA 0.701 6 residues pruned to eliminate duplicates Z: 12 10.103 1.723 0.832 0.477 0.818 0.727 CA 1.207 12 residues pruned to eliminate duplicates Z: 8 14.643 1.964 0.941 0.812 1.000 0.857 CA 1.107 8 residues pruned to eliminate duplicates Z: 10 12.620 1.841 0.629 0.805 1.000 0.889 CA 1.074 10 residues pruned to eliminate duplicates Z: 11 13.052 1.801 0.589 0.744 1.000 0.800 CA 1.160 11 residues pruned to eliminate duplicates Z: 18 10.942 1.783 0.473 0.387 0.882 0.647 CA 1.291 18 residues pruned to eliminate duplicates Z: 19 14.040 1.823 0.531 0.570 0.889 0.611 CA 1.247 19 residues pruned to eliminate duplicates Z: 45 23.230 1.872 0.512 0.544 0.864 0.591 CA 1.373 53 residues pruned to eliminate duplicates Z: 6 4.062 1.471 0.664 0.257 1.000 0.200 CB 0.981 6 residues pruned to eliminate duplicates Z: 39 22.635 1.839 0.545 0.562 0.947 0.579 CA 1.285 39 residues pruned to eliminate duplicates Z: 41 21.067 1.868 0.513 0.571 0.800 0.500 CA 1.375 41 residues pruned to eliminate duplicates Z: 16 14.291 1.957 0.595 0.451 0.933 0.600 CA 1.332 16 residues pruned to eliminate duplicates Z: 50 27.877 1.892 0.555 0.573 0.918 0.592 CA 1.374 50 residues pruned to eliminate duplicates Z: 36 21.988 1.867 0.495 0.548 0.943 0.629 CA 1.348 36 residues pruned to eliminate duplicates Z: 23 11.604 1.780 0.624 0.363 0.818 0.545 CA 1.212 23 residues pruned to eliminate duplicates Z: 35 22.232 1.897 0.538 0.573 0.882 0.706 CA 1.380 35 residues pruned to eliminate duplicates Z: 35 28.789 1.915 0.533 0.696 1.000 0.735 CA 1.405 35 residues pruned to eliminate duplicates Z: 26 18.073 1.916 0.490 0.549 0.880 0.560 CA 1.371 26 residues pruned to eliminate duplicates Z: 38 29.507 1.861 0.617 0.703 0.946 0.784 CB 1.417 38 residues pruned to eliminate duplicates Z: 23 22.246 1.911 0.596 0.663 0.909 0.545 CB 1.471 23 residues pruned to eliminate duplicates Z: 23 22.409 1.877 0.565 0.602 1.000 0.591 CA 1.476 23 residues pruned to eliminate duplicates Z: 21 21.495 1.957 0.538 0.670 0.950 0.750 CA 1.437 21 residues pruned to eliminate duplicates Z: 26 22.088 1.884 0.597 0.631 1.000 0.560 CA 1.298 26 residues pruned to eliminate duplicates Z: 21 20.831 1.909 0.605 0.691 0.950 0.700 N 1.344 21 residues pruned to eliminate duplicates Z: 28 22.226 1.782 0.728 0.671 0.852 0.556 N 1.392 28 residues pruned to eliminate duplicates Z: 35 30.829 1.917 0.622 0.702 0.971 0.706 CB 1.458 35 residues pruned to eliminate duplicates Z: 25 22.775 1.842 0.577 0.672 0.958 0.625 CB 1.425 25 residues pruned to eliminate duplicates Z: 34 24.438 1.827 0.651 0.645 0.909 0.636 CA 1.354 34 residues pruned to eliminate duplicates Z: 33 25.577 1.876 0.728 0.638 0.875 0.688 CA 1.401 33 residues pruned to eliminate duplicates Z: 26 22.362 1.845 0.607 0.684 0.920 0.520 N 1.385 26 residues pruned to eliminate duplicates Z: 29 20.553 1.841 0.453 0.575 0.929 0.500 CB 1.454 29 residues pruned to eliminate duplicates Z: 27 24.347 1.848 0.681 0.644 0.962 0.731 CB 1.398 27 