++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:56:23 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: ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.ins Phases from ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.phi Native data from ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.hkl Listing output to ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.lst Phases output to ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.phs Poly-Ala trace output to ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 42952 Reflections read from file ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.phi 42952 Reflections read from file ./2od6-1.8-parrot-hancs/2od6-1.8-parrot-hancs.hkl 42952 Unique data, highest resolution = 1.849 Angstroms Anisotropic scaling: intensities multiplied by 0.007623h^2 -0.000405k^2 -0.000077l^2 +0.000000kl +0.000000hl +0.000000hk 75 Reflections with d > 2.049 and 0 in range 2.049 > d > 1.849 added Density sharpening factor set to 0.98 Fourier grid = 64 x 256 x 60 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.720 = 0.300, Contrast = 0.364, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.538, Connect. = 0.773 for dens.mod. cycle 3 = 0.300, Contrast = 0.564, Connect. = 0.779 for dens.mod. cycle 4 = 0.300, Contrast = 0.579, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.588, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.595, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.600, Connect. = 0.789 for dens.mod. cycle 8 = 0.300, Contrast = 0.604, Connect. = 0.790 for dens.mod. cycle 9 = 0.300, Contrast = 0.606, Connect. = 0.791 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2019 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 519 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 43 52.138 2.139 1.166 0.737 0.905 0.714 CB 1.551 B: 49 47.622 2.163 0.802 0.725 0.958 0.688 CB 1.502 C: 83 69.977 2.154 1.143 0.689 0.927 0.671 CB 1.520 D: 18 31.447 2.141 0.709 0.935 1.000 0.941 CB 1.452 18 residues pruned to eliminate duplicates E: 26 34.293 2.046 0.919 0.766 0.960 0.800 CB 1.438 F: 40 47.071 2.213 0.969 0.798 0.897 0.718 CB 1.485 40 residues pruned to eliminate duplicates G: 18 25.018 2.027 1.001 0.679 0.941 0.647 CB 1.349 H: 42 36.537 1.977 1.105 0.608 0.951 0.610 CB 1.301 26 residues pruned to eliminate duplicates I: 54 43.018 2.073 0.862 0.570 0.943 0.717 CB 1.517 J: 13 25.207 2.212 0.909 0.557 1.000 0.583 CB 1.630 K: 23 25.903 2.089 1.013 0.634 0.864 0.682 CB 1.341 14 residues pruned to eliminate duplicates L: 42 45.429 2.156 0.880 0.755 0.976 0.707 CB 1.430 42 residues pruned to eliminate duplicates M: 27 42.796 2.132 1.094 0.907 0.923 0.538 CB 1.448 27 residues pruned to eliminate duplicates N: 19 17.744 1.892 0.952 0.461 0.944 0.611 CB 1.247 19 residues pruned to eliminate duplicates O: 15 14.261 1.946 0.704 0.469 0.857 0.643 CB 1.384 15 residues pruned to eliminate duplicates P: 57 50.469 2.204 0.842 0.679 0.946 0.625 CB 1.489 47 residues pruned to eliminate duplicates Q: 17 37.034 2.112 1.095 0.913 1.000 0.750 CB 1.480 17 residues pruned to eliminate duplicates R: 32 41.025 2.086 1.096 0.706 0.968 0.806 CB 1.443 32 residues pruned to eliminate duplicates S: 24 17.947 1.966 0.694 0.526 0.870 0.522 CB 1.259 19 residues pruned to eliminate duplicates T: 27 49.378 2.163 1.245 0.735 0.962 0.923 CB 1.679 28 residues pruned to eliminate duplicates U: 10 27.630 2.153 1.066 0.876 1.000 0.889 CB 1.505 13 residues pruned to eliminate duplicates V: 17 32.486 2.046 1.092 0.888 0.938 0.750 CB 1.458 17 residues pruned to eliminate duplicates W: 49 49.583 2.144 1.045 0.732 0.958 0.625 CB 1.383 51 residues pruned to eliminate duplicates X: 29 30.903 2.032 0.771 0.872 0.929 0.679 CB 1.273 29 residues pruned to eliminate duplicates Y: 11 21.075 1.994 0.966 0.814 1.000 0.700 CB 1.293 11 residues pruned to eliminate duplicates Z: 54 47.394 2.070 0.962 0.591 0.962 0.698 CB 1.527 53 residues pruned to eliminate duplicates Z: 16 33.545 2.145 0.979 0.939 0.933 0.800 CB 1.519 16 residues pruned to eliminate duplicates Z: 44 51.162 2.186 1.181 0.632 0.953 0.767 CB 1.517 45 residues pruned to eliminate duplicates Z: 10 20.134 2.090 0.893 0.837 0.889 0.556 CB 1.428 10 residues pruned to eliminate duplicates Z: 27 46.055 2.114 1.020 0.895 1.000 0.462 CB 1.517 27 residues pruned to eliminate duplicates Z: 15 17.362 1.986 1.090 0.424 0.929 0.571 CA 1.304 Z: 17 34.005 2.187 0.878 0.944 1.000 0.938 CB 1.433 17 residues pruned to eliminate duplicates Z: 41 57.092 2.167 1.207 0.775 0.975 0.675 CB 1.518 42 residues pruned to eliminate duplicates Z: 28 38.972 2.068 0.837 0.881 1.000 0.741 CB 1.429 28 residues pruned to eliminate duplicates Z: 28 50.227 2.247 1.120 0.720 1.000 0.704 CB 1.663 28 residues pruned to eliminate duplicates Z: 25 40.323 2.086 1.136 0.793 1.000 0.792 CB 1.429 25 residues pruned to eliminate duplicates Z: 15 12.617 1.918 0.743 0.453 0.786 0.500 CB 1.348 15 residues pruned to eliminate duplicates Z: 19 27.485 1.997 0.738 0.897 0.944 0.833 CB 1.415 18 residues pruned to eliminate duplicates Z: 17 43.698 2.107 1.435 0.938 1.000 0.938 CB 1.481 17 residues pruned to eliminate duplicates Z: 82 62.949 2.137 1.039 0.703 0.951 0.704 CB 1.404 65 residues pruned to eliminate duplicates Z: 28 45.459 2.129 1.259 0.749 0.926 0.778 CB 1.573 28 residues pruned to eliminate duplicates Z: 53 53.792 2.154 1.083 0.722 0.923 0.712 CB 1.474 53 residues pruned to eliminate duplicates Z: 55 49.335 2.111 1.018 0.706 0.926 0.593 CB 1.411 55 residues pruned to eliminate duplicates Z: 27 40.221 2.129 0.926 0.868 0.962 0.769 CB 1.463 27 residues pruned to eliminate duplicates Z: 47 41.737 2.090 0.856 0.620 1.000 0.783 CB 1.417 36 residues pruned to eliminate duplicates Z: 16 10.126 1.781 0.826 0.250 0.800 0.533 CA 1.339 16 residues pruned to eliminate duplicates Z: 16 21.449 1.974 0.628 0.874 0.933 0.867 CB 1.344 16 residues pruned to eliminate duplicates Z: 39 38.516 2.026 0.817 0.790 0.974 0.632 CB 1.352 30 residues pruned to eliminate duplicates Z: 12 14.562 1.947 0.308 0.801 0.909 0.636 CB 1.458 12 residues pruned to eliminate duplicates Z: 15 13.845 1.943 0.824 0.390 0.786 0.500 CB 1.492 15 residues pruned to eliminate duplicates Z: 10 21.943 2.028 0.804 0.868 1.000 0.889 CB 1.462 10 residues pruned to eliminate duplicates Z: 31 44.118 2.157 1.074 0.776 0.967 0.900 CB 1.460 31 residues pruned to eliminate duplicates Z: 28 45.084 2.094 1.120 0.882 0.963 0.667 CB 1.468 28 residues pruned to eliminate duplicates Z: 63 57.306 2.122 1.090 0.650 0.952 0.726 CB 1.500 104 residues pruned to eliminate duplicates Z: 40 51.395 2.154 1.090 0.775 0.897 0.692 CB 1.598 40 residues pruned to eliminate duplicates Z: 28 44.604 2.098 1.016 0.909 1.000 0.852 CB 1.440 28 residues pruned to eliminate duplicates Z: 25 41.120 2.064 1.150 0.771 1.000 0.875 CB 1.488 26 residues pruned to eliminate duplicates Z: 26 35.498 2.176 0.838 0.905 0.920 0.480 CB 1.373 26 residues pruned to eliminate duplicates Z: 102 65.689 2.104 0.945 0.628 0.970 0.733 CB 1.460 102 residues pruned to eliminate duplicates Z: 18 34.335 2.195 1.125 0.897 0.941 0.765 CB 1.357 18 residues pruned to eliminate duplicates Z: 28 37.579 2.094 1.070 0.735 0.963 0.778 CB 1.403 28 residues pruned to eliminate duplicates Z: 25 34.503 2.057 1.044 0.716 0.958 0.833 CB 1.437 25 residues pruned to eliminate duplicates Z: 27 40.606 2.136 0.964 0.912 0.923 0.692 CB 1.456 27 residues pruned to eliminate duplicates Z: 17 39.033 2.104 1.135 0.948 1.000 0.938 CB 1.501 17 residues pruned to eliminate duplicates Z: 27 47.635 2.167 1.104 0.897 0.962 0.692 CB 1.525 27 residues pruned to eliminate duplicates Z: 6 6.951 1.832 0.327 0.676 1.000 0.800 CB 1.087 6 residues pruned to eliminate duplicates Z: 56 54.049 2.110 1.116 0.681 0.964 0.655 CB 1.434 56 residues pruned to eliminate duplicates Z: 82 61.831 2.106 0.922 0.719 0.975 0.753 CB 1.428 82 residues pruned to eliminate duplicates Z: 27 45.468 2.135 1.157 0.721 0.962 0.846 CB 1.650 27 residues pruned to eliminate duplicates Z: 15 23.533 1.932 0.874 0.933 1.000 0.857 CB 1.212 15 residues pruned to eliminate duplicates Z: 28 39.281 2.097 0.961 0.862 1.000 0.704 CB 1.350 28 residues pruned to eliminate duplicates Z: 30 39.633 2.166 0.972 0.683 0.966 0.793 CB 1.508 30 residues pruned to eliminate duplicates Z: 27 43.966 2.121 0.951 0.901 1.000 0.731 CB 1.487 27 residues pruned to eliminate duplicates Z: 11 13.843 1.964 0.436 0.736 0.900 0.700 CB 1.396 11 residues pruned to eliminate duplicates Z: 51 43.633 2.067 0.913 0.717 0.940 0.660 CB 1.364 51 residues pruned to eliminate duplicates Z: 27 35.889 2.049 0.933 0.772 1.000 0.962 CB 1.396 27 residues pruned to eliminate duplicates Z: 54 46.640 2.097 0.933 0.613 0.925 0.792 CB 1.536 54 residues pruned to eliminate duplicates Z: 28 32.768 2.079 0.670 0.899 0.963 0.667 CB 1.348 28 residues pruned to eliminate duplicates Z: 10 22.059 1.979 0.837 0.863 1.000 0.778 CB 1.485 10 residues pruned to eliminate duplicates Z: 26 35.145 2.025 1.096 0.718 1.000 0.880 CB 1.359 26 residues pruned to eliminate duplicates Z: 19 25.027 1.967 1.043 0.642 0.889 0.667 CB 1.446 Z: 27 39.506 2.140 0.828 0.918 0.962 0.692 CB 1.453 27 residues pruned to eliminate duplicates Z: 26 36.261 2.009 1.049 0.773 1.000 0.840 CB 1.384 26 residues pruned to eliminate duplicates Z: 27 33.658 2.075 0.645 0.897 0.962 0.846 CB 1.440 27 residues pruned to eliminate duplicates Z: 17 10.551 1.930 0.813 0.319 0.750 0.500 CB 1.227 17 residues pruned to eliminate duplicates Z: 27 39.323 2.158 1.074 0.912 0.885 0.577 CB 1.380 27 residues pruned to eliminate duplicates Z: 11 10.653 1.781 0.773 0.501 0.800 0.500 CB 1.332 Z: 52 45.135 1.969 1.017 0.624 0.941 0.569 CB 1.503 52 residues pruned to eliminate duplicates Z: 8 22.933 2.153 0.959 0.921 1.000 1.000 CB 1.447 8 residues pruned to eliminate duplicates Z: 39 58.236 2.190 1.136 0.795 0.974 0.763 CB 1.602 39 residues pruned to eliminate duplicates Z: 13 16.255 2.116 1.124 0.507 0.750 0.667 CB 1.383 13 residues pruned to eliminate duplicates Z: 54 51.268 2.123 1.024 0.705 0.925 0.717 CB 1.471 54 residues pruned to eliminate duplicates Z: 10 14.345 1.878 0.972 0.552 0.889 0.556 C 1.381 Z: 15 23.122 1.916 0.778 0.901 1.000 0.786 CB 1.295 14 residues pruned to eliminate duplicates Z: 27 33.028 2.106 0.744 0.912 0.885 0.500 CB 1.412 27 residues pruned to eliminate duplicates Z: 17 32.220 2.070 1.247 0.930 0.938 0.500 CB 1.292 17 residues pruned to eliminate duplicates Z: 28 42.669 2.049 1.034 0.914 0.963 0.852 CB 1.447 28 residues pruned to eliminate duplicates Z: 77 53.128 2.099 0.878 0.638 0.947 0.737 CB 1.435 77 residues pruned to eliminate duplicates Z: 43 41.897 2.105 0.942 0.732 0.881 0.619 CB 1.456 43 residues pruned to eliminate duplicates Z: 27 39.548 2.125 0.892 0.885 0.923 0.731 CB 1.509 27 residues pruned to eliminate duplicates Z: 27 51.853 2.164 1.281 0.756 0.962 0.885 CB 1.705 27 residues pruned to eliminate duplicates Z: 8 10.067 2.100 0.955 0.343 0.857 0.571 CB 1.282 8 residues pruned to eliminate duplicates Z: 18 25.078 1.962 0.966 0.898 0.941 0.294 CB 1.198 18 residues pruned to eliminate duplicates Z: 6 8.296 1.780 1.091 0.425 0.800 0.400 CB 1.347 6 residues pruned to eliminate duplicates Z: 28 37.851 2.063 0.892 0.893 1.000 0.852 CB 1.339 28 residues pruned to eliminate duplicates Z: 27 30.486 1.983 0.904 0.700 0.962 0.846 CB 1.373 27 residues pruned to eliminate duplicates Z: 10 21.580 2.207 0.479 0.856 1.000 0.667 CB 1.625 10 residues pruned to eliminate duplicates Z: 19 35.218 2.136 1.300 0.878 1.000 0.556 CB 1.226 19 residues pruned to eliminate duplicates Z: 25 25.839 2.022 1.069 0.539 0.833 0.667 CA 1.456 25 residues pruned to eliminate duplicates Z: 15 22.894 1.910 0.835 0.897 1.000 0.786 CB 1.250 15 residues pruned to eliminate duplicates Z: 12 19.740 1.952 0.548 0.802 1.000 0.818 CB 1.513 12 residues pruned to eliminate duplicates Z: 27 33.421 2.087 0.663 0.905 0.962 0.731 CB 1.397 27 residues pruned to eliminate duplicates Z: 13 27.960 2.101 0.846 0.833 1.000 0.583 CA 1.562 13 residues pruned to eliminate duplicates Z: 39 52.554 2.163 0.978 0.802 0.974 0.684 CB 1.572 39 residues pruned to eliminate duplicates Z: 27 25.564 2.001 0.827 0.537 0.962 0.654 CB 1.376 27 residues pruned to eliminate duplicates Z: 18 15.219 1.782 1.050 0.402 0.882 0.588 CB 1.270 11 residues pruned to eliminate duplicates Z: 28 35.843 2.073 0.826 0.863 0.963 0.815 CB 1.389 28 residues pruned to eliminate duplicates Z: 17 32.891 2.051 0.930 0.936 1.000 0.688 CB 1.447 17 residues pruned to eliminate duplicates Z: 54 51.039 2.120 0.981 0.658 0.962 0.755 CB 1.498 54 residues pruned to eliminate duplicates Z: 46 42.981 2.176 0.827 0.713 0.889 0.711 CB 1.494 46 residues pruned to eliminate duplicates Z: 25 42.806 2.166 0.959 0.911 0.958 0.708 CB 1.524 25 residues pruned to eliminate duplicates Z: 79 52.002 2.075 1.031 0.628 0.923 0.615 CB 1.341 79 residues pruned to eliminate duplicates Z: 19 28.928 2.108 0.871 0.897 0.944 0.778 CB 1.310 19 residues pruned to eliminate duplicates Z: 13 17.355 1.875 1.016 0.534 0.917 0.667 CA 1.398 10 residues pruned to eliminate duplicates Z: 81 64.737 2.157 1.005 0.702 0.950 0.688 CB 1.466 80 residues pruned to eliminate duplicates Z: 28 35.538 2.050 0.987 0.731 0.963 0.778 CB 1.417 28 residues pruned to eliminate duplicates Z: 19 33.037 2.032 0.975 0.915 1.000 0.889 CB 1.371 19 residues pruned to eliminate duplicates Z: 18 33.074 2.151 0.926 0.943 0.941 0.706 CB 1.426 18 residues pruned to eliminate duplicates Z: 16 19.485 1.842 0.680 0.940 1.000 0.800 CB 1.128 16 residues pruned to eliminate duplicates Z: 27 45.358 2.148 1.008 0.932 0.962 0.923 CB 1.498 27 residues pruned to eliminate duplicates Z: 18 22.539 2.016 1.052 0.563 0.882 0.706 CB 1.409 18 residues pruned to eliminate duplicates Z: 45 47.742 2.083 1.078 0.711 0.932 0.659 CB 1.473 45 residues pruned to eliminate duplicates Z: 27 28.237 1.867 0.653 0.869 1.000 0.692 CB 1.310 5 residues pruned to eliminate duplicates Z: 16 21.201 1.855 0.926 0.946 0.933 0.933 CB 1.135 16 residues pruned to eliminate duplicates Z: 28 41.560 2.080 1.042 0.875 0.963 0.704 CB 1.422 28 residues pruned to eliminate duplicates Z: 17 38.848 2.188 1.324 0.872 0.938 0.750 CB 1.485 17 residues pruned to eliminate duplicates Z: 15 20.407 2.029 1.017 0.504 0.929 0.571 CB 1.430 14 residues pruned to eliminate duplicates Z: 12 18.342 2.066 1.148 0.454 0.909 0.636 CA 1.437 13 residues pruned to eliminate duplicates Z: 27 44.491 2.168 1.045 0.890 0.923 0.769 CB 1.535 27 residues pruned to eliminate duplicates Z: 15 22.679 1.907 0.831 0.951 1.000 1.000 CB 1.196 15 residues pruned to eliminate duplicates Z: 12 23.684 2.149 0.747 0.696 1.000 1.000 CB 1.590 12 residues pruned to eliminate duplicates Z: 11 14.927 1.917 0.564 0.809 0.900 0.500 CB 1.336 11 residues pruned to eliminate duplicates Z: 16 16.823 1.835 0.466 0.916 1.000 0.867 CB 1.140 16 residues pruned to eliminate duplicates Z: 26 28.827 1.961 0.752 0.908 0.960 0.520 CB 1.242 27 residues pruned to eliminate duplicates Z: 13 25.449 2.133 1.265 0.541 1.000 0.750 CB 1.461 13 residues pruned to eliminate duplicates Z: 11 6.024 1.782 0.609 0.310 0.600 0.300 CA 1.366 11 residues pruned to eliminate duplicates Z: 28 28.381 2.055 0.757 0.895 0.852 0.444 CB 1.273 28 residues pruned to eliminate duplicates Z: 13 19.632 1.862 0.868 0.909 1.000 0.917 CB 1.157 13 residues pruned to eliminate duplicates Z: 16 33.504 2.053 1.061 0.901 1.000 0.800 CB 1.459 16 residues pruned to eliminate duplicates Z: 66 54.664 2.115 0.920 0.647 0.954 0.677 CB 1.525 52 residues pruned to eliminate duplicates Z: 9 18.871 2.083 0.677 0.905 1.000 0.875 CB 1.359 9 residues pruned to eliminate duplicates Z: 51 34.615 2.136 0.567 0.635 0.940 0.640 CB 1.371 51 residues pruned to eliminate duplicates Z: 28 40.248 2.066 0.906 0.883 1.000 0.852 CB 1.422 28 residues pruned to eliminate duplicates Z: 11 14.854 1.882 0.701 0.830 0.900 0.500 CB 1.226 11 residues pruned to eliminate duplicates Z: 14 8.910 1.781 0.977 0.344 0.692 0.538 CB 1.201 14 residues pruned to eliminate duplicates Z: 50 35.480 2.013 0.692 0.668 0.939 0.612 CB 1.358 90 residues pruned to eliminate duplicates Z: 18 38.952 2.026 1.310 0.933 1.000 0.765 CB 1.408 18 residues pruned to eliminate duplicates Z: 73 53.857 2.130 0.825 0.701 0.944 0.639 CB 1.438 78 residues pruned to eliminate duplicates Z: 14 22.875 2.013 1.027 0.740 0.923 0.769 CB 1.359 14 residues pruned to eliminate duplicates Z: 12 13.548 1.967 0.587 0.426 1.000 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 40 54.452 2.160 1.082 0.774 0.974 0.769 CB 1.562 40 residues pruned to eliminate duplicates Z: 17 15.122 1.940 0.766 0.453 0.812 0.562 CB 1.424 17 residues pruned to eliminate duplicates Z: 26 40.688 2.181 1.032 0.917 0.920 0.640 CB 1.408 26 residues pruned to eliminate duplicates Z: 47 45.152 2.161 0.794 0.729 0.957 0.587 CB 1.461 47 residues pruned to eliminate duplicates Z: 27 33.768 2.145 0.651 0.880 0.923 0.654 CB 1.468 27 residues pruned to eliminate duplicates Z: 30 28.684 2.025 0.961 0.490 0.931 0.621 CB 1.456 30 residues pruned to eliminate duplicates Z: 15 19.138 1.913 0.734 0.581 0.929 0.643 CB 1.537 13 residues pruned to eliminate duplicates Z: 26 37.078 2.118 0.825 0.905 0.960 0.720 CB 1.422 26 residues pruned to eliminate duplicates Z: 9 18.080 2.059 0.838 0.856 0.875 0.625 CB 1.424 9 residues pruned to eliminate duplicates Z: 8 11.945 1.935 0.469 0.841 1.000 0.571 CB 1.185 8 residues pruned to eliminate duplicates Z: 11 17.659 1.980 0.810 0.819 0.800 0.700 CA 1.477 11 residues pruned to eliminate duplicates Z: 15 13.484 1.863 1.037 0.426 0.857 0.500 CA 1.196 15 residues pruned to eliminate duplicates Z: 29 38.736 2.048 0.914 0.882 1.000 0.750 CB 1.352 29 residues pruned to eliminate duplicates Z: 12 17.421 1.948 0.565 0.787 0.909 0.636 CB 1.473 12 residues pruned to eliminate duplicates Z: 32 22.632 2.014 0.876 0.511 0.839 0.645 CB 1.269 32 residues pruned to eliminate duplicates Z: 13 16.157 1.730 0.666 0.840 1.000 0.750 CB 1.207 Z: 10 14.356 2.113 0.564 0.589 0.889 0.556 CB 1.496 10 residues pruned to eliminate duplicates Z: 12 16.319 1.895 0.598 0.778 1.000 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 27 35.473 2.127 0.703 0.912 0.962 0.731 CB 1.415 27 residues pruned to eliminate duplicates Z: 39 34.326 2.033 0.634 0.735 1.000 0.579 CB 1.357 12 residues pruned to eliminate duplicates Z: 15 10.738 1.937 0.404 0.330 0.857 0.571 CB 1.483 17 residues pruned to eliminate duplicates Z: 11 17.720 1.933 0.502 0.776 1.000 0.600 CB 1.512 11 residues pruned to eliminate duplicates Z: 50 44.645 2.127 1.087 0.630 0.918 0.714 CB 1.384 50 residues pruned to eliminate duplicates Z: 14 23.971 1.923 0.916 0.903 1.000 0.846 CB 1.286 14 residues pruned to eliminate duplicates Z: 14 13.371 1.727 0.442 0.792 0.923 0.692 CB 1.248 14 residues pruned to eliminate duplicates Z: 11 15.728 2.008 0.478 0.758 1.000 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 54 45.904 2.100 0.874 0.686 0.943 0.774 CB 1.432 54 residues pruned to eliminate duplicates Z: 20 27.961 2.133 0.896 0.889 0.842 0.579 CB 1.356 20 residues pruned to eliminate duplicates Z: 14 17.071 1.954 0.702 0.547 0.923 0.615 CA 1.474 14 residues pruned to eliminate duplicates Z: 10 16.175 1.865 0.633 0.863 1.000 0.444 CB 1.298 10 residues pruned to eliminate duplicates Z: 19 36.389 2.031 1.295 0.852 1.000 0.722 CB 1.361 19 residues pruned to eliminate duplicates Z: 16 42.279 2.169 1.312 0.945 1.000 1.000 CB 1.506 16 residues pruned to eliminate duplicates Z: 53 54.709 2.143 0.966 0.720 0.981 0.577 CB 1.505 53 residues pruned to eliminate duplicates Z: 17 31.734 2.100 1.140 0.892 0.938 0.312 CB 1.353 17 residues pruned to eliminate duplicates Z: 27 40.281 2.113 0.964 0.873 0.923 0.500 CB 1.502 27 residues pruned to eliminate duplicates Z: 15 25.771 1.960 0.838 0.941 1.000 0.571 CB 1.326 15 residues pruned to eliminate duplicates Z: 17 38.989 2.192 1.007 0.940 1.000 1.000 CB 1.539 17 residues pruned to eliminate duplicates Z: 9 9.834 1.855 0.279 0.585 0.875 0.750 O 1.544 Z: 16 21.585 1.833 0.961 0.949 1.000 0.867 CB 1.070 16 residues pruned to eliminate duplicates Z: 81 64.202 2.146 1.001 0.713 0.950 0.713 CB 1.450 81 residues pruned to eliminate duplicates Z: 29 40.502 2.036 0.988 0.888 1.000 0.714 CB 1.362 29 residues pruned to eliminate duplicates Z: 10 12.850 2.039 0.190 0.736 1.000 0.778 CB 1.429 10 residues pruned to eliminate duplicates Z: 54 50.936 2.111 0.953 0.614 0.981 0.736 CB 1.552 54 residues pruned to eliminate duplicates Z: 20 23.049 1.959 0.952 0.558 1.000 0.684 CB 1.307 20 residues pruned to eliminate duplicates Z: 26 26.687 1.981 0.644 0.871 0.920 0.560 CB 1.299 26 residues pruned to eliminate duplicates Z: 17 34.337 2.068 1.087 0.870 0.938 0.875 CB 1.549 17 residues pruned to eliminate duplicates Z: 26 25.740 1.887 0.830 0.893 0.960 0.720 CB 1.115 26 residues pruned to eliminate duplicates Z: 51 44.248 2.105 0.941 0.670 0.940 0.700 CB 1.393 51 residues pruned to eliminate duplicates Z: 24 40.475 2.068 1.135 0.808 1.000 0.913 CB 1.462 24 residues pruned to eliminate duplicates Z: 48 36.199 2.035 0.748 0.717 0.915 0.596 CB 1.333 88 residues pruned to eliminate duplicates Z: 18 37.382 2.151 1.275 0.929 0.941 0.765 CB 1.378 18 residues pruned to eliminate duplicates Z: 26 37.380 2.030 1.126 0.773 0.960 0.840 CB 1.417 26 residues pruned to eliminate duplicates Z: 19 21.936 1.918 0.742 0.870 0.889 0.444 CB 1.271 Z: 15 21.319 1.886 0.746 0.916 1.000 0.786 CB 1.222 15 residues pruned to eliminate duplicates Z: 40 54.486 2.159 1.190 0.807 0.923 0.769 CB 1.529 40 residues pruned to eliminate duplicates Z: 26 30.285 1.909 0.871 0.886 0.960 0.480 CB 1.275 19 residues pruned to eliminate duplicates Z: 6 4.190 1.679 0.687 0.294 0.600 0.400 CB 1.388 6 residues pruned to eliminate duplicates Z: 19 26.890 2.030 0.795 0.890 0.944 0.778 CB 1.325 19 residues pruned to eliminate duplicates Z: 39 37.454 2.028 0.736 0.775 0.974 0.684 CB 1.390 25 residues pruned to eliminate duplicates Z: 12 14.462 1.915 0.263 0.804 0.909 0.727 CA 1.520 12 residues pruned to eliminate duplicates Z: 40 32.178 1.943 1.009 0.538 0.923 0.564 CB 1.377 146 residues pruned to eliminate duplicates Z: 15 21.930 1.895 0.865 0.944 1.000 0.857 CB 1.148 15 residues pruned to eliminate duplicates Z: 17 10.615 1.787 1.022 0.296 0.812 0.562 CB 1.135 17 residues pruned to eliminate duplicates Z: 27 40.351 2.168 0.942 0.909 0.962 0.615 CB 1.388 27 residues pruned to eliminate duplicates Z: 39 42.820 2.048 0.915 0.823 1.000 0.868 CB 1.338 40 residues pruned to eliminate duplicates Z: 28 34.402 2.033 0.941 0.901 0.889 0.815 CB 1.347 28 residues pruned to eliminate duplicates Z: 55 46.840 2.114 0.936 0.661 0.907 0.630 CB 1.479 Z: 9 7.925 1.722 0.620 0.487 0.750 0.625 CA 1.357 9 residues pruned to eliminate duplicates Z: 15 22.200 1.900 0.701 0.947 1.000 0.929 CB 1.268 15 residues pruned to eliminate duplicates Z: 19 21.089 1.905 0.603 0.849 0.889 0.667 CB 1.358 19 residues pruned to eliminate duplicates Z: 27 37.209 2.096 0.707 0.930 1.000 0.654 CB 1.426 27 residues pruned to eliminate duplicates Z: 16 18.598 1.805 0.603 0.891 1.000 0.867 CB 1.193 16 residues pruned to eliminate duplicates Z: 6 2.685 1.481 0.594 0.299 0.600 0.600 CB 1.061 Z: 26 29.980 1.975 0.810 0.911 0.920 0.880 CB 1.292 26 residues pruned to eliminate duplicates Z: 9 13.524 1.839 0.601 0.783 1.000 0.375 CB 1.266 Z: 27 38.144 2.112 0.825 0.907 1.000 0.538 CB 1.379 27 residues pruned to eliminate duplicates Z: 36 19.999 1.861 0.809 0.449 0.886 0.514 CB 1.195 36 residues pruned to eliminate duplicates Z: 11 14.965 1.979 0.504 0.830 1.000 0.800 CB 1.196 9 residues pruned to eliminate duplicates Z: 27 33.592 2.068 0.933 0.887 0.923 0.692 CB 1.286 27 residues pruned to eliminate duplicates Z: 20 15.513 1.797 0.755 0.511 0.842 0.632 CB 1.326 36 residues pruned to eliminate duplicates Z: 21 17.547 1.945 0.748 0.711 0.850 0.700 CB 1.121 21 residues pruned to eliminate duplicates Z: 16 13.512 1.941 0.732 0.488 0.800 0.333 CB 1.313 16 residues pruned to eliminate duplicates Z: 26 28.193 1.990 0.669 0.876 0.960 0.680 CB 1.285 26 residues pruned to eliminate duplicates Z: 27 21.894 1.957 0.591 0.569 0.962 0.692 CB 1.342 11 residues pruned to eliminate duplicates Z: 16 5.613 1.644 0.213 0.464 0.667 0.467 CB 1.131 Z: 7 4.655 1.701 0.133 0.749 1.000 0.833 CB 0.789 Z: 55 52.146 2.109 0.977 0.669 0.981 0.704 CB 1.483 55 residues pruned to eliminate duplicates Z: 27 38.406 2.098 0.836 0.917 0.962 0.769 CB 1.435 27 residues pruned to eliminate duplicates Z: 45 42.168 2.028 0.907 0.669 0.932 0.750 CB 1.509 18 residues pruned to eliminate duplicates Z: 12 14.679 1.940 0.340 0.748 0.909 0.455 CB 1.501 12 residues pruned to eliminate duplicates Z: 54 49.333 2.046 1.061 0.656 0.962 0.755 CB 1.445 54 residues pruned to eliminate duplicates Z: 42 50.348 2.107 1.008 0.781 0.951 0.756 CB 1.526 41 residues pruned to eliminate duplicates Z: 42 48.964 2.145 1.136 0.650 0.951 0.707 CB 1.526 42 residues pruned to eliminate duplicates Z: 17 25.825 2.074 1.083 0.642 0.938 0.812 CB 1.395 17 residues pruned to eliminate duplicates Z: 7 4.195 1.537 0.557 0.372 0.667 0.500 CA 1.230 7 residues pruned to eliminate duplicates Z: 16 16.770 2.046 0.731 0.468 0.867 0.667 CB 1.458 16 residues pruned to eliminate duplicates Z: 53 56.444 2.133 1.057 0.729 0.942 0.654 CB 1.541 56 residues pruned to eliminate duplicates Z: 17 9.153 1.793 0.814 0.278 0.875 0.500 CB 1.033 17 residues pruned to eliminate duplicates Z: 11 20.621 1.952 0.991 0.888 1.000 0.900 CB 1.209 11 residues pruned to eliminate duplicates Z: 15 25.453 1.901 1.197 0.944 1.000 0.643 CB 1.128 15 residues pruned to eliminate duplicates Z: 26 48.264 2.202 0.996 0.907 1.000 0.920 CB 1.561 26 residues pruned to eliminate duplicates Z: 15 10.182 1.865 0.405 0.430 0.929 0.500 CB 1.203 12 residues pruned to eliminate duplicates Z: 27 35.982 2.107 0.703 0.913 1.000 0.692 CB 1.392 27 residues pruned to eliminate duplicates Z: 29 22.958 1.912 0.657 0.536 1.000 0.679 CB 1.321 29 residues pruned to eliminate duplicates Z: 26 23.257 1.975 0.679 0.564 0.960 0.640 CB 1.374 26 residues pruned to eliminate duplicates Z: 27 37.008 2.095 0.702 0.910 1.000 0.615 CB 1.443 27 residues pruned to eliminate duplicates Z: 12 15.475 2.035 0.736 0.587 0.818 0.545 CB 1.486 12 residues pruned to eliminate duplicates Z: 19 32.438 1.920 1.133 0.901 0.944 0.833 CB 1.411 19 residues pruned to eliminate duplicates Z: 11 25.560 2.051 0.956 0.712 1.000 0.800 CB 1.662 11 residues pruned to eliminate duplicates Z: 14 12.082 1.763 0.743 0.510 0.846 0.615 CB 1.276 14 residues pruned to eliminate duplicates Z: 27 38.514 2.149 0.670 0.882 0.962 0.731 CB 1.585 27 residues pruned to eliminate duplicates Z: 26 44.220 2.159 1.036 0.898 0.960 0.680 CB 1.499 26 residues pruned to eliminate duplicates Z: 12 16.684 1.949 0.518 0.801 0.909 0.636 CB 1.437 12 residues pruned to eliminate duplicates Z: 9 6.664 1.645 0.098 0.666 0.875 0.875 CB 1.278 Z: 9 8.612 1.746 0.430 0.548 0.875 0.500 N 1.330 9 residues pruned to eliminate duplicates Z: 31 47.509 2.156 1.115 0.792 1.000 0.967 CB 1.472 31 residues pruned to eliminate duplicates Z: 12 22.865 1.893 0.759 0.833 1.000 0.727 CA 1.553 12 residues pruned to eliminate duplicates Z: 27 32.239 2.060 0.750 0.873 0.962 0.692 CB 1.329 27 residues pruned to eliminate duplicates Z: 13 19.611 1.711 0.792 0.828 1.000 0.833 CB 1.390 13 residues pruned to eliminate duplicates Z: 9 7.375 1.620 0.936 0.514 0.750 0.750 N 1.093 Z: 55 37.739 2.065 0.658 0.680 0.926 0.630 CB 1.373 55 residues pruned to eliminate duplicates Z: 42 46.881 2.131 0.964 0.756 0.927 0.756 CB 1.502 42 residues pruned to eliminate duplicates Z: 28 32.159 2.076 0.695 0.901 0.963 0.704 CB 1.304 28 residues pruned to eliminate duplicates Z: 14 14.832 1.848 0.759 0.417 0.923 0.538 CB 1.495 14 residues pruned to eliminate duplicates Z: 58 54.418 2.157 1.106 0.647 0.930 0.596 CB 1.488 58 residues pruned to eliminate duplicates 6 1.686 1.388 0.301 0.367 1.000 0.400 CB 0.482 ? Z: 10 15.091 2.053 0.395 0.771 1.000 0.667 CB 1.382 10 residues pruned to eliminate duplicates Z: 54 52.207 2.141 1.064 0.716 0.906 0.698 CB 1.473 54 residues pruned to eliminate duplicates Z: 7 4.222 1.644 -0.081 0.545 0.833 0.500 N 1.310 7 residues pruned to eliminate duplicates Z: 13 21.856 1.920 0.807 0.927 1.000 0.917 CB 1.274 