residues pruned to eliminate duplicates Z: 32 23.385 1.865 0.533 0.670 0.935 0.548 CA 1.343 32 residues pruned to eliminate duplicates Z: 36 31.456 1.876 0.682 0.722 0.971 0.800 CA 1.420 36 residues pruned to eliminate duplicates Z: 16 13.353 1.783 0.518 0.714 0.933 0.667 CB 1.124 16 residues pruned to eliminate duplicates Z: 35 29.805 1.917 0.578 0.721 1.000 0.765 CA 1.385 35 residues pruned to eliminate duplicates Z: 13 12.497 1.781 0.538 0.762 0.917 0.667 CB 1.139 13 residues pruned to eliminate duplicates Z: 37 29.213 1.868 0.629 0.686 0.944 0.639 CB 1.428 37 residues pruned to eliminate duplicates Z: 36 25.455 1.825 0.706 0.653 0.857 0.486 CB 1.398 36 residues pruned to eliminate duplicates Z: 15 12.727 1.681 0.650 0.575 0.929 0.643 CB 1.228 15 residues pruned to eliminate duplicates Z: 36 26.247 1.895 0.606 0.661 0.914 0.657 CA 1.373 36 residues pruned to eliminate duplicates Z: 12 16.386 1.854 0.607 0.746 1.000 0.909 CA 1.331 12 residues pruned to eliminate duplicates Z: 38 27.718 1.917 0.612 0.644 0.919 0.649 CA 1.403 38 residues pruned to eliminate duplicates Z: 34 27.131 1.922 0.646 0.680 0.879 0.636 CB 1.440 34 residues pruned to eliminate duplicates Z: 10 12.113 1.808 0.596 0.652 0.889 0.778 CA 1.366 10 residues pruned to eliminate duplicates Z: 36 34.137 2.038 0.837 0.581 0.971 0.686 CA 1.467 38 residues pruned to eliminate duplicates Z: 6 3.358 1.614 0.565 0.300 0.600 0.600 CA 1.239 6 residues pruned to eliminate duplicates Z: 41 22.749 1.952 0.605 0.499 0.900 0.475 CB 1.277 41 residues pruned to eliminate duplicates Z: 35 24.220 2.020 0.520 0.522 0.912 0.588 CA 1.453 35 residues pruned to eliminate duplicates Z: 20 14.493 1.982 0.588 0.420 0.895 0.579 CA 1.284 20 residues pruned to eliminate duplicates Z: 27 24.773 2.024 0.717 0.535 1.000 0.577 CA 1.350 27 residues pruned to eliminate duplicates Z: 39 30.786 2.024 0.803 0.569 0.868 0.579 CA 1.474 39 residues pruned to eliminate duplicates Z: 38 27.122 2.013 0.635 0.482 0.946 0.595 CB 1.459 38 residues pruned to eliminate duplicates Z: 37 25.188 2.007 0.662 0.538 0.917 0.500 CB 1.323 37 residues pruned to eliminate duplicates Z: 35 25.997 1.976 0.697 0.553 0.941 0.559 CB 1.342 35 residues pruned to eliminate duplicates Z: 39 20.998 1.965 0.481 0.421 0.895 0.500 CB 1.420 39 residues pruned to eliminate duplicates Z: 39 29.565 2.019 0.691 0.566 0.921 0.579 CB 1.431 39 residues pruned to eliminate duplicates Z: 40 33.294 1.994 0.819 0.558 0.974 0.641 CA 1.426 40 residues pruned to eliminate duplicates Z: 32 22.036 2.017 0.631 0.466 0.871 0.387 CA 1.430 32 residues pruned to eliminate duplicates Z: 39 29.747 2.000 0.708 0.568 0.947 0.553 CA 1.396 39 residues pruned to eliminate duplicates Z: 37 26.824 2.019 0.652 0.497 0.917 0.583 CA 1.466 37 residues pruned to eliminate duplicates Z: 24 27.054 2.122 0.806 0.568 0.957 0.522 CB 1.442 24 residues pruned to eliminate duplicates Z: 38 30.031 2.036 0.744 0.523 0.946 0.459 CA 1.437 38 residues