13 residues pruned to eliminate duplicates Z: 15 17.760 1.855 0.477 0.931 1.000 1.000 CB 1.211 15 residues pruned to eliminate duplicates Z: 26 45.136 2.182 0.889 0.910 1.000 0.720 CB 1.553 26 residues pruned to eliminate duplicates Z: 27 38.211 2.150 0.725 0.902 0.962 0.615 CB 1.498 27 residues pruned to eliminate duplicates Z: 14 14.952 1.887 0.616 0.493 0.923 0.615 CB 1.484 14 residues pruned to eliminate duplicates Z: 7 2.719 1.354 0.233 0.405 0.833 0.833 C 0.882 6 residues pruned to eliminate duplicates Z: 14 23.717 2.020 1.303 0.758 0.846 0.769 CB 1.329 14 residues pruned to eliminate duplicates Z: 20 21.013 1.789 0.593 0.887 1.000 0.737 CB 1.220 20 residues pruned to eliminate duplicates Z: 10 11.926 2.016 0.226 0.753 1.000 0.778 CB 1.284 10 residues pruned to eliminate duplicates Z: 27 34.379 2.126 0.729 0.875 0.962 0.885 CB 1.388 27 residues pruned to eliminate duplicates Z: 8 4.796 1.488 0.607 0.276 0.857 0.286 N 1.140 Z: 27 40.705 2.144 0.807 0.919 1.000 0.577 CB 1.453 27 residues pruned to eliminate duplicates Z: 28 24.002 1.952 0.747 0.550 0.926 0.593 CB 1.393 29 residues pruned to eliminate duplicates Z: 11 14.805 1.703 1.167 0.653 1.000 0.900 CB 1.101 Z: 15 25.358 1.925 0.846 0.907 1.000 0.929 CB 1.355 15 residues pruned to eliminate duplicates Z: 9 17.923 2.031 0.903 0.902 0.875 0.875 CB 1.337 9 residues pruned to eliminate duplicates Z: 19 19.117 1.964 0.764 0.489 0.944 0.389 CB 1.393 19 residues pruned to eliminate duplicates Z: 11 8.233 1.806 0.703 0.365 0.900 0.400 CA 1.087 11 residues pruned to eliminate duplicates Z: 17 20.674 1.794 0.626 0.942 1.000 0.938 CB 1.228 17 residues pruned to eliminate duplicates Z: 16 33.739 2.244 0.926 0.946 0.933 0.933 CB 1.494 16 residues pruned to eliminate duplicates Z: 6 7.143 1.802 0.307 0.399 1.000 0.800 CB 1.508 6 residues pruned to eliminate duplicates Z: 27 41.674 2.135 0.903 0.905 1.000 0.654 CB 1.431 27 residues pruned to eliminate duplicates Z: 29 26.358 1.999 0.484 0.847 0.929 0.643 CB 1.342 29 residues pruned to eliminate duplicates Z: 17 34.801 2.106 1.051 0.917 1.000 0.562 CB 1.422 17 residues pruned to eliminate duplicates Z: 8 5.418 1.567 0.609 0.636 0.714 0.429 CB 1.001 8 residues pruned to eliminate duplicates Z: 31 47.067 2.145 1.083 0.782 1.000 0.767 CB 1.500 31 residues pruned to eliminate duplicates Z: 27 25.898 1.885 0.679 0.878 0.962 0.538 CB 1.211 27 residues pruned to eliminate duplicates Z: 26 26.462 1.963 0.588 0.904 1.000 0.520 CB 1.209 26 residues pruned to eliminate duplicates Z: 39 33.347 2.030 0.631 0.797 0.974 0.658 CB 1.293 39 residues pruned to eliminate duplicates Z: 55 49.599 2.106 0.934 0.646 0.981 0.778 CB 1.474 55 residues pruned to eliminate duplicates Z: 49 39.485 2.071 0.888 0.614 0.896 0.688 CB 1.460 49 residues pruned to eliminate duplicates Z: 11 18.096 1.986 0.438 0.788 1.000 0.800 CB 1.555 11 residues pruned to eliminate duplicates Z: 10 6.555 1.522 0.755 0.401 0.889 0.667 CB 1.022 Z: 38 47.505 2.131 0.969 0.739 0.973 0.865 CB 1.544 38 residues pruned to eliminate duplicates Z: 38 56.466 2.185 1.099 0.816 0.973 0.865 CB 1.580 38 residues pruned to eliminate duplicates Z: 26 34.633 2.144 0.621 0.896 1.000 0.800 CB 1.427 26 residues pruned to eliminate duplicates Z: 25 25.090 1.903 0.593 0.898 1.000 0.875 CB 1.209 25 residues pruned to eliminate duplicates Z: 9 9.463 1.805 0.648 0.473 1.000 0.875 N 1.156 Z: 10 11.038 1.723 0.855 0.570 0.889 0.667 CB 1.211 13 residues pruned to eliminate duplicates Z: 9 12.010 1.775 0.923 0.555 1.000 0.875 N 1.180 Z: 6 3.383 1.819 -0.387 0.740 1.000 0.800 CB 1.095 Z: 12 8.703 1.711 0.837 0.324 0.818 0.545 CB 1.238 12 residues pruned to eliminate duplicates Z: 18 33.410 2.035 1.239 0.895 1.000 0.647 CB 1.275 18 residues pruned to eliminate duplicates Z: 42 56.070 2.124 1.176 0.785 0.976 0.732 CB 1.511 42 residues pruned to eliminate duplicates Z: 26 46.528 2.184 1.034 0.894 0.960 0.680 CB 1.565 26 residues pruned to eliminate duplicates Z: 18 21.817 2.018 0.762 0.869 0.882 0.647 CB 1.232 18 residues pruned to eliminate duplicates Z: 12 14.234 1.838 0.385 0.765 0.909 0.273 CB 1.465 12 residues pruned to eliminate duplicates Z: 25 28.195 1.936 0.717 0.878 1.000 0.583 CB 1.256 25 residues pruned to eliminate duplicates Z: 9 5.589 1.734 0.034 0.674 1.000 0.750 CB 0.939 Z: 27 41.080 2.137 0.849 0.907 0.962 0.731 CB 1.508 27 residues pruned to eliminate duplicates Z: 24 29.686 1.927 1.008 0.890 0.957 0.565 CB 1.203 24 residues pruned to eliminate duplicates Z: 26 31.349 1.992 0.886 0.704 1.000 0.880 CB 1.385 26 residues pruned to eliminate duplicates Z: 8 3.648 1.423 0.297 0.367 0.857 0.429 O 1.005 Z: 26 28.588 1.894 0.871 0.898 0.960 0.680 CB 1.202 26 residues pruned to eliminate duplicates Z: 8 5.015 1.741 -0.160 0.701 1.000 0.857 CB 1.080 7 residues pruned to eliminate duplicates Z: 15 7.422 1.766 0.113 0.483 0.786 0.500 CB 1.305 7 residues pruned to eliminate duplicates Z: 16 12.632 1.888 0.820 0.443 0.733 0.400 N 1.373 16 residues pruned to eliminate duplicates Z: 12 17.707 1.930 0.686 0.785 0.909 0.455 CB 1.404 12 residues pruned to eliminate duplicates Z: 16 39.200 2.156 1.222 0.935 1.000 0.733 CB 1.473 16 residues pruned to eliminate duplicates Z: 51 39.121 2.054 0.673 0.722 0.980 0.680 CB 1.344 90 residues pruned to eliminate duplicates Z: 24 24.866 1.924 0.690 0.884 0.913 0.609 CB 1.262 Z: 17 36.355 2.185 1.086 0.942 0.938 0.812 CB 1.476 17 residues pruned to eliminate duplicates Z: 28 40.043 2.031 1.078 0.893 0.963 0.815 CB 1.361 28 residues pruned to eliminate duplicates Z: 19 22.318 2.099 0.520 0.880 0.944 0.611 CB 1.265 19 residues pruned to eliminate duplicates Z: 15 26.402 1.915 1.108 0.921 1.000 0.286 CB 1.231 15 residues pruned to eliminate duplicates Z: 14 27.006 1.937 1.075 0.940 1.000 0.462 CB 1.294 14 residues pruned to eliminate duplicates Z: 18 25.502 1.998 0.945 0.869 0.941 0.824 CB 1.235 18 residues pruned to eliminate duplicates Z: 9 7.833 1.895 0.533 0.516 0.875 0.750 CB 1.072 Z: 8 13.473 1.940 0.787 0.724 1.000 0.714 N 1.200 Z: 85 68.138 2.124 1.045 0.678 0.952 0.726 CB 1.526 85 residues pruned to eliminate duplicates Z: 17 19.768 1.783 0.726 0.953 1.000 0.875 CB 1.105 17 residues pruned to eliminate duplicates Z: 15 30.804 2.034 1.219 0.740 0.929 0.857 CB 1.584 15 residues pruned to eliminate duplicates Z: 15 23.316 1.886 0.853 0.905 1.000 0.786 CB 1.268 15 residues pruned to eliminate duplicates Z: 28 36.850 2.176 0.823 0.726 0.963 0.704 CB 1.515 28 residues pruned to eliminate duplicates Z: 20 29.286 2.127 0.540 0.891 1.000 0.789 CB 1.474 20 residues pruned to eliminate duplicates Z: 14 10.418 1.718 0.591 0.593 0.846 0.692 CB 1.143 6 residues pruned to eliminate duplicates Z: 10 16.476 2.007 0.773 0.856 0.889 0.444 CB 1.280 9 residues pruned to eliminate duplicates Z: 28 37.982 2.065 0.955 0.871 0.926 0.481 CB 1.426 28 residues pruned to eliminate duplicates Z: 17 19.024 1.755 0.828 0.930 1.000 0.875 CB 1.037 17 residues pruned to eliminate duplicates Z: 29 25.538 1.982 0.745 0.854 0.821 0.607 CB 1.255 29 residues pruned to eliminate duplicates Z: 15 24.414 1.901 0.792 0.929 1.000 1.000 CB 1.340 15 residues pruned to eliminate duplicates Z: 28 36.548 2.068 0.801 0.908 0.963 0.778 CB 1.393 28 residues pruned to eliminate duplicates Z: 14 25.533 1.941 1.029 0.946 1.000 0.769 CB 1.243 14 residues pruned to eliminate duplicates Z: 11 20.606 1.844 0.960 0.859 0.900 0.900 CA 1.474 11 residues pruned to eliminate duplicates Z: 25 31.334 1.962 0.778 0.921 1.000 0.625 CB 1.290 25 residues pruned to eliminate duplicates Z: 15 22.263 1.910 0.866 0.944 1.000 0.857 CB 1.156 15 residues pruned to eliminate duplicates Z: 26 27.499 2.143 0.597 0.892 0.800 0.680 CB 1.443 26 residues pruned to eliminate duplicates Z: 16 22.862 1.870 0.978 0.913 1.000 0.533 CB 1.129 16 residues pruned to eliminate duplicates Z: 7 3.723 1.706 -0.150 0.668 1.000 1.000 CB 0.898 3 residues pruned to eliminate duplicates Z: 82 68.951 2.167 1.025 0.715 0.951 0.654 CB 1.512 99 residues pruned to eliminate duplicates Z: 9 6.881 1.750 0.890 0.604 0.750 0.750 CB 0.888 Z: 11 36.720 2.248 1.491 0.824 1.000 0.900 CB 1.566 Z: 7 14.358 1.991 1.122 0.787 1.000 1.000 CB 1.078 8 residues pruned to eliminate duplicates Z: 6 6.887 1.550 1.017 0.497 0.800 0.600 CA 1.235 6 residues pruned to eliminate duplicates Z: 6 2.966 1.891 0.103 0.260 0.800 0.800 CA 1.046 6 residues pruned to eliminate duplicates Z: 27 43.759 2.135 1.198 0.699 1.000 0.692 CB 1.525 27 residues pruned to eliminate duplicates Z: 92 58.148 2.071 0.953 0.612 0.923 0.692 CB 1.468 145 residues pruned to eliminate duplicates Z: 16 32.015 2.173 0.866 0.945 1.000 0.667 CB 1.411 16 residues pruned to eliminate duplicates Z: 68 51.258 2.082 0.951 0.584 0.955 0.687 CB 1.489 14 residues pruned to eliminate duplicates Z: 11 11.635 2.035 0.071 0.761 1.000 0.500 CB 1.338 11 residues pruned to eliminate duplicates Z: 12 24.546 2.102 1.256 0.742 0.909 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 15 33.912 2.167 1.101 0.933 1.000 1.000 CB 1.390 15 residues pruned to eliminate duplicates Z: 9 5.693 1.663 0.287 0.613 0.875 0.625 CB 0.965 9 residues pruned to eliminate duplicates Z: 66 53.875 2.081 1.075 0.612 0.954 0.692 CB 1.459 66 residues pruned to eliminate duplicates Z: 8 7.983 1.981 0.694 0.612 0.857 0.571 CB 0.943 7 residues pruned to eliminate duplicates Z: 29 35.600 2.138 0.984 0.608 0.893 0.714 CB 1.604 29 residues pruned to eliminate duplicates Z: 52 51.199 2.167 0.849 0.725 0.961 0.686 CB 1.520 52 residues pruned to eliminate duplicates Z: 49 41.765 2.059 0.821 0.733 0.938 0.688 CB 1.391 49 residues pruned to eliminate duplicates Z: 29 29.692 2.000 0.584 0.860 0.964 0.750 CB 1.351 29 residues pruned to eliminate duplicates Z: 26 45.647 2.168 1.033 0.913 0.960 0.920 CB 1.527 26 residues pruned to eliminate duplicates Z: 26 40.301 2.163 0.918 0.907 0.920 0.720 CB 1.501 26 residues pruned to eliminate duplicates Z: 8 5.317 1.419 0.497 0.752 1.000 0.714 CB 0.755 Z: 11 8.999 1.648 0.248 0.917 1.000 1.000 CB 0.977 11 residues pruned to eliminate duplicates Z: 17 33.982 2.099 0.851 0.942 1.000 1.000 CB 1.515 17 residues pruned to eliminate duplicates Z: 14 26.980 1.960 0.897 0.943 1.000 1.000 CB 1.394 14 residues pruned to eliminate duplicates Z: 8 3.340 1.614 0.187 0.338 0.714 0.571 CB 1.101 8 residues pruned to eliminate duplicates Z: 36 37.153 2.083 1.063 0.567 0.914 0.686 CB 1.498 36 residues pruned to eliminate duplicates Z: 8 18.772 2.054 0.554 0.904 1.000 0.571 CB 1.583 8 residues pruned to eliminate duplicates Z: 14 8.314 1.602 0.576 0.355 0.846 0.769 CB 1.263 14 residues pruned to eliminate duplicates Z: 7 6.301 1.731 0.300 0.511 0.833 0.667 CA 1.357 Z: 48 52.021 2.129 1.117 0.647 0.979 0.787 CB 1.500 48 residues pruned to eliminate duplicates Z: 52 50.890 2.127 0.947 0.701 0.961 0.725 CB 1.491 52 residues pruned to eliminate duplicates Z: 24 30.186 1.971 0.728 0.912 1.000 0.696 CB 1.308 24 residues pruned to eliminate duplicates Z: 11 4.671 1.376 0.582 0.316 0.800 0.400 CB 1.039 13 residues pruned to eliminate duplicates Z: 13 9.923 1.766 0.661 0.429 0.833 0.667 CB 1.262 13 residues pruned to eliminate duplicates Z: 15 27.395 1.934 1.093 0.952 1.000 0.714 CB 1.246 15 residues pruned to eliminate duplicates Z: 14 17.240 1.845 0.335 0.940 1.000 1.000 CB 1.347 14 residues pruned to eliminate duplicates Z: 43 46.057 2.117 0.863 0.740 0.976 0.690 CB 1.488 43 residues pruned to eliminate duplicates Z: 16 22.562 1.835 0.671 0.919 1.000 0.933 CB 1.338 16 residues pruned to eliminate duplicates Z: 16 24.129 1.830 1.033 0.919 1.000 0.733 CB 1.180 16 residues pruned to eliminate duplicates Z: 31 46.542 2.131 1.044 0.739 1.000 0.833 CB 1.575 31 residues pruned to eliminate duplicates Z: 36 49.380 2.152 1.081 0.753 1.000 0.771 CB 1.488 36 residues pruned to eliminate duplicates Z: 13 4.220 1.439 0.490 0.400 0.750 0.500 CB 0.842 Z: 22 32.100 2.024 1.139 0.598 1.000 0.667 CB 1.473 22 residues pruned to eliminate duplicates Z: 27 51.972 2.146 1.297 0.792 0.962 0.923 CB 1.664 27 residues pruned to eliminate duplicates Z: 24 29.354 1.982 0.781 0.873 0.957 0.609 CB 1.321 24 residues pruned to eliminate duplicates Z: 48 35.424 2.070 0.902 0.498 0.851 0.660 CB 1.545 48 residues pruned to eliminate duplicates Z: 6 4.515 1.723 -0.298 0.769 1.000 0.800 N 1.316 6 residues pruned to eliminate duplicates Z: 16 22.708 1.899 0.886 0.917 1.000 0.933 CB 1.155 16 residues pruned to eliminate duplicates Z: 7 3.285 1.670 -0.045 0.589 1.000 1.000 CB 0.772 7 residues pruned to eliminate duplicates Z: 10 5.944 1.723 -0.041 0.764 0.889 0.667 CB 1.068 9 residues pruned to eliminate duplicates Z: 14 7.472 1.665 0.463 0.418 0.846 0.692 CB 1.095 15 residues pruned to eliminate duplicates Z: 13 7.104 1.690 0.285 0.367 0.917 0.500 CB 1.188 12 residues pruned to eliminate duplicates Z: 9 10.497 1.955 0.329 0.672 0.875 0.750 CB 1.392 9 residues pruned to eliminate duplicates Z: 11 20.683 1.880 0.932 0.851 1.000 0.900 CB 1.333 11 residues pruned to eliminate duplicates Z: 19 13.173 1.811 0.902 0.347 0.833 0.500 CB 1.277 40 residues pruned to eliminate duplicates Z: 47 42.925 2.125 0.847 0.757 0.913 0.609 CB 1.405 47 residues pruned to eliminate duplicates Z: 7 4.900 1.567 0.037 0.575 1.000 0.833 N 1.146 5 residues pruned to eliminate duplicates Z: 26 25.919 1.941 0.564 0.889 0.960 0.640 CB 1.280 25 residues pruned to eliminate duplicates Z: 18 32.268 1.968 1.236 0.861 0.941 0.765 CB 1.389 18 residues pruned to eliminate duplicates Z: 10 6.705 1.629 0.222 0.527 0.889 0.667 N 1.230 8 residues pruned to eliminate duplicates Z: 6 4.709 1.728 0.011 0.637 0.800 0.600 N 1.324 6 residues pruned to eliminate duplicates Z: 10 8.420 1.795 0.523 0.499 0.889 0.444 N 1.156 9 residues pruned to eliminate duplicates 400 residues left after pruning, divided into chains as follows: A: 221 B: 41 C: 64 D: 8 E: 13 F: 15 G: 38 CC for partial structure against native data = 38.86 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.436, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.499, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.587, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.591, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.600, Connect. = 0.788 for dens.mod. cycle 5 = 0.300, Contrast = 0.604, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.608, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.610, Connect. = 0.792 for dens.mod. cycle 8 = 0.300, Contrast = 0.613, Connect. = 0.793 for dens.mod. cycle 9 = 0.300, Contrast = 0.614, Connect. = 0.793 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2297 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 542 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 49 53.270 2.223 0.846 0.713 0.979 0.729 CB 1.578 B: 38 38.436 2.084 0.645 0.826 1.000 0.784 CB 1.390 C: 42 50.916 2.263 0.892 0.765 0.951 0.610 CB 1.543 D: 31 40.732 2.226 0.738 0.796 0.933 0.833 CB 1.589 31 residues pruned to eliminate duplicates E: 27 41.718 2.134 0.857 0.880 0.962 0.808 CB 1.555 F: 41 52.197 2.203 0.818 0.748 0.975 0.650 CB 1.693 41 residues pruned to eliminate duplicates G: 45 39.476 2.187 0.582 0.711 0.955 0.614 CB 1.489 45 residues pruned to eliminate duplicates H: 49 50.796 2.145 0.893 0.710 0.958 0.625 CB 1.558 35 residues pruned to eliminate duplicates I: 18 43.005 2.255 1.073 0.920 1.000 0.941 CB 1.571 J: 24 22.207 2.134 0.913 0.422 0.870 0.652 CB 1.415 K: 16 36.680 2.363 0.828 0.931 0.933 0.600 CB 1.641 16 residues pruned to eliminate duplicates L: 48 51.794 2.196 0.898 0.681 0.936 0.660 CB 1.639 48 residues pruned to eliminate duplicates M: 11 8.997 1.935 0.876 0.313 0.800 0.500 CB 1.206 11 residues pruned to eliminate duplicates N: 30 43.174 2.146 0.945 0.688 0.966 0.793 CB 1.675 O: 17 17.969 1.975 0.822 0.448 0.938 0.500 CB 1.404 P: 53 49.975 2.168 0.941 0.610 0.962 0.615 CB 1.543 30 residues pruned to eliminate duplicates Q: 24 25.125 2.103 0.888 0.574 0.913 0.609 CB 1.345 13 residues pruned to eliminate duplicates R: 29 53.071 2.188 1.116 0.755 1.000 0.857 CB 1.726 28 residues pruned to eliminate duplicates S: 34 22.998 1.977 0.545 0.605 0.909 0.727 CB 1.305 31 residues pruned to eliminate duplicates T: 17 31.831 2.089 1.067 0.929 0.938 0.750 CB 1.375 17 residues pruned to eliminate duplicates U: 26 32.514 1.963 0.953 0.738 0.960 0.840 CB 1.427 18 residues pruned to eliminate duplicates V: 68 57.813 2.153 0.916 0.658 0.925 0.642 CB 1.598 49 residues pruned to eliminate duplicates W: 17 40.648 2.189 1.424 0.937 0.938 0.875 CB 1.421 17 residues pruned to eliminate duplicates X: 18 34.379 2.105 1.218 0.875 1.000 0.706 CB 1.299 18 residues pruned to eliminate duplicates Y: 17 41.527 2.241 1.054 0.906 0.938 0.875 CB 1.711 17 residues pruned to eliminate duplicates Z: 41 39.223 2.101 0.805 0.618 0.950 0.675 CB 1.539 27 residues pruned to eliminate duplicates Z: 40 50.886 2.279 0.754 0.811 0.949 0.641 CB 1.640 41 residues pruned to eliminate duplicates Z: 30 37.454 2.047 1.031 0.699 0.966 0.759 CB 1.445 29 residues pruned to eliminate duplicates Z: 26 37.539 2.273 0.518 0.897 1.000 0.600 CB 1.557 27 residues pruned to eliminate duplicates Z: 40 64.666 2.207 1.093 0.810 1.000 0.795 CB 1.710 40 residues pruned to eliminate duplicates Z: 17 36.387 2.274 0.938 0.930 0.938 0.625 CB 1.539 17 residues pruned to eliminate duplicates Z: 74 49.813 2.074 0.872 0.590 0.945 0.712 CB 1.458 96 residues pruned to eliminate duplicates Z: 19 33.756 2.143 0.992 0.877 0.889 0.778 CB 1.523 19 residues pruned to eliminate duplicates Z: 29 53.315 2.249 1.247 0.723 0.964 0.857 CB 1.691 30 residues pruned to eliminate duplicates Z: 53 53.023 2.144 0.917 0.724 0.942 0.750 CB 1.551 52 residues pruned to eliminate duplicates Z: 17 33.355 2.129 1.050 0.931 1.000 0.938 CB 1.335 17 residues pruned to eliminate duplicates Z: 11 16.473 2.165 0.664 0.602 0.800 0.500 CB 1.640 Z: 26 47.527 2.205 0.898 0.924 0.960 0.680 CB 1.661 26 residues pruned to eliminate duplicates Z: 54 43.940 2.120 0.965 0.626 0.906 0.566 CB 1.421 53 residues pruned to eliminate duplicates Z: 19 32.553 2.132 0.814 0.919 0.944 0.778 CB 1.480 19 residues pruned to eliminate duplicates Z: 27 40.724 2.120 0.757 0.899 0.962 0.962 CB 1.594 27 residues pruned to eliminate duplicates Z: 27 35.331 2.239 0.525 0.886 0.962 0.654 CB 1.522 27 residues pruned to eliminate duplicates Z: 24 33.672 2.210 0.884 0.874 0.913 0.609 CB 1.344 24 residues pruned to eliminate duplicates Z: 20 28.228 1.938 0.887 0.884 0.947 0.947 CB 1.351 20 residues pruned to eliminate duplicates Z: 27 49.635 2.228 1.127 0.724 0.962 0.846 CB 1.745 27 residues pruned to eliminate duplicates Z: 100 67.578 2.106 0.943 0.641 0.929 0.657 CB 1.565 99 residues pruned to eliminate duplicates Z: 26 45.611 2.213 0.820 0.909 0.960 0.680 CB 1.675 26 residues pruned to eliminate duplicates Z: 48 58.330 2.261 0.855 0.746 0.957 0.766 CB 1.701 48 residues pruned to eliminate duplicates Z: 18 37.190 2.244 0.887 0.887 0.941 0.824 CB 1.632 18 residues pruned to eliminate duplicates Z: 25 32.168 2.262 0.565 0.925 0.875 0.500 CB 1.488 25 residues pruned to eliminate duplicates Z: 40 34.331 1.978 0.942 0.622 0.949 0.795 CB 1.345 36 residues pruned to eliminate duplicates Z: 40 59.039 2.210 1.047 0.808 0.949 0.718 CB 1.684 41 residues pruned to eliminate duplicates Z: 12 21.320 1.971 0.665 0.797 1.000 0.727 CB 1.510 12 residues pruned to eliminate duplicates Z: 83 63.942 2.190 0.941 0.703 0.939 0.683 CB 1.470 123 residues pruned to eliminate duplicates Z: 12 20.062 1.957 0.987 0.708 0.909 0.636 CB 1.417 Z: 20 37.303 2.159 1.058 0.907 0.895 0.684 CB 1.530 20 residues pruned to eliminate duplicates Z: 20 28.742 2.034 0.512 0.900 1.000 0.842 CB 1.532 20 residues pruned to eliminate duplicates Z: 40 59.814 2.234 0.999 0.817 0.949 0.769 CB 1.715 40 residues pruned to eliminate duplicates Z: 27 24.514 2.022 0.863 0.558 0.962 0.692 CB 1.255 27 residues pruned to eliminate duplicates Z: 26 48.714 2.213 0.927 0.906 0.960 0.640 CB 1.692 26 residues pruned to eliminate duplicates Z: 19 36.560 2.173 0.827 0.868 0.944 0.722 CB 1.680 19 residues pruned to eliminate duplicates Z: 27 38.605 2.238 0.673 0.899 0.962 0.692 CB 1.503 12 residues pruned to eliminate duplicates Z: 11 13.733 2.060 0.657 0.485 1.000 0.900 CB 1.292 Z: 46 53.438 2.145 1.056 0.710 0.911 0.756 CB 1.639 46 residues pruned to eliminate duplicates Z: 19 41.941 2.188 1.058 0.907 1.000 0.667 CB 1.561 19 residues pruned to eliminate duplicates Z: 26 34.286 1.962 1.005 0.800 1.000 0.840 CB 1.341 26 residues pruned to eliminate duplicates Z: 28 38.137 2.132 0.765 0.858 0.963 0.778 CB 1.492 28 residues pruned to eliminate duplicates Z: 26 47.878 2.217 1.019 0.885 0.960 0.800 CB 1.609 26 residues pruned to eliminate duplicates Z: 17 33.673 2.142 1.043 0.892 0.875 0.750 CB 1.579 17 residues pruned to eliminate duplicates Z: 9 13.754 2.105 0.159 0.820 0.875 0.750 CA 1.725 Z: 27 39.414 2.167 0.709 0.863 0.923 0.731 CA 1.658 27 residues pruned to eliminate duplicates Z: 26 41.362 2.286 0.804 0.903 0.920 0.520 CB 1.554 27 residues pruned to eliminate duplicates Z: 27 44.759 2.121 0.809 0.905 1.000 0.885 CB 1.629 27 residues pruned to eliminate duplicates Z: 12 17.211 1.954 0.734 0.840 0.909 0.636 CB 1.257 12 residues pruned to eliminate duplicates Z: 56 51.766 2.112 1.019 0.645 0.945 0.745 CB 1.512 56 residues pruned to eliminate duplicates Z: 28 36.207 2.143 0.547 0.877 0.963 0.778 CB 1.586 27 residues pruned to eliminate duplicates Z: 16 37.876 2.238 0.934 0.938 1.000 0.800 CB 1.572 16 residues pruned to eliminate duplicates Z: 15 23.079 1.935 0.588 0.920 1.000 0.786 CB 1.413 15 residues pruned to eliminate duplicates Z: 26 45.216 2.211 0.905 0.882 0.960 0.880 CB 1.619 26 residues pruned to eliminate duplicates Z: 42 41.316 2.233 0.691 0.762 0.854 0.683 CB 1.586 28 residues pruned to eliminate duplicates Z: 13 18.149 2.111 0.831 0.530 1.000 0.583 CB 1.316 13 residues pruned to eliminate duplicates Z: 10 19.583 2.092 0.387 0.917 1.000 0.444 CA 1.587 10 residues pruned to eliminate duplicates Z: 26 42.712 2.261 0.612 0.901 1.000 0.720 CB 1.673 26 residues pruned to eliminate duplicates Z: 13 14.390 2.058 0.817 0.518 0.833 0.667 CB 1.310 13 residues pruned to eliminate duplicates Z: 26 41.965 2.265 0.676 0.926 1.000 0.680 CB 1.551 27 residues pruned to eliminate duplicates Z: 17 16.996 1.890 1.022 0.482 0.938 0.562 CB 1.208 16 residues pruned to eliminate duplicates Z: 20 30.358 2.056 0.854 0.850 0.895 0.789 CB 1.513 20 residues pruned to eliminate duplicates Z: 8 10.267 2.140 0.462 0.443 0.714 0.571 CB 1.841 8 residues pruned to eliminate duplicates Z: 17 40.564 2.173 1.145 0.884 1.000 0.812 CB 1.572 17 residues pruned to eliminate duplicates Z: 13 27.028 2.110 1.025 0.642 1.000 0.750 CB 1.598 13 residues pruned to eliminate duplicates Z: 27 37.511 2.192 0.723 0.900 0.923 0.615 CB 1.508 27 residues pruned to eliminate duplicates Z: 18 24.119 2.057 0.779 0.667 1.000 0.765 CB 1.370 18 residues pruned to eliminate duplicates Z: 27 25.802 2.077 1.016 0.512 0.885 0.577 CB 1.349 27 residues pruned to eliminate duplicates Z: 26 35.757 2.204 0.615 0.925 0.960 0.600 CB 1.469 26 residues pruned to eliminate duplicates Z: 66 64.474 2.144 1.015 0.778 0.954 0.800 CB 1.519 67 residues pruned to eliminate duplicates Z: 42 53.977 2.177 0.943 0.802 0.951 0.707 CB 1.609 42 residues pruned to eliminate duplicates Z: 28 37.382 2.153 0.638 0.871 0.963 0.667 CB 1.545 28 residues pruned to eliminate duplicates Z: 15 17.894 2.003 0.698 0.578 1.000 0.643 CB 1.304 15 residues pruned to eliminate duplicates Z: 18 43.774 2.258 1.228 0.939 1.000 0.706 CB 1.467 18 residues pruned to eliminate duplicates Z: 20 15.968 1.860 0.560 0.471 0.947 0.684 CB 1.373 Z: 14 35.487 2.148 1.411 0.783 0.923 0.846 CA 1.605 14 residues pruned to eliminate duplicates Z: 18 32.545 2.124 0.758 0.858 0.941 0.824 CB 1.654 18 residues pruned to eliminate duplicates Z: 17 19.385 1.810 0.610 0.917 1.000 0.812 CB 1.174 17 residues pruned to eliminate duplicates Z: 29 34.169 2.079 0.658 0.860 0.964 0.607 CB 1.428 29 residues pruned to eliminate duplicates Z: 31 42.591 2.211 1.029 0.665 0.967 0.833 CB 1.539 31 residues pruned to eliminate duplicates Z: 13 13.485 2.137 0.705 0.428 0.833 0.417 CB 1.382 13 residues pruned to eliminate duplicates Z: 10 15.121 2.105 0.387 0.770 0.889 0.667 CB 1.529 9 residues pruned to eliminate duplicates Z: 28 31.323 2.133 0.587 0.889 0.926 0.407 CB 1.385 28 residues pruned to eliminate duplicates Z: 54 57.913 2.221 0.875 0.733 0.962 0.642 CB 1.610 54 residues pruned to eliminate duplicates Z: 27 31.166 2.166 0.564 0.910 0.885 0.500 CB 1.447 27 residues pruned to eliminate duplicates Z: 17 43.732 2.226 1.273 0.904 0.938 0.688 CB 1.642 17 residues pruned to eliminate duplicates Z: 29 48.830 2.206 1.074 0.695 0.964 0.821 CB 1.750 29 residues pruned to eliminate duplicates Z: 28 43.246 2.116 0.835 0.923 0.963 0.815 CB 1.565 28 residues pruned to eliminate duplicates Z: 14 13.857 1.858 0.775 0.456 0.846 0.538 CB 1.440 11 residues pruned to eliminate duplicates Z: 13 21.677 2.096 0.820 0.602 1.000 0.833 CB 1.488 14 residues pruned to eliminate duplicates Z: 17 31.589 2.134 0.832 0.934 1.000 0.875 CB 1.409 17 residues pruned to eliminate duplicates Z: 14 15.842 1.712 0.464 0.927 1.000 0.923 CB 1.229 14 residues pruned to eliminate duplicates Z: 28 41.094 2.130 0.804 0.909 1.000 0.852 CB 1.461 28 residues pruned to eliminate duplicates Z: 27 40.181 2.198 0.825 0.869 0.923 0.654 CB 1.555 27 residues pruned to eliminate duplicates Z: 27 49.987 2.123 1.162 0.899 0.962 0.692 CB 1.588 27 residues pruned to eliminate duplicates Z: 53 53.826 2.201 0.834 0.735 0.942 0.673 CB 1.589 53 residues pruned to eliminate duplicates Z: 39 34.084 2.050 0.659 0.807 0.974 0.711 CB 1.277 39 residues pruned to eliminate duplicates Z: 28 40.349 2.059 1.003 0.740 1.000 0.852 CB 1.518 28 residues pruned to eliminate duplicates Z: 15 10.163 2.027 0.533 0.451 0.786 0.571 CB 1.170 20 residues pruned to eliminate duplicates Z: 28 45.406 2.099 0.879 0.905 1.000 0.667 CB 1.576 28 residues pruned to eliminate duplicates Z: 51 62.943 2.158 1.194 0.737 0.960 0.780 CB 1.583 51 residues pruned to eliminate duplicates Z: 28 42.849 2.160 0.870 0.855 1.000 0.704 CB 1.507 28 residues pruned to eliminate duplicates Z: 26 27.805 2.047 0.839 0.811 0.800 0.560 CB 1.409 28 residues pruned to eliminate duplicates Z: 56 43.287 2.115 0.813 0.550 0.964 0.655 CB 1.504 56 residues pruned to eliminate duplicates Z: 25 31.940 1.991 0.851 0.773 1.000 0.792 CB 1.390 25 residues pruned to eliminate duplicates Z: 16 44.281 2.181 1.336 0.927 1.000 0.733 CB 1.573 16 residues pruned to eliminate duplicates Z: 17 37.755 2.297 1.089 0.912 0.875 0.625 CB 1.592 26 residues pruned to eliminate duplicates Z: 28 47.616 2.285 0.926 0.706 1.000 0.852 CB 1.727 28 residues pruned to eliminate duplicates Z: 28 32.157 2.120 0.580 0.840 0.926 0.593 CB 1.489 28 residues pruned to eliminate duplicates Z: 81 60.822 2.216 0.758 0.708 0.938 0.663 CB 1.541 81 residues pruned to eliminate duplicates Z: 17 36.800 2.169 1.247 0.956 0.938 0.750 CB 1.383 17 residues pruned to eliminate duplicates Z: 11 31.391 2.057 1.098 0.895 1.000 0.700 CB 1.649 11 residues pruned to eliminate duplicates Z: 58 48.949 2.115 0.938 0.602 0.947 0.702 CB 1.515 58 residues pruned to eliminate duplicates Z: 17 37.856 2.233 1.200 0.870 0.875 0.625 CB 1.606 17 residues pruned to eliminate duplicates Z: 11 16.417 1.726 1.011 0.573 1.000 0.600 CA 1.394 11 residues pruned to eliminate duplicates Z: 28 45.556 2.174 0.846 0.870 1.000 0.815 CB 1.596 28 residues pruned to eliminate duplicates Z: 83 69.638 2.216 0.937 0.685 0.951 0.683 CB 1.589 73 residues pruned to eliminate duplicates Z: 16 36.400 2.156 1.066 0.930 1.000 0.600 CB 1.476 16 residues pruned to eliminate duplicates Z: 26 50.172 2.199 0.976 0.918 1.000 0.840 CB 1.628 26 residues pruned to eliminate duplicates Z: 17 25.008 2.083 0.578 0.933 1.000 0.938 CB 1.327 17 residues pruned to eliminate duplicates Z: 12 13.077 2.005 0.442 0.563 1.000 0.636 CB 1.283 12 residues pruned to eliminate duplicates Z: 26 48.325 2.231 1.005 0.915 0.920 0.760 CB 1.660 26 residues pruned to eliminate duplicates Z: 17 30.680 2.108 0.805 0.926 1.000 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 25 29.549 2.241 0.432 0.904 0.875 0.667 CB 1.529 25 residues pruned to eliminate duplicates Z: 26 41.611 2.258 0.746 0.922 1.000 0.720 CB 1.485 26 residues pruned to eliminate duplicates Z: 7 8.306 1.959 0.401 0.889 1.000 0.500 CB 0.889 7 residues pruned to eliminate duplicates Z: 18 40.893 2.167 1.366 0.901 1.000 0.765 CB 1.381 18 residues pruned to eliminate duplicates Z: 79 47.384 2.008 0.730 0.713 0.936 0.692 CB 1.360 79 residues pruned to eliminate duplicates Z: 33 32.972 2.041 0.700 0.782 0.938 0.688 CB 1.398 33 residues pruned to eliminate duplicates Z: 27 45.018 2.174 0.726 0.911 1.000 0.846 CB 1.667 27 residues pruned to eliminate duplicates Z: 6 7.445 1.918 0.947 0.539 1.000 0.600 CA 0.858 Z: 28 41.242 2.140 0.701 0.897 0.963 0.630 CB 1.620 28 residues pruned to eliminate duplicates Z: 19 37.175 2.087 0.865 0.884 1.000 0.778 CB 1.627 19 residues pruned to eliminate duplicates Z: 27 57.586 2.261 1.254 0.781 1.000 0.885 CB 1.730 27 residues pruned to eliminate duplicates Z: 11 5.992 1.788 0.046 0.366 0.800 0.400 O 1.461 Z: 14 18.726 1.746 0.719 0.911 1.000 0.769 CB 1.227 14 residues pruned to eliminate duplicates Z: 51 37.708 2.069 0.686 0.709 0.940 0.600 CB 1.345 51 residues pruned to eliminate duplicates Z: 27 40.102 2.192 0.706 0.884 0.923 0.654 CB 1.647 27 residues pruned to eliminate duplicates Z: 20 16.307 1.904 0.796 0.521 0.789 0.684 CA 1.357 20 residues pruned to eliminate duplicates Z: 16 19.113 2.041 0.862 0.502 0.867 0.600 CB 1.495 16 residues pruned to eliminate duplicates Z: 14 36.797 2.135 1.346 0.819 0.923 0.769 CA 1.674 14 residues pruned to eliminate duplicates Z: 26 23.269 1.990 0.386 0.883 0.960 0.760 CB 1.272 26 residues pruned to eliminate duplicates Z: 11 6.916 1.794 0.177 0.463 0.900 0.800 CB 1.194 Z: 27 43.149 2.211 0.787 0.896 1.000 0.846 CB 1.534 27 residues pruned to eliminate duplicates Z: 83 73.820 2.226 0.967 0.701 0.951 0.707 CB 1.630 82 residues pruned to eliminate duplicates Z: 6 4.516 1.695 0.134 0.474 0.800 0.800 CB 1.349 6 residues pruned to eliminate duplicates Z: 27 41.664 2.202 0.774 0.878 0.962 0.846 CB 1.578 27 residues pruned to eliminate duplicates Z: 21 37.320 2.065 1.129 0.873 0.950 0.700 CB 1.456 21 residues pruned to eliminate duplicates Z: 33 45.687 2.208 0.963 0.741 0.969 0.781 CB 1.549 33 residues pruned to eliminate duplicates Z: 6 4.264 1.710 1.672 0.278 1.000 0.400 CB 0.536 6 residues pruned to eliminate duplicates Z: 26 28.054 1.999 0.674 0.878 0.960 0.600 CB 1.268 26 residues pruned to eliminate duplicates Z: 11 8.667 1.702 0.626 0.559 0.800 0.600 CB 1.168 Z: 82 60.632 2.194 0.791 0.705 0.963 0.704 CB 1.478 82 residues pruned to eliminate duplicates Z: 27 39.907 2.186 0.789 0.877 0.923 0.462 CB 1.575 27 residues pruned to eliminate duplicates Z: 28 43.481 2.160 0.801 0.863 1.000 0.704 CB 1.578 28 residues pruned to eliminate duplicates Z: 16 19.592 1.830 0.619 0.930 1.000 1.000 CB 1.194 16 residues pruned to eliminate duplicates Z: 83 58.173 2.194 0.676 0.696 0.951 0.659 CB 1.535 83 residues pruned to eliminate duplicates Z: 16 20.789 1.806 0.644 0.890 1.000 0.800 CB 1.300 16 residues pruned to eliminate duplicates Z: 16 26.736 2.159 1.069 0.677 0.933 0.667 CB 1.406 16 residues pruned to eliminate duplicates Z: 29 39.358 2.105 0.777 0.845 0.964 0.607 CB 1.533 29 residues pruned to eliminate duplicates Z: 25 14.061 1.821 0.589 0.409 0.875 0.542 CB 1.247 36 residues pruned to eliminate duplicates Z: 25 25.829 2.017 0.630 0.850 0.917 0.625 CB 1.296 25 residues pruned to eliminate duplicates Z: 18 33.802 2.108 1.281 0.859 0.941 0.706 CB 1.334 18 residues pruned to eliminate duplicates Z: 26 24.865 1.926 0.713 0.858 0.880 0.520 CB 1.261 26 residues pruned to eliminate duplicates Z: 26 42.302 2.045 1.022 0.897 0.960 0.640 CB 1.526 26 residues pruned to eliminate duplicates Z: 24 25.607 2.003 0.547 0.869 0.957 0.696 CB 1.316 24 residues pruned to eliminate duplicates Z: 28 35.597 2.166 0.684 0.842 0.926 0.741 CB 1.511 28 residues pruned to eliminate duplicates Z: 23 23.727 2.054 0.690 0.892 0.818 0.591 CB 1.279 23 residues pruned to eliminate duplicates Z: 99 72.745 2.195 0.979 0.681 0.949 0.684 CB 1.509 139 residues pruned to eliminate duplicates Z: 14 16.592 1.955 0.683 0.560 0.923 0.692 CB 1.430 14 residues pruned to eliminate duplicates Z: 40 32.349 2.053 0.918 0.565 0.923 0.641 CB 1.338 55 residues pruned to eliminate duplicates Z: 20 21.855 1.964 0.791 0.638 0.895 0.632 CB 1.400 Z: 17 38.183 2.182 0.796 0.934 1.000 1.000 CB 1.699 17 residues pruned to eliminate duplicates Z: 17 30.983 2.084 0.764 0.932 1.000 1.000 CB 1.472 17 residues pruned to eliminate duplicates Z: 24 20.269 1.982 0.346 0.816 0.870 0.696 CB 1.385 24 residues pruned to eliminate duplicates Z: 17 33.544 2.164 0.865 0.883 0.938 0.750 CB 1.602 17 residues pruned to eliminate duplicates Z: 34 50.775 2.240 1.203 0.671 0.970 0.667 CB 1.577 60 residues pruned to eliminate duplicates Z: 15 11.109 1.959 0.324 0.392 0.857 0.571 CB 1.497 Z: 20 23.303 1.942 0.684 0.852 0.895 0.684 CB 1.351 20 residues pruned to eliminate duplicates Z: 24 27.001 1.915 0.859 0.702 0.957 0.870 CB 1.376 23 residues pruned to eliminate duplicates Z: 27 41.044 2.218 0.763 0.860 0.962 0.654 CB 1.574 27 residues pruned to eliminate duplicates Z: 13 10.153 1.896 0.689 0.444 0.833 0.583 CB 1.163 Z: 27 42.802 2.168 0.838 0.881 0.962 0.731 CB 1.586 27 residues pruned to eliminate duplicates Z: 18 32.401 2.046 1.345 0.900 0.941 0.647 CB 1.243 18 residues pruned to eliminate duplicates Z: 83 76.544 2.239 0.990 0.706 0.963 0.720 CB 1.633 96 residues pruned to eliminate duplicates Z: 24 22.820 2.201 0.266 0.870 0.826 0.522 CB 1.509 Z: 26 31.883 2.017 0.717 0.900 1.000 0.640 CB 1.315 26 residues pruned to eliminate duplicates Z: 26 29.602 2.004 0.709 0.891 0.960 0.640 CB 1.294 26 residues pruned to eliminate duplicates Z: 10 20.519 2.196 0.544 0.874 0.889 0.889 CB 1.652 10 residues pruned to eliminate duplicates Z: 66 55.547 2.153 0.975 0.607 0.938 0.723 CB 1.560 40 residues pruned to eliminate duplicates Z: 84 73.833 2.222 1.034 0.674 0.928 0.711 CB 1.647 84 residues pruned to eliminate duplicates Z: 15 17.876 1.870 0.444 0.899 1.000 0.929 CB 1.266 15 residues pruned to eliminate duplicates Z: 24 26.117 2.007 0.473 0.920 1.000 0.565 CB 1.297 24 residues pruned to eliminate duplicates Z: 24 30.677 2.023 0.760 0.891 0.957 0.826 CB 1.350 24 residues pruned to eliminate duplicates Z: 53 59.139 2.215 0.903 0.744 0.962 0.731 CB 1.627 53 residues pruned to eliminate duplicates Z: 7 6.253 1.622 0.405 0.711 1.000 0.667 CB 0.925 7 residues pruned to eliminate duplicates Z: 11 12.588 2.065 0.278 0.684 0.800 0.500 CB 1.592 11 residues pruned to eliminate duplicates Z: 68 59.820 2.168 0.947 0.676 0.955 0.791 CB 1.540 68 residues pruned to eliminate duplicates Z: 27 37.539 2.203 0.685 0.885 0.923 0.692 CB 1.551 27 residues pruned to eliminate duplicates Z: 25 27.766 1.996 0.826 0.879 0.958 0.625 CB 1.176 25 residues pruned to eliminate duplicates Z: 54 54.750 2.166 0.860 0.742 0.962 0.755 CB 1.561 54 residues pruned to eliminate duplicates Z: 27 33.473 2.048 0.905 0.681 0.923 0.808 CB 1.543 27 residues pruned to eliminate duplicates Z: 13 11.597 2.011 0.713 0.486 0.917 0.667 CB 1.075 13 residues pruned to eliminate duplicates Z: 17 29.682 2.245 0.636 0.910 0.938 0.812 CB 1.529 17 residues pruned to eliminate duplicates Z: 7 5.890 1.405 0.445 0.779 0.833 0.667 C 1.111 Z: 17 30.785 2.120 1.053 0.894 1.000 0.625 CB 1.268 17 residues pruned to eliminate duplicates Z: 11 9.240 1.878 0.504 0.492 1.000 0.800 CB 1.043 11 residues pruned to eliminate duplicates Z: 20 12.671 1.812 0.616 0.481 0.842 0.579 CB 1.201 14 residues pruned to eliminate duplicates Z: 11 19.787 2.094 0.560 0.767 0.900 0.600 CA 1.679 11 residues pruned to eliminate duplicates Z: 11 21.266 2.129 0.517 0.818 1.000 0.800 CB 1.579 9 residues pruned to eliminate duplicates Z: 23 31.413 2.060 0.763 0.879 1.000 0.591 CB 1.337 23 residues pruned to eliminate duplicates Z: 27 41.123 2.157 0.622 0.906 1.000 0.808 CB 1.640 27 residues pruned to eliminate duplicates Z: 26 23.185 1.963 0.539 0.886 0.920 0.680 CB 1.204 26 residues pruned to eliminate duplicates Z: 14 17.524 1.742 0.563 0.901 1.000 0.846 CB 1.274 14 residues pruned to eliminate duplicates Z: 79 56.979 2.162 0.822 0.647 0.949 0.628 CB 1.505 79 residues pruned to eliminate duplicates Z: 24 25.330 1.983 0.487 0.871 1.000 0.652 CB 1.306 24 residues pruned to eliminate duplicates Z: 17 39.698 2.147 1.320 0.937 1.000 0.875 CB 1.387 17 residues pruned to eliminate duplicates Z: 43 41.438 2.172 0.632 0.718 0.952 0.595 CB 1.556 28 residues pruned to eliminate duplicates Z: 14 18.873 1.729 0.717 0.923 1.000 0.846 CB 1.239 14 residues pruned to eliminate duplicates Z: 31 42.714 2.216 0.875 0.755 0.933 0.700 CB 1.602 31 residues pruned to eliminate duplicates Z: 22 13.401 1.939 0.800 0.431 0.857 0.524 CB 1.050 22 residues pruned to eliminate duplicates Z: 18 29.465 2.173 0.706 0.901 0.882 0.765 CB 1.560 18 residues pruned to eliminate duplicates Z: 15 18.481 1.954 0.600 0.524 1.000 0.643 CB 1.543 13 residues pruned to eliminate duplicates Z: 18 13.086 1.852 0.648 0.562 0.765 0.706 CB 1.281 18 residues pruned to eliminate duplicates Z: 10 21.147 2.189 0.641 0.881 0.889 0.667 CB 1.598 10 residues pruned to eliminate duplicates Z: 45 46.057 2.202 0.840 0.744 0.955 0.727 CB 1.444 44 residues pruned to eliminate duplicates Z: 14 20.268 1.716 0.911 0.921 1.000 0.846 CB 1.206 14 residues pruned to eliminate duplicates Z: 53 57.699 2.214 0.830 0.724 0.981 0.731 CB 1.645 53 residues pruned to eliminate duplicates Z: 18 22.415 2.047 0.831 0.631 0.941 0.647 CB 1.363 18 residues pruned to eliminate duplicates Z: 26 29.039 2.000 0.699 0.880 0.960 0.800 CB 1.290 26 residues pruned to eliminate duplicates Z: 27 39.020 2.177 0.610 0.898 1.000 0.731 CB 1.561 26 residues pruned to eliminate duplicates Z: 54 55.156 2.144 1.051 0.656 0.962 0.736 CB 1.548 54 residues pruned to eliminate duplicates Z: 27 40.566 2.106 0.856 0.875 0.962 0.769 CB 1.540 27 residues pruned to eliminate duplicates Z: 27 36.317 2.124 0.531 0.905 1.000 0.692 CB 1.559 27 residues pruned to eliminate duplicates Z: 26 21.449 1.970 0.394 0.877 0.920 0.640 CB 1.233 26 residues pruned to eliminate duplicates Z: 26 27.467 1.990 0.715 0.912 0.920 0.760 CB 1.239 26 residues pruned to eliminate duplicates Z: 26 42.031 2.258 0.787 0.888 0.960 0.760 CB 1.563 26 residues pruned to eliminate duplicates Z: 12 21.518 2.033 0.760 0.740 0.909 0.455 CB 1.609 12 residues pruned to eliminate duplicates Z: 13 13.904 1.943 0.796 0.458 0.917 0.750 CB 1.309 13 residues pruned to eliminate duplicates Z: 14 20.279 2.038 0.657 0.573 1.000 0.846 CB 1.552 14 residues pruned to eliminate duplicates Z: 13 16.460 2.018 0.869 0.542 0.917 0.667 CB 1.319 13 residues pruned to eliminate duplicates Z: 16 22.809 1.861 0.810 0.931 1.000 0.800 CB 1.221 16 residues pruned to eliminate duplicates Z: 16 25.608 1.851 0.823 0.947 1.000 0.933 CB 1.354 16 residues pruned to eliminate duplicates Z: 14 17.482 2.078 0.587 0.529 1.000 0.538 CB 1.430 14 residues pruned to eliminate duplicates Z: 25 24.853 1.965 0.625 0.895 0.958 0.667 CB 1.188 25 residues pruned to eliminate duplicates Z: 11 24.210 2.050 0.644 0.860 1.000 0.700 CB 1.670 11 residues pruned to eliminate duplicates Z: 6 3.114 1.870 -0.355 0.653 1.000 0.800 N 1.001 Z: 25 27.877 2.002 0.496 0.886 1.000 0.667 CB 1.371 25 residues pruned to eliminate duplicates Z: 37 25.250 2.002 0.757 0.504 0.917 0.639 CB 1.300 37 residues pruned to eliminate duplicates Z: 19 30.608 2.142 0.748 0.824 0.889 0.778 CB 1.638 19 residues pruned to eliminate duplicates Z: 28 49.569 2.092 1.010 0.900 1.000 0.815 CB 1.621 28 residues pruned to eliminate duplicates Z: 20 14.384 1.890 0.683 0.383 0.842 0.632 CB 1.396 20 residues pruned to eliminate duplicates Z: 14 10.512 1.945 0.524 0.366 0.923 0.615 CB 1.230 14 residues pruned to eliminate duplicates Z: 55 57.542 2.177 1.017 0.661 0.981 0.722 CB 1.565 55 residues pruned to eliminate duplicates Z: 12 21.265 2.142 1.091 0.721 0.909 0.727 CB 1.290 12 residues pruned to eliminate duplicates Z: 27 31.601 2.157 0.439 0.892 1.000 0.731 CB 1.434 27 residues pruned to eliminate duplicates Z: 26 38.000 2.112 0.786 0.864 0.960 0.800 CB 1.538 26 residues pruned to eliminate duplicates Z: 7 2.901 1.742 0.182 0.083 0.833 0.667 CB 1.183 Z: 18 29.551 2.078 0.894 0.893 0.941 0.647 CB 1.389 18 residues pruned to eliminate duplicates Z: 8 3.721 1.681 0.318 0.447 0.571 0.286 CB 1.174 Z: 11 19.801 1.953 0.699 0.866 1.000 0.800 CB 1.381 11 residues pruned to eliminate duplicates Z: 7 2.650 1.498 -0.290 0.621 0.833 0.667 C 1.089 Z: 16 32.392 2.141 0.862 0.934 1.000 0.933 CB 1.462 16 residues pruned to eliminate duplicates Z: 25 27.020 1.952 0.670 0.881 0.917 0.667 CB 1.337 25 residues pruned to eliminate duplicates Z: 7 6.564 1.716 0.674 0.548 0.667 0.500 CB 1.335 7 residues pruned to eliminate duplicates Z: 15 15.746 1.708 0.584 0.929 1.000 0.929 CB 1.088 15 residues pruned to eliminate duplicates Z: 25 30.860 2.015 0.756 0.882 1.000 0.542 CB 1.288 25 residues pruned to eliminate duplicates Z: 40 37.981 2.084 0.734 0.693 0.923 0.795 CB 1.528 40 residues pruned to eliminate duplicates Z: 29 22.604 1.937 0.691 0.534 0.964 0.679 CB 1.308 29 residues pruned to eliminate duplicates Z: 14 16.523 1.780 0.647 0.864 1.000 0.769 CB 1.146 14 residues pruned to eliminate duplicates Z: 21 26.466 1.955 0.534 0.842 1.000 0.650 CB 1.470 21 residues pruned to eliminate duplicates Z: 82 79.078 2.261 1.061 0.700 0.951 0.753 CB 1.653 82 residues pruned to eliminate duplicates Z: 10 4.286 1.709 0.254 0.335 0.667 0.556 CB 1.198 Z: 7 3.035 1.484 -0.236 0.592 1.000 0.667 CB 1.001 5 residues pruned to eliminate duplicates Z: 10 3.906 1.662 0.286 0.446 0.667 0.444 CB 0.967 10 residues pruned to eliminate duplicates Z: 25 30.575 1.989 0.729 0.913 1.000 0.708 CB 1.285 25 residues pruned to eliminate duplicates Z: 36 28.353 1.949 0.650 0.694 0.943 0.714 CB 1.323 36 residues pruned to eliminate duplicates Z: 12 11.552 1.921 0.528 0.638 0.909 0.727 N 1.147 Z: 14 25.203 2.052 1.046 0.786 0.923 0.769 CB 1.403 14 residues pruned to eliminate duplicates Z: 14 21.731 2.105 0.956 0.687 0.923 0.615 CB 1.337 14 residues pruned to eliminate duplicates Z: 51 34.799 2.063 0.629 0.699 0.920 0.620 CB 1.327 51 residues pruned to eliminate duplicates Z: 26 28.423 2.016 0.554 0.882 1.000 0.720 CB 1.313 26 residues pruned to eliminate duplicates Z: 11 21.464 1.979 0.993 0.776 1.000 0.900 N 1.348 11 residues pruned to eliminate duplicates Z: 27 44.183 2.154 0.859 0.886 1.000 0.692 CB 1.562 27 residues pruned to eliminate duplicates Z: 18 16.004 1.901 0.606 0.445 1.000 0.588 CB 1.345 18 residues pruned to eliminate duplicates Z: 45 46.950 2.142 1.111 0.611 0.909 0.750 CB 1.550 45 residues pruned to eliminate duplicates Z: 12 20.292 1.809 0.858 0.932 1.000 0.909 CB 1.270 12 residues pruned to eliminate duplicates Z: 58 50.412 2.271 0.713 0.682 0.930 0.596 CB 1.561 65 residues pruned to eliminate duplicates Z: 7 4.070 1.649 0.424 0.380 0.667 0.333 O 1.207 Z: 9 14.024 2.005 0.479 0.747 1.000 0.875 CB 1.341 9 residues pruned to eliminate duplicates Z: 6 2.540 1.595 0.758 0.159 0.600 0.200 N 1.024 6 residues pruned to eliminate duplicates Z: 30 25.883 2.078 0.967 0.428 0.828 0.586 CB 1.531 30 residues pruned to eliminate duplicates Z: 11 16.997 1.942 0.414 0.897 1.000 1.000 CB 1.401 11 residues pruned to eliminate duplicates Z: 110 72.265 2.188 0.836 0.635 0.954 0.688 CB 1.592 110 residues pruned to eliminate duplicates Z: 54 55.580 2.155 1.079 0.625 0.981 0.717 CB 1.543 54 residues pruned to eliminate duplicates Z: 25 25.431 1.994 0.524 0.891 0.917 0.667 CB 1.340 25 residues pruned to eliminate duplicates Z: 57 47.493 2.239 0.620 0.700 0.929 0.643 CB 1.569 56 residues pruned to eliminate duplicates Z: 10 5.673 1.742 -0.152 0.754 1.000 1.000 CB 1.021 Z: 18 22.901 1.918 0.586 0.877 0.941 0.765 CB 1.409 18 residues pruned to eliminate duplicates Z: 28 29.725 2.129 0.441 0.840 0.889 0.593 CB 1.566 28 residues pruned to eliminate duplicates Z: 9 13.191 1.699 0.800 0.895 0.875 0.625 CB 1.249 9 residues pruned to eliminate duplicates Z: 26 23.171 1.917 0.765 0.579 0.920 0.680 CB 1.380 45 residues pruned to eliminate duplicates Z: 14 10.033 1.735 0.366 0.696 0.769 0.462 CB 1.277 14 residues pruned to eliminate duplicates Z: 35 17.003 1.984 0.484 0.402 0.824 0.529 CB 1.333 20 residues pruned to eliminate duplicates Z: 9 12.882 1.944 0.950 0.691 0.875 0.875 N 1.153 9 residues pruned to eliminate duplicates Z: 7 4.178 1.438 -0.011 0.578 1.000 0.667 CB 1.113 Z: 18 10.772 1.794 0.714 0.426 0.882 0.647 CB 1.040 18 residues pruned to eliminate duplicates Z: 17 18.924 2.092 0.687 0.517 0.875 0.688 CB 1.506 17 residues pruned to eliminate duplicates Z: 6 7.016 1.489 0.971 0.679 0.800 0.800 N 1.133 6 residues pruned to eliminate duplicates Z: 16 20.896 1.864 0.994 0.906 0.933 0.467 CB 1.106 16 residues pruned to eliminate duplicates Z: 24 30.506 1.974 0.768 0.884 1.000 0.565 CB 1.316 24 residues pruned to eliminate duplicates Z: 18 33.178 2.106 0.877 0.915 1.000 0.882 CB 1.439 18 residues pruned to eliminate duplicates Z: 26 32.664 2.128 0.576 0.882 0.920 0.640 CB 1.532 26 residues pruned to eliminate duplicates Z: 6 3.443 1.556 -0.009 0.488 0.800 0.200 C 1.263 Z: 24 26.597 1.968 0.968 0.612 0.870 0.696 CB 1.481 24 residues pruned to eliminate duplicates Z: 13 24.555 1.906 0.904 0.925 1.000 1.000 CB 1.370 13 residues pruned to eliminate duplicates Z: 15 14.940 1.990 0.462 0.427 1.000 0.571 CB 1.480 15 residues pruned to eliminate duplicates Z: 28 40.498 2.159 0.768 0.863 1.000 0.593 CB 1.498 28 residues pruned to eliminate duplicates Z: 14 14.192 1.808 0.606 0.534 0.923 0.846 CA 1.420 14 residues pruned to eliminate duplicates Z: 13 12.778 1.906 0.810 0.504 0.917 0.750 CB 1.162 13 residues pruned to eliminate duplicates Z: 38 37.011 2.087 1.025 0.627 0.865 0.676 CB 1.477 38 residues pruned to eliminate duplicates Z: 52 35.657 2.062 0.647 0.702 0.922 0.608 CB 1.327 52 residues pruned to eliminate duplicates Z: 11 18.391 2.214 0.709 0.601 0.900 0.800 CB 1.551 11 residues pruned to eliminate duplicates Z: 22 13.204 1.942 0.667 0.379 0.762 0.429 CB 1.329 22 residues pruned to eliminate duplicates Z: 10 12.460 2.074 0.298 0.714 1.000 0.444 CB 1.270 10 residues pruned to eliminate duplicates Z: 16 17.698 1.788 0.335 0.924 1.000 1.000 CB 1.344 16 residues pruned to eliminate duplicates Z: 12 10.833 1.727 0.543 0.568 0.909 0.636 N 1.263 Z: 7 6.310 1.900 0.184 0.789 0.667 0.500 CA 1.332 7 residues pruned to eliminate duplicates Z: 15 23.333 1.776 1.002 0.919 1.000 0.500 CB 1.235 15 residues pruned to eliminate duplicates Z: 26 43.053 2.221 0.962 0.723 1.000 0.840 CB 1.616 27 residues pruned to eliminate duplicates Z: 15 20.924 1.995 1.081 0.718 0.929 0.714 CB 1.191 15 residues pruned to eliminate duplicates Z: 10 3.476 1.859 -0.247 0.352 0.889 0.667 CB 1.093 6 residues pruned to eliminate duplicates Z: 10 19.477 1.904 0.716 0.890 1.000 0.222 CB 1.429 10 residues pruned to eliminate duplicates Z: 7 4.657 1.564 0.424 0.512 0.667 0.667 N 1.265 7 residues pruned to eliminate duplicates Z: 16 26.661 2.134 0.498 0.937 1.000 0.933 CB 1.498 16 residues pruned to eliminate duplicates Z: 24 35.305 2.102 0.783 0.887 0.913 0.739 CB 1.552 24 residues pruned to eliminate duplicates Z: 10 10.279 1.932 0.245 0.738 0.889 0.444 CB 1.295 10 residues pruned to eliminate duplicates Z: 7 12.643 1.874 0.577 0.862 1.000 0.833 CB 1.282 7 residues pruned to eliminate duplicates Z: 13 19.905 1.812 0.882 0.884 1.000 1.000 CB 1.217 13 residues pruned to eliminate duplicates Z: 6 8.020 1.804 0.062 0.756 1.000 0.800 C 1.491 8 residues pruned to eliminate duplicates Z: 6 5.672 1.720 0.116 0.877 0.800 0.800 CB 1.200 Z: 27 45.012 2.186 0.786 0.885 0.962 0.885 CB 1.698 27 residues pruned to eliminate duplicates Z: 6 7.382 1.684 0.608 0.653 0.800 0.800 N 1.321 6 residues pruned to eliminate duplicates Z: 11 10.634 1.883 0.710 0.375 0.900 0.500 CA 1.326 11 residues pruned to eliminate duplicates Z: 16 34.606 2.209 0.920 0.937 1.000 0.800 CB 1.466 16 residues pruned to eliminate duplicates Z: 8 5.308 1.718 0.218 0.373 1.000 0.571 CB 1.097 4 residues pruned to eliminate duplicates Z: 14 16.711 1.726 0.547 0.922 1.000 0.923 CB 1.220 14 residues pruned to eliminate duplicates Z: 8 10.665 2.114 0.537 0.856 0.857 0.286 CB 1.067 8 residues pruned to eliminate duplicates Z: 7 3.783 1.753 -0.071 0.417 0.833 0.500 N 1.242 Z: 27 31.374 2.145 0.755 0.890 0.846 0.500 CB 1.390 27 residues pruned to eliminate duplicates Z: 6 4.115 1.892 0.464 0.690 0.800 0.800 N 0.698 Z: 7 2.504 1.337 0.619 0.381 0.667 0.500 CB 0.804 Z: 25 28.864 2.001 0.652 0.913 0.958 0.750 CB 1.317 25 residues pruned to eliminate duplicates Z: 18 8.864 1.667 0.199 0.445 1.000 0.529 CB 1.138 18 residues pruned to eliminate duplicates Z: 41 31.470 1.968 0.904 0.618 0.875 0.675 CB 1.357 41 residues pruned to eliminate duplicates Z: 8 4.467 1.600 0.721 0.591 1.000 0.857 N 0.562 Z: 15 18.380 1.742 0.711 0.898 1.000 0.857 CB 1.179 15 residues pruned to eliminate duplicates Z: 16 24.171 1.856 0.931 0.938 1.000 0.733 CB 1.211 16 residues pruned to eliminate duplicates Z: 6 5.290 1.517 1.038 0.452 0.800 0.800 CB 1.004 Z: 12 6.509 1.722 0.550 0.428 0.818 0.636 CB 0.968 Z: 58 43.459 2.201 0.616 0.675 0.930 0.649 CB 1.481 57 residues pruned to eliminate duplicates Z: 79 57.493 2.121 1.025 0.568 0.910 0.679 CB 1.558 121 residues pruned to eliminate duplicates Z: 6 11.237 2.094 0.115 0.875 1.000 0.600 CB 1.566 6 residues pruned to eliminate duplicates Z: 11 16.074 1.879 0.738 0.805 0.900 0.900 N 1.324 Z: 26 39.830 2.166 1.033 0.692 0.920 0.840 CB 1.650 26 residues pruned to eliminate duplicates Z: 27 57.186 2.231 1.228 0.801 1.000 0.885 CB 1.734 27 residues pruned to eliminate duplicates Z: 6 5.596 1.821 -0.010 0.646 0.800 0.600 CB 1.515 5 residues pruned to eliminate duplicates Z: 13 15.866 1.671 0.626 0.923 1.000 0.917 CB 1.185 13 residues pruned to eliminate duplicates Z: 11 6.220 1.643 0.794 0.348 0.800 0.500 CB 0.984 7 residues pruned to eliminate duplicates Z: 25 20.267 1.946 0.459 0.844 0.917 0.708 CB 1.183 Z: 6 3.467 1.605 0.510 0.596 0.800 0.600 N 0.730 Z: 6 5.312 1.547 0.046 0.874 1.000 1.000 CA 1.068 6 residues pruned to eliminate duplicates Z: 27 40.859 2.122 0.769 0.895 0.962 0.692 CB 1.591 27 residues pruned to eliminate duplicates Z: 27 40.708 2.143 0.726 0.900 0.923 0.769 CB 1.670 27 residues pruned to eliminate duplicates Z: 6 4.211 1.529 0.567 0.471 0.800 0.600 CB 1.012 Z: 7 13.980 1.936 0.705 0.876 1.000 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 102 71.580 2.192 0.957 0.648 0.931 0.673 CB 1.554 196 residues pruned to eliminate duplicates Z: 6 5.879 1.704 0.150 0.858 1.000 0.800 CB 0.988 6 residues pruned to eliminate duplicates Z: 67 57.597 2.145 0.939 0.603 0.970 0.667 CB 1.594 67 residues pruned to eliminate duplicates Z: 9 9.059 1.848 1.008 0.552 1.000 0.625 CB 0.821 Z: 6 5.763 1.893 -0.339 0.814 1.000 1.000 CB 1.567 6 residues pruned to eliminate duplicates Z: 11 10.302 1.980 0.932 0.449 0.800 0.700 CB 1.122 8 residues pruned to eliminate duplicates Z: 31 26.430 2.057 0.745 0.561 0.867 0.467 CB 1.461 31 residues pruned to eliminate duplicates Z: 7 3.853 1.752 0.442 0.640 1.000 0.833 CB 0.546 Z: 12 16.213 1.931 0.538 0.631 0.909 0.727 CA 1.601 12 residues pruned to eliminate duplicates Z: 86 71.913 2.191 0.967 0.673 0.941 0.612 CB 1.639 86 residues pruned to eliminate duplicates Z: 8 3.513 1.544 -0.157 0.636 1.000 0.857 CB 0.897 8 residues pruned to eliminate duplicates Z: 65 42.525 2.060 0.767 0.659 0.938 0.656 CB 1.345 31 residues pruned to eliminate duplicates Z: 13 4.963 1.730 0.375 0.274 0.667 0.417 CB 1.168 13 residues pruned to eliminate duplicates Z: 9 4.649 1.671 -0.107 0.425 1.000 0.500 CB 1.190 7 residues pruned to eliminate duplicates Z: 23 20.021 1.988 0.658 0.554 0.955 0.591 CB 1.288 35 residues pruned to eliminate duplicates Z: 26 41.935 2.183 0.951 0.910 0.880 0.760 CB 1.587 26 residues pruned to eliminate duplicates Z: 7 3.215 1.733 0.416 0.248 0.667 0.667 CB 1.073 7 residues pruned to eliminate duplicates Z: 16 9.964 1.804 0.455 0.514 0.867 0.667 CB 1.115 Z: 19 37.933 2.183 1.176 0.921 0.944 0.500 CB 1.403 19 residues pruned to eliminate duplicates Z: 16 37.736 2.176 1.088 0.939 1.000 0.600 CB 1.490 16 residues pruned to eliminate duplicates Z: 14 21.453 1.750 0.948 0.936 1.000 0.692 CB 1.215 Z: 40 42.039 2.238 0.646 0.770 0.897 0.667 CB 1.604 40 residues pruned to eliminate duplicates Z: 14 4.225 1.651 0.083 0.310 0.769 0.615 CB 1.052 13 residues pruned to eliminate duplicates Z: 27 33.612 2.135 0.651 0.874 0.962 0.654 CB 1.415 27 residues pruned to eliminate duplicates Z: 14 19.516 1.752 0.771 0.934 1.000 0.615 CB 1.217 14 residues pruned to eliminate duplicates Z: 15 30.738 1.931 1.101 0.941 1.000 0.429 CB 1.406 15 residues pruned to eliminate duplicates Z: 27 38.316 2.274 0.661 0.843 0.923 0.538 CB 1.604 27 residues pruned to eliminate duplicates Z: 34 33.859 2.194 0.445 0.755 0.909 0.788 CB 1.629 34 residues pruned to eliminate duplicates Z: 13 15.235 1.863 0.579 0.616 0.917 0.583 CB 1.462 13 residues pruned to eliminate duplicates Z: 6 5.524 1.790 0.095 0.650 1.000 0.600 CB 1.096 7 residues pruned to eliminate duplicates Z: 7 3.695 1.607 0.002 0.542 0.833 0.667 CA 1.078 Z: 27 33.597 2.176 0.492 0.871 1.000 0.692 CB 1.480 27 residues pruned to eliminate duplicates Z: 7 4.770 1.591 0.278 0.467 0.833 0.333 N 1.188 6 residues pruned to eliminate duplicates Z: 28 40.047 2.101 0.736 0.864 1.000 0.667 CB 1.549 28 residues pruned to eliminate duplicates Z: 8 4.292 1.581 0.194 0.446 0.857 0.429 O 1.060 5 residues pruned to eliminate duplicates Z: 8 11.928 1.903 0.771 0.742 0.857 0.714 CB 1.257 8 residues pruned to eliminate duplicates Z: 25 26.212 1.985 0.505 0.911 0.958 0.708 CB 1.325 25 residues pruned to eliminate duplicates Z: 17 28.074 1.977 1.012 0.928 1.000 0.562 CB 1.236 17 residues pruned to eliminate duplicates Z: 9 6.569 1.520 0.207 0.829 1.000 0.875 CB 0.953 6 residues pruned to eliminate duplicates Z: 10 13.192 1.976 0.374 0.769 1.000 0.556 CB 1.275 10 residues pruned to eliminate duplicates Z: 8 12.729 1.887 0.623 0.826 1.000 0.714 CB 1.184 8 residues pruned to eliminate duplicates Z: 7 6.893 1.918 0.338 0.457 0.833 0.500 CB 1.375 7 residues pruned to eliminate duplicates Z: 38 38.515 2.084 0.820 0.657 0.946 0.703 CB 1.525 112 residues pruned to eliminate duplicates Z: 17 7.981 1.933 0.275 0.381 0.688 0.625 CB 1.337 Z: 32 25.087 1.947 1.063 0.444 0.806 0.581 CB 1.473 32 residues pruned to eliminate duplicates Z: 8 3.072 1.469 0.192 0.342 0.714 0.571 CB 1.102 Z: 8 13.993 1.828 0.528 0.878 1.000 0.714 CB 1.374 8 residues pruned to eliminate duplicates Z: 6 6.069 1.870 -0.080 0.855 1.000 1.000 CB 1.163 6 residues pruned to eliminate duplicates Z: 12 15.741 1.802 0.431 0.869 1.000 0.909 CB 1.345 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.844 1.760 0.597 0.310 1.000 0.400 CA 0.755 6 residues pruned to eliminate duplicates Z: 82 75.254 2.240 1.009 0.708 0.963 0.654 CB 1.598 82 residues pruned to eliminate duplicates Z: 52 43.896 2.097 0.869 0.629 0.902 0.588 CB 1.540 52 residues pruned to eliminate duplicates Z: 56 51.035 2.181 0.853 0.673 0.927 0.636 CB 1.566 56 residues pruned to eliminate duplicates Z: 96 70.434 2.178 0.895 0.665 0.958 0.663 CB 1.569 96 residues pruned to eliminate duplicates Z: 6 6.228 1.745 1.432 0.300 0.600 0.600 CB 1.367 6 residues pruned to eliminate duplicates Z: 83 78.057 2.250 0.982 0.713 0.976 0.683 CB 1.633 83 residues pruned to eliminate duplicates Z: 41 54.549 2.230 0.970 0.770 0.950 0.825 CB 1.626 41 residues pruned to eliminate duplicates Z: 56 54.574 2.179 0.891 0.713 0.927 0.545 CB 1.587 56 residues pruned to eliminate duplicates Z: 55 65.076 2.256 0.909 0.760 1.000 0.722 CB 1.632 55 residues pruned to eliminate duplicates Z: 31 50.273 2.242 1.086 0.817 0.933 0.767 CB 1.597 31 residues pruned to eliminate duplicates Z: 84 73.682 2.207 1.042 0.674 0.940 0.675 CB 1.626 84 residues pruned to eliminate duplicates Z: 55 67.392 2.230 1.037 0.773 0.981 0.685 CB 1.615 55 residues pruned to eliminate duplicates Z: 48 39.572 2.110 0.763 0.630 0.872 0.638 CB 1.574 59 residues pruned to eliminate duplicates Z: 53 56.294 2.211 0.866 0.722 0.962 0.654 CB 1.610 53 residues pruned to eliminate duplicates Z: 42 54.625 2.229 0.957 0.786 0.927 0.659 CB 1.641 42 residues pruned to eliminate duplicates Z: 101 70.279 2.170 0.884 0.647 0.940 0.660 