pruned to eliminate duplicates Z: 36 27.133 2.053 0.713 0.545 0.914 0.486 CA 1.365 36 residues pruned to eliminate duplicates Z: 37 28.897 1.998 0.807 0.532 0.944 0.694 CA 1.370 37 residues pruned to eliminate duplicates Z: 30 30.845 2.098 0.775 0.612 0.966 0.621 CB 1.432 30 residues pruned to eliminate duplicates Z: 38 33.553 2.043 0.857 0.624 0.946 0.622 CB 1.368 38 residues pruned to eliminate duplicates Z: 29 30.106 2.096 0.808 0.602 0.929 0.571 CA 1.468 29 residues pruned to eliminate duplicates Z: 38 31.925 2.036 0.768 0.620 0.946 0.649 CB 1.377 38 residues pruned to eliminate duplicates Z: 29 30.242 2.103 0.781 0.624 0.964 0.607 CA 1.408 29 residues pruned to eliminate duplicates Z: 34 19.507 1.935 0.597 0.472 0.848 0.455 CB 1.333 34 residues pruned to eliminate duplicates Z: 42 29.085 2.035 0.672 0.584 0.902 0.537 CB 1.364 42 residues pruned to eliminate duplicates Z: 34 16.637 1.918 0.417 0.468 0.879 0.515 CB 1.253 34 residues pruned to eliminate duplicates Z: 45 23.793 1.956 0.660 0.513 0.864 0.432 CB 1.262 45 residues pruned to eliminate duplicates Z: 25 14.018 1.880 0.573 0.378 0.833 0.458 CB 1.323 24 residues pruned to eliminate duplicates Z: 11 3.456 1.516 0.605 0.680 0.800 0.700 CB 0.476 11 residues pruned to eliminate duplicates Z: 16 9.675 1.828 0.496 0.334 0.867 0.333 CB 1.263 16 residues pruned to eliminate duplicates Z: 17 11.231 1.818 0.589 0.444 0.875 0.625 CB 1.176 17 residues pruned to eliminate duplicates Z: 6 2.029 1.284 0.290 0.375 0.600 0.200 CA 1.044 6 residues pruned to eliminate duplicates Z: 15 10.551 1.833 0.606 0.339 0.857 0.429 CB 1.331 15 residues pruned to eliminate duplicates Z: 54 32.343 1.969 0.695 0.542 0.943 0.547 CB 1.354 50 residues pruned to eliminate duplicates Z: 7 5.252 1.623 0.395 0.454 0.833 0.500 N 1.192 7 residues pruned to eliminate duplicates Z: 17 13.434 1.828 0.709 0.427 0.938 0.375 CB 1.236 17 residues pruned to eliminate duplicates Z: 8 4.585 1.544 0.655 0.516 0.857 0.429 CB 0.779 8 residues pruned to eliminate duplicates Z: 17 12.175 1.797 0.770 0.420 0.875 0.438 CB 1.189 17 residues pruned to eliminate duplicates 464 residues left after pruning, divided into chains as follows: A: 9 B: 51 C: 14 D: 14 E: 48 F: 49 G: 133 H: 9 I: 22 J: 61 K: 54 CC for partial structure against native data = 33.53 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.449, Connect. = 0.696 for dens.mod. cycle 1 = 0.300, Contrast = 0.511, Connect. = 0.720 for dens.mod. cycle 2 = 0.300, Contrast = 0.594, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.594, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.599, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.600, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.602, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.603, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.603, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.603, Connect. = 0.762 for dens.mod. cycle 10 TimeTaking 124.95