CB 1.594 101 residues pruned to eliminate duplicates Z: 42 57.341 2.247 0.953 0.784 0.951 0.732 CB 1.671 42 residues pruned to eliminate duplicates Z: 34 48.692 2.237 1.048 0.737 0.939 0.788 CB 1.592 34 residues pruned to eliminate duplicates Z: 18 34.643 2.078 1.093 0.920 0.941 0.824 CB 1.445 18 residues pruned to eliminate duplicates Z: 102 75.892 2.204 0.950 0.668 0.931 0.653 CB 1.617 102 residues pruned to eliminate duplicates Z: 103 71.308 2.162 0.914 0.636 0.961 0.667 CB 1.563 103 residues pruned to eliminate duplicates Z: 45 50.708 2.203 0.980 0.711 0.909 0.614 CB 1.592 45 residues pruned to eliminate duplicates Z: 82 75.784 2.265 0.958 0.715 0.951 0.716 CB 1.644 82 residues pruned to eliminate duplicates Z: 45 50.711 2.216 0.882 0.712 0.909 0.705 CB 1.663 45 residues pruned to eliminate duplicates Z: 110 77.212 2.189 0.923 0.631 0.972 0.706 CB 1.598 110 residues pruned to eliminate duplicates Z: 109 76.696 2.193 0.867 0.643 0.972 0.731 CB 1.622 109 residues pruned to eliminate duplicates Z: 50 52.679 2.194 0.892 0.680 0.959 0.714 CB 1.602 50 residues pruned to eliminate duplicates Z: 53 61.478 2.232 0.890 0.736 0.981 0.673 CB 1.667 53 residues pruned to eliminate duplicates Z: 52 61.649 2.252 0.948 0.714 0.980 0.667 CB 1.654 52 residues pruned to eliminate duplicates Z: 41 58.643 2.214 0.989 0.786 0.975 0.800 CB 1.680 41 residues pruned to eliminate duplicates Z: 41 58.209 2.243 0.915 0.782 1.000 0.775 CB 1.671 41 residues pruned to eliminate duplicates Z: 52 65.452 2.255 1.011 0.746 0.961 0.745 CB 1.688 52 residues pruned to eliminate duplicates Z: 54 68.553 2.260 1.025 0.768 0.981 0.755 CB 1.653 54 residues pruned to eliminate duplicates Z: 40 60.986 2.245 1.002 0.805 1.000 0.872 CB 1.665 40 residues pruned to eliminate duplicates Z: 55 56.395 2.222 0.952 0.701 0.907 0.704 CB 1.624 55 residues pruned to eliminate duplicates Z: 29 33.227 2.127 0.604 0.852 0.893 0.500 CB 1.525 29 residues pruned to eliminate duplicates Z: 53 58.035 2.219 0.966 0.720 0.942 0.692 CB 1.604 53 residues pruned to eliminate duplicates Z: 118 77.702 2.199 0.902 0.627 0.932 0.701 CB 1.637 183 residues pruned to eliminate duplicates Z: 60 51.127 2.146 0.901 0.645 0.932 0.678 CB 1.529 60 residues pruned to eliminate duplicates Z: 44 50.046 2.175 1.057 0.602 0.953 0.605 CB 1.624 44 residues pruned to eliminate duplicates Z: 69 55.353 2.148 0.893 0.562 0.941 0.676 CB 1.651 69 residues pruned to eliminate duplicates Z: 65 48.697 2.117 0.909 0.572 0.922 0.641 CB 1.525 65 residues pruned to eliminate duplicates Z: 101 73.305 2.186 0.872 0.674 0.950 0.680 CB 1.607 101 residues pruned to eliminate duplicates Z: 82 74.810 2.256 0.961 0.679 0.963 0.667 CB 1.655 82 residues pruned to eliminate duplicates Z: 83 75.371 2.232 0.979 0.691 0.963 0.744 CB 1.642 83 residues pruned to eliminate duplicates Z: 44 50.547 2.212 1.066 0.619 0.977 0.698 CB 1.544 44 residues pruned to eliminate duplicates Z: 43 54.167 2.224 1.226 0.638 0.929 0.643 CB 1.598 43 residues pruned to eliminate duplicates Z: 61 48.263 2.151 0.834 0.610 0.917 0.733 CB 1.551 61 residues pruned to eliminate duplicates Z: 101 68.454 2.135 0.921 0.630 0.940 0.710 CB 1.571 101 residues pruned to eliminate duplicates Z: 43 53.528 2.215 1.182 0.625 0.952 0.690 CB 1.595 43 residues pruned to eliminate duplicates Z: 103 73.632 2.168 0.958 0.665 0.951 0.676 CB 1.550 103 residues pruned to eliminate duplicates Z: 86 75.636 2.212 1.023 0.681 0.965 0.694 CB 1.609 86 residues pruned to eliminate duplicates Z: 45 47.189 2.217 0.906 0.610 0.955 0.705 CB 1.588 45 residues pruned to eliminate duplicates Z: 101 76.513 2.198 0.963 0.665 0.960 0.670 CB 1.586 101 residues pruned to eliminate duplicates Z: 60 55.552 2.179 0.927 0.610 0.983 0.695 CB 1.578 60 residues pruned to eliminate duplicates Z: 32 47.365 2.213 1.068 0.643 0.968 0.742 CB 1.681 32 residues pruned to eliminate duplicates Z: 29 50.841 2.241 1.102 0.703 0.964 0.786 CA 1.758 29 residues pruned to eliminate duplicates Z: 32 46.025 2.197 1.136 0.650 0.935 0.677 CB 1.638 32 residues pruned to eliminate duplicates Z: 38 52.387 2.225 1.154 0.683 0.946 0.649 CB 1.605 38 residues pruned to eliminate duplicates Z: 29 48.833 2.289 1.045 0.720 0.964 0.857 CB 1.675 29 residues pruned to eliminate duplicates Z: 45 51.576 2.206 0.931 0.667 1.000 0.773 CB 1.564 45 residues pruned to eliminate duplicates Z: 55 54.314 2.159 0.980 0.591 0.981 0.741 CB 1.615 55 residues pruned to eliminate duplicates Z: 79 54.121 2.154 0.884 0.540 0.923 0.628 CB 1.573 79 residues pruned to eliminate duplicates Z: 54 50.945 2.185 0.865 0.616 0.981 0.717 CB 1.567 54 residues pruned to eliminate duplicates Z: 106 74.003 2.175 0.939 0.639 0.962 0.695 CB 1.562 106 residues pruned to eliminate duplicates Z: 58 52.168 2.127 0.885 0.627 0.965 0.702 CB 1.586 58 residues pruned to eliminate duplicates Z: 57 53.035 2.152 0.974 0.578 0.946 0.607 CB 1.635 57 residues pruned to eliminate duplicates Z: 42 48.189 2.140 0.937 0.631 0.976 0.732 CB 1.644 42 residues pruned to eliminate duplicates Z: 72 54.635 2.146 0.956 0.580 0.944 0.662 CB 1.515 72 residues pruned to eliminate duplicates Z: 33 44.032 2.116 1.165 0.620 0.938 0.719 CB 1.618 33 residues pruned to eliminate duplicates Z: 29 52.131 2.273 1.192 0.702 0.964 0.786 CB 1.707 29 residues pruned to eliminate duplicates Z: 29 52.393 2.258 1.136 0.714 1.000 0.857 CB 1.692 29 residues pruned to eliminate duplicates Z: 29 56.050 2.251 1.266 0.740 0.964 0.750 CB 1.736 29 residues pruned to eliminate duplicates Z: 37 48.519 2.164 1.121 0.676 0.917 0.722 CB 1.635 37 residues pruned to eliminate duplicates Z: 28 48.338 2.259 1.172 0.705 0.963 0.741 CB 1.633 28 residues pruned to eliminate duplicates Z: 55 55.227 2.191 0.976 0.617 0.981 0.741 CB 1.583 55 residues pruned to eliminate duplicates Z: 55 51.396 2.142 0.963 0.585 0.981 0.630 CB 1.562 55 residues pruned to eliminate duplicates Z: 48 48.740 2.168 0.912 0.630 0.979 0.745 CB 1.552 48 residues pruned to eliminate duplicates Z: 63 57.402 2.194 1.017 0.605 0.952 0.726 CB 1.567 63 residues pruned to eliminate duplicates Z: 47 50.452 2.187 1.014 0.625 1.000 0.696 CB 1.502 47 residues pruned to eliminate duplicates Z: 79 49.694 2.122 0.903 0.518 0.885 0.615 CB 1.547 86 residues pruned to eliminate duplicates Z: 50 44.550 2.134 0.974 0.584 0.959 0.633 CB 1.453 50 residues pruned to eliminate duplicates Z: 54 50.274 2.202 0.911 0.588 0.943 0.755 CB 1.598 54 residues pruned to eliminate duplicates Z: 99 74.274 2.210 0.883 0.680 0.969 0.735 CB 1.576 99 residues pruned to eliminate duplicates Z: 46 49.828 2.203 0.888 0.654 0.978 0.689 CB 1.582 46 residues pruned to eliminate duplicates Z: 82 52.368 2.085 0.899 0.589 0.926 0.667 CB 1.457 31 residues pruned to eliminate duplicates Z: 10 20.149 2.116 0.632 0.719 1.000 0.667 CB 1.596 10 residues pruned to eliminate duplicates Z: 65 58.431 2.188 1.004 0.599 0.953 0.734 CB 1.591 65 residues pruned to eliminate duplicates Z: 55 53.427 2.179 0.874 0.609 0.981 0.685 CB 1.635 55 residues pruned to eliminate duplicates Z: 109 77.262 2.198 0.937 0.648 0.944 0.676 CB 1.610 109 residues pruned to eliminate duplicates Z: 56 47.578 2.145 0.912 0.589 0.964 0.491 CB 1.490 56 residues pruned to eliminate duplicates Z: 28 28.323 2.017 0.896 0.501 0.963 0.556 CB 1.480 28 residues pruned to eliminate duplicates Z: 119 83.149 2.185 1.043 0.654 0.941 0.703 CB 1.579 119 residues pruned to eliminate duplicates Z: 55 55.732 2.168 1.012 0.654 0.963 0.741 CB 1.565 55 residues pruned to eliminate duplicates Z: 22 26.091 2.105 0.785 0.525 0.952 0.619 CA 1.552 22 residues pruned to eliminate duplicates Z: 13 20.329 1.985 1.021 0.589 1.000 0.583 CB 1.343 13 residues pruned to eliminate duplicates Z: 33 21.079 1.756 0.640 0.595 0.906 0.688 CB 1.304 47 residues pruned to eliminate duplicates Z: 14 11.539 1.972 0.475 0.473 0.846 0.615 CB 1.336 Z: 6 4.395 1.636 0.701 0.191 0.800 0.400 CA 1.277 6 residues pruned to eliminate duplicates Z: 14 13.011 2.048 0.606 0.393 0.846 0.462 CA 1.452 28 residues pruned to eliminate duplicates Z: 14 15.265 1.968 1.101 0.424 0.846 0.615 CA 1.309 14 residues pruned to eliminate duplicates Z: 8 13.021 2.049 1.193 0.387 1.000 0.429 CA 1.235 Z: 6 2.369 1.543 0.268 0.310 0.600 0.600 CA 1.113 6 residues pruned to eliminate duplicates Z: 64 63.662 2.208 0.995 0.645 0.952 0.746 CB 1.669 72 residues pruned to eliminate duplicates Z: 26 23.203 1.974 0.895 0.449 0.880 0.680 CB 1.485 26 residues pruned to eliminate duplicates Z: 93 66.452 2.157 1.063 0.579 0.913 0.652 CB 1.580 93 residues pruned to eliminate duplicates Z: 7 3.728 1.306 0.714 0.279 0.833 0.167 N 1.047 Z: 7 7.268 1.836 0.348 0.489 1.000 0.833 CB 1.212 Z: 6 5.878 1.707 0.767 0.418 0.800 0.400 CB 1.187 6 residues pruned to eliminate duplicates Z: 6 7.020 1.270 1.111 0.673 1.000 0.200 N 0.999 Z: 6 4.146 1.788 0.366 0.358 1.000 0.600 CB 0.884 Z: 8 6.508 1.620 0.804 0.435 0.857 0.857 CA 1.050 6 residues pruned to eliminate duplicates Z: 7 4.657 1.672 0.890 0.356 0.667 0.500 CB 1.055 5 residues pruned to eliminate duplicates Z: 6 9.192 1.747 0.845 0.360 1.000 0.600 CA 1.483 6 residues pruned to eliminate duplicates Z: 7 9.013 1.437 1.317 0.491 1.000 0.500 CB 1.115 5 residues pruned to eliminate duplicates Z: 6 3.793 1.695 0.866 0.266 0.600 0.600 C 1.166 Z: 15 20.451 1.874 0.670 0.802 1.000 0.929 CB 1.341 Z: 15 19.651 1.769 0.654 0.855 1.000 0.714 CB 1.325 14 residues pruned to eliminate duplicates Z: 14 20.950 1.749 1.001 0.942 1.000 0.846 CB 1.151 14 residues pruned to eliminate duplicates Z: 14 21.488 1.759 0.953 0.950 1.000 0.769 CB 1.197 14 residues pruned to eliminate duplicates Z: 14 19.760 1.745 0.769 0.925 1.000 0.692 CB 1.246 14 residues pruned to eliminate duplicates Z: 26 34.380 1.955 1.015 0.784 1.000 0.840 CB 1.360 35 residues pruned to eliminate duplicates Z: 7 10.610 1.808 0.702 0.847 0.833 0.333 CB 1.255 7 residues pruned to eliminate duplicates Z: 101 65.977 2.181 0.790 0.699 0.940 0.690 CB 1.499 126 residues pruned to eliminate duplicates Z: 102 66.189 2.171 0.777 0.690 0.960 0.614 CB 1.494 102 residues pruned to eliminate duplicates Z: 42 48.799 2.220 0.749 0.778 0.951 0.683 CB 1.614 Z: 6 3.504 1.514 0.659 0.390 1.000 0.800 CB 0.701 6 residues pruned to eliminate duplicates Z: 55 50.916 2.261 0.690 0.707 0.963 0.667 CB 1.560 59 residues pruned to eliminate duplicates Z: 7 5.322 1.445 1.111 0.323 0.833 0.667 CA 1.038 7 residues pruned to eliminate duplicates Z: 82 56.322 2.192 0.712 0.693 0.926 0.691 CB 1.509 82 residues pruned to eliminate duplicates Z: 57 49.188 2.281 0.676 0.693 0.946 0.714 CB 1.522 60 residues pruned to eliminate duplicates Z: 6 6.795 1.655 0.429 0.461 1.000 0.600 CA 1.336 6 residues pruned to eliminate duplicates Z: 80 67.030 2.240 0.838 0.726 0.962 0.722 CB 1.553 80 residues pruned to eliminate duplicates Z: 74 49.239 2.152 0.857 0.600 0.904 0.630 CB 1.450 55 residues pruned to eliminate duplicates Z: 28 29.748 2.226 0.303 0.840 0.963 0.741 CB 1.530 28 residues pruned to eliminate duplicates Z: 33 44.687 2.213 0.770 0.764 0.969 0.844 CB 1.648 33 residues pruned to eliminate duplicates Z: 44 45.549 2.183 0.778 0.735 0.930 0.651 CB 1.557 44 residues pruned to eliminate duplicates Z: 83 60.681 2.165 0.841 0.697 0.951 0.707 CB 1.477 83 residues pruned to eliminate duplicates Z: 50 46.379 2.210 0.685 0.723 0.939 0.673 CB 1.549 50 residues pruned to eliminate duplicates Z: 83 59.162 2.163 0.781 0.695 0.939 0.622 CB 1.511 83 residues pruned to eliminate duplicates Z: 83 60.531 2.179 0.827 0.710 0.939 0.695 CB 1.477 83 residues pruned to eliminate duplicates Z: 33 44.237 2.207 0.861 0.764 0.969 0.750 CB 1.555 33 residues pruned to eliminate duplicates Z: 80 66.849 2.231 0.825 0.721 0.962 0.620 CB 1.574 80 residues pruned to eliminate duplicates Z: 54 55.827 2.274 0.908 0.731 0.943 0.585 CB 1.523 54 residues pruned to eliminate duplicates Z: 82 64.585 2.223 0.842 0.729 0.938 0.630 CB 1.521 82 residues pruned to eliminate duplicates Z: 81 58.889 2.211 0.786 0.709 0.925 0.675 CB 1.491 81 residues pruned to eliminate duplicates Z: 42 52.760 2.232 0.991 0.770 0.976 0.537 CB 1.496 42 residues pruned to eliminate duplicates Z: 81 60.094 2.194 0.789 0.709 0.950 0.637 CB 1.491 81 residues pruned to eliminate duplicates Z: 53 53.652 2.281 0.830 0.720 0.923 0.635 CB 1.583 53 residues pruned to eliminate duplicates Z: 59 57.749 2.198 0.955 0.721 0.948 0.569 CB 1.524 59 residues pruned to eliminate duplicates Z: 48 53.765 2.268 0.878 0.734 0.957 0.617 CB 1.558 48 residues pruned to eliminate duplicates Z: 54 58.066 2.293 0.870 0.737 0.981 0.642 CB 1.533 53 residues pruned to eliminate duplicates Z: 28 37.463 2.148 0.689 0.898 1.000 0.630 CB 1.422 28 residues pruned to eliminate duplicates Z: 82 59.418 2.165 0.826 0.698 0.963 0.704 CB 1.448 82 residues pruned to eliminate duplicates Z: 14 9.503 1.999 0.751 0.530 0.769 0.462 CB 0.951 14 residues pruned to eliminate duplicates Z: 12 12.401 2.087 0.518 0.605 0.727 0.364 CB 1.469 12 residues pruned to eliminate duplicates Z: 53 41.721 2.151 0.783 0.637 0.904 0.635 CB 1.469 53 residues pruned to eliminate duplicates Z: 40 48.607 2.289 0.770 0.771 0.974 0.718 CB 1.551 40 residues pruned to eliminate duplicates Z: 83 61.126 2.199 0.717 0.695 0.963 0.768 CB 1.553 83 residues pruned to eliminate duplicates Z: 53 39.016 2.090 0.693 0.650 0.904 0.692 CB 1.471 53 residues pruned to eliminate duplicates Z: 61 56.688 2.187 1.012 0.664 0.967 0.550 CB 1.477 61 residues pruned to eliminate duplicates Z: 15 16.380 2.128 0.642 0.654 0.786 0.429 CB 1.381 15 residues pruned to eliminate duplicates Z: 80 65.644 2.218 0.842 0.713 0.975 0.608 CB 1.529 80 residues pruned to eliminate duplicates Z: 81 66.866 2.217 0.903 0.713 0.963 0.738 CB 1.517 81 residues pruned to eliminate duplicates Z: 22 19.435 2.099 0.523 0.501 0.905 0.524 CB 1.465 15 residues pruned to eliminate duplicates Z: 6 4.724 1.654 1.096 0.290 0.600 0.400 CA 1.286 6 residues pruned to eliminate duplicates Z: 43 40.753 2.122 0.887 0.622 0.952 0.738 CB 1.470 43 residues pruned to eliminate duplicates Z: 41 41.568 2.127 0.919 0.654 0.975 0.700 CB 1.432 41 residues pruned to eliminate duplicates Z: 14 17.156 2.215 0.759 0.483 0.846 0.538 CB 1.469 14 residues pruned to eliminate duplicates Z: 44 32.158 2.078 0.712 0.567 0.907 0.558 CB 1.426 44 residues pruned to eliminate duplicates Z: 27 21.016 2.111 0.712 0.433 0.885 0.462 CB 1.381 22 residues pruned to eliminate duplicates Z: 79 64.304 2.183 0.943 0.663 0.962 0.628 CB 1.535 79 residues pruned to eliminate duplicates Z: 53 33.467 1.985 0.786 0.559 0.942 0.673 CB 1.311 53 residues pruned to eliminate duplicates Z: 81 64.699 2.186 0.906 0.701 0.975 0.700 CB 1.483 81 residues pruned to eliminate duplicates Z: 78 66.846 2.219 0.917 0.704 0.961 0.779 CB 1.547 78 residues pruned to eliminate duplicates Z: 42 43.155 2.145 0.948 0.661 0.951 0.659 CB 1.460 42 residues pruned to eliminate duplicates Z: 27 40.467 2.095 0.992 0.754 1.000 0.846 CB 1.517 27 residues pruned to eliminate duplicates Z: 51 43.638 2.139 0.835 0.629 0.940 0.680 CB 1.481 51 residues pruned to eliminate duplicates Z: 29 43.104 2.073 1.120 0.724 0.964 0.786 CB 1.570 29 residues pruned to eliminate duplicates Z: 28 39.832 2.064 1.020 0.760 1.000 0.815 CB 1.460 28 residues pruned to eliminate duplicates Z: 29 39.845 2.031 1.072 0.730 1.000 0.821 CB 1.454 29 residues pruned to eliminate duplicates Z: 100 70.485 2.175 0.964 0.676 0.960 0.657 CB 1.470 100 residues pruned to eliminate duplicates Z: 43 36.919 2.106 0.870 0.635 0.952 0.738 CB 1.339 43 residues pruned to eliminate duplicates Z: 78 66.916 2.218 0.921 0.700 0.961 0.714 CB 1.552 78 residues pruned to eliminate duplicates Z: 27 40.593 2.103 0.964 0.791 1.000 0.846 CB 1.492 27 residues pruned to eliminate duplicates Z: 30 32.940 2.003 1.001 0.657 0.931 0.759 CB 1.417 30 residues pruned to eliminate duplicates Z: 44 36.613 2.113 0.852 0.617 0.907 0.698 CB 1.409 44 residues pruned to eliminate duplicates Z: 25 45.571 2.168 1.120 0.771 1.000 0.875 CB 1.592 25 residues pruned to eliminate duplicates Z: 52 45.545 2.129 0.977 0.650 0.922 0.745 CB 1.430 52 residues pruned to eliminate duplicates Z: 26 44.220 2.109 1.082 0.792 1.000 0.880 CB 1.559 26 residues pruned to eliminate duplicates Z: 27 38.884 2.077 0.915 0.744 1.000 0.846 CB 1.541 27 residues pruned to eliminate duplicates Z: 26 41.660 2.106 1.008 0.768 1.000 0.800 CB 1.554 26 residues pruned to eliminate duplicates Z: 26 40.631 2.120 1.064 0.751 0.960 0.680 CB 1.547 26 residues pruned to eliminate duplicates Z: 26 44.743 2.129 1.127 0.776 1.000 0.840 CB 1.549 26 residues pruned to eliminate duplicates Z: 28 39.836 2.060 1.048 0.754 1.000 0.852 CB 1.449 28 residues pruned to eliminate duplicates Z: 16 27.078 1.862 1.094 0.923 1.000 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 27 41.910 2.096 1.085 0.769 1.000 0.846 CB 1.483 27 residues pruned to eliminate duplicates Z: 67 62.328 2.137 1.003 0.736 0.970 0.697 CB 1.496 67 residues pruned to eliminate duplicates Z: 27 41.084 2.068 1.087 0.744 1.000 0.462 CB 1.500 27 residues pruned to eliminate duplicates Z: 25 43.776 2.136 1.117 0.795 1.000 0.708 CB 1.527 25 residues pruned to eliminate duplicates Z: 42 46.955 2.169 1.011 0.639 0.951 0.707 CB 1.553 42 residues pruned to eliminate duplicates Z: 42 59.469 2.192 1.077 0.787 0.976 0.683 CB 1.625 42 residues pruned to eliminate duplicates Z: 19 28.355 1.931 1.205 0.640 0.944 0.611 CB 1.458 Z: 6 3.314 1.643 0.872 0.334 1.000 0.400 CB 0.578 6 residues pruned to eliminate duplicates Z: 53 56.099 2.174 0.972 0.694 0.962 0.615 CB 1.580 72 residues pruned to eliminate duplicates Z: 41 54.581 2.218 0.956 0.769 0.950 0.825 CB 1.649 41 residues pruned to eliminate duplicates Z: 40 54.743 2.201 1.043 0.770 0.897 0.769 CB 1.711 40 residues pruned to eliminate duplicates Z: 42 52.412 2.142 1.069 0.775 0.902 0.805 CB 1.606 42 residues pruned to eliminate duplicates Z: 43 56.181 2.180 1.042 0.776 0.952 0.738 CB 1.602 43 residues pruned to eliminate duplicates Z: 66 57.253 2.126 1.026 0.657 0.954 0.662 CB 1.493 66 residues pruned to eliminate duplicates Z: 43 55.851 2.173 1.052 0.766 0.952 0.738 CB 1.603 43 residues pruned to eliminate duplicates Z: 41 63.294 2.200 1.105 0.814 0.975 0.750 CB 1.687 41 residues pruned to eliminate duplicates Z: 40 60.822 2.227 1.062 0.806 0.949 0.692 CB 1.712 40 residues pruned to eliminate duplicates Z: 64 51.271 2.078 0.938 0.666 0.921 0.587 CB 1.494 64 residues pruned to eliminate duplicates Z: 53 53.133 2.191 0.828 0.709 0.942 0.673 CB 1.615 53 residues pruned to eliminate duplicates Z: 41 56.270 2.195 0.943 0.799 0.950 0.675 CB 1.690 41 residues pruned to eliminate duplicates Z: 41 61.311 2.190 1.063 0.793 0.975 0.700 CB 1.701 41 residues pruned to eliminate duplicates Z: 55 53.651 2.098 1.088 0.695 0.926 0.648 CB 1.506 55 residues pruned to eliminate duplicates Z: 53 53.051 2.171 0.968 0.726 0.904 0.692 CB 1.554 53 residues pruned to eliminate duplicates Z: 57 52.324 2.085 1.057 0.666 0.929 0.696 CB 1.505 57 residues pruned to eliminate duplicates Z: 42 53.024 2.189 0.960 0.765 0.951 0.659 CB 1.604 42 residues pruned to eliminate duplicates Z: 40 58.913 2.213 1.025 0.814 0.949 0.769 CB 1.689 40 residues pruned to eliminate duplicates Z: 52 49.155 2.178 0.863 0.682 0.922 0.686 CB 1.557 52 residues pruned to eliminate duplicates Z: 42 37.568 2.085 0.737 0.704 0.951 0.634 CB 1.415 42 residues pruned to eliminate duplicates Z: 82 69.255 2.141 0.973 0.706 0.963 0.716 CB 1.567 82 residues pruned to eliminate duplicates Z: 68 55.561 2.096 1.003 0.656 0.955 0.687 CB 1.465 68 residues pruned to eliminate duplicates Z: 52 59.017 2.219 0.934 0.726 0.961 0.765 CB 1.634 52 residues pruned to eliminate duplicates Z: 42 57.202 2.157 1.086 0.788 0.927 0.659 CB 1.663 42 residues pruned to eliminate duplicates Z: 41 50.509 2.192 0.891 0.731 0.950 0.600 CB 1.647 41 residues pruned to eliminate duplicates Z: 41 54.818 2.171 0.926 0.786 0.975 0.750 CB 1.654 41 residues pruned to eliminate duplicates Z: 42 59.433 2.185 1.072 0.803 0.976 0.585 CB 1.614 42 residues pruned to eliminate duplicates Z: 40 62.068 2.225 0.986 0.814 1.000 0.769 CB 1.712 40 residues pruned to eliminate duplicates Z: 48 59.147 2.210 1.050 0.721 0.979 0.787 CB 1.593 48 residues pruned to eliminate duplicates Z: 43 56.612 2.152 1.143 0.765 0.952 0.619 CB 1.573 43 residues pruned to eliminate duplicates Z: 49 50.712 2.127 0.942 0.700 0.958 0.708 CB 1.541 49 residues pruned to eliminate duplicates Z: 46 45.887 2.100 0.968 0.659 0.889 0.711 CB 1.606 46 residues pruned to eliminate duplicates Z: 42 55.637 2.176 1.059 0.768 0.927 0.732 CB 1.650 42 residues pruned to eliminate duplicates Z: 52 57.108 2.201 0.988 0.699 0.961 0.647 CB 1.586 52 residues pruned to eliminate duplicates Z: 44 48.340 2.089 1.112 0.704 0.907 0.535 CB 1.530 44 residues pruned to eliminate duplicates Z: 41 57.893 2.214 1.051 0.765 0.975 0.725 CB 1.635 41 residues pruned to eliminate duplicates Z: 83 74.668 2.167 0.996 0.707 0.976 0.732 CB 1.618 83 residues pruned to eliminate duplicates Z: 30 33.749 2.141 0.892 0.498 0.966 0.552 CB 1.606 30 residues pruned to eliminate duplicates Z: 13 16.233 2.085 0.723 0.522 1.000 0.750 CB 1.276 13 residues pruned to eliminate duplicates Z: 22 26.725 2.206 0.893 0.614 0.905 0.762 CB 1.385 22 residues pruned to eliminate duplicates Z: 25 25.252 2.108 0.893 0.620 0.917 0.583 CB 1.258 25 residues pruned to eliminate duplicates Z: 10 15.422 2.041 0.623 0.540 0.889 0.667 CA 1.679 10 residues pruned to eliminate duplicates Z: 57 48.148 2.043 1.005 0.644 0.875 0.679 CB 1.570 57 residues pruned to eliminate duplicates Z: 50 52.508 2.166 0.927 0.698 0.939 0.714 CB 1.598 50 residues pruned to eliminate duplicates Z: 78 50.106 2.118 0.885 0.558 0.922 0.662 CB 1.467 78 residues pruned to eliminate duplicates Z: 69 50.143 2.101 0.961 0.549 0.926 0.691 CB 1.519 69 residues pruned to eliminate duplicates Z: 59 40.635 2.091 0.811 0.536 0.914 0.586 CB 1.489 59 residues pruned to eliminate duplicates Z: 29 52.016 2.206 1.212 0.748 0.964 0.786 CB 1.674 29 residues pruned to eliminate duplicates Z: 55 45.617 2.124 0.820 0.598 0.963 0.704 CB 1.519 55 residues pruned to eliminate duplicates Z: 47 39.332 2.083 0.828 0.587 0.935 0.609 CB 1.500 47 residues pruned to eliminate duplicates Z: 53 47.789 2.185 0.862 0.600 0.962 0.654 CB 1.540 53 residues pruned to eliminate duplicates Z: 79 61.806 2.125 0.911 0.646 0.949 0.731 CB 1.585 79 residues pruned to eliminate duplicates Z: 55 45.069 2.127 0.905 0.565 0.926 0.630 CB 1.535 55 residues pruned to eliminate duplicates Z: 52 38.954 2.067 0.861 0.552 0.922 0.569 CB 1.462 52 residues pruned to eliminate duplicates Z: 27 53.714 2.269 1.041 0.784 1.000 0.846 CB 1.772 27 residues pruned to eliminate duplicates Z: 54 47.371 2.137 0.892 0.603 0.962 0.736 CB 1.516 54 residues pruned to eliminate duplicates Z: 30 48.403 2.111 1.147 0.706 0.966 0.759 CB 1.703 30 residues pruned to eliminate duplicates Z: 45 46.857 2.111 1.052 0.605 0.932 0.705 CB 1.584 45 residues pruned to eliminate duplicates Z: 68 45.684 2.110 0.897 0.543 0.896 0.672 CB 1.493 68 residues pruned to eliminate duplicates Z: 95 59.625 2.113 0.867 0.601 0.936 0.660 CB 1.512 160 residues pruned to eliminate duplicates Z: 16 37.270 2.096 1.081 0.909 1.000 0.867 CB 1.566 16 residues pruned to eliminate duplicates Z: 53 49.909 2.176 0.962 0.588 0.962 0.750 CB 1.549 53 residues pruned to eliminate duplicates Z: 27 56.036 2.268 1.297 0.763 0.962 0.731 CB 1.736 27 residues pruned to eliminate duplicates Z: 81 76.269 2.133 1.105 0.713 0.988 0.650 CB 1.585 81 residues pruned to eliminate duplicates Z: 42 49.665 2.142 1.235 0.609 0.927 0.707 CB 1.576 42 residues pruned to eliminate duplicates Z: 29 53.203 2.161 1.298 0.708 1.000 0.750 CB 1.677 29 residues pruned to eliminate duplicates Z: 92 66.605 2.147 1.004 0.637 0.956 0.714 CB 1.494 92 residues pruned to eliminate duplicates Z: 29 52.048 2.180 1.298 0.732 0.964 0.571 CB 1.653 29 residues pruned to eliminate duplicates Z: 54 49.938 2.163 1.012 0.583 0.962 0.547 CB 1.512 54 residues pruned to eliminate duplicates Z: 65 50.930 2.158 0.903 0.602 0.953 0.531 CB 1.476 65 residues pruned to eliminate duplicates Z: 44 46.271 2.109 1.005 0.672 0.953 0.535 CB 1.493 44 residues pruned to eliminate duplicates Z: 55 48.564 2.077 1.073 0.595 0.944 0.574 CB 1.484 55 residues pruned to eliminate duplicates Z: 53 51.786 2.160 1.039 0.609 0.962 0.635 CB 1.529 53 residues pruned to eliminate duplicates Z: 55 46.591 2.111 0.981 0.579 0.944 0.667 CB 1.487 55 residues pruned to eliminate duplicates Z: 54 54.995 2.140 1.086 0.623 1.000 0.717 CB 1.507 54 residues pruned to eliminate duplicates Z: 27 25.433 2.070 0.702 0.531 1.000 0.615 CB 1.374 27 residues pruned to eliminate duplicates Z: 51 44.965 2.162 0.905 0.557 0.940 0.680 CB 1.555 51 residues pruned to eliminate duplicates Z: 28 18.235 1.961 0.675 0.428 0.889 0.519 CB 1.294 28 residues pruned to eliminate duplicates Z: 56 47.477 2.115 0.992 0.559 0.964 0.527 CB 1.489 56 residues pruned to eliminate duplicates Z: 18 12.445 1.904 0.460 0.469 0.882 0.588 CB 1.270 18 residues pruned to eliminate duplicates Z: 53 32.437 2.048 0.886 0.452 0.865 0.519 CB 1.413 53 residues pruned to eliminate duplicates Z: 17 13.682 1.934 0.514 0.506 0.938 0.312 CB 1.239 17 residues pruned to eliminate duplicates Z: 64 45.003 2.071 0.875 0.611 0.952 0.746 CB 1.381 64 residues pruned to eliminate duplicates Z: 26 26.437 2.095 0.720 0.546 1.000 0.720 CB 1.402 26 residues pruned to eliminate duplicates Z: 93 66.187 2.147 1.001 0.633 0.935 0.652 CB 1.517 93 residues pruned to eliminate duplicates Z: 28 20.973 2.024 0.586 0.479 0.926 0.519 CB 1.387 28 residues pruned to eliminate duplicates Z: 68 51.928 2.118 0.965 0.573 0.940 0.716 CB 1.511 68 residues pruned to eliminate duplicates Z: 53 58.608 2.184 1.102 0.653 1.000 0.769 CB 1.536 53 residues pruned to eliminate duplicates Z: 55 49.634 2.138 0.904 0.631 0.981 0.667 CB 1.495 55 residues pruned to eliminate duplicates Z: 26 25.177 2.081 0.726 0.550 0.960 0.600 CB 1.392 26 residues pruned to eliminate duplicates Z: 54 56.149 2.156 1.118 0.658 0.962 0.717 CB 1.516 54 residues pruned to eliminate duplicates Z: 72 47.458 2.065 0.944 0.556 0.915 0.606 CB 1.450 72 residues pruned to eliminate duplicates Z: 28 22.271 1.992 0.815 0.518 0.852 0.630 CB 1.368 28 residues pruned to eliminate duplicates Z: 16 18.070 2.013 1.002 0.456 0.800 0.600 CB 1.514 16 residues pruned to eliminate duplicates Z: 26 28.713 2.086 0.899 0.537 1.000 0.560 CB 1.397 26 residues pruned to eliminate duplicates Z: 54 52.201 2.135 1.120 0.638 0.943 0.736 CB 1.476 54 residues pruned to eliminate duplicates Z: 57 50.917 2.079 1.108 0.604 0.946 0.625 CB 1.486 57 residues pruned to eliminate duplicates Z: 21 20.140 2.006 0.752 0.508 0.900 0.650 CB 1.413 21 residues pruned to eliminate duplicates Z: 6 6.622 1.736 0.161 0.875 0.800 0.800 CB 1.336 6 residues pruned to eliminate duplicates Z: 7 5.852 1.645 0.235 0.870 0.833 0.833 CB 1.030 6 residues pruned to eliminate duplicates Z: 10 8.008 1.470 0.267 0.841 1.000 0.667 CB 1.069 10 residues pruned to eliminate duplicates Z: 11 7.252 1.491 0.356 0.798 0.900 0.500 CB 0.971 10 residues pruned to eliminate duplicates Z: 11 6.570 1.490 0.203 0.773 0.900 0.700 CB 1.012 11 residues pruned to eliminate duplicates Z: 9 5.807 1.553 0.060 0.766 1.000 0.375 CB 0.985 9 residues pruned to eliminate duplicates Z: 6 3.573 1.589 0.604 0.308 0.800 0.600 CA 0.970 6 residues pruned to eliminate duplicates Z: 6 5.491 1.511 0.543 0.418 1.000 0.400 CB 1.147 6 residues pruned to eliminate duplicates Z: 27 22.163 1.907 0.794 0.545 0.846 0.577 CB 1.436 34 residues pruned to eliminate duplicates Z: 6 7.454 1.900 0.778 0.243 0.800 0.400 CA 1.659 6 residues pruned to eliminate duplicates Z: 16 15.629 1.898 0.657 0.438 1.000 0.400 CB 1.367 16 residues pruned to eliminate duplicates Z: 15 18.905 1.917 0.834 0.519 1.000 0.714 CB 1.410 15 residues pruned to eliminate duplicates Z: 14 15.141 2.008 0.700 0.450 0.846 0.615 CB 1.530 14 residues pruned to eliminate duplicates Z: 13 17.875 2.067 0.643 0.479 1.000 0.667 CB 1.552 13 residues pruned to eliminate duplicates Z: 15 17.005 1.959 0.700 0.470 0.929 0.571 CB 1.516 15 residues pruned to eliminate duplicates Z: 21 26.122 2.070 1.080 0.506 0.900 0.550 CB 1.498 14 residues pruned to eliminate duplicates Z: 6 2.597 1.233 0.337 0.320 1.000 0.600 CA 0.859 6 residues pruned to eliminate duplicates Z: 23 17.209 2.020 0.517 0.531 0.955 0.636 CB 1.217 39 residues pruned to eliminate duplicates Z: 14 9.154 1.850 0.520 0.471 0.923 0.538 CB 1.007 Z: 6 6.151 1.619 0.893 0.446 0.800 0.800 CA 1.186 6 residues pruned to eliminate duplicates Z: 40 37.337 2.042 0.768 0.783 1.000 0.615 CB 1.291 39 residues pruned to eliminate duplicates Z: 6 8.721 1.900 0.634 0.350 1.000 0.600 CA 1.479 6 residues pruned to eliminate duplicates Z: 34 32.638 2.068 0.730 0.746 0.909 0.697 CB 1.402 35 residues pruned to eliminate duplicates Z: 6 9.603 1.797 0.751 0.407 1.000 0.800 N 1.505 6 residues pruned to eliminate duplicates Z: 46 37.109 2.055 0.667 0.747 0.933 0.644 CB 1.388 46 residues pruned to eliminate duplicates Z: 20 23.612 2.019 0.751 0.628 1.000 0.789 CB 1.358 20 residues pruned to eliminate duplicates Z: 16 21.724 2.080 0.911 0.595 1.000 0.867 CB 1.289 16 residues pruned to eliminate duplicates Z: 37 30.667 2.069 0.576 0.779 0.889 0.750 CB 1.378 37 residues pruned to eliminate duplicates Z: 38 36.186 2.075 0.628 0.799 0.973 0.757 CB 1.393 38 residues pruned to eliminate duplicates Z: 17 22.880 2.097 0.886 0.666 1.000 0.688 CB 1.240 17 residues pruned to eliminate duplicates Z: 47 34.229 2.024 0.646 0.674 0.957 0.630 CB 1.349 47 residues pruned to eliminate duplicates Z: 38 39.106 2.074 0.804 0.802 0.946 0.595 CB 1.395 38 residues pruned to eliminate duplicates Z: 38 37.073 2.077 0.721 0.808 0.973 0.703 CB 1.339 38 residues pruned to eliminate duplicates Z: 37 41.992 2.089 0.880 0.817 1.000 0.639 CB 1.352 37 residues pruned to eliminate duplicates Z: 38 37.939 2.076 0.776 0.811 0.973 0.649 CB 1.326 38 residues pruned to eliminate duplicates Z: 39 27.877 2.046 0.608 0.719 0.868 0.421 CB 1.298 13 residues pruned to eliminate duplicates Z: 26 28.620 1.995 0.742 0.907 0.960 0.600 CB 1.219 27 residues pruned to eliminate duplicates Z: 25 26.235 2.001 0.581 0.914 0.958 0.625 CB 1.249 25 residues pruned to eliminate duplicates Z: 25 28.481 1.980 0.872 0.900 0.917 0.500 CB 1.222 25 residues pruned to eliminate duplicates Z: 38 37.204 2.079 0.736 0.762 0.973 0.784 CB 1.380 77 residues pruned to eliminate duplicates Z: 23 24.939 2.006 0.578 0.851 0.909 0.500 CB 1.368 Z: 27 28.834 1.956 0.606 0.902 1.000 0.692 CB 1.284 23 residues pruned to eliminate duplicates Z: 22 26.092 2.027 0.527 0.867 0.952 0.524 CB 1.413 22 residues pruned to eliminate duplicates Z: 38 26.759 2.013 0.653 0.685 0.865 0.459 CB 1.290 25 residues pruned to eliminate duplicates Z: 24 29.458 2.005 0.787 0.887 0.913 0.565 CB 1.354 24 residues pruned to eliminate duplicates Z: 39 35.990 2.024 0.813 0.718 0.974 0.684 CB 1.341 79 residues pruned to eliminate duplicates Z: 52 41.085 2.087 0.726 0.721 0.961 0.706 CB 1.361 52 residues pruned to eliminate duplicates Z: 38 38.544 2.084 0.721 0.792 1.000 0.703 CB 1.368 38 residues pruned to eliminate duplicates Z: 47 37.487 2.056 0.718 0.720 0.957 0.696 CB 1.341 47 residues pruned to eliminate duplicates Z: 20 16.177 1.898 0.702 0.732 0.737 0.368 CB 1.266 Z: 26 26.850 2.018 0.582 0.881 0.960 0.640 CB 1.269 20 residues pruned to eliminate duplicates Z: 26 26.031 1.954 0.476 0.878 1.000 0.680 CB 1.310 25 residues pruned to eliminate duplicates Z: 26 28.591 2.013 0.672 0.869 0.960 0.560 CB 1.293 27 residues pruned to eliminate duplicates Z: 11 14.694 1.929 0.731 0.828 0.900 0.500 CB 1.164 11 residues pruned to eliminate duplicates 316 residues left after pruning, divided into chains as follows: A: 12 B: 11 C: 10 D: 9 E: 13 F: 22 G: 213 H: 26 CC for partial structure against native data = 28.54 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.444, Connect. = 0.724 for dens.mod. cycle 1 = 0.300, Contrast = 0.512, Connect. = 0.747 for dens.mod. cycle 2 = 0.300, Contrast = 0.589, Connect. = 0.777 for dens.mod. cycle 3 = 0.300, Contrast = 0.594, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.602, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.605, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.610, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.611, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.614, Connect. = 0.789 for dens.mod. cycle 9 = 0.300, Contrast = 0.614, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2363 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 546 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 24.738 1.999 0.802 0.683 1.000 0.882 CB 1.408 B: 11 29.444 2.042 1.052 0.901 1.000 0.900 CB 1.587 C: 48 56.400 2.259 0.975 0.704 0.936 0.702 CB 1.636 D: 51 63.253 2.288 0.947 0.732 0.960 0.620 CB 1.699 48 residues pruned to eliminate duplicates E: 18 35.636 2.205 0.800 0.934 1.000 0.941 CB 1.518 F: 56 50.353 2.186 0.916 0.564 0.964 0.709 CB 1.581 G: 11 11.846 2.012 0.555 0.368 0.900 0.900 CA 1.532 H: 53 46.002 2.092 0.891 0.698 0.923 0.673 CB 1.458 11 residues pruned to eliminate duplicates I: 30 38.731 2.114 0.908 0.819 1.000 0.828 CB 1.352 J: 9 12.412 2.143 0.802 0.392 0.875 0.625 CB 1.456 9 residues pruned to eliminate duplicates K: 52 48.653 2.212 0.905 0.615 0.941 0.647 CB 1.541 53 residues pruned to eliminate duplicates L: 47 37.315 2.076 0.803 0.712 0.935 0.696 CB 1.297 41 residues pruned to eliminate duplicates M: 57 49.279 2.171 1.064 0.590 0.893 0.625 CB 1.510 57 residues pruned to eliminate duplicates N: 28 45.737 2.297 0.961 0.721 0.963 0.889 CB 1.663 19 residues pruned to eliminate duplicates O: 37 34.033 2.055 0.813 0.733 0.972 0.694 CB 1.270 37 residues pruned to eliminate duplicates P: 17 38.037 2.186 1.085 0.917 1.000 0.812 CB 1.472 17 residues pruned to eliminate duplicates Q: 20 22.082 1.957 0.863 0.650 0.947 0.684 CB 1.276 20 residues pruned to eliminate duplicates R: 28 44.322 2.201 0.722 0.892 1.000 0.630 CB 1.617 28 residues pruned to eliminate duplicates S: 17 28.490 2.170 0.609 0.930 1.000 0.938 CB 1.426 17 residues pruned to eliminate duplicates T: 23 26.577 2.137 0.422 0.860 1.000 0.818 CB 1.371 17 residues pruned to eliminate duplicates U: 37 29.887 2.022 0.620 0.694 0.972 0.583 CB 1.310 19 residues pruned to eliminate duplicates V: 54 47.719 2.230 0.832 0.574 0.925 0.623 CB 1.616 54 residues pruned to eliminate duplicates W: 14 29.855 1.998 1.266 0.795 0.923 0.923 CA 1.530 14 residues pruned to eliminate duplicates X: 20 35.318 2.106 0.908 0.857 1.000 0.737 CB 1.485 24 residues pruned to eliminate duplicates Y: 41 49.498 2.231 1.007 0.649 0.925 0.725 CB 1.644 41 residues pruned to eliminate duplicates Z: 43 36.202 2.128 0.703 0.625 0.929 0.738 CB 1.476 9 residues pruned to eliminate duplicates Z: 14 19.920 2.076 0.877 0.580 0.923 0.692 CB 1.422 14 residues pruned to eliminate duplicates Z: 10 22.325 2.284 0.623 0.925 1.000 0.889 CB 1.408 10 residues pruned to eliminate duplicates Z: 43 35.705 2.137 0.744 0.597 0.905 0.738 CB 1.490 43 residues pruned to eliminate duplicates Z: 44 39.327 2.119 0.851 0.612 0.977 0.674 CB 1.408 45 residues pruned to eliminate duplicates Z: 17 30.881 2.182 0.673 0.935 1.000 0.938 CB 1.474 17 residues pruned to eliminate duplicates Z: 17 35.653 2.291 1.060 0.928 0.875 0.500 CB 1.511 17 residues pruned to eliminate duplicates Z: 12 15.694 1.968 0.934 0.498 0.818 0.545 CB 1.522 Z: 98 52.516 2.117 0.784 0.560 0.928 0.680 CB 1.436 159 residues pruned to eliminate duplicates Z: 16 35.426 2.210 1.038 0.875 1.000 0.800 CB 1.477 16 residues pruned to eliminate duplicates Z: 16 49.857 2.369 1.291 0.936 1.000 0.867 CB 1.653 19 residues pruned to eliminate duplicates Z: 32 28.925 1.977 0.607 0.757 0.968 0.871 CB 1.344 Z: 29 45.561 2.192 0.739 0.887 1.000 0.821 CB 1.629 29 residues pruned to eliminate duplicates Z: 55 44.755 2.208 0.680 0.562 0.944 0.630 CB 1.636 55 residues pruned to eliminate duplicates Z: 16 19.359 2.189 0.704 0.461 0.933 0.867 CB 1.494 Z: 69 56.124 2.174 0.928 0.594 0.971 0.735 CB 1.530 69 residues pruned to eliminate duplicates Z: 8 8.822 2.101 0.568 0.319 0.714 0.429 CB 1.729 8 residues pruned to eliminate duplicates Z: 16 34.610 2.351 0.662 0.944 1.000 1.000 CB 1.584 16 residues pruned to eliminate duplicates Z: 27 46.860 2.260 0.822 0.877 1.000 0.615 CB 1.621 27 residues pruned to eliminate duplicates Z: 118 71.996 2.154 0.882 0.613 0.940 0.624 CB 1.569 78 residues pruned to eliminate duplicates Z: 11 15.744 2.015 0.514 0.760 0.900 0.600 CB 1.439 11 residues pruned to eliminate duplicates Z: 18 41.183 2.281 0.868 0.925 1.000 0.882 CB 1.645 18 residues pruned to eliminate duplicates Z: 101 71.726 2.223 0.871 0.672 0.930 0.630 CB 1.582 101 residues pruned to eliminate duplicates Z: 29 46.756 2.171 0.857 0.835 1.000 0.536 CB 1.643 29 residues pruned to eliminate duplicates Z: 26 53.283 2.303 1.003 0.903 0.960 0.880 CB 1.715 26 residues pruned to eliminate duplicates Z: 17 28.226 2.126 0.902 0.906 1.000 0.938 CB 1.241 17 residues pruned to eliminate duplicates Z: 6 8.973 1.991 0.460 0.555 0.800 0.400 C 1.635 6 residues pruned to eliminate duplicates Z: 44 36.725 2.154 0.768 0.578 0.953 0.651 CB 1.431 44 residues pruned to eliminate duplicates Z: 27 34.433 2.229 0.551 0.888 0.885 0.654 CB 1.590 27 residues pruned to eliminate duplicates Z: 28 36.483 2.204 0.763 0.873 0.815 0.593 CB 1.615 28 residues pruned to eliminate duplicates Z: 14 29.030 1.936 1.429 0.739 0.923 0.846 CB 1.497 14 residues pruned to eliminate duplicates Z: 19 38.821 2.214 1.040 0.864 1.000 0.611 CB 1.486 19 residues pruned to eliminate duplicates Z: 83 73.635 2.259 0.954 0.700 0.951 0.671 CB 1.613 83 residues pruned to eliminate duplicates Z: 28 46.092 2.232 0.835 0.828 0.963 0.556 CB 1.695 28 residues pruned to eliminate duplicates Z: 29 36.679 2.131 0.617 0.857 0.929 0.750 CB 1.596 29 residues pruned to eliminate duplicates Z: 17 29.773 2.175 1.038 0.919 0.938 0.500 CB 1.263 17 residues pruned to eliminate duplicates Z: 19 32.567 2.182 0.677 0.877 1.000 0.722 CB 1.525 19 residues pruned to eliminate duplicates Z: 13 20.985 2.167 0.716 0.651 0.917 0.833 CB 1.544 13 residues pruned to eliminate duplicates Z: 13 16.654 1.955 0.808 0.479 0.917 0.583 CB 1.516 12 residues pruned to eliminate duplicates Z: 13 18.346 2.083 0.676 0.538 0.917 0.750 CB 1.595 13 residues pruned to eliminate duplicates Z: 27 33.197 2.205 0.650 0.859 0.846 0.577 CB 1.557 27 residues pruned to eliminate duplicates Z: 55 56.462 2.211 0.943 0.697 0.926 0.648 CB 1.615 55 residues pruned to eliminate duplicates Z: 12 9.957 1.922 0.732 0.504 0.818 0.636 CB 1.099 12 residues pruned to eliminate duplicates Z: 18 16.760 1.913 0.906 0.431 0.941 0.647 CB 1.273 18 residues pruned to eliminate duplicates Z: 43 38.133 2.153 0.817 0.646 0.929 0.714 CB 1.414 43 residues pruned to eliminate duplicates Z: 14 30.627 2.018 1.386 0.768 0.923 0.769 CB 1.508 14 residues pruned to eliminate duplicates Z: 27 33.483 2.055 0.713 0.914 0.885 0.577 CB 1.492 27 residues pruned to eliminate duplicates Z: 93 72.178 2.249 0.868 0.695 0.957 0.598 CB 1.567 93 residues pruned to eliminate duplicates Z: 83 59.204 2.136 1.009 0.603 0.951 0.573 CB 1.453 83 residues pruned to eliminate duplicates Z: 107 67.893 2.141 0.883 0.619 0.943 0.745 CB 1.550 107 residues pruned to eliminate duplicates Z: 95 71.628 2.229 0.933 0.676 0.926 0.553 CB 1.576 95 residues pruned to eliminate duplicates Z: 16 18.946 1.895 0.393 0.877 1.000 0.867 CB 1.346 16 residues pruned to eliminate duplicates Z: 17 34.758 2.217 0.810 0.926 0.938 0.875 CB 1.620 17 residues pruned to eliminate duplicates Z: 29 42.485 2.158 0.771 0.867 0.929 0.714 CB 1.655 29 residues pruned to eliminate duplicates Z: 28 44.251 2.203 0.789 0.872 0.963 0.778 CB 1.636 28 residues pruned to eliminate duplicates Z: 16 21.123 1.895 0.542 0.895 1.000 0.867 CB 1.338 16 residues pruned to eliminate duplicates Z: 17 35.711 2.174 1.262 0.931 1.000 0.750 CB 1.269 17 residues pruned to eliminate duplicates Z: 25 25.652 2.053 0.512 0.874 1.000 0.625 CB 1.228 25 residues pruned to eliminate duplicates Z: 21 34.534 2.057 0.882 0.846 0.950 0.750 CB 1.560 21 residues pruned to eliminate duplicates Z: 31 46.120 2.244 0.941 0.770 0.967 0.767 CB 1.575 31 residues pruned to eliminate duplicates Z: 18 39.085 2.238 1.059 0.925 1.000 0.882 CB 1.444 18 residues pruned to eliminate duplicates Z: 23 35.863 2.152 0.966 0.881 0.909 0.773 CB 1.439 23 residues pruned to eliminate duplicates Z: 30 39.733 2.132 1.029 0.795 0.966 0.793 CB 1.364 32 residues pruned to eliminate duplicates Z: 28 42.258 2.228 0.686 0.865 0.963 0.704 CB 1.647 28 residues pruned to eliminate duplicates Z: 18 24.759 2.047 0.650 0.913 1.000 0.529 CB 1.258 18 residues pruned to eliminate duplicates Z: 30 42.716 2.092 0.788 0.873 0.966 0.759 CB 1.599 30 residues pruned to eliminate duplicates Z: 17 38.183 2.201 1.148 0.926 1.000 0.812 CB 1.416 17 residues pruned to eliminate duplicates Z: 27 35.552 2.203 0.537 0.873 0.923 0.538 CB 1.624 27 residues pruned to eliminate duplicates Z: 26 47.574 2.307 0.795 0.901 0.960 0.560 CB 1.708 26 residues pruned to eliminate duplicates Z: 27 39.459 2.058 0.808 0.901 1.000 0.731 CB 1.485 27 residues pruned to eliminate duplicates Z: 26 41.873 2.060 0.871 0.910 1.000 0.680 CB 1.541 26 residues pruned to eliminate duplicates Z: 27 44.747 2.279 0.629 0.917 1.000 0.577 CB 1.668 27 residues pruned to eliminate duplicates Z: 25 39.752 2.323 0.635 0.858 0.917 0.583 CB 1.716 25 residues pruned to eliminate duplicates Z: 27 36.525 2.148 0.871 0.762 0.962 0.885 CB 1.469 27 residues pruned to eliminate duplicates Z: 9 8.497 2.016 0.066 0.882 1.000 0.625 CB 1.011 9 residues pruned to eliminate duplicates Z: 29 40.491 2.174 0.678 0.865 0.964 0.464 CB 1.594 29 residues pruned to eliminate duplicates Z: 28 23.887 1.952 0.618 0.866 0.889 0.630 CB 1.198 18 residues pruned to eliminate duplicates Z: 23 22.048 2.058 0.727 0.554 0.909 0.727 CB 1.381 23 residues pruned to eliminate duplicates Z: 18 47.368 2.297 1.415 0.918 1.000 0.647 CB 1.460 18 residues pruned to eliminate duplicates Z: 25 33.709 2.110 0.604 0.895 1.000 0.667 CB 1.457 25 residues pruned to eliminate duplicates Z: 26 29.350 2.089 0.582 0.773 0.960 0.800 CB 1.453 26 residues pruned to eliminate duplicates Z: 10 23.960 2.177 0.894 0.824 1.000 0.889 CB 1.463 10 residues pruned to eliminate duplicates Z: 24 32.278 2.050 0.727 0.881 0.913 0.783 CB 1.508 24 residues pruned to eliminate duplicates Z: 25 39.138 2.129 0.725 0.915 1.000 0.792 CB 1.538 25 residues pruned to eliminate duplicates Z: 21 35.649 2.259 1.260 0.726 0.950 0.500 CB 1.341 21 residues pruned to eliminate duplicates Z: 26 24.245 1.980 0.540 0.869 0.960 0.720 CB 1.210 24 residues pruned to eliminate duplicates Z: 41 51.506 2.221 0.828 0.745 0.975 0.575 CB 1.652 41 residues pruned to eliminate duplicates Z: 28 43.660 2.175 0.746 0.881 0.963 0.741 CB 1.663 28 residues pruned to eliminate duplicates Z: 28 47.206 2.319 0.926 0.732 0.963 0.815 CB 1.714 28 residues pruned to eliminate duplicates Z: 10 12.876 2.046 0.330 0.745 0.889 0.556 CB 1.425 10 residues pruned to eliminate duplicates Z: 71 53.613 2.110 0.925 0.571 0.971 0.629 CB 1.517 71 residues pruned to eliminate duplicates Z: 11 21.975 2.146 0.865 0.720 0.900 0.500 CA 1.582 11 residues pruned to eliminate duplicates Z: 12 29.548 2.295 0.930 0.739 0.909 0.818 CB 1.786 12 residues pruned to eliminate duplicates Z: 13 22.755 2.083 1.196 0.587 0.917 0.667 CB 1.441 13 residues pruned to eliminate duplicates Z: 31 33.389 2.082 0.817 0.761 1.000 0.733 CB 1.278 31 residues pruned to eliminate duplicates Z: 13 11.690 1.873 0.499 0.472 0.833 0.583 CB 1.483 13 residues pruned to eliminate duplicates Z: 16 15.326 2.048 0.763 0.417 0.800 0.400 CA 1.493 16 residues pruned to eliminate duplicates Z: 14 11.907 1.924 0.435 0.443 1.000 0.769 CB 1.269 14 residues pruned to eliminate duplicates Z: 11 14.193 1.969 0.144 0.778 1.000 0.700 CA 1.559 11 residues pruned to eliminate duplicates Z: 16 27.258 2.209 0.583 0.937 1.000 1.000 CB 1.402 16 residues pruned to eliminate duplicates Z: 17 32.546 2.181 0.986 0.925 1.000 0.750 CB 1.318 17 residues pruned to eliminate duplicates Z: 29 43.922 2.189 0.791 0.871 0.964 0.607 CB 1.601 29 residues pruned to eliminate duplicates Z: 51 51.966 2.204 1.043 0.623 0.940 0.760 CB 1.546 51 residues pruned to eliminate duplicates Z: 13 30.819 2.085 1.427 0.714 1.000 0.833 CB 1.448 13 residues pruned to eliminate duplicates Z: 23 20.948 2.036 0.614 0.908 0.909 0.500 CB 1.062 23 residues pruned to eliminate duplicates Z: 21 21.220 2.019 0.745 0.613 0.900 0.800 CB 1.345 21 residues pruned to eliminate duplicates Z: 14 26.148 2.009 0.951 0.782 0.923 0.769 CB 1.563 14 residues pruned to eliminate duplicates Z: 10 9.242 1.897 0.384 0.885 0.889 0.778 CB 0.954 10 residues pruned to eliminate duplicates Z: 25 23.131 2.055 0.351 0.911 0.958 0.750 CB 1.258 25 residues pruned to eliminate duplicates Z: 13 11.931 1.875 0.878 0.518 0.833 0.667 CB 1.153 13 residues pruned to eliminate duplicates Z: 26 23.754 2.047 0.532 0.871 0.920 0.800 CB 1.201 26 residues pruned to eliminate duplicates Z: 15 26.012 1.963 0.715 0.934 1.000 0.857 CB 1.440 15 residues pruned to eliminate duplicates Z: 14 17.873 2.211 0.659 0.568 0.846 0.538 CB 1.496 14 residues pruned to eliminate duplicates Z: 25 25.828 2.058 0.586 0.885 1.000 0.750 CB 1.167 25 residues pruned to eliminate duplicates Z: 39 49.592 2.104 0.852 0.821 1.000 0.868 CB 1.563 39 residues pruned to eliminate duplicates Z: 10 30.766 2.210 1.278 0.889 0.889 0.778 CB 1.650 10 residues pruned to eliminate duplicates Z: 16 10.841 1.852 0.285 0.510 1.000 0.600 CB 1.165 Z: 11 12.165 2.008 0.183 0.804 0.900 0.700 CB 1.379 11 residues pruned to eliminate duplicates Z: 11 13.471 1.846 0.625 0.839 1.000 0.800 CB 1.060 11 residues pruned to eliminate duplicates Z: 27 35.849 2.035 0.703 0.916 0.962 0.615 CB 1.490 27 residues pruned to eliminate duplicates Z: 17 18.351 1.843 0.411 0.932 1.000 0.812 CB 1.232 17 residues pruned to eliminate duplicates Z: 37 35.439 2.118 0.628 0.797 1.000 0.667 CB 1.321 36 residues pruned to eliminate duplicates Z: 17 31.542 2.213 0.813 0.881 0.938 0.750 CB 1.518 17 residues pruned to eliminate duplicates Z: 20 22.251 2.045 0.464 0.834 0.947 0.737 CB 1.349 20 residues pruned to eliminate duplicates Z: 28 41.008 2.208 0.691 0.855 0.963 0.704 CB 1.620 28 residues pruned to eliminate duplicates Z: 11 22.774 2.002 0.896 0.879 0.900 0.700 CB 1.528 11 residues pruned to eliminate duplicates Z: 26 29.057 2.024 0.851 0.890 0.920 0.640 CB 1.212 26 residues pruned to eliminate duplicates Z: 25 25.748 2.026 0.630 0.865 0.917 0.667 CB 1.272 27 residues pruned to eliminate duplicates Z: 18 23.889 1.880 1.061 0.613 0.941 0.706 CB 1.428 18 residues pruned to eliminate duplicates Z: 10 28.164 2.159 0.851 0.902 1.000 0.889 CB 1.676 10 residues pruned to eliminate duplicates Z: 25 28.279 2.061 0.620 0.896 1.000 0.500 CB 1.238 25 residues pruned to eliminate duplicates Z: 40 37.610 2.082 0.822 0.771 0.949 0.744 CB 1.317 40 residues pruned to eliminate duplicates Z: 18 36.494 2.254 1.147 0.866 0.882 0.647 CB 1.517 18 residues pruned to eliminate duplicates Z: 11 13.981 2.085 0.302 0.782 0.900 0.700 CB 1.411 11 residues pruned to eliminate duplicates Z: 11 18.172 2.035 0.440 0.797 0.900 0.900 CA 1.679 11 residues pruned to eliminate duplicates Z: 8 16.131 2.060 0.276 0.893 1.000 0.714 CB 1.665 8 residues pruned to eliminate duplicates Z: 39 31.647 2.040 0.497 0.765 1.000 0.632 CB 1.329 39 residues pruned to eliminate duplicates Z: 43 39.167 2.164 0.858 0.613 0.952 0.667 CB 1.419 43 residues pruned to eliminate duplicates Z: 13 12.978 1.995 0.516 0.456 0.833 0.583 CB 1.555 13 residues pruned to eliminate duplicates Z: 38 35.040 2.098 0.605 0.813 0.973 0.865 CB 1.339 38 residues pruned to eliminate duplicates Z: 26 23.215 2.053 0.513 0.873 0.960 0.560 CB 1.134 26 residues pruned to eliminate duplicates Z: 27 35.124 2.208 0.666 0.900 0.846 0.385 CB 1.581 27 residues pruned to eliminate duplicates Z: 42 34.656 2.065 0.818 0.733 0.927 0.683 CB 1.261 42 residues pruned to eliminate duplicates Z: 13 13.933 1.777 0.881 0.523 0.917 0.667 CB 1.283 Z: 28 26.562 1.980 0.638 0.877 0.926 0.704 CB 1.237 28 residues pruned to eliminate duplicates Z: 27 41.540 2.169 0.759 0.875 0.962 0.692 CB 1.615 27 residues pruned to eliminate duplicates Z: 83 75.370 2.269 0.962 0.691 0.963 0.671 CB 1.630 83 residues pruned to eliminate duplicates Z: 51 37.128 2.049 0.751 0.694 0.940 0.600 CB 1.304 88 residues pruned to eliminate duplicates Z: 30 27.668 2.017 0.749 0.591 0.966 0.690 CB 1.383 30 residues pruned to eliminate duplicates Z: 8 3.335 1.721 0.397 0.345 0.571 0.429 CB 1.086 Z: 27 36.992 2.032 0.861 0.866 0.923 0.692 CB 1.521 27 residues pruned to eliminate duplicates Z: 10 13.360 1.922 0.536 0.802 0.889 0.778 CB 1.303 10 residues pruned to eliminate duplicates Z: 28 45.007 2.171 0.894 0.878 0.926 0.667 CA 1.651 28 residues pruned to eliminate duplicates Z: 55 51.412 2.212 0.924 0.581 0.944 0.722 CB 1.611 55 residues pruned to eliminate duplicates Z: 52 58.198 2.207 1.092 0.673 0.961 0.804 CB 1.567 63 residues pruned to eliminate duplicates Z: 7 6.534 1.602 0.538 0.534 0.833 0.667 CA 1.257 Z: 43 39.494 2.162 0.874 0.631 0.929 0.690 CB 1.432 43 residues pruned to eliminate duplicates Z: 23 14.493 2.075 0.661 0.377 0.818 0.455 CB 1.249 23 residues pruned to eliminate duplicates Z: 19 41.903 2.214 1.063 0.908 1.000 0.722 CB 1.536 19 residues pruned to eliminate duplicates Z: 6 3.055 1.440 0.625 0.361 0.600 0.400 C 1.131 6 residues pruned to eliminate duplicates Z: 11 6.809 1.849 0.080 0.376 0.900 0.300 CB 1.367 Z: 25 35.432 2.061 0.930 0.867 0.875 0.583 CB 1.520 25 residues pruned to eliminate duplicates Z: 28 32.397 2.067 0.816 0.707 0.926 0.778 CB 1.486 28 residues pruned to eliminate duplicates Z: 28 39.437 2.219 0.648 0.879 0.926 0.630 CB 1.625 28 residues pruned to eliminate duplicates Z: 16 11.755 1.844 0.533 0.521 0.933 0.600 CB 1.127 16 residues pruned to eliminate duplicates Z: 38 35.074 2.045 0.703 0.768 0.973 0.730 CB 1.342 Z: 27 37.073 2.014 0.900 0.868 0.923 0.577 CB 1.505 27 residues pruned to eliminate duplicates Z: 17 31.461 2.141 0.903 0.917 1.000 0.875 CB 1.362 17 residues pruned to eliminate duplicates Z: 35 31.837 1.970 0.804 0.750 0.941 0.794 CB 1.306 35 residues pruned to eliminate duplicates Z: 38 37.839 2.088 0.706 0.767 1.000 0.595 CB 1.379 38 residues pruned to eliminate duplicates Z: 12 16.149 2.056 0.609 0.836 0.909 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 14 11.494 1.745 0.828 0.427 0.923 0.615 CB 1.168 Z: 42 36.673 2.163 0.770 0.613 0.902 0.634 CB 1.490 42 residues pruned to eliminate duplicates Z: 28 38.189 2.176 0.584 0.890 0.963 0.630 CB 1.593 28 residues pruned to eliminate duplicates Z: 18 35.127 2.252 0.717 0.899 1.000 1.000 CB 1.575 18 residues pruned to eliminate duplicates Z: 27 25.106 1.969 0.679 0.892 0.962 0.654 CB 1.112 27 residues pruned to eliminate duplicates Z: 15 25.635 1.966 0.696 0.917 1.000 0.929 CB 1.449 15 residues pruned to eliminate duplicates Z: 15 17.440 1.805 1.099 0.511 0.929 0.643 CA 1.311 13 residues pruned to eliminate duplicates Z: 24 20.111 2.149 0.658 0.528 0.826 0.391 CB 1.385 24 residues pruned to eliminate duplicates Z: 10 15.089 1.979 0.662 0.855 0.889 0.556 CB 1.269 10 residues pruned to eliminate duplicates Z: 18 31.950 2.217 0.678 0.881 0.941 0.882 CB 1.603 18 residues pruned to eliminate duplicates Z: 54 59.842 2.231 0.926 0.715 0.962 0.736 CB 1.637 54 residues pruned to eliminate duplicates Z: 116 76.367 2.162 0.953 0.649 0.939 0.730 CB 1.563 121 residues pruned to eliminate duplicates Z: 9 10.127 1.883 0.305 0.890 0.875 0.875 CB 1.198 9 residues pruned to eliminate duplicates Z: 14 11.716 1.973 0.561 0.537 1.000 0.538 CB 1.017 14 residues pruned to eliminate duplicates Z: 54 48.932 2.202 0.805 0.696 0.906 0.604 CB 1.562 54 residues pruned to eliminate duplicates Z: 54 49.489 2.207 0.845 0.619 0.943 0.547 CB 1.582 54 residues pruned to eliminate duplicates Z: 14 21.052 1.880 0.840 0.848 1.000 0.769 CB 1.252 14 residues pruned to eliminate duplicates Z: 10 5.586 1.834 -0.063 0.577 1.000 0.556 CB 1.006 10 residues pruned to eliminate duplicates Z: 28 35.550 2.118 0.826 0.813 0.963 0.852 CB 1.399 28 residues pruned to eliminate duplicates Z: 11 4.617 1.557 0.083 0.453 0.900 0.500 N 1.010 Z: 28 35.013 1.968 0.962 0.875 0.926 0.481 CB 1.371 28 residues pruned to eliminate duplicates Z: 54 52.051 2.188 1.035 0.663 0.925 0.642 CB 1.494 54 residues pruned to eliminate duplicates Z: 28 25.352 2.069 0.703 0.481 0.926 0.630 CB 1.524 28 residues pruned to eliminate duplicates Z: 15 19.007 1.947 0.382 0.877 1.000 0.857 CB 1.371 15 residues pruned to eliminate duplicates Z: 20 37.323 2.110 0.923 0.877 0.947 0.789 CB 1.617 20 residues pruned to eliminate duplicates Z: 17 21.029 1.828 0.821 0.860 1.000 0.625 CB 1.161 17 residues pruned to eliminate duplicates Z: 41 36.507 2.067 0.901 0.784 0.950 0.650 CB 1.204 41 residues pruned to eliminate duplicates Z: 26 34.523 2.067 0.756 0.900 0.920 0.640 CB 1.477 26 residues pruned to eliminate duplicates Z: 82 72.219 2.271 0.880 0.708 0.963 0.741 CB 1.616 82 residues pruned to eliminate duplicates Z: 9 6.023 1.859 -0.014 0.477 1.000 0.625 CB 1.189 7 residues pruned to eliminate duplicates Z: 28 28.985 2.171 0.307 0.853 0.963 0.630 CB 1.508 28 residues pruned to eliminate duplicates Z: 21 15.542 1.862 0.612 0.565 0.900 0.750 CB 1.207 21 residues pruned to eliminate duplicates Z: 27 41.900 2.236 0.773 0.863 0.923 0.615 CB 1.647 27 residues pruned to eliminate duplicates Z: 25 26.234 2.061 0.529 0.886 0.958 0.667 CB 1.279 25 residues pruned to eliminate duplicates Z: 11 16.326 1.980 0.730 0.768 0.800 0.700 CB 1.485 11 residues pruned to eliminate duplicates Z: 8 4.486 1.670 -0.214 0.426 1.000 0.571 C 1.394 Z: 11 13.025 2.080 0.144 0.733 1.000 0.500 CB 1.403 11 residues pruned to eliminate duplicates Z: 68 39.300 2.071 0.730 0.597 0.910 0.627 CB 1.341 68 residues pruned to eliminate duplicates Z: 15 10.106 1.963 0.602 0.499 0.929 0.500 CB 0.926 17 residues pruned to eliminate duplicates Z: 16 23.047 1.885 0.796 0.941 1.000 0.867 CB 1.219 16 residues pruned to eliminate duplicates Z: 87 71.278 2.232 0.996 0.670 0.930 0.733 CB 1.585 87 residues pruned to eliminate duplicates Z: 9 11.523 1.924 0.422 0.803 1.000 0.625 CB 1.143 9 residues pruned to eliminate duplicates Z: 14 31.356 2.081 1.278 0.809 0.923 0.846 CB 1.519 14 residues pruned to eliminate duplicates Z: 9 18.439 2.232 0.394 0.823 1.000 0.625 CB 1.583 9 residues pruned to eliminate duplicates Z: 27 41.153 2.147 0.806 0.855 0.923 0.615 CB 1.664 27 residues pruned to eliminate duplicates Z: 17 20.774 2.124 0.714 0.518 0.938 0.625 CA 1.495 17 residues pruned to eliminate duplicates Z: 11 11.177 1.943 0.428 0.602 0.900 0.600 N 1.284 Z: 11 11.847 2.074 0.005 0.765 1.000 0.800 CB 1.421 11 residues pruned to eliminate duplicates Z: 25 24.549 2.019 0.530 0.880 1.000 0.583 CB 1.176 25 residues pruned to eliminate duplicates Z: 13 11.390 1.811 0.817 0.422 0.833 0.500 CB 1.301 13 residues pruned to eliminate duplicates Z: 28 38.523 2.195 0.711 0.829 0.963 0.444 CB 1.543 28 residues pruned to eliminate duplicates Z: 12 16.027 1.928 0.592 0.848 0.909 0.636 CB 1.284 12 residues pruned to eliminate duplicates Z: 6 4.096 1.393 0.137 0.659 1.000 0.600 N 0.998 Z: 28 25.766 1.944 0.658 0.887 1.000 0.704 CB 1.110 28 residues pruned to eliminate duplicates Z: 14 12.654 1.818 0.729 0.545 0.846 0.692 CA 1.263 14 residues pruned to eliminate duplicates Z: 49 28.132 1.984 0.681 0.625 0.896 0.562 CB 1.207 87 residues pruned to eliminate duplicates Z: 16 6.503 1.557 0.176 0.521 0.867 0.467 CB 1.036 Z: 15 21.945 1.943 0.917 0.690 0.929 0.643 CB 1.426 15 residues pruned to eliminate duplicates Z: 17 30.010 2.178 1.051 0.871 0.938 0.875 CB 1.306 17 residues pruned to eliminate duplicates Z: 26 21.691 1.974 0.384 0.862 1.000 0.640 CB 1.166 Z: 26 31.322 1.943 0.858 0.824 0.920 0.720 CB 1.424 26 residues pruned to eliminate duplicates Z: 25 28.506 2.059 0.659 0.850 0.958 0.625 CB 1.317 26 residues pruned to eliminate duplicates Z: 20 25.769 1.910 0.828 0.741 0.947 0.737 CB 1.440 20 residues pruned to eliminate duplicates Z: 12 4.175 1.685 0.133 0.492 0.818 0.364 CB 0.812 12 residues pruned to eliminate duplicates Z: 26 28.393 2.045 0.608 0.892 1.000 0.720 CB 1.240 25 residues pruned to eliminate duplicates Z: 6 2.706 1.763 -0.261 0.419 1.000 0.400 CB 1.011 Z: 27 32.375 1.986 0.946 0.899 0.962 0.692 CB 1.221 27 residues pruned to eliminate duplicates Z: 25 19.795 2.023 0.373 0.846 0.958 0.583 CB 1.128 25 residues pruned to eliminate duplicates Z: 16 23.175 1.880 0.555 0.911 1.000 0.933 CA 1.451 16 residues pruned to eliminate duplicates Z: 13 13.532 1.718 0.964 0.491 0.917 0.500 CB 1.275 10 residues pruned to eliminate duplicates Z: 19 18.474 2.067 0.684 0.453 0.889 0.611 CA 1.476 19 residues pruned to eliminate duplicates Z: 27 26.452 2.089 0.654 0.560 0.962 0.692 CB 1.473 27 residues pruned to eliminate duplicates Z: 26 23.738 2.053 0.567 0.844 0.960 0.800 CB 1.143 26 residues pruned to eliminate duplicates Z: 13 11.371 1.602 0.574 0.797 1.000 0.667 CB 1.003 13 residues pruned to eliminate duplicates Z: 19 28.247 1.944 0.750 0.910 1.000 0.500 CB 1.389 19 residues pruned to eliminate duplicates Z: 12 31.879 2.138 0.942 0.901 1.000 0.818 CA 1.653 12 residues pruned to eliminate duplicates Z: 7 3.039 1.749 0.132 0.268 0.667 0.333 CB 1.225 5 residues pruned to eliminate duplicates Z: 9 9.155 1.734 0.455 0.478 1.000 0.500 CB 1.312 9 residues pruned to eliminate duplicates Z: 14 10.415 1.798 0.600 0.449 0.846 0.462 CB 1.251 14 residues pruned to eliminate duplicates Z: 18 15.278 1.821 0.558 0.519 1.000 0.588 CB 1.282 18 residues pruned to eliminate duplicates Z: 7 6.206 1.649 0.089 0.793 1.000 0.667 CB 1.092 Z: 17 20.135 1.837 0.834 0.859 1.000 0.500 CB 1.100 17 residues pruned to eliminate duplicates Z: 54 48.171 2.218 0.825 0.574 0.943 0.660 CB 1.613 54 residues pruned to eliminate duplicates Z: 43 38.541 2.159 0.807 0.639 0.952 0.714 CB 1.405 43 residues pruned to eliminate duplicates Z: 10 5.788 1.819 -0.186 0.693 1.000 0.667 CB 1.092 10 residues pruned to eliminate duplicates Z: 14 35.962 2.301 1.096 0.910 0.923 0.308 CB 1.589 14 residues pruned to eliminate duplicates Z: 13 12.756 1.969 0.470 0.807 0.833 0.417 CB 1.168 13 residues pruned to eliminate duplicates Z: 7 5.189 1.789 0.386 0.317 0.833 0.500 CB 1.254 7 residues pruned to eliminate duplicates Z: 6 4.516 1.481 0.111 0.813 1.000 0.800 CB 0.934 Z: 8 4.434 1.606 -0.062 0.656 1.000 0.857 CB 0.963 Z: 16 20.735 1.906 0.630 0.918 1.000 0.867 CB 1.215 16 residues pruned to eliminate duplicates Z: 26 19.114 1.977 0.431 0.877 0.880 0.600 CB 1.116 26 residues pruned to eliminate duplicates Z: 20 8.798 1.906 0.326 0.400 0.737 0.316 CB 1.204 8 residues pruned to eliminate duplicates Z: 42 52.309 2.228 0.923 0.769 0.927 0.561 CB 1.621 42 residues pruned to eliminate duplicates Z: 40 49.650 2.101 0.933 0.805 0.974 0.846 CB 1.539 53 residues pruned to eliminate duplicates Z: 14 6.398 1.747 0.457 0.307 0.923 0.615 CB 0.936 14 residues pruned to eliminate duplicates Z: 41 40.784 2.185 0.822 0.620 0.925 0.625 CB 1.564 41 residues pruned to eliminate duplicates Z: 8 6.986 1.938 0.917 0.268 0.714 0.429 CB 1.295 8 residues pruned to eliminate duplicates Z: 48 34.486 2.042 0.691 0.734 0.957 0.638 CB 1.233 51 residues pruned to eliminate duplicates Z: 54 53.743 2.139 0.948 0.666 0.981 0.774 CB 1.548 54 residues pruned to eliminate duplicates Z: 29 48.431 2.294 1.028 0.720 0.964 0.857 CB 1.672 29 residues pruned to eliminate duplicates Z: 15 25.660 1.914 1.112 0.785 0.929 0.786 CB 1.421 15 residues pruned to eliminate duplicates Z: 12 14.399 1.989 0.849 0.467 0.909 0.636 CB 1.342 12 residues pruned to eliminate duplicates Z: 17 24.063 2.065 0.836 0.920 0.938 0.562 CB 1.192 17 residues pruned to eliminate duplicates Z: 24 29.870 2.048 0.661 0.875 1.000 0.652 CB 1.331 25 residues pruned to eliminate duplicates Z: 18 26.173 2.029 0.830 0.914 1.000 0.529 CB 1.209 18 residues pruned to eliminate duplicates Z: 25 27.656 2.060 0.687 0.888 1.000 0.667 CB 1.171 25 residues pruned to eliminate duplicates Z: 26 25.677 2.024 0.545 0.890 1.000 0.640 CB 1.181 26 residues pruned to eliminate duplicates Z: 40 39.583 2.181 0.752 0.655 0.949 0.744 CB 1.514 40 residues pruned to eliminate duplicates Z: 15 14.291 1.897 0.691 0.492 0.929 0.714 CB 1.292 15 residues pruned to eliminate duplicates Z: 22 20.241 1.813 0.848 0.721 0.952 0.667 CB 1.134 13 residues pruned to eliminate duplicates Z: 9 5.935 1.738 0.289 0.405 0.875 0.500 CB 1.182 8 residues pruned to eliminate duplicates Z: 11 7.447 1.960 0.233 0.451 0.800 0.500 CB 1.282 11 residues pruned to eliminate duplicates Z: 22 19.723 1.885 0.873 0.525 0.952 0.667 CB 1.249 22 residues pruned to eliminate duplicates Z: 32 28.261 2.026 0.568 0.731 0.968 0.806 CB 1.341 32 residues pruned to eliminate duplicates Z: 15 14.647 1.922 0.641 0.516 1.000 0.714 CB 1.221 16 residues pruned to eliminate duplicates Z: 15 21.503 1.924 0.542 0.913 1.000 1.000 CB 1.371 15 residues pruned to eliminate duplicates Z: 12 10.963 1.770 0.647 0.617 0.909 0.636 CB 1.116 13 residues pruned to eliminate duplicates Z: 7 7.022 1.738 0.297 0.669 0.833 0.833 CB 1.305 7 residues pruned to eliminate duplicates Z: 25 25.749 2.009 0.693 0.911 0.958 0.625 CB 1.143 25 residues pruned to eliminate duplicates Z: 19 12.582 1.951 0.438 0.337 0.778 0.500 CA 1.624 19 residues pruned to eliminate duplicates Z: 16 24.446 1.880 0.744 0.939 1.000 0.800 CB 1.338 16 residues pruned to eliminate duplicates Z: 10 8.065 1.807 0.326 0.447 0.778 0.556 N 1.525 Z: 28 20.893 1.911 0.541 0.834 0.852 0.778 CB 1.202 28 residues pruned to eliminate duplicates Z: 17 29.032 2.171 0.955 0.895 0.938 0.750 CB 1.307 17 residues pruned to eliminate duplicates Z: 6 7.920 1.752 0.793 0.563 0.800 0.600 CB 1.326 Z: 15 9.472 1.917 0.218 0.447 0.929 0.571 CB 1.233 15 residues pruned to eliminate duplicates Z: 11 3.336 1.520 0.195 0.267 0.700 0.300 CB 1.081 3 residues pruned to eliminate duplicates Z: 84 64.876 2.176 0.880 0.676 0.952 0.614 CB 1.556 84 residues pruned to eliminate duplicates Z: 60 38.482 2.124 0.646 0.652 0.915 0.661 CB 1.359 60 residues pruned to eliminate duplicates Z: 46 43.158 2.179 0.819 0.653 0.956 0.778 CB 1.473 46 residues pruned to eliminate duplicates Z: 14 11.181 1.758 0.530 0.619 0.923 0.615 CB 1.116 14 residues pruned to eliminate duplicates Z: 10 16.676 2.078 0.564 0.762 1.000 0.444 CB 1.355 10 residues pruned to eliminate duplicates Z: 10 11.384 1.829 0.581 0.616 1.000 0.667 CB 1.176 10 residues pruned to eliminate duplicates Z: 8 11.836 2.113 0.060 0.839 1.000 0.857 CB 1.491 8 residues pruned to eliminate duplicates Z: 8 5.902 1.719 -0.065 0.900 1.000 1.000 CB 0.992 8 residues pruned to eliminate duplicates Z: 13 13.304 2.064 0.601 0.527 0.917 0.667 CB 1.235 13 residues pruned to eliminate duplicates Z: 10 9.329 1.732 0.462 0.471 1.000 0.667 CB 1.265 11 residues pruned to eliminate duplicates Z: 26 38.326 2.084 0.763 0.909 0.960 0.720 CB 1.542 26 residues pruned to eliminate duplicates Z: 99 68.243 2.180 0.923 0.654 0.908 0.653 CB 1.570 99 residues pruned to eliminate duplicates Z: 27 27.055 2.164 0.738 0.506 0.923 0.577 CB 1.520 27 residues pruned to eliminate duplicates Z: 10 3.274 1.581 -0.101 0.419 1.000 0.667 CB 0.835 Z: 8 9.954 1.721 0.401 0.556 1.000 0.429 N 1.477 9 residues pruned to eliminate duplicates Z: 8 10.172 1.760 0.949 0.669 0.857 0.714 CB 1.119 Z: 38 43.622 2.236 0.850 0.685 0.973 0.757 CB 1.504 103 residues pruned to eliminate duplicates Z: 8 7.551 1.751 0.573 0.572 0.857 0.714 N 1.127 Z: 25 36.947 2.094 0.818 0.883 0.958 0.708 CB 1.494 25 residues pruned to eliminate duplicates Z: 13 12.058 1.556 0.632 0.906 1.000 0.917 CB 0.975 12 residues pruned to eliminate duplicates Z: 20 30.539 2.224 0.829 0.892 0.842 0.474 CB 1.469 20 residues pruned to eliminate duplicates Z: 25 20.473 2.052 0.979 0.513 0.792 0.667 CB 1.283 25 residues pruned to eliminate duplicates Z: 41 43.647 2.214 0.820 0.708 0.925 0.575 CB 1.533 41 residues pruned to eliminate duplicates Z: 8 6.963 1.764 0.858 0.460 1.000 0.571 CB 0.836 8 residues pruned to eliminate duplicates Z: 12 5.267 1.431 0.163 0.391 0.909 0.545 O 1.178 Z: 17 21.936 1.960 0.829 0.888 0.938 0.438 CB 1.176 Z: 26 28.124 2.053 0.702 0.890 0.960 0.520 CB 1.206 17 residues pruned to eliminate duplicates Z: 108 74.662 2.191 0.905 0.637 0.953 0.673 CB 1.595 108 residues pruned to eliminate duplicates Z: 26 19.283 1.894 0.887 0.537 0.840 0.640 CB 1.238 41 residues pruned to eliminate duplicates Z: 28 21.372 1.928 0.368 0.891 0.926 0.667 CB 1.211 26 residues pruned to eliminate duplicates Z: 8 5.480 1.701 0.245 0.593 0.857 0.714 CB 1.044 Z: 37 35.401 2.075 0.778 0.722 0.972 0.750 CB 1.345 23 residues pruned to eliminate duplicates Z: 13 11.823 1.551 0.735 0.874 1.000 0.833 CB 0.923 13 residues pruned to eliminate duplicates Z: 8 4.697 1.443 0.271 0.443 1.000 0.571 C 1.027 6 residues pruned to eliminate duplicates Z: 6 2.299 1.821 0.668 0.253 0.800 0.600 CB 0.562 6 residues pruned to eliminate duplicates Z: 28 39.768 2.135 0.715 0.853 1.000 0.667 CB 1.545 28 residues pruned to eliminate duplicates Z: 9 6.914 1.524 0.398 0.711 0.875 0.750 CA 1.083 7 residues pruned to eliminate duplicates Z: 8 8.727 1.878 0.200 0.822 0.857 0.857 CB 1.292 8 residues pruned to eliminate duplicates Z: 27 14.940 1.954 0.785 0.446 0.769 0.500 CB 1.154 27 residues pruned to eliminate duplicates Z: 16 26.486 2.042 0.655 0.950 1.000 0.933 CB 1.395 16 residues pruned to eliminate duplicates Z: 48 54.985 2.193 0.976 0.706 0.979 0.702 CB 1.568 48 residues pruned to eliminate duplicates Z: 39 31.152 2.063 0.509 0.771 0.947 0.684 CB 1.348 25 residues pruned to eliminate duplicates Z: 30 39.504 2.121 0.913 0.786 1.000 0.862 CB 1.406 31 residues pruned to eliminate duplicates Z: 42 38.941 2.162 0.745 0.635 0.951 0.732 CB 1.492 42 residues pruned to eliminate duplicates Z: 33 41.622 2.208 1.002 0.631 0.969 0.812 CB 1.520 33 residues pruned to eliminate duplicates Z: 20 36.810 2.229 0.942 0.636 1.000 0.842 CA 1.717 20 residues pruned to eliminate duplicates Z: 11 7.303 1.809 0.176 0.694 0.900 0.700 CB 1.010 11 residues pruned to eliminate duplicates Z: 10 14.912 2.097 0.428 0.715 1.000 0.889 CB 1.366 10 residues pruned to eliminate duplicates Z: 11 15.572 2.016 0.400 0.757 0.900 0.800 CB 1.543 11 residues pruned to eliminate duplicates Z: 41 31.136 2.011 0.708 0.725 0.900 0.625 CB 1.299 42 residues pruned to eliminate duplicates Z: 10 4.793 1.393 0.298 0.431 0.889 0.556 CA 1.068 10 residues pruned to eliminate duplicates Z: 25 23.276 2.042 0.503 0.882 0.875 0.667 CB 1.280 25 residues pruned to eliminate duplicates Z: 11 12.990 1.770 0.605 0.626 1.000 0.600 CB 1.284 11 residues pruned to eliminate duplicates Z: 11 9.035 1.721 0.934 0.364 0.900 0.800 CA 1.104 11 residues pruned to eliminate duplicates Z: 25 27.981 2.050 0.622 0.900 0.958 0.625 CB 1.280 25 residues pruned to eliminate duplicates Z: 61 49.104 2.151 0.922 0.583 0.950 0.617 CB 1.490 61 residues pruned to eliminate duplicates Z: 27 38.190 2.030 0.771 0.883 1.000 0.731 CB 1.507 27 residues pruned to eliminate duplicates Z: 27 32.287 1.997 0.646 0.852 1.000 0.846 CB 1.425 27 residues pruned to eliminate duplicates Z: 24 33.190 2.085 0.603 0.910 0.957 0.783 CB 1.536 24 residues pruned to eliminate duplicates Z: 29 35.473 2.126 0.750 0.762 1.000 0.786 CB 1.428 29 residues pruned to eliminate duplicates Z: 15 24.965 1.950 0.840 0.935 1.000 0.929 CB 1.296 15 residues pruned to eliminate duplicates 6 1.830 1.603 0.278 0.377 0.600 0.400 CB 0.759 ? Z: 8 8.179 1.776 0.306 0.733 0.857 0.714 N 1.261 Z: 9 3.074 1.510 -0.085 0.662 0.875 0.625 CB 0.774 8 residues pruned to eliminate duplicates Z: 9 9.146 1.886 0.286 0.882 0.875 0.875 CB 1.103 9 residues pruned to eliminate duplicates Z: 13 14.078 1.583 0.918 0.914 1.000 0.750 CB 0.947 13 residues pruned to eliminate duplicates Z: 48 57.726 2.205 0.996 0.702 1.000 0.766 CB 1.592 48 residues pruned to eliminate duplicates Z: 19 27.311 1.913 0.688 0.884 1.000 0.833 CB 1.440 19 residues pruned to eliminate duplicates Z: 79 46.830 2.135 0.672 0.671 0.962 0.654 CB 1.319 118 residues pruned to eliminate duplicates Z: 28 24.812 1.945 0.581 0.883 0.926 0.741 CB 1.213 Z: 27 38.559 2.193 0.578 0.847 0.962 0.615 CB 1.687 27 residues pruned to eliminate duplicates Z: 32 43.268 2.119 1.028 0.717 0.968 0.806 CB 1.536 32 residues pruned to eliminate duplicates Z: 58 49.920 2.157 0.896 0.586 0.965 0.667 CB 1.543 58 residues pruned to eliminate duplicates Z: 15 19.447 1.981 0.750 0.692 0.929 0.786 CB 1.354 15 residues pruned to eliminate duplicates Z: 10 9.629 1.966 0.138 0.762 1.000 0.889 CB 1.136 10 residues pruned to eliminate duplicates Z: 11 21.542 2.080 0.722 0.709 1.000 0.800 CB 1.574 11 residues pruned to eliminate duplicates Z: 6 7.710 1.850 0.752 0.748 1.000 1.000 CB 0.853 Z: 11 8.549 1.878 0.148 0.506 1.000 0.700 CB 1.246 11 residues pruned to eliminate duplicates Z: 27 24.635 2.015 1.019 0.671 0.808 0.462 CB 1.256 27 residues pruned to eliminate duplicates Z: 28 27.881 2.088 0.775 0.558 0.963 0.667 CB 1.421 28 residues pruned to eliminate duplicates Z: 69 38.077 1.956 0.612 0.627 0.912 0.691 CB 1.425 69 residues pruned to eliminate duplicates Z: 47 57.061 2.222 1.076 0.698 0.957 0.761 CB 1.591 47 residues pruned to eliminate duplicates Z: 12 4.392 1.623 0.000 0.488 0.909 0.455 CB 0.908 12 residues pruned to eliminate duplicates Z: 13 5.244 1.605 0.651 0.309 0.667 0.333 CA 1.059 13 residues pruned to eliminate duplicates Z: 17 32.113 2.228 0.906 0.878 0.938 0.375 CB 1.462 17 residues pruned to eliminate duplicates Z: 14 14.603 1.520 0.960 0.928 1.000 0.923 CB 0.952 13 residues pruned to eliminate duplicates Z: 53 55.474 2.170 1.056 0.647 0.981 0.692 CB 1.533 53 residues pruned to eliminate duplicates Z: 11 7.812 1.558 0.643 0.460 0.800 0.400 N 1.257 7 residues pruned to eliminate duplicates Z: 6 2.760 1.648 0.037 0.237 1.000 0.200 CB 0.980 4 residues pruned to eliminate duplicates Z: 99 73.285 2.226 0.897 0.676 0.949 0.582 CB 1.571 99 residues pruned to eliminate duplicates Z: 7 4.810 1.674 0.284 0.626 0.833 0.833 CB 0.974 Z: 28 34.508 2.187 0.631 0.848 0.926 0.296 CB 1.492 28 residues pruned to eliminate duplicates Z: 52 43.430 2.135 0.897 0.614 0.941 0.627 CB 1.432 52 residues pruned to eliminate duplicates Z: 8 5.782 1.698 0.987 0.329 0.714 0.571 CB 1.095 8 residues pruned to eliminate duplicates Z: 13 10.051 2.030 0.290 0.528 0.917 0.583 CB 1.177 13 residues pruned to eliminate duplicates Z: 17 22.748 1.817 0.927 0.936 1.000 0.750 CB 1.131 16 residues pruned to eliminate duplicates Z: 25 27.341 2.053 0.558 0.887 0.958 0.667 CB 1.313 25 residues pruned to eliminate duplicates Z: 8 13.033 2.066 0.348 0.845 1.000 0.714 CB 1.316 8 residues pruned to eliminate duplicates Z: 6 3.132 1.681 -0.116 0.355 1.000 0.800 CB 1.102 6 residues pruned to eliminate duplicates Z: 13 12.139 1.556 0.585 0.944 1.000 1.000 CB 0.985 13 residues pruned to eliminate duplicates Z: 8 3.096 1.450 0.462 0.320 0.571 0.571 CB 1.177 Z: 13 3.174 1.668 0.362 0.266 0.583 0.500 CB 0.903 11 residues pruned to eliminate duplicates Z: 12 14.446 2.029 0.632 0.582 1.000 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 16 37.921 2.228 1.172 0.936 1.000 0.933 CB 1.409 16 residues pruned to eliminate duplicates Z: 10 11.779 1.911 0.615 0.693 1.000 0.889 N 1.067 Z: 26 36.162 2.060 0.705 0.930 0.960 0.720 CB 1.499 26 residues pruned to eliminate duplicates Z: 13 12.066 1.662 0.739 0.514 0.917 0.667 CB 1.296 13 residues pruned to eliminate duplicates Z: 11 28.463 2.182 0.939 0.858 1.000 0.700 CB 1.566 11 residues pruned to eliminate duplicates Z: 56 38.281 2.132 0.870 0.654 0.873 0.582 CB 1.285 28 residues pruned to eliminate duplicates Z: 68 51.142 2.189 0.758 0.586 0.955 0.642 CB 1.565 68 residues pruned to eliminate duplicates Z: 27 24.973 2.007 0.603 0.863 0.962 0.615 CB 1.161 27 residues pruned to eliminate duplicates Z: 16 22.180 1.923 0.598 0.923 1.000 0.867 CB 1.310 16 residues pruned to eliminate duplicates Z: 11 5.517 1.639 0.345 0.513 0.800 0.600 CB 0.977 9 residues pruned to eliminate duplicates Z: 53 37.008 2.035 0.800 0.520 0.942 0.654 CB 1.458 53 residues pruned to eliminate duplicates Z: 45 48.812 2.205 0.844 0.752 0.886 0.568 CB 1.630 44 residues pruned to eliminate duplicates Z: 6 4.504 1.586 0.490 0.621 0.800 0.200 CB 0.951 6 residues pruned to eliminate duplicates Z: 29 31.901 2.104 0.624 0.804 0.964 0.857 CB 1.402 29 residues pruned to eliminate duplicates Z: 12 17.230 1.862 0.581 0.867 1.000 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 9 8.790 1.577 0.331 0.807 1.000 0.875 CA 1.133 9 residues pruned to eliminate duplicates Z: 7 6.213 1.765 0.329 0.544 0.833 0.667 CB 1.244 Z: 12 11.765 1.783 0.668 0.523 0.818 0.727 CA 1.425 12 residues pruned to eliminate duplicates Z: 20 22.807 1.990 0.575 0.834 0.947 0.789 CB 1.322 20 residues pruned to eliminate duplicates Z: 13 9.504 1.484 0.636 0.871 1.000 0.917 CB 0.824 13 residues pruned to eliminate duplicates Z: 19 12.719 1.880 0.473 0.452 0.889 0.556 CB 1.280 19 residues pruned to eliminate duplicates Z: 44 49.683 2.195 0.834 0.713 0.930 0.767 CB 1.668 44 residues pruned to eliminate duplicates Z: 13 15.160 1.562 1.024 0.944 1.000 0.833 CB 0.958 14 residues pruned to eliminate duplicates Z: 40 40.180 2.156 0.779 0.714 0.897 0.718 CB 1.540 40 residues pruned to eliminate duplicates Z: 6 3.559 1.960 0.217 0.750 0.400 0.000 CB 1.334 6 residues pruned to eliminate duplicates Z: 17 38.446 2.300 1.007 0.890 0.938 0.812 CB 1.598 17 residues pruned to eliminate duplicates Z: 26 38.338 2.037 0.996 0.906 0.960 0.560 CB 1.398 26 residues pruned to eliminate duplicates Z: 10 4.270 1.776 0.011 0.347 0.667 0.444 CB 1.404 7 residues pruned to eliminate duplicates Z: 10 16.155 2.094 0.500 0.703 1.000 0.667 CB 1.425 10 residues pruned to eliminate duplicates Z: 11 12.162 1.854 0.786 0.796 0.800 0.700 CB 1.121 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 11.760 1.942 0.433 0.698 0.909 0.818 N 1.169 11 residues pruned to eliminate duplicates Z: 6 3.823 1.557 0.427 0.355 0.800 0.400 N 1.125 6 residues pruned to eliminate duplicates Z: 9 4.736 1.517 0.559 0.451 0.625 0.500 N 1.191 9 residues pruned to eliminate duplicates 6 1.586 1.620 -0.405 0.372 1.000 0.600 CB 0.844 ? Z: 6 3.172 1.412 1.174 0.273 0.600 0.400 N 0.997 Z: 6 4.675 1.579 0.607 0.408 0.800 0.600 N 1.134 7 1.585 1.649 0.205 0.393 0.667 0.333 CB 0.547 ? Z: 6 3.090 1.629 0.079 0.384 1.000 0.400 O 0.889 6 residues pruned to eliminate duplicates Z: 8 3.690 1.626 0.290 0.349 0.714 0.429 CB 1.096 8 residues pruned to eliminate duplicates Z: 7 5.497 1.769 0.066 0.664 1.000 1.000 CB 1.022 9 residues pruned to eliminate duplicates Z: 6 5.941 1.716 0.088 0.844 1.000 0.800 CA 1.059 6 residues pruned to eliminate duplicates Z: 8 6.755 1.752 0.258 0.742 0.857 0.429 CB 1.088 7 residues pruned to eliminate duplicates Z: 7 6.744 1.509 0.552 0.752 0.833 0.667 N 1.127 7 residues pruned to eliminate duplicates Z: 6 7.035 1.703 0.410 0.668 1.000 0.800 CB 1.122 6 residues pruned to eliminate duplicates Z: 8 8.210 1.666 0.397 0.832 1.000 0.571 CB 1.000 8 residues pruned to eliminate duplicates Z: 10 7.471 1.570 0.028 0.811 1.000 0.778 CA 1.177 10 residues pruned to eliminate duplicates Z: 11 5.717 1.514 0.034 0.657 0.900 0.700 CB 1.110 11 residues pruned to eliminate duplicates Z: 79 45.938 2.150 0.714 0.533 0.910 0.654 CB 1.500 79 residues pruned to eliminate duplicates Z: 15 12.011 1.891 0.506 0.429 0.929 0.500 CB 1.306 15 residues pruned to eliminate duplicates Z: 23 20.081 2.078 0.621 0.506 0.909 0.636 CB 1.390 38 residues pruned to eliminate duplicates Z: 94 48.634 2.089 0.776 0.496 0.903 0.570 CB 1.511 94 residues pruned to eliminate duplicates Z: 30 17.509 1.858 0.503 0.427 0.966 0.586 CB 1.301 30 residues pruned to eliminate duplicates Z: 32 20.840 1.936 0.762 0.443 0.871 0.677 CB 1.335 32 residues pruned to eliminate duplicates Z: 12 14.171 2.080 0.552 0.468 1.000 0.455 CB 1.368 Z: 6 3.184 1.410 0.603 0.259 1.000 0.200 CA 0.830 6 residues pruned to eliminate duplicates Z: 33 29.902 2.078 0.830 0.539 0.875 0.656 CB 1.529 45 residues pruned to eliminate duplicates Z: 14 11.587 1.937 0.554 0.514 0.923 0.615 CB 1.140 Z: 6 4.185 1.599 0.731 0.189 0.800 0.200 CA 1.227 6 residues pruned to eliminate duplicates Z: 19 22.043 1.983 0.790 0.619 1.000 0.722 CB 1.308 19 residues pruned to eliminate duplicates Z: 15 19.716 2.086 0.881 0.663 0.929 0.786 CB 1.244 15 residues pruned to eliminate duplicates Z: 33 22.653 1.983 0.601 0.652 0.844 0.625 CB 1.297 33 residues pruned to eliminate duplicates Z: 32 30.394 1.997 0.758 0.736 0.935 0.677 CB 1.345 32 residues pruned to eliminate duplicates Z: 6 5.047 1.613 0.615 0.452 0.800 0.400 CB 1.137 Z: 6 12.267 1.967 1.144 0.310 1.000 0.600 C 1.606 Z: 6 3.215 1.642 0.077 0.360 0.800 0.600 O 1.183 Z: 11 14.523 2.021 0.406 0.753 0.900 0.400 CB 1.434 11 residues pruned to eliminate duplicates Z: 22 18.431 1.880 0.704 0.538 0.905 0.524 CB 1.336 22 residues pruned to eliminate duplicates Z: 55 46.316 2.149 0.881 0.567 0.944 0.685 CB 1.548 55 residues pruned to eliminate duplicates Z: 20 18.012 1.903 0.621 0.518 1.000 0.579 CB 1.315 20 residues pruned to eliminate duplicates Z: 55 49.018 2.129 0.935 0.603 0.981 0.741 CB 1.497 55 residues pruned to eliminate duplicates Z: 55 49.654 2.154 0.933 0.606 0.944 0.630 CB 1.553 55 residues pruned to eliminate duplicates Z: 54 58.157 2.170 1.030 0.625 1.000 0.736 CB 1.611 54 residues pruned to eliminate duplicates Z: 54 50.091 2.162 0.920 0.593 0.943 0.717 CB 1.607 54 residues pruned to eliminate duplicates Z: 53 51.189 2.151 1.014 0.632 0.942 0.615 CB 1.537 53 residues pruned to eliminate duplicates Z: 46 47.353 2.180 0.946 0.641 0.956 0.689 CB 1.526 46 residues pruned to eliminate duplicates Z: 46 50.605 2.195 0.992 0.679 0.933 0.800 CB 1.568 46 residues pruned to eliminate duplicates Z: 94 72.804 2.195 0.945 0.702 0.946 0.613 CB 1.554 63 residues pruned to eliminate duplicates Z: 6 5.356 1.484 1.128 0.419 1.000 0.400 CA 0.825 6 residues pruned to eliminate duplicates Z: 53 56.861 2.241 0.902 0.720 0.923 0.654 CB 1.642 53 residues pruned to eliminate duplicates Z: 54 55.005 2.229 0.843 0.709 0.943 0.585 CB 1.612 54 residues pruned to eliminate duplicates Z: 83 66.590 2.255 0.917 0.676 0.890 0.610 CB 1.626 83 residues pruned to eliminate duplicates Z: 57 50.730 2.201 0.941 0.671 0.875 0.589 CB 1.549 56 residues pruned to eliminate duplicates Z: 28 40.773 2.252 0.664 0.821 0.963 0.630 CB 1.646 28 residues pruned to eliminate duplicates Z: 55 53.277 2.201 0.880 0.695 0.926 0.630 CB 1.584 55 residues pruned to eliminate duplicates Z: 83 72.169 2.263 0.926 0.686 0.963 0.695 CB 1.600 54 residues pruned to eliminate duplicates Z: 16 38.496 2.325 1.031 0.920 0.933 0.933 CB 1.588 16 residues pruned to eliminate duplicates Z: 30 45.458 2.240 0.909 0.737 0.966 0.655 CB 1.653 30 residues pruned to eliminate duplicates Z: 49 50.933 2.244 0.832 0.671 0.958 0.625 CB 1.594 49 residues pruned to eliminate duplicates Z: 31 49.352 2.247 1.015 0.771 0.967 0.767 CB 1.619 31 residues pruned to eliminate duplicates Z: 43 51.046 2.167 0.910 0.756 0.929 0.595 CB 1.632 43 residues pruned to eliminate duplicates Z: 96 66.834 2.195 0.857 0.615 0.947 0.642 CB 1.592 63 residues pruned to eliminate duplicates Z: 28 43.284 2.238 0.770 0.845 0.926 0.667 CB 1.689 28 residues pruned to eliminate duplicates Z: 42 49.467 2.230 0.789 0.735 0.927 0.634 CB 1.692 42 residues pruned to eliminate duplicates Z: 100 68.148 2.213 0.825 0.652 0.929 0.697 CB 1.583 100 residues pruned to eliminate duplicates Z: 56 56.898 2.203 0.923 0.674 0.945 0.636 CB 1.631 56 residues pruned to eliminate duplicates Z: 27 49.508 2.293 1.002 0.793 1.000 0.846 CB 1.635 27 residues pruned to eliminate duplicates Z: 41 54.128 2.248 0.873 0.762 0.950 0.700 CB 1.696 41 residues pruned to eliminate duplicates Z: 82 72.316 2.266 0.896 0.678 0.963 0.716 CB 1.649 82 residues pruned to eliminate duplicates Z: 43 52.080 2.224 0.902 0.706 0.952 0.619 CB 1.655 22 residues pruned to eliminate duplicates Z: 28 51.296 2.250 0.885 0.879 1.000 0.741 CB 1.688 30 residues pruned to eliminate duplicates Z: 28 41.939 2.207 0.714 0.830 0.963 0.704 CB 1.666 28 residues pruned to eliminate duplicates Z: 82 78.120 2.274 1.009 0.705 0.963 0.679 CB 1.637 82 residues pruned to eliminate duplicates Z: 14 19.470 2.252 0.733 0.588 0.769 0.462 CA 1.654 14 residues pruned to eliminate duplicates Z: 42 52.608 2.222 0.884 0.741 0.951 0.585 CB 1.663 42 residues pruned to eliminate duplicates Z: 41 52.636 2.258 0.855 0.737 0.950 0.675 CB 1.691 41 residues pruned to eliminate duplicates Z: 52 61.521 2.277 0.921 0.718 0.961 0.588 CB 1.683 52 residues pruned to eliminate duplicates Z: 40 50.246 2.249 0.786 0.734 0.949 0.692 CB 1.711 40 residues pruned to eliminate duplicates Z: 39 57.343 2.264 0.947 0.777 0.974 0.789 CB 1.697 39 residues pruned to eliminate duplicates Z: 55 57.674 2.219 0.876 0.657 0.981 0.611 CB 1.660 41 residues pruned to eliminate duplicates Z: 30 40.808 2.269 0.726 0.757 0.897 0.517 CB 1.716 30 residues pruned to eliminate duplicates Z: 44 46.943 2.238 0.917 0.605 0.953 0.698 CB 1.584 44 residues pruned to eliminate duplicates Z: 52 45.762 2.242 0.839 0.612 0.902 0.647 CB 1.549 52 residues pruned to eliminate duplicates Z: 83 74.453 2.267 0.949 0.671 0.963 0.707 CB 1.650 83 residues pruned to eliminate duplicates Z: 101 70.598 2.213 0.794 0.664 0.960 0.640 CB 1.592 101 residues pruned to eliminate duplicates Z: 102 71.420 2.206 0.893 0.643 0.950 0.703 CB 1.567 102 residues pruned to eliminate duplicates Z: 101 73.489 2.198 0.885 0.655 0.950 0.640 CB 1.616 101 residues pruned to eliminate duplicates Z: 44 46.095 2.251 0.943 0.636 0.930 0.674 CB 1.520 44 residues pruned to eliminate duplicates Z: 102 71.224 2.203 0.861 0.634 0.950 0.703 CB 1.604 102 residues pruned to eliminate duplicates Z: 82 72.588 2.276 0.895 0.696 0.951 0.753 CB 1.644 82 residues pruned to eliminate duplicates Z: 55 56.621 2.219 0.904 0.680 0.944 0.648 CB 1.637 55 residues pruned to eliminate duplicates Z: 82 74.743 2.281 0.916 0.690 0.963 0.667 CB 1.659 82 residues pruned to eliminate duplicates Z: 55 49.760 2.206 1.012 0.606 0.926 0.593 CB 1.490 55 residues pruned to eliminate duplicates Z: 83 68.943 2.268 0.848 0.690 0.939 0.695 CB 1.625 83 residues pruned to eliminate duplicates Z: 82 76.436 2.290 0.976 0.692 0.951 0.667 CB 1.656 82 residues pruned to eliminate duplicates Z: 45 48.932 2.192 0.887 0.639 0.977 0.591 CB 1.602 45 residues pruned to eliminate duplicates Z: 33 41.893 2.202 1.072 0.669 0.906 0.656 CB 1.532 33 residues pruned to eliminate duplicates Z: 28 49.956 2.327 1.077 0.720 0.963 0.815 CB 1.693 28 residues pruned to eliminate duplicates Z: 29 47.740 2.300 1.006 0.698 0.964 0.750 CB 1.693 29 residues pruned to eliminate duplicates Z: 49 46.848 2.142 0.919 0.603 0.979 0.646 CB 1.524 49 residues pruned to eliminate duplicates Z: 55 50.560 2.164 0.873 0.618 0.981 0.704 CB 1.547 55 residues pruned to eliminate duplicates Z: 48 44.186 2.102 0.910 0.589 0.979 0.596 CB 1.506 48 residues pruned to eliminate duplicates Z: 31 43.685 2.265 0.953 0.649 0.967 0.800 CB 1.624 31 residues pruned to eliminate duplicates Z: 97 78.117 2.217 1.002 0.659 0.958 0.604 CB 1.617 55 residues pruned to eliminate duplicates Z: 83 78.599 2.268 0.993 0.703 0.976 0.756 CB 1.636 83 residues pruned to eliminate duplicates Z: 29 47.419 2.329 0.878 0.720 1.000 0.893 CB 1.680 29 residues pruned to eliminate duplicates Z: 103 71.847 2.173 0.922 0.640 0.951 0.706 CB 1.571 103 residues pruned to eliminate duplicates Z: 98 74.573 2.212 0.980 0.665 0.948 0.711 CB 1.565 98 residues pruned to eliminate duplicates Z: 30 45.546 2.308 1.042 0.681 0.931 0.828 CB 1.632 30 residues pruned to eliminate duplicates Z: 28 53.218 2.323 1.201 0.733 0.963 0.926 CB 1.686 28 residues pruned to eliminate duplicates Z: 52 43.068 2.118 0.948 0.580 0.941 0.686 CB 1.437 60 residues pruned to eliminate duplicates Z: 28 54.257 2.348 1.135 0.736 1.000 0.852 CB 1.685 28 residues pruned to eliminate duplicates Z: 41 46.857 2.214 1.070 0.653 0.925 0.675 CB 1.515 41 residues pruned to eliminate duplicates Z: 47 46.919 2.172 0.959 0.638 0.935 0.739 CB 1.528 47 residues pruned to eliminate duplicates Z: 30 49.979 2.258 1.166 0.673 0.966 0.793 CB 1.675 Z: 17 43.931 2.264 1.091 0.934 1.000 0.875 CB 1.618 20 residues pruned to eliminate duplicates Z: 31 45.590 2.263 1.046 0.684 0.967 0.800 CB 1.571 31 residues pruned to eliminate duplicates Z: 31 46.643 2.275 1.074 0.680 0.967 0.700 CB 1.582 31 residues pruned to eliminate duplicates Z: 53 48.340 2.128 0.886 0.637 0.962 0.712 CB 1.528 69 residues pruned to eliminate duplicates Z: 18 34.130 2.244 0.922 0.870 0.941 0.882 CB 1.488 18 residues pruned to eliminate duplicates Z: 46 45.449 2.162 0.984 0.618 0.956 0.689 CB 1.478 46 residues pruned to eliminate duplicates Z: 41 48.603 2.241 1.014 0.672 0.950 0.725 CB 1.529 41 residues pruned to eliminate duplicates Z: 53 48.100 2.170 0.888 0.577 0.962 0.692 CB 1.572 53 residues pruned to eliminate duplicates Z: 8 3.506 1.547 0.771 0.223 0.714 0.286 N 0.936 Z: 20 27.541 2.112 0.933 0.817 0.842 0.316 CB 1.396 28 residues pruned to eliminate duplicates Z: 45 50.932 2.231 0.870 0.684 0.977 0.705 CB 1.590 94 residues pruned to eliminate duplicates Z: 15 23.367 1.871 0.777 0.764 1.000 0.571 CB 1.486 15 residues pruned to eliminate duplicates Z: 100 76.280 2.224 0.989 0.667 0.949 0.646 CB 1.564 100 residues pruned to eliminate duplicates Z: 54 51.038 2.067 1.022 0.722 0.943 0.698 CB 1.455 54 residues pruned to eliminate duplicates Z: 52 47.296 1.994 0.929 0.720 0.980 0.686 CB 1.440 52 residues pruned to eliminate duplicates Z: 39 47.452 2.097 0.847 0.772 1.000 0.737 CB 1.563 39 residues pruned to eliminate duplicates Z: 11 22.763 2.292 0.946 0.688 0.900 0.500 CB 1.509 11 residues pruned to eliminate duplicates Z: 39 48.425 2.101 0.962 0.771 0.974 0.737 CB 1.539 39 residues pruned to eliminate duplicates Z: 11 21.108 2.230 1.000 0.687 0.900 0.500 CB 1.401 11 residues pruned to eliminate duplicates Z: 26 20.372 2.069 0.660 0.551 0.840 0.600 CB 1.344 26 residues pruned to eliminate duplicates Z: 16 12.210 1.974 0.928 0.497 0.600 0.400 CB 1.385 16 residues pruned to eliminate duplicates Z: 12 20.311 2.184 1.008 0.679 0.818 0.545 CB 1.449 12 residues pruned to eliminate duplicates Z: 24 26.924 2.189 0.885 0.587 0.826 0.609 CB 1.515 24 residues pruned to eliminate duplicates Z: 49 40.419 2.053 0.923 0.635 0.896 0.521 CB 1.453 49 residues pruned to eliminate duplicates Z: 52 53.441 2.114 1.019 0.733 0.941 0.686 CB 1.511 52 residues pruned to eliminate duplicates Z: 43 46.742 2.201 0.961 0.612 0.952 0.762 CB 1.579 43 residues pruned to eliminate duplicates Z: 14 15.388 2.086 0.711 0.514 0.923 0.615 CB 1.278 14 residues pruned to eliminate duplicates Z: 13 17.256 2.148 0.723 0.488 0.917 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 14 15.696 2.026 0.873 0.507 0.923 0.615 CB 1.234 14 residues pruned to eliminate duplicates Z: 22 34.732 2.259 1.116 0.610 0.905 0.714 CB 1.578 22 residues pruned to eliminate duplicates Z: 22 27.835 2.243 0.807 0.608 0.905 0.667 CB 1.495 22 residues pruned to eliminate duplicates Z: 108 64.363 2.140 0.865 0.623 0.925 0.664 CB 1.501 108 residues pruned to eliminate duplicates Z: 53 51.091 2.097 0.921 0.697 0.981 0.635 CB 1.498 53 residues pruned to eliminate duplicates Z: 26 23.399 2.094 0.867 0.549 0.840 0.560 CB 1.359 26 residues pruned to eliminate duplicates Z: 14 16.130 2.018 0.871 0.504 0.923 0.538 CB 1.279 14 residues pruned to eliminate duplicates Z: 71 50.774 2.170 0.822 0.559 0.957 0.657 CB 1.514 71 residues pruned to eliminate duplicates Z: 51 42.524 2.147 0.930 0.560 0.920 0.600 CB 1.489 51 residues pruned to eliminate duplicates Z: 67 51.195 2.184 0.847 0.533 0.939 0.606 CB 1.608 67 residues pruned to eliminate duplicates Z: 29 47.549 2.289 0.987 0.712 0.929 0.786 CB 1.755 29 residues pruned to eliminate duplicates Z: 94 61.145 2.217 0.815 0.598 0.925 0.667 CB 1.552 132 residues pruned to eliminate duplicates Z: 6 10.033 1.844 1.050 0.412 1.000 0.800 CA 1.302 6 residues pruned to eliminate duplicates Z: 28 50.935 2.303 1.011 0.747 0.963 0.815 CB 1.763 28 residues pruned to eliminate duplicates Z: 28 53.853 2.303 1.043 0.753 1.000 0.778 CB 1.757 28 residues pruned to eliminate duplicates Z: 78 54.028 2.196 0.804 0.556 0.935 0.597 CB 1.574 78 residues pruned to eliminate duplicates Z: 55 44.172 2.232 0.729 0.562 0.907 0.611 CB 1.616 55 residues pruned to eliminate duplicates Z: 28 58.544 2.298 1.266 0.766 1.000 0.778 CB 1.709 28 residues pruned to eliminate duplicates Z: 54 50.564 2.236 0.828 0.608 0.943 0.642 CB 1.626 54 residues pruned to eliminate duplicates Z: 54 49.298 2.240 0.817 0.587 0.962 0.642 CB 1.590 54 residues pruned to eliminate duplicates Z: 54 46.874 2.220 0.795 0.558 0.943 0.642 CB 1.619 54 residues pruned to eliminate duplicates Z: 68 49.607 2.183 0.847 0.534 0.925 0.642 CB 1.570 68 residues pruned to eliminate duplicates Z: 108 71.876 2.152 0.906 0.634 0.972 0.692 CB 1.536 108 residues pruned to eliminate duplicates Z: 55 45.633 2.220 0.771 0.565 0.926 0.667 CB 1.602 55 residues pruned to eliminate duplicates Z: 43 42.613 2.221 0.742 0.623 0.929 0.690 CB 1.629 43 residues pruned to eliminate duplicates Z: 44 48.630 2.213 0.887 0.626 0.953 0.721 CB 1.655 44 residues pruned to eliminate duplicates Z: 43 46.792 2.203 0.927 0.637 0.952 0.762 CB 1.571 43 residues pruned to eliminate duplicates Z: 28 54.124 2.290 1.097 0.732 1.000 0.815 CB 1.761 28 residues pruned to eliminate duplicates Z: 44 43.996 2.203 0.796 0.621 0.953 0.767 CB 1.587 44 residues pruned to eliminate duplicates Z: 53 51.237 2.259 0.832 0.596 0.962 0.673 CB 1.628 53 residues pruned to eliminate duplicates Z: 29 49.599 2.264 1.020 0.735 0.964 0.821 CB 1.720 29 residues pruned to eliminate duplicates Z: 54 47.915 2.205 0.864 0.570 0.943 0.642 CB 1.586 54 residues pruned to eliminate duplicates Z: 29 52.368 2.279 1.156 0.721 0.964 0.786 CB 1.711 29 residues pruned to eliminate duplicates Z: 42 46.249 2.242 0.897 0.650 0.927 0.659 CB 1.593 42 residues pruned to eliminate duplicates Z: 27 61.192 2.345 1.255 0.771 1.000 0.808 CB 1.785 27 residues pruned to eliminate duplicates Z: 68 48.407 2.168 0.822 0.539 0.940 0.642 CB 1.532 68 residues pruned to eliminate duplicates Z: 53 56.273 2.252 0.973 0.616 0.981 0.731 CB 1.605 53 residues pruned to eliminate duplicates Z: 54 54.042 2.227 1.038 0.602 0.943 0.585 CB 1.572 54 residues pruned to eliminate duplicates Z: 68 46.320 2.172 0.777 0.535 0.940 0.567 CB 1.507 68 residues pruned to eliminate duplicates Z: 54 51.094 2.228 0.938 0.556 0.962 0.509 CB 1.600 54 residues pruned to eliminate duplicates Z: 56 46.709 2.182 0.926 0.568 0.909 0.527 CB 1.544 56 residues pruned to eliminate duplicates Z: 160 75.510 2.094 0.872 0.641 0.931 0.654 CB 1.439 200 residues pruned to eliminate duplicates Z: 25 24.099 2.199 0.565 0.488 0.958 0.458 CB 1.509 25 residues pruned to eliminate duplicates Z: 68 53.007 2.190 0.929 0.581 0.940 0.672 CB 1.508 68 residues pruned to eliminate duplicates Z: 55 49.934 2.223 0.924 0.579 0.944 0.574 CB 1.559 55 residues pruned to eliminate duplicates Z: 27 24.398 2.150 0.551 0.462 1.000 0.654 CB 1.492 27 residues pruned to eliminate duplicates Z: 27 22.560 2.146 0.536 0.447 0.962 0.615 CB 1.474 27 residues pruned to eliminate duplicates Z: 76 53.802 2.162 0.801 0.638 0.920 0.640 CB 1.524 76 residues pruned to eliminate duplicates Z: 47 25.138 1.952 0.584 0.516 0.913 0.674 CB 1.293 47 residues pruned to eliminate duplicates Z: 103 66.525 2.121 0.983 0.608 0.941 0.686 CB 1.502 103 residues pruned to eliminate duplicates Z: 17 15.070 2.030 0.373 0.496 1.000 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 66 38.688 2.074 0.794 0.482 0.877 0.600 CB 1.498 66 residues pruned to eliminate duplicates Z: 55 50.425 2.203 0.812 0.607 0.963 0.685 CB 1.612 55 residues pruned to eliminate duplicates Z: 116 69.702 2.190 0.828 0.645 0.948 0.652 CB 1.496 93 residues pruned to eliminate duplicates Z: 7 11.069 1.931 0.943 0.430 1.000 0.500 C 1.294 7 residues pruned to eliminate duplicates Z: 27 26.623 2.114 0.821 0.550 0.885 0.615 CB 1.460 27 residues pruned to eliminate duplicates Z: 52 49.722 2.203 0.886 0.581 0.941 0.686 CB 1.647 52 residues pruned to eliminate duplicates Z: 27 27.918 2.115 0.748 0.547 0.962 0.692 CB 1.471 27 residues pruned to eliminate duplicates Z: 25 30.572 2.182 0.819 0.586 0.958 0.708 CB 1.511 25 residues pruned to eliminate duplicates Z: 28 28.531 2.086 0.869 0.558 0.926 0.741 CB 1.438 28 residues pruned to eliminate duplicates Z: 55 58.463 2.203 0.980 0.647 0.981 0.778 CB 1.619 55 residues pruned to eliminate duplicates Z: 38 33.818 2.192 0.719 0.604 0.892 0.676 CB 1.499 38 residues pruned to eliminate duplicates Z: 39 30.969 2.153 0.594 0.565 0.921 0.605 CB 1.492 45 residues pruned to eliminate duplicates Z: 42 36.487 2.204 0.697 0.626 0.927 0.707 CB 1.461 42 residues pruned to eliminate duplicates Z: 52 36.560 2.143 0.745 0.636 0.902 0.706 CB 1.336 52 residues pruned to eliminate duplicates Z: 15 22.259 2.286 0.656 0.558 1.000 0.857 CB 1.485 15 residues pruned to eliminate duplicates Z: 42 40.186 2.210 0.865 0.610 0.927 0.659 CB 1.481 42 residues pruned to eliminate duplicates Z: 43 34.988 2.156 0.729 0.578 0.905 0.643 CB 1.485 43 residues pruned to eliminate duplicates Z: 78 47.638 2.151 0.702 0.650 0.922 0.714 CB 1.398 39 residues pruned to eliminate duplicates Z: 6 9.594 2.039 0.540 0.618 0.800 0.400 CA 1.528 6 residues pruned to eliminate duplicates Z: 80 56.717 2.166 0.933 0.694 0.949 0.734 CB 1.345 80 residues pruned to eliminate duplicates Z: 6 2.277 1.683 0.042 0.225 0.800 0.600 CB 1.001 6 residues pruned to eliminate duplicates Z: 79 48.042 2.115 0.806 0.639 0.936 0.590 CB 1.336 79 residues pruned to eliminate duplicates Z: 37 40.590 2.210 0.973 0.668 0.917 0.639 CB 1.449 37 residues pruned to eliminate duplicates Z: 47 39.548 2.164 0.892 0.593 0.935 0.739 CB 1.394 47 residues pruned to eliminate duplicates Z: 7 7.672 1.802 0.821 0.428 0.833 0.833 CA 1.234 Z: 6 6.354 1.867 1.224 0.348 0.800 0.600 CA 1.009 13 residues pruned to eliminate duplicates Z: 27 37.502 2.146 0.913 0.745 0.962 0.769 CB 1.497 27 residues pruned to eliminate duplicates Z: 38 33.814 2.232 0.823 0.538 0.892 0.649 CB 1.476 38 residues pruned to eliminate duplicates Z: 26 37.229 2.169 0.834 0.763 1.000 0.880 CB 1.481 26 residues pruned to eliminate duplicates Z: 27 40.025 2.194 1.012 0.744 0.962 0.885 CB 1.487 28 residues pruned to eliminate duplicates Z: 16 23.703 2.047 0.601 0.798 1.000 0.733 CB 1.439 16 residues pruned to eliminate duplicates Z: 30 31.966 2.036 0.955 0.653 0.931 0.759 CB 1.389 30 residues pruned to eliminate duplicates Z: 26 38.787 2.180 0.960 0.749 0.960 0.840 CB 1.513 26 residues pruned to eliminate duplicates Z: 26 37.614 2.144 0.977 0.736 0.960 0.880 CB 1.495 26 residues pruned to eliminate duplicates Z: 17 19.909 1.855 0.644 0.881 0.938 0.812 CB 1.261 17 residues pruned to eliminate duplicates Z: 44 34.218 2.135 0.759 0.603 0.884 0.744 CB 1.425 44 residues pruned to eliminate duplicates Z: 27 37.940 2.122 0.906 0.721 1.000 0.808 CB 1.507 27 residues pruned to eliminate duplicates Z: 27 35.054 2.125 0.821 0.695 1.000 0.846 CB 1.487 27 residues pruned to eliminate duplicates Z: 39 43.585 2.217 0.975 0.680 0.921 0.658 CB 1.485 39 residues pruned to eliminate duplicates Z: 32 32.911 2.113 0.951 0.656 0.935 0.839 CB 1.326 32 residues pruned to eliminate duplicates Z: 28 35.730 2.084 0.890 0.712 1.000 0.815 CB 1.441 28 residues pruned to eliminate duplicates Z: 27 35.227 2.090 0.950 0.714 0.962 0.538 CB 1.452 27 residues pruned to eliminate duplicates Z: 52 42.924 2.177 0.873 0.673 0.922 0.686 CB 1.363 52 residues pruned to eliminate duplicates Z: 26 40.054 2.165 1.038 0.751 1.000 0.640 CB 1.451 25 residues pruned to eliminate duplicates Z: 16 29.146 1.879 1.029 0.942 1.000 0.667 CB 1.369 15 residues pruned to eliminate duplicates Z: 26 26.735 1.995 0.553 0.903 1.000 0.640 CB 1.230 Z: 25 25.277 2.054 0.524 0.864 0.917 0.625 CB 1.319 25 residues pruned to eliminate duplicates Z: 39 36.138 2.081 0.669 0.792 0.947 0.711 CB 1.379 26 residues pruned to eliminate duplicates Z: 25 28.238 2.062 0.577 0.899 1.000 0.750 CB 1.267 25 residues pruned to eliminate duplicates Z: 38 39.746 2.126 0.720 0.814 0.973 0.649 CB 1.398 38 residues pruned to eliminate duplicates Z: 25 25.512 2.059 0.511 0.851 0.958 0.542 CB 1.293 25 residues pruned to eliminate duplicates Z: 29 30.167 2.033 0.761 0.752 0.929 0.750 CB 1.370 29 residues pruned to eliminate duplicates Z: 39 37.538 2.066 0.740 0.794 0.974 0.632 CB 1.345 39 residues pruned to eliminate duplicates Z: 38 38.216 2.112 0.719 0.790 0.973 0.568 CB 1.379 38 residues pruned to eliminate duplicates Z: 21 24.328 2.046 0.518 0.843 0.950 0.500 CB 1.373 21 residues pruned to eliminate duplicates Z: 51 36.122 2.048 0.673 0.715 0.920 0.580 CB 1.334 39 residues pruned to eliminate duplicates Z: 25 27.790 2.067 0.475 0.895 1.000 0.708 CB 1.333 25 residues pruned to eliminate duplicates Z: 38 39.764 2.111 0.738 0.793 1.000 0.649 CB 1.378 38 residues pruned to eliminate duplicates Z: 38 38.533 2.121 0.726 0.798 0.973 0.568 CB 1.370 38 residues pruned to eliminate duplicates Z: 38 40.385 2.112 0.781 0.804 0.973 0.676 CB 1.391 38 residues pruned to eliminate duplicates Z: 50 40.486 2.063 0.798 0.723 0.959 0.694 CB 1.330 50 residues pruned to eliminate duplicates Z: 26 27.612 2.060 0.679 0.868 1.000 0.600 CB 1.168 26 residues pruned to eliminate duplicates Z: 23 24.920 2.102 0.498 0.848 1.000 0.727 CB 1.252 23 residues pruned to eliminate duplicates Z: 11 11.414 1.793 1.070 0.692 0.900 0.700 CB 0.907 11 residues pruned to eliminate duplicates Z: 37 31.408 2.083 0.638 0.785 0.917 0.667 CB 1.303 37 residues pruned to eliminate duplicates Z: 37 37.426 2.134 0.706 0.774 0.972 0.639 CB 1.383 37 residues pruned to eliminate duplicates Z: 42 29.951 2.023 0.542 0.734 0.927 0.659 CB 1.311 42 residues pruned to eliminate duplicates Z: 40 34.811 2.078 0.632 0.779 0.974 0.718 CB 1.320 40 residues pruned to eliminate duplicates Z: 38 39.451 2.121 0.739 0.797 0.973 0.649 CB 1.392 38 residues pruned to eliminate duplicates 365 residues left after pruning, divided into chains as follows: A: 25 B: 11 C: 10 D: 13 E: 240 F: 15 G: 51 CC for partial structure against native data = 33.98 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.442, Connect. = 0.733 for dens.mod. cycle 1 = 0.300, Contrast = 0.503, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.589, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.593, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.601, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.604, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.609, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.610, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.613, Connect. = 0.789 for dens.mod. cycle 9 = 0.300, Contrast = 0.613, Connect. = 0.790 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2373 peaks > 0.5 sigma used to seed fragment search Space for about 538 unique residues taking solvent into account 566 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 32.894 1.985 0.767 0.846 1.000 0.769 CB 1.366 B: 52 39.852 2.102 0.710 0.698 0.922 0.667 CB 1.406 C: 26 39.488 2.052 0.895 0.910 1.000 0.880 CB 1.440 27 residues pruned to eliminate duplicates D: 41 45.566 2.164 0.812 0.776 0.925 0.675 CB 1.557 E: 40 51.563 2.214 0.792 0.777 1.000 0.667 CB 1.630 F: 82 66.194 2.227 0.948 0.675 0.926 0.679 CB 1.558 40 residues pruned to eliminate duplicates G: 18 44.061 2.309 1.016 0.921 1.000 0.882 CB 1.615 18 residues pruned to eliminate duplicates H: 17 44.266 2.328 0.997 0.889 1.000 0.750 CB 1.714 18 residues pruned to eliminate duplicates I: 27 36.580 2.000 1.026 0.844 0.962 0.692 CB 1.370 27 residues pruned to eliminate duplicates J: 41 45.106 2.209 0.905 0.666 0.975 0.800 CB 1.490 K: 81 59.235 2.179 0.808 0.696 0.963 0.663 CB 1.460 83 residues pruned to eliminate duplicates L: 26 37.356 2.216 0.720 0.901 0.960 0.600 CB 1.457 26 residues pruned to eliminate duplicates M: 37 39.284 2.180 0.595 0.799 0.972 0.750 CB 1.491 38 residues pruned to eliminate duplicates N: 26 34.281 2.166 0.699 0.860 0.960 0.560 CB 1.426 26 residues pruned to eliminate duplicates O: 43 37.997 2.153 0.884 0.632 0.929 0.667 CB 1.375 43 residues pruned to eliminate duplicates P: 48 40.833 2.132 0.750 0.596 0.936 0.745 CB 1.555 Q: 17 37.397 2.303 0.835 0.926 1.000 0.938 CB 1.551 17 residues pruned to eliminate duplicates R: 55 48.363 2.154 0.866 0.583 0.963 0.648 CB 1.571 48 residues pruned to eliminate duplicates S: 37 40.282 2.167 0.678 0.737 0.944 0.750 CB 1.581 37 residues pruned to eliminate duplicates T: 17 31.421 2.065 0.884 0.936 1.000 0.938 CB 1.406 17 residues pruned to eliminate duplicates U: 16 32.039 2.209 0.882 0.940 1.000 0.933 CB 1.382 16 residues pruned to eliminate duplicates V: 12 6.156 1.881 0.647 0.277 0.818 0.545 CB 0.942 12 residues pruned to eliminate duplicates W: 54 37.214 2.073 0.722 0.670 0.887 0.604 CB 1.380 54 residues pruned to eliminate duplicates X: 13 17.414 2.086 0.933 0.490 0.917 0.667 CB 1.373 13 residues pruned to eliminate duplicates Y: 51 49.309 2.004 1.122 0.698 0.980 0.640 CB 1.397 26 residues pruned to eliminate duplicates Z: 17 34.679 2.305 0.905 0.918 0.938 0.562 CB 1.485 17 residues pruned to eliminate duplicates Z: 60 48.488 2.087 1.015 0.597 0.949 0.576 CB 1.442 60 residues pruned to eliminate duplicates Z: 16 32.354 2.208 0.840 0.935 1.000 0.800 CB 1.432 16 residues pruned to eliminate duplicates Z: 17 43.643 2.287 1.257 0.896 0.938 0.688 CB 1.616 17 residues pruned to eliminate duplicates Z: 50 49.060 2.222 0.819 0.689 0.939 0.735 CB 1.554 50 residues pruned to eliminate duplicates Z: 54 52.381 2.187 0.898 0.620 0.981 0.623 CB 1.577 54 residues pruned to eliminate duplicates Z: 28 41.909 2.200 0.705 0.837 1.000 0.630 CB 1.608 28 residues pruned to eliminate duplicates Z: 14 15.606 1.995 0.659 0.556 0.923 0.692 CB 1.342 13 residues pruned to eliminate duplicates Z: 51 46.410 2.208 0.777 0.728 0.880 0.540 CB 1.548 52 residues pruned to eliminate duplicates Z: 36 41.748 2.226 0.735 0.785 0.943 0.743 CB 1.508 36 residues pruned to eliminate duplicates Z: 40 51.902 2.230 0.854 0.812 0.923 0.641 CB 1.659 40 residues pruned to eliminate duplicates Z: 17 24.797 1.906 1.080 0.646 0.938 0.750 CB 1.456 17 residues pruned to eliminate duplicates Z: 28 52.971 2.311 1.103 0.767 1.000 0.741 CB 1.656 28 residues pruned to eliminate duplicates Z: 14 18.613 2.004 1.055 0.468 1.000 0.769 CB 1.295 14 residues pruned to eliminate duplicates Z: 78 53.510 2.186 0.782 0.658 0.922 0.649 CB 1.465 78 residues pruned to eliminate duplicates Z: 9 9.725 1.892 0.773 0.379 0.875 0.625 CB 1.332 9 residues pruned to eliminate duplicates Z: 14 18.396 1.941 0.452 0.910 1.000 0.846 CB 1.283 14 residues pruned to eliminate duplicates Z: 28 32.987 2.094 0.581 0.884 0.963 0.741 CB 1.439 28 residues pruned to eliminate duplicates Z: 11 20.054 2.099 0.755 0.763 0.900 0.700 CB 1.514 11 residues pruned to eliminate duplicates Z: 15 16.840 1.862 0.488 0.924 1.000 0.857 CB 1.141 15 residues pruned to eliminate duplicates Z: 24 29.795 2.056 0.671 0.835 0.957 0.522 CB 1.416 24 residues pruned to eliminate duplicates Z: 26 23.684 2.106 0.704 0.423 0.920 0.600 CB 1.554 26 residues pruned to eliminate duplicates Z: 25 42.704 2.076 1.024 0.895 1.000 0.833 CB 1.488 25 residues pruned to eliminate duplicates Z: 17 28.358 2.083 0.838 0.905 1.000 0.875 CB 1.319 17 residues pruned to eliminate duplicates Z: 28 48.463 2.225 1.000 0.752 1.000 0.852 CB 1.674 28 residues pruned to eliminate duplicates Z: 28 36.920 2.094 0.966 0.742 1.000 0.815 CB 1.390 28 residues pruned to eliminate duplicates Z: 28 46.398 2.237 1.021 0.730 0.963 0.704 CB 1.667 28 residues pruned to eliminate duplicates Z: 16 13.797 1.829 0.337 0.884 0.933 0.933 CB 1.128 16 residues pruned to eliminate duplicates Z: 26 35.969 2.054 0.813 0.890 0.960 0.680 CB 1.448 26 residues pruned to eliminate duplicates Z: 27 42.083 2.197 0.850 0.885 0.923 0.731 CB 1.589 27 residues pruned to eliminate duplicates Z: 30 45.273 2.186 1.099 0.688 0.966 0.793 CB 1.597 30 residues pruned to eliminate duplicates Z: 28 38.073 2.175 0.727 0.850 0.926 0.630 CB 1.561 28 residues pruned to eliminate duplicates Z: 29 40.946 2.203 0.813 0.669 0.964 0.714 CB 1.718 29 residues pruned to eliminate duplicates Z: 52 46.263 2.251 0.685 0.731 0.922 0.647 CB 1.505 52 residues pruned to eliminate duplicates Z: 38 35.988 2.214 0.836 0.598 0.892 0.703 CB 1.486 38 residues pruned to eliminate duplicates Z: 38 35.219 2.149 0.571 0.806 0.946 0.730 CB 1.388 38 residues pruned to eliminate duplicates Z: 21 21.699 2.248 0.738 0.437 0.950 0.800 CB 1.395 21 residues pruned to eliminate duplicates Z: 54 51.128 2.227 0.851 0.685 0.906 0.585 CB 1.588 53 residues pruned to eliminate duplicates Z: 27 34.726 2.128 0.810 0.894 0.962 0.500 CB 1.320 27 residues pruned to eliminate duplicates Z: 28 40.336 2.190 0.635 0.868 1.000 0.556 CB 1.584 28 residues pruned to eliminate duplicates Z: 53 50.514 2.184 0.878 0.634 0.962 0.712 CB 1.566 53 residues pruned to eliminate duplicates Z: 17 28.852 2.118 0.784 0.910 1.000 0.875 CB 1.354 17 residues pruned to eliminate duplicates Z: 52 54.822 2.240 0.853 0.706 0.941 0.725 CB 1.630 52 residues pruned to eliminate duplicates Z: 20 37.561 2.217 0.894 0.843 1.000 0.842 CB 1.528 17 residues pruned to eliminate duplicates Z: 28 44.964 2.205 0.809 0.871 1.000 0.741 CB 1.582 28 residues pruned to eliminate duplicates Z: 57 36.252 2.049 0.854 0.551 0.911 0.625 CB 1.333 58 residues pruned to eliminate duplicates Z: 11 31.057 2.058 1.240 0.881 0.900 0.700 CB 1.714 11 residues pruned to eliminate duplicates Z: 13 13.898 2.005 0.569 0.495 0.833 0.500 CB 1.538 13 residues pruned to eliminate duplicates Z: 28 37.649 2.195 0.634 0.857 0.926 0.667 CB 1.609 28 residues pruned to eliminate duplicates Z: 13 33.408 2.053 1.304 0.848 1.000 0.917 CB 1.513 13 residues pruned to eliminate duplicates Z: 21 25.142 2.076 0.543 0.896 0.950 0.700 CB 1.323 21 residues pruned to eliminate duplicates Z: 26 41.116 2.052 0.963 0.896 1.000 0.840 CB 1.463 26 residues pruned to eliminate duplicates Z: 80 60.802 2.218 0.815 0.716 0.949 0.671 CB 1.472 80 residues pruned to eliminate duplicates Z: 17 34.248 2.267 0.800 0.911 1.000 0.562 CB 1.487 17 residues pruned to eliminate duplicates Z: 17 27.713 2.114 1.013 0.919 0.875 0.438 CB 1.311 17 residues pruned to eliminate duplicates Z: 14 19.097 2.023 0.955 0.525 1.000 0.692 CB 1.307 14 residues pruned to eliminate duplicates Z: 18 28.943 2.120 0.663 0.880 1.000 0.941 CB 1.442 18 residues pruned to eliminate duplicates Z: 53 55.100 2.187 1.003 0.644 0.981 0.635 CB 1.554 55 residues pruned to eliminate duplicates Z: 69 45.947 2.159 0.709 0.624 0.956 0.706 CB 1.405 69 residues pruned to eliminate duplicates Z: 27 35.215 2.133 0.630 0.882 0.923 0.577 CB 1.557 27 residues pruned to eliminate duplicates Z: 27 32.879 2.129 0.764 0.891 0.885 0.577 CB 1.395 27 residues pruned to eliminate duplicates Z: 70 43.207 2.072 0.975 0.537 0.870 0.638 CB 1.410 70 residues pruned to eliminate duplicates Z: 42 46.518 2.214 0.836 0.744 0.878 0.610 CB 1.636 42 residues pruned to eliminate duplicates Z: 74 54.352 2.224 0.829 0.646 0.918 0.685 CB 1.487 74 residues pruned to eliminate duplicates Z: 29 43.572 2.221 0.883 0.681 0.964 0.714 CB 1.729 29 residues pruned to eliminate duplicates Z: 12 20.563 2.122 0.855 0.737 0.909 0.909 CB 1.401 12 residues pruned to eliminate duplicates Z: 30 46.905 2.241 1.036 0.805 0.966 0.759 CB 1.515 30 residues pruned to eliminate duplicates Z: 51 37.034 2.121 0.625 0.707 0.960 0.640 CB 1.311 51 residues pruned to eliminate duplicates Z: 81 54.340 2.175 0.716 0.713 0.925 0.675 CB 1.451 81 residues pruned to eliminate duplicates Z: 24 24.701 1.960 0.797 0.689 0.957 0.739 CB 1.286 Z: 19 38.555 2.101 1.015 0.903 1.000 0.833 CA 1.530 19 residues pruned to eliminate duplicates Z: 25 18.188 2.068 0.683 0.461 0.833 0.458 CB 1.332 25 residues pruned to eliminate duplicates Z: 36 42.072 2.257 0.798 0.736 0.886 0.743 CB 1.602 36 residues pruned to eliminate duplicates Z: 54 48.816 2.182 0.851 0.609 0.962 0.717 CB 1.556 54 residues pruned to eliminate duplicates Z: 28 42.241 2.162 0.800 0.876 0.963 0.519 CB 1.577 28 residues pruned to eliminate duplicates Z: 18 31.699 1.996 1.265 0.913 0.941 0.647 CB 1.279 18 residues pruned to eliminate duplicates Z: 25 36.569 2.063 0.960 0.887 0.958 0.875 CB 1.389 25 residues pruned to eliminate duplicates Z: 11 25.435 2.247 0.838 0.751 1.000 1.000 CB 1.557 11 residues pruned to eliminate duplicates Z: 28 37.683 2.183 0.704 0.855 0.926 0.481 CB 1.554 28 residues pruned to eliminate duplicates Z: 25 35.999 2.035 0.920 0.905 0.958 0.833 CB 1.397 25 residues pruned to eliminate duplicates Z: 17 20.277 1.910 0.853 0.610 0.938 0.750 CB 1.376 16 residues pruned to eliminate duplicates Z: 41 43.893 2.022 0.993 0.805 0.950 0.800 CB 1.389 41 residues pruned to eliminate duplicates Z: 24 29.006 2.150 0.639 0.872 0.870 0.609 CB 1.438 24 residues pruned to eliminate duplicates Z: 39 37.968 2.130 0.627 0.806 0.974 0.684 CB 1.398 39 residues pruned to eliminate duplicates Z: 19 34.030 2.142 0.803 0.892 1.000 0.667 CB 1.492 19 residues pruned to eliminate duplicates Z: 26 47.872 2.281 0.866 0.905 0.960 0.760 CB 1.668 26 residues pruned to eliminate duplicates Z: 18 41.554 2.302 1.063 0.884 0.941 0.647 CB 1.628 18 residues pruned to eliminate duplicates Z: 13 11.697 1.863 0.501 0.523 0.917 0.583 CB 1.288 Z: 10 10.069 1.992 0.292 0.736 0.889 0.667 CB 1.186 Z: 53 55.442 2.224 0.842 0.727 0.962 0.635 CB 1.591 53 residues pruned to eliminate duplicates Z: 13 13.654 2.043 0.572 0.571 1.000 0.667 CB 1.146 13 residues pruned to eliminate duplicates Z: 26 47.769 2.300 0.828 0.911 0.960 0.760 CB 1.677 26 residues pruned to eliminate duplicates Z: 17 31.109 2.177 0.818 0.898 0.938 0.688 CB 1.499 17 residues pruned to eliminate duplicates Z: 25 40.321 2.096 1.095 0.876 1.000 0.708 CB 1.362 20 residues pruned to eliminate duplicates Z: 11 10.520 1.885 0.255 0.865 0.900 0.900 CB 1.145 11 residues pruned to eliminate duplicates Z: 17 32.480 2.161 1.089 0.862 0.938 0.625 CB 1.408 17 residues pruned to eliminate duplicates Z: 14 19.506 1.833 0.699 0.910 1.000 0.769 CB 1.232 14 residues pruned to eliminate duplicates Z: 18 35.151 2.283 1.027 0.907 0.882 0.765 CB 1.484 18 residues pruned to eliminate duplicates Z: 14 12.608 2.012 0.704 0.502 0.923 0.692 CB 1.102 14 residues pruned to eliminate duplicates Z: 27 33.524 2.146 0.754 0.896 0.923 0.654 CB 1.356 27 residues pruned to eliminate duplicates Z: 16 19.749 2.033 0.624 0.872 0.867 0.600 CB 1.300 16 residues pruned to eliminate duplicates Z: 14 25.754 1.962 1.072 0.775 0.923 0.769 CB 1.493 14 residues pruned to eliminate duplicates Z: 17 29.415 2.199 0.568 0.901 0.938 0.875 CA 1.623 17 residues pruned to eliminate duplicates Z: 38 39.091 2.202 0.578 0.731 0.946 0.703 CB 1.588 38 residues pruned to eliminate duplicates Z: 24 28.981 2.095 0.761 0.852 0.913 0.522 CB 1.326 24 residues pruned to eliminate duplicates Z: 51 41.938 2.152 0.714 0.721 0.920 0.600 CB 1.431 51 residues pruned to eliminate duplicates Z: 17 30.507 2.160 0.802 0.909 0.938 0.688 CB 1.484 17 residues pruned to eliminate duplicates Z: 12 13.218 1.932 0.423 0.791 1.000 0.727 CB 1.123 12 residues pruned to eliminate duplicates Z: 10 20.137 1.993 0.809 0.760 1.000 0.667 CB 1.478 19 residues pruned to eliminate duplicates Z: 16 36.706 2.354 1.103 0.933 0.867 0.533 CB 1.541 16 residues pruned to eliminate duplicates Z: 15 13.936 1.986 0.610 0.543 0.929 0.714 CB 1.203 15 residues pruned to eliminate duplicates Z: 25 32.385 1.972 0.869 0.762 1.000 0.917 CB 1.422 25 residues pruned to eliminate duplicates Z: 27 36.616 1.982 0.834 0.889 1.000 0.692 CB 1.422 27 residues pruned to eliminate duplicates Z: 16 21.175 2.229 0.519 0.508 1.000 0.800 CB 1.602 16 residues pruned to eliminate duplicates Z: 8 4.665 1.894 0.063 0.295 0.714 0.286 O 1.542 Z: 16 29.930 2.263 0.697 0.897 0.933 0.733 CB 1.543 16 residues pruned to eliminate duplicates Z: 27 34.501 1.985 0.843 0.890 0.962 0.769 CB 1.384 27 residues pruned to eliminate duplicates Z: 25 23.985 1.990 0.618 0.685 0.958 0.792 CB 1.339 25 residues pruned to eliminate duplicates Z: 33 23.798 2.177 0.676 0.485 0.875 0.562 CB 1.338 33 residues pruned to eliminate duplicates Z: 23 19.464 2.027 0.616 0.604 0.909 0.545 CB 1.262 23 residues pruned to eliminate duplicates Z: 14 23.991 1.856 0.844 0.944 1.000 0.923 CB 1.346 14 residues pruned to eliminate duplicates Z: 24 26.273 2.073 0.723 0.877 0.913 0.348 CB 1.220 24 residues pruned to eliminate duplicates Z: 24 23.602 2.052 0.456 0.878 0.957 0.739 CB 1.249 24 residues pruned to eliminate duplicates Z: 53 37.802 2.091 0.668 0.684 0.942 0.654 CB 1.348 53 residues pruned to eliminate duplicates Z: 43 36.621 2.129 0.784 0.650 0.952 0.786 CB 1.359 41 residues pruned to eliminate duplicates Z: 14 27.946 1.987 1.223 0.807 0.923 0.846 CB 1.454 14 residues pruned to eliminate duplicates Z: 27 29.572 2.120 0.620 0.885 0.923 0.654 CB 1.321 27 residues pruned to eliminate duplicates Z: 18 24.555 1.925 0.721 0.916 0.941 0.824 CB 1.349 18 residues pruned to eliminate duplicates Z: 25 37.385 2.054 0.848 0.915 1.000 0.875 CB 1.421 25 residues pruned to eliminate duplicates Z: 15 23.206 2.083 0.375 0.756 1.000 0.643 CA 1.724 15 residues pruned to eliminate duplicates Z: 28 48.889 2.286 0.999 0.730 1.000 0.852 CB 1.673 28 residues pruned to eliminate duplicates Z: 13 30.201 2.019 1.155 0.847 1.000 0.833 CB 1.488 13 residues pruned to eliminate duplicates Z: 26 32.259 1.930 0.816 0.901 0.960 0.840 CB 1.369 26 residues pruned to eliminate duplicates Z: 25 25.351 2.058 0.617 0.878 0.958 0.583 CB 1.177 25 residues pruned to eliminate duplicates Z: 29 34.599 2.110 0.729 0.822 0.893 0.500 CB 1.518 29 residues pruned to eliminate duplicates Z: 31 23.291 1.982 0.797 0.454 0.933 0.633 CB 1.341 31 residues pruned to eliminate duplicates Z: 15 22.877 1.824 0.852 0.935 1.000 0.929 CB 1.261 15 residues pruned to eliminate duplicates Z: 20 20.430 2.057 0.593 0.638 0.895 0.737 CB 1.405 20 residues pruned to eliminate duplicates Z: 26 30.450 2.152 0.703 0.886 0.920 0.440 CB 1.303 26 residues pruned to eliminate duplicates Z: 16 19.077 1.875 0.601 0.921 1.000 0.867 CB 1.155 16 residues pruned to eliminate duplicates Z: 28 47.904 2.288 0.922 0.744 1.000 0.926 CB 1.685 28 residues pruned to eliminate duplicates Z: 25 22.146 2.068 0.557 0.849 0.833 0.500 CB 1.249 25 residues pruned to eliminate duplicates Z: 51 46.419 2.038 0.922 0.724 0.980 0.640 CB 1.397 51 residues pruned to eliminate duplicates Z: 15 17.422 2.008 0.670 0.492 0.929 0.571 CB 1.507 15 residues pruned to eliminate duplicates Z: 14 19.745 1.820 0.769 0.927 1.000 0.846 CB 1.192 14 residues pruned to eliminate duplicates Z: 12 12.778 1.770 0.441 0.788 0.909 0.727 CB 1.290 12 residues pruned to eliminate duplicates Z: 25 27.478 2.068 0.645 0.897 0.917 0.625 CB 1.287 25 residues pruned to eliminate duplicates Z: 54 56.070 2.196 0.969 0.630 0.981 0.585 CB 1.606 54 residues pruned to eliminate duplicates Z: 30 49.310 2.251 1.128 0.710 0.966 0.793 CB 1.636 30 residues pruned to eliminate duplicates Z: 17 35.828 2.091 1.221 0.942 1.000 0.688 CB 1.337 17 residues pruned to eliminate duplicates Z: 26 33.920 2.135 0.709 0.887 1.000 0.480 CB 1.340 26 residues pruned to eliminate duplicates Z: 26 25.603 2.044 0.527 0.900 1.000 0.720 CB 1.172 26 residues pruned to eliminate duplicates Z: 52 39.356 2.100 0.724 0.702 0.961 0.569 CB 1.318 52 residues pruned to eliminate duplicates Z: 16 17.673 1.835 0.469 0.893 0.933 0.933 CB 1.302 16 residues pruned to eliminate duplicates Z: 25 25.907 2.073 0.539 0.844 0.917 0.542 CB 1.346 25 residues pruned to eliminate duplicates Z: 27 34.629 2.154 0.728 0.898 0.923 0.692 CB 1.414 27 residues pruned to eliminate duplicates Z: 11 9.605 2.022 -0.068 0.791 1.000 0.800 CB 1.249 11 residues pruned to eliminate duplicates Z: 25 31.371 2.038 0.581 0.927 1.000 0.708 CB 1.393 25 residues pruned to eliminate duplicates Z: 13 29.525 2.302 0.889 0.797 0.917 0.750 CB 1.648 13 residues pruned to eliminate duplicates Z: 14 27.339 2.271 0.770 0.707 0.923 0.692 CB 1.693 14 residues pruned to eliminate duplicates Z: 26 25.276 2.045 0.573 0.904 0.920 0.720 CB 1.217 26 residues pruned to eliminate duplicates Z: 11 2.506 1.745 0.117 0.265 0.700 0.200 CB 0.760 Z: 16 30.591 2.159 0.689 0.915 1.000 0.933 CB 1.531 16 residues pruned to eliminate duplicates Z: 28 41.841 2.179 0.825 0.857 0.963 0.370 CB 1.550 28 residues pruned to eliminate duplicates Z: 14 17.134 1.969 0.471 0.789 0.923 0.615 CA 1.379 14 residues pruned to eliminate duplicates Z: 27 37.695 1.979 0.915 0.923 0.962 0.885 CB 1.426 27 residues pruned to eliminate duplicates Z: 26 33.968 2.026 0.793 0.903 0.960 0.600 CB 1.389 26 residues pruned to eliminate duplicates Z: 15 23.059 1.824 0.871 0.927 1.000 0.857 CB 1.266 15 residues pruned to eliminate duplicates Z: 27 32.960 2.146 0.660 0.902 0.923 0.808 CB 1.403 27 residues pruned to eliminate duplicates Z: 11 27.797 2.245 1.105 0.620 1.000 0.800 CA 1.661 11 residues pruned to eliminate duplicates Z: 30 29.833 2.257 0.943 0.508 0.862 0.724 CB 1.454 30 residues pruned to eliminate duplicates Z: 13 18.672 2.061 0.810 0.789 1.000 0.583 CB 1.121 13 residues pruned to eliminate duplicates Z: 24 36.859 2.115 1.025 0.885 0.913 0.522 CB 1.419 24 residues pruned to eliminate duplicates Z: 11 18.452 1.889 0.759 0.799 1.000 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 11 14.789 1.815 0.993 0.594 0.900 0.600 CB 1.312 Z: 28 36.276 2.186 0.714 0.860 0.926 0.370 CB 1.480 28 residues pruned to eliminate duplicates Z: 36 36.661 2.169 0.820 0.691 0.914 0.829 CB 1.442 36 residues pruned to eliminate duplicates Z: 26 31.012 1.940 0.997 0.719 0.960 0.880 CB 1.367 26 residues pruned to eliminate duplicates Z: 11 8.772 1.697 0.809 0.475 0.900 0.500 CB 1.029 Z: 68 45.088 2.121 0.780 0.583 0.940 0.672 CB 1.433 109 residues pruned to eliminate duplicates Z: 13 33.067 2.074 1.298 0.835 1.000 0.833 CB 1.500 13 residues pruned to eliminate duplicates Z: 25 22.012 2.043 0.471 0.822 0.958 0.833 CB 1.180 25 residues pruned to eliminate duplicates Z: 25 35.372 2.049 0.824 0.906 1.000 0.625 CB 1.374 25 residues pruned to eliminate duplicates Z: 27 35.411 1.989 0.803 0.881 1.000 0.692 CB 1.402 27 residues pruned to eliminate duplicates Z: 28 30.628 2.168 0.849 0.534 0.926 0.556 CB 1.535 28 residues pruned to eliminate duplicates Z: 27 55.144 2.365 1.135 0.769 1.000 0.846 CB 1.688 27 residues pruned to eliminate duplicates Z: 27 32.238 2.157 0.599 0.828 0.885 0.577 CB 1.560 27 residues pruned to eliminate duplicates Z: 51 42.160 2.138 0.814 0.691 0.960 0.580 CB 1.345 51 residues pruned to eliminate duplicates Z: 27 34.789 2.151 0.706 0.845 0.885 0.615 CB 1.563 27 residues pruned to eliminate duplicates Z: 15 18.421 2.304 0.509 0.558 0.929 0.714 CB 1.442 15 residues pruned to eliminate duplicates Z: 12 12.942 1.867 0.607 0.560 1.000 0.636 CB 1.227 Z: 28 24.729 2.069 0.711 0.530 0.926 0.630 CB 1.409 28 residues pruned to eliminate duplicates Z: 26 30.125 2.100 0.688 0.868 0.880 0.760 CB 1.412 Z: 27 24.230 2.066 0.669 0.551 0.962 0.577 CB 1.364 27 residues pruned to eliminate duplicates Z: 95 61.980 2.141 0.932 0.600 0.926 0.628 CB 1.519 29 residues pruned to eliminate duplicates Z: 28 33.233 2.183 0.684 0.863 0.815 0.556 CB 1.567 28 residues pruned to eliminate duplicates Z: 8 3.478 1.719 -0.314 0.700 0.857 0.857 CB 1.084 Z: 28 27.776 2.036 0.526 0.880 0.963 0.667 CB 1.295 28 residues pruned to eliminate duplicates Z: 13 25.987 1.872 1.136 0.919 1.000 0.917 CB 1.323 13 residues pruned to eliminate duplicates Z: 26 31.782 2.128 0.635 0.879 0.960 0.680 CB 1.380 26 residues pruned to eliminate duplicates Z: 13 18.225 2.137 0.654 0.538 0.917 0.667 CB 1.565 13 residues pruned to eliminate duplicates Z: 11 12.177 1.753 0.467 0.882 1.000 0.800 CB 1.084 11 residues pruned to eliminate duplicates Z: 27 45.844 2.145 0.920 0.894 1.000 0.769 CB 1.565 27 residues pruned to eliminate duplicates Z: 11 12.591 2.059 0.189 0.820 1.000 0.800 CB 1.233 11 residues pruned to eliminate duplicates Z: 90 49.507 1.999 0.864 0.624 0.899 0.607 CB 1.394 90 residues pruned to eliminate duplicates Z: 19 25.346 2.056 0.641 0.796 0.944 0.667 CB 1.447 19 residues pruned to eliminate duplicates Z: 11 9.876 1.863 0.681 0.502 0.900 0.500 CB 1.105 11 residues pruned to eliminate duplicates Z: 10 4.657 1.845 -0.141 0.697 0.889 0.889 CB 0.921 8 residues pruned to eliminate duplicates Z: 17 35.444 2.146 0.804 0.938 1.000 0.938 CB 1.592 18 residues pruned to eliminate duplicates Z: 9 3.797 1.603 -0.214 0.476 0.875 0.500 O 1.248 Z: 51 38.761 2.132 0.669 0.697 0.920 0.660 CB 1.399 51 residues pruned to eliminate duplicates Z: 54 50.240 2.138 0.933 0.641 0.943 0.679 CB 1.551 54 residues pruned to eliminate duplicates Z: 54 48.768 2.185 0.774 0.704 0.925 0.642 CB 1.553 54 residues pruned to eliminate duplicates Z: 26 34.130 2.037 0.808 0.874 0.960 0.800 CB 1.405 26 residues pruned to eliminate duplicates Z: 49 50.287 2.173 0.922 0.647 0.938 0.833 CB 1.615 49 residues pruned to eliminate duplicates Z: 13 19.304 2.033 0.860 0.554 1.000 0.750 CB 1.398 13 residues pruned to eliminate duplicates Z: 9 6.624 1.827 -0.114 0.759 1.000 0.875 CB 1.149 10 residues pruned to eliminate duplicates Z: 26 34.488 2.134 0.664 0.883 1.000 0.760 CB 1.405 26 residues pruned to eliminate duplicates Z: 61 51.758 2.080 0.939 0.615 0.933 0.750 CB 1.592 61 residues pruned to eliminate duplicates Z: 15 17.664 1.889 0.428 0.921 1.000 0.786 CB 1.231 15 residues pruned to eliminate duplicates Z: 14 10.175 1.746 0.691 0.538 0.923 0.692 CB 0.997 14 residues pruned to eliminate duplicates Z: 37 48.282 2.207 0.846 0.766 0.972 0.750 CB 1.604 37 residues pruned to eliminate duplicates Z: 25 38.698 2.057 0.874 0.902 1.000 0.667 CB 1.462 25 residues pruned to eliminate duplicates Z: 26 24.051 2.050 0.578 0.881 0.920 0.840 CB 1.171 26 residues pruned to eliminate duplicates Z: 19 20.824 1.872 0.460 0.880 0.944 0.889 CB 1.378 19 residues pruned to eliminate duplicates Z: 28 35.412 2.094 1.026 0.715 0.963 0.741 CB 1.372 28 residues pruned to eliminate duplicates Z: 17 33.052 2.103 1.162 0.828 1.000 0.500 CB 1.368 17 residues pruned to eliminate duplicates Z: 16 11.530 1.763 0.421 0.448 1.000 0.733 CB 1.254 16 residues pruned to eliminate duplicates Z: 37 39.436 2.221 0.637 0.777 0.917 0.750 CB 1.545 24 residues pruned to eliminate duplicates Z: 15 26.303 2.093 1.031 0.736 0.929 0.714 CB 1.441 15 residues pruned to eliminate duplicates Z: 26 54.332 2.389 1.061 0.806 1.000 0.760 CB 1.690 26 residues pruned to eliminate duplicates Z: 18 39.452 2.227 1.131 0.938 1.000 0.588 CB 1.402 18 residues pruned to eliminate duplicates Z: 13 10.948 1.847 0.040 0.874 1.000 0.750 CB 1.197 13 residues pruned to eliminate duplicates Z: 8 7.850 1.951 -0.007 0.884 0.857 0.571 CB 1.291 8 residues pruned to eliminate duplicates Z: 29 26.464 2.075 0.862 0.450 1.000 0.571 CB 1.362 29 residues pruned to eliminate duplicates Z: 10 5.708 1.494 0.266 0.518 0.889 0.667 CB 1.111 Z: 34 42.436 2.232 1.115 0.641 0.909 0.636 CB 1.509 34 residues pruned to eliminate duplicates Z: 6 3.128 1.585 0.581 0.550 0.800 0.800 CB 0.665 Z: 11 12.740 2.064 0.086 0.770 1.000 0.800 CB 1.415 11 residues pruned to eliminate duplicates Z: 25 27.364 2.057 0.827 0.886 0.917 0.375 CB 1.170 25 residues pruned to eliminate duplicates Z: 15 25.857 1.916 1.028 0.907 1.000 0.857 CB 1.265 15 residues pruned to eliminate duplicates Z: 14 20.777 1.817 0.688 0.914 1.000 0.923 CB 1.330 14 residues pruned to eliminate duplicates Z: 14 21.838 1.849 0.788 0.931 1.000 1.000 CB 1.280 14 residues pruned to eliminate duplicates Z: 17 21.674 1.879 0.829 0.892 0.875 0.562 CB 1.294 17 residues pruned to eliminate duplicates Z: 16 24.790 1.909 0.787 0.932 1.000 0.800 CB 1.311 16 residues pruned to eliminate duplicates Z: 28 40.172 2.145 0.758 0.876 0.963 0.778 CB 1.547 28 residues pruned to eliminate duplicates Z: 11 16.655 2.071 0.467 0.775 1.000 0.500 CB 1.360 11 residues pruned to eliminate duplicates Z: 26 37.544 2.029 1.012 0.915 0.920 0.480 CB 1.413 26 residues pruned to eliminate duplicates Z: 12 5.805 1.828 0.150 0.345 0.818 0.636 CB 1.204 12 residues pruned to eliminate duplicates Z: 27 35.250 2.174 0.641 0.889 0.923 0.846 CB 1.512 26 residues pruned to eliminate duplicates Z: 7 6.841 1.336 0.628 0.720 1.000 0.500 CA 1.052 7 residues pruned to eliminate duplicates Z: 14 23.482 1.970 0.978 0.919 0.923 0.615 CB 1.276 14 residues pruned to eliminate duplicates Z: 7 3.264 1.651 0.245 0.326 0.667 0.500 CB 1.177 7 residues pruned to eliminate duplicates Z: 9 8.280 1.930 0.206 0.786 0.875 0.875 CB 1.117 9 residues pruned to eliminate duplicates Z: 27 40.384 2.132 0.749 0.907 0.962 0.731 CB 1.571 26 residues pruned to eliminate duplicates Z: 14 14.500 1.914 0.813 0.515 0.846 0.692 CB 1.349 14 residues pruned to eliminate duplicates Z: 27 39.891 2.109 0.735 0.888 1.000 0.538 CB 1.541 27 residues pruned to eliminate duplicates Z: 14 22.125 1.901 0.882 0.679 1.000 0.769 CB 1.455 14 residues pruned to eliminate duplicates Z: 55 52.914 2.169 1.037 0.608 0.963 0.667 CB 1.528 55 residues pruned to eliminate duplicates Z: 7 4.422 1.719 -0.302 0.629 1.000 0.833 CB 1.332 9 residues pruned to eliminate duplicates Z: 10 6.732 1.694 0.094 0.607 1.000 0.889 CB 1.094 Z: 6 2.536 1.725 -0.172 0.541 0.600 0.600 C 1.271 6 residues pruned to eliminate duplicates Z: 9 7.213 1.667 0.270 0.453 0.875 0.375 CB 1.445 6 1.623 1.861 -0.496 0.755 1.000 1.000 CB 0.617 ? Z: 40 37.693 2.162 0.704 0.682 0.949 0.795 CB 1.461 40 residues pruned to eliminate duplicates Z: 7 15.915 2.089 1.150 0.877 1.000 1.000 CB 1.050 Z: 6 2.656 1.722 -0.390 0.419 1.000 0.400 CB 1.230 4 residues pruned to eliminate duplicates Z: 7 12.213 1.935 0.791 0.700 0.833 0.833 CB 1.439 7 residues pruned to eliminate duplicates Z: 14 28.378 1.958 1.366 0.792 1.000 0.846 CB 1.315 14 residues pruned to eliminate duplicates Z: 37 32.824 2.165 0.396 0.694 0.972 0.722 CB 1.559 37 residues pruned to eliminate duplicates Z: 21 23.807 2.080 0.383 0.810 0.850 0.600 CB 1.662 21 residues pruned to eliminate duplicates Z: 11 14.134 2.065 0.336 0.785 0.900 0.700 CB 1.401 11 residues pruned to eliminate duplicates Z: 11 11.866 1.961 0.229 0.774 0.800 0.600 CB 1.528 11 residues pruned to eliminate duplicates Z: 43 49.320 2.206 0.910 0.750 0.905 0.643 CB 1.597 43 residues pruned to eliminate duplicates Z: 26 42.148 2.170 0.957 0.746 1.000 0.840 CB 1.593 26 residues pruned to eliminate duplicates Z: 11 15.012 2.015 0.359 0.760 1.000 0.700 CB 1.375 11 residues pruned to eliminate duplicates Z: 15 11.943 1.953 0.699 0.385 0.857 0.500 CB 1.269 15 residues pruned to eliminate duplicates Z: 9 11.778 1.880 0.617 0.872 1.000 1.000 CB 0.999 9 residues pruned to eliminate duplicates Z: 19 37.214 2.159 0.886 0.845 1.000 0.500 CB 1.602 19 residues pruned to eliminate duplicates Z: 15 31.215 2.256 0.714 0.895 1.000 0.571 CB 1.548 15 residues pruned to eliminate duplicates Z: 9 9.718 2.036 -0.053 0.728 1.000 0.875 CB 1.451 9 residues pruned to eliminate duplicates Z: 12 29.291 2.143 0.894 0.868 1.000 0.818 CB 1.591 12 residues pruned to eliminate duplicates Z: 53 38.306 2.100 0.638 0.688 0.923 0.577 CB 1.408 53 residues pruned to eliminate duplicates Z: 6 2.568 1.553 0.885 0.286 0.600 0.400 CB 0.832 Z: 15 15.677 1.784 0.403 0.903 1.000 0.857 CB 1.193 15 residues pruned to eliminate duplicates Z: 23 18.161 1.801 0.786 0.505 0.909 0.727 CB 1.318 23 residues pruned to eliminate duplicates Z: 7 5.800 1.766 0.108 0.615 0.833 0.833 N 1.302 9 residues pruned to eliminate duplicates Z: 101 64.884 2.167 0.846 0.634 0.930 0.570 CB 1.538 70 residues pruned to eliminate duplicates Z: 6 3.393 1.649 0.284 0.487 0.600 0.600 C 1.211 Z: 37 39.182 2.173 0.710 0.763 0.944 0.639 CB 1.473 37 residues pruned to eliminate duplicates Z: 39 40.875 2.166 0.602 0.810 0.947 0.684 CB 1.540 39 residues pruned to eliminate duplicates Z: 16 19.087 1.824 0.841 0.885 0.933 0.733 CB 1.135 16 residues pruned to eliminate duplicates Z: 14 8.601 1.673 0.779 0.288 0.769 0.538 CB 1.322 14 residues pruned to eliminate duplicates Z: 92 62.252 2.167 0.826 0.639 0.967 0.670 CB 1.498 92 residues pruned to eliminate duplicates Z: 11 15.067 1.769 0.660 0.874 1.000 0.900 CA 1.181 11 residues pruned to eliminate duplicates Z: 17 29.579 2.129 0.749 0.902 1.000 0.625 CB 1.417 17 residues pruned to eliminate duplicates Z: 18 28.708 2.238 0.707 0.868 0.941 0.706 CB 1.416 18 residues pruned to eliminate duplicates Z: 8 3.709 1.779 0.064 0.247 0.857 0.286 CB 1.156 Z: 25 28.697 2.070 0.658 0.905 0.958 0.625 CB 1.268 25 residues pruned to eliminate duplicates Z: 29 34.795 2.225 0.689 0.801 0.929 0.536 CB 1.449 29 residues pruned to eliminate duplicates Z: 11 22.049 2.040 0.756 0.637 1.000 0.600 CB 1.712 11 residues pruned to eliminate duplicates Z: 16 32.339 2.237 0.816 0.912 0.933 0.733 CB 1.560 16 residues pruned to eliminate duplicates Z: 28 42.220 2.155 0.864 0.847 0.926 0.704 CB 1.622 28 residues pruned to eliminate duplicates Z: 43 52.489 2.204 0.925 0.756 0.929 0.714 CB 1.637 43 residues pruned to eliminate duplicates Z: 14 20.212 1.870 0.918 0.749 1.000 0.846 CB 1.251 14 residues pruned to eliminate duplicates 6 1.695 1.179 0.335 0.720 0.800 0.800 CB 0.494 ? Z: 14 24.609 1.942 0.882 0.933 1.000 0.923 CB 1.303 14 residues pruned to eliminate duplicates Z: 7 6.145 1.581 0.033 0.881 1.000 1.000 CB 1.112 Z: 22 28.737 1.902 0.878 0.774 1.000 0.857 CB 1.378 22 residues pruned to eliminate duplicates Z: 13 25.197 1.867 0.964 0.922 1.000 0.917 CB 1.395 13 residues pruned to eliminate duplicates Z: 10 12.431 1.986 0.488 0.855 0.778 0.667 CB 1.331 11 residues pruned to eliminate duplicates Z: 7 11.757 2.033 0.952 0.847 1.000 1.000 CB 0.898 Z: 13 14.366 1.896 0.911 0.670 0.833 0.667 CB 1.174 13 residues pruned to eliminate duplicates Z: 11 9.384 1.516 0.931 0.612 0.800 0.700 CB 1.140 11 residues pruned to eliminate duplicates Z: 49 28.482 2.053 0.473 0.692 0.917 0.604 CB 1.244 49 residues pruned to eliminate duplicates Z: 7 5.281 1.747 -0.034 0.692 1.000 0.667 CB 1.071 8 residues pruned to eliminate duplicates Z: 30 47.459 2.239 1.008 0.800 0.966 0.655 CB 1.562 30 residues pruned to eliminate duplicates Z: 11 10.487 1.838 0.269 0.829 0.900 0.300 CB 1.188 11 residues pruned to eliminate duplicates Z: 15 19.768 1.692 0.784 0.776 1.000 0.786 CB 1.372 15 residues pruned to eliminate duplicates Z: 15 21.887 1.803 0.848 0.933 1.000 0.714 CB 1.225 15 residues pruned to eliminate duplicates Z: 21 13.950 1.673 0.573 0.568 1.000 0.600 CB 1.111 18 residues pruned to eliminate duplicates Z: 12 11.934 1.719 0.996 0.582 0.909 0.636 CB 1.066 12 residues pruned to eliminate duplicates Z: 25 27.803 2.065 0.715 0.909 0.917 0.708 CB 1.241 25 residues pruned to eliminate duplicates Z: 6 3.941 1.402 0.063 0.745 0.800 0.400 CB 1.187 Z: 25 27.080 2.021 0.478 0.900 0.958 0.458 CB 1.380 25 residues pruned to eliminate duplicates Z: 24 28.757 2.086 0.483 0.875 1.000 0.696 CB 1.410 24 residues pruned to eliminate duplicates Z: 9 18.576 2.005 0.716 0.704 1.000 0.750 CB 1.585 9 residues pruned to eliminate duplicates Z: 6 4.680 1.879 1.071 0.441 0.800 0.400 CB 0.715 Z: 14 24.392 1.799 1.154 0.928 1.000 0.769 CB 1.223 14 residues pruned to eliminate duplicates Z: 52 36.535 1.905 0.996 0.688 0.902 0.549 CB 1.256 52 residues pruned to eliminate duplicates Z: 28 30.499 1.994 0.653 0.861 0.963 0.704 CB 1.358 28 residues pruned to eliminate duplicates Z: 46 22.855 1.849 0.665 0.503 0.889 0.622 CB 1.242 46 residues pruned to eliminate duplicates Z: 17 37.520 2.167 1.077 0.953 1.000 0.750 CB 1.435 17 residues pruned to eliminate duplicates Z: 29 48.295 2.265 1.007 0.809 0.964 0.893 CB 1.591 29 residues pruned to eliminate duplicates Z: 12 10.441 1.683 0.356 0.778 0.818 0.636 CB 1.320 Z: 14 25.263 1.922 1.158 0.871 0.923 0.462 CB 1.335 14 residues pruned to eliminate duplicates Z: 6 4.497 1.680 0.447 0.320 0.800 0.600 N 1.261 3 residues pruned to eliminate duplicates Z: 18 39.356 2.267 1.132 0.920 1.000 0.765 CB 1.390 18 residues pruned to eliminate duplicates Z: 17 25.269 2.115 0.592 0.891 1.000 0.812 CB 1.349 17 residues pruned to eliminate duplicates Z: 14 25.548 1.854 1.086 0.939 1.000 1.000 CB 1.273 14 residues pruned to eliminate duplicates Z: 16 22.257 1.824 0.930 0.937 1.000 0.800 CB 1.136 16 residues pruned to eliminate duplicates Z: 33 29.723 2.032 0.765 0.601 0.938 0.656 CB 1.419 33 residues pruned to eliminate duplicates Z: 17 19.152 1.925 0.708 0.899 0.938 0.812 CB 1.110 17 residues pruned to eliminate duplicates Z: 12 38.112 2.311 1.155 0.839 1.000 0.909 CB 1.723 12 residues pruned to eliminate duplicates Z: 27 27.525 1.990 0.734 0.603 0.923 0.808 CB 1.537 32 residues pruned to eliminate duplicates Z: 16 17.323 1.797 0.292 0.916 1.000 0.933 CB 1.361 16 residues pruned to eliminate duplicates Z: 27 23.823 2.047 0.551 0.816 0.846 0.538 CB 1.321 27 residues pruned to eliminate duplicates Z: 16 16.722 1.819 0.507 0.860 0.933 0.600 CB 1.241 16 residues pruned to eliminate duplicates Z: 10 12.525 1.921 0.364 0.866 1.000 0.778 CB 1.167 10 residues pruned to eliminate duplicates Z: 25 22.758 1.759 0.935 0.643 0.958 0.792 CB 1.246 25 residues pruned to eliminate duplicates Z: 25 25.899 2.057 0.742 0.874 0.917 0.667 CB 1.172 25 residues pruned to eliminate duplicates Z: 7 4.162 1.668 0.948 0.609 0.833 0.833 CB 0.565 Z: 12 3.865 1.482 -0.031 0.478 0.818 0.455 CB 1.014 Z: 6 4.853 1.911 -0.147 0.752 1.000 0.400 CB 1.064 6 residues pruned to eliminate duplicates Z: 26 36.290 2.150 0.706 0.919 1.000 0.840 CB 1.395 26 residues pruned to eliminate duplicates Z: 15 8.581 1.683 0.545 0.452 0.857 0.500 CB 1.081 15 residues pruned to eliminate duplicates Z: 20 12.865 1.649 0.623 0.564 0.947 0.684 CB 1.095 19 residues pruned to eliminate duplicates Z: 14 20.235 1.754 1.054 0.909 1.000 0.769 CB 1.105 14 residues pruned to eliminate duplicates Z: 13 17.638 1.833 0.448 0.932 1.000 1.000 CB 1.339 13 residues pruned to eliminate duplicates Z: 8 3.749 1.838 -0.224 0.823 1.000 1.000 CB 0.751 8 residues pruned to eliminate duplicates Z: 28 41.718 2.203 0.904 0.734 0.963 0.741 CB 1.610 28 residues pruned to eliminate duplicates Z: 27 29.098 1.924 0.700 0.904 0.962 0.692 CB 1.292 27 residues pruned to eliminate duplicates Z: 41 44.741 2.226 0.873 0.654 0.950 0.750 CB 1.547 41 residues pruned to eliminate duplicates Z: 22 20.918 1.878 0.769 0.654 0.905 0.714 CB 1.316 21 residues pruned to eliminate duplicates Z: 54 51.374 2.170 0.850 0.643 1.000 0.660 CB 1.539 54 residues pruned to eliminate duplicates Z: 54 41.832 2.139 0.675 0.588 0.943 0.698 CB 1.562 54 residues pruned to eliminate duplicates Z: 12 9.284 1.815 0.730 0.523 0.727 0.636 CB 1.199 12 residues pruned to eliminate duplicates Z: 53 45.918 2.055 0.993 0.719 0.923 0.712 CB 1.382 53 residues pruned to eliminate duplicates Z: 11 17.421 1.971 1.013 0.606 0.900 0.600 CB 1.395 11 residues pruned to eliminate duplicates Z: 12 7.953 1.739 0.207 0.487 1.000 0.636 CB 1.157 12 residues pruned to eliminate duplicates Z: 9 14.443 1.773 0.557 0.795 1.000 0.875 CA 1.429 9 residues pruned to eliminate duplicates Z: 15 22.541 2.021 0.828 0.721 0.929 0.714 CB 1.438 15 residues pruned to eliminate duplicates Z: 6 3.987 1.665 0.377 0.597 0.800 0.600 CB 0.886 5 residues pruned to eliminate duplicates Z: 16 21.949 1.870 1.014 0.918 1.000 0.333 CB 1.061 16 residues pruned to eliminate duplicates Z: 30 49.019 2.152 1.090 0.790 1.000 0.690 CB 1.569 30 residues pruned to eliminate duplicates Z: 15 8.902 1.783 0.914 0.371 0.714 0.500 CA 1.120 Z: 25 14.749 1.931 0.623 0.473 0.833 0.708 CB 1.185 38 residues pruned to eliminate duplicates 7 1.179 1.226 0.041 0.334 1.000 0.333 N 0.452 ? Z: 7 5.332 1.623 0.097 0.864 1.000 1.000 CA 0.896 7 residues pruned to eliminate duplicates Z: 11 19.878 1.985 0.720 0.683 1.000 0.800 CB 1.557 11 residues pruned to eliminate duplicates Z: 30 37.984 2.135 0.760 0.749 1.000 0.828 CB 1.503 29 residues pruned to eliminate duplicates Z: 76 60.922 2.185 0.878 0.655 0.947 0.653 CB 1.567 76 residues pruned to eliminate duplicates Z: 11 13.652 1.825 0.553 0.748 0.900 0.800 CB 1.357 11 residues pruned to eliminate duplicates Z: 46 47.225 2.095 0.836 0.737 0.956 0.756 CB 1.548 62 residues pruned to eliminate duplicates Z: 24 27.921 1.933 0.804 0.798 1.000 0.870 CB 1.286 24 residues pruned to eliminate duplicates Z: 6 3.586 1.588 0.080 0.809 0.800 0.800 CA 0.892 6 residues pruned to eliminate duplicates Z: 14 17.459 1.777 0.620 0.917 1.000 0.692 CB 1.187 14 residues pruned to eliminate duplicates Z: 15 8.984 1.799 0.461 0.538 0.929 0.714 CB 0.948 Z: 13 24.710 1.889 0.950 0.935 1.000 0.917 CB 1.349 13 residues pruned to eliminate duplicates Z: 6 6.778 1.676 0.145 0.801 1.000 0.800 CB 1.214 7 residues pruned to eliminate duplicates Z: 10 3.332 1.458 0.200 0.338 0.778 0.556 CB 0.974 Z: 16 19.241 1.958 0.621 0.913 1.000 0.933 CB 1.108 16 residues pruned to eliminate duplicates Z: 6 6.294 1.665 0.173 0.888 1.000 1.000 CA 1.038 6 residues pruned to eliminate duplicates Z: 18 23.501 2.135 0.712 0.511 0.941 0.706 CA 1.639 18 residues pruned to eliminate duplicates Z: 12 5.434 1.568 0.419 0.310 0.909 0.455 CB 1.000 12 residues pruned to eliminate duplicates Z: 116 53.904 2.077 0.771 0.539 0.922 0.617 CB 1.427 116 residues pruned to eliminate duplicates Z: 11 12.924 1.886 0.769 0.831 1.000 0.800 CB 0.921 11 residues pruned to eliminate duplicates 6 1.773 1.354 0.604 0.294 0.600 0.400 CB 0.766 ? Z: 24 20.987 2.044 0.489 0.827 0.826 0.652 CB 1.311 24 residues pruned to eliminate duplicates Z: 15 18.311 1.864 0.613 0.914 1.000 0.643 CB 1.151 15 residues pruned to eliminate duplicates Z: 11 14.198 1.885 0.518 0.829 0.900 0.700 CB 1.311 11 residues pruned to eliminate duplicates Z: 36 33.973 2.184 0.656 0.636 0.971 0.743 CB 1.438 36 residues pruned to eliminate duplicates Z: 54 53.766 2.133 1.002 0.667 0.943 0.736 CB 1.570 54 residues pruned to eliminate duplicates 6 0.941 1.469 0.248 0.424 0.800 0.400 CB 0.310 ? Z: 14 23.730 1.964 0.687 0.944 1.000 1.000 CB 1.376 14 residues pruned to eliminate duplicates Z: 14 16.455 2.012 0.296 0.907 1.000 0.769 CB 1.245 14 residues pruned to eliminate duplicates Z: 40 32.147 2.197 0.595 0.711 0.846 0.538 CB 1.433 79 residues pruned to eliminate duplicates Z: 9 10.553 1.807 0.988 0.538 0.750 0.750 N 1.334 Z: 12 12.387 1.849 0.346 0.798 0.818 0.636 CA 1.414 12 residues pruned to eliminate duplicates Z: 14 23.608 1.950 0.996 0.688 1.000 0.692 CB 1.417 14 residues pruned to eliminate duplicates Z: 54 53.351 2.185 0.960 0.654 0.943 0.679 CB 1.571 54 residues pruned to eliminate duplicates Z: 13 14.822 1.985 0.458 0.584 1.000 0.750 CB 1.364 13 residues pruned to eliminate duplicates Z: 61 44.099 2.152 0.805 0.574 0.917 0.683 CB 1.488 61 residues pruned to eliminate duplicates Z: 6 2.618 1.683 -0.560 0.745 1.000 0.800 CB 1.269 6 residues pruned to eliminate duplicates Z: 7 3.925 1.613 0.447 0.369 0.833 0.667 CB 0.947 7 residues pruned to eliminate duplicates Z: 31 41.157 2.144 0.788 0.729 1.000 0.867 CB 1.595 Z: 15 13.573 1.819 0.813 0.556 0.929 0.500 CB 1.122 15 residues pruned to eliminate duplicates Z: 14 6.917 1.788 0.264 0.552 0.846 0.538 CB 0.954 14 residues pruned to eliminate duplicates Z: 18 18.543 1.985 0.691 0.644 0.824 0.706 CB 1.423 18 residues pruned to eliminate duplicates Z: 17 19.373 1.902 0.552 0.914 0.938 0.812 CB 1.237 17 residues pruned to eliminate duplicates Z: 18 28.590 2.119 0.900 0.621 1.000 0.765 CB 1.537 20 residues pruned to eliminate duplicates Z: 6 3.377 1.115 0.513 0.681 1.000 0.600 CB 0.759 Z: 13 19.160 2.110 0.870 0.876 0.833 0.417 CB 1.222 13 residues pruned to eliminate duplicates Z: 25 30.490 2.125 0.645 0.861 0.875 0.583 CB 1.495 16 residues pruned to eliminate duplicates Z: 16 16.572 2.087 0.646 0.545 0.867 0.533 CB 1.376 16 residues pruned to eliminate duplicates Z: 26 25.900 2.042 0.556 0.877 1.000 0.680 CB 1.184 26 residues pruned to eliminate duplicates Z: 8 14.945 1.947 0.722 0.779 1.000 1.000 N 1.317 Z: 8 7.602 1.668 0.499 0.635 1.000 0.714 CB 1.012 8 residues pruned to eliminate duplicates Z: 7 5.408 1.632 0.014 0.872 1.000 1.000 CA 0.972 7 residues pruned to eliminate duplicates Z: 11 6.308 1.732 0.020 0.528 0.900 0.700 CB 1.221 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 26 31.568 1.975 0.868 0.725 1.000 0.880 CB 1.397 26 residues pruned to eliminate duplicates Z: 11 26.482 2.242 1.159 0.674 0.900 0.800 CB 1.637 12 residues pruned to eliminate duplicates Z: 7 8.676 1.831 1.142 0.429 0.667 0.333 O 1.459 7 residues pruned to eliminate duplicates Z: 12 23.059 2.170 0.975 0.680 0.909 0.727 CB 1.513 12 residues pruned to eliminate duplicates Z: 12 22.950 2.147 0.954 0.673 0.909 0.818 CB 1.548 12 residues pruned to eliminate duplicates Z: 15 17.505 1.950 0.780 0.524 0.929 0.714 CA 1.418 15 residues pruned to eliminate duplicates Z: 26 34.995 1.998 0.997 0.759 1.000 0.880 CB 1.393 26 residues pruned to eliminate duplicates Z: 26 35.441 1.991 0.979 0.817 1.000 0.960 CB 1.366 26 residues pruned to eliminate duplicates Z: 18 21.077 1.834 0.632 0.786 1.000 0.765 CB 1.328 18 residues pruned to eliminate duplicates Z: 26 33.716 1.968 0.949 0.765 1.000 0.800 CB 1.390 26 residues pruned to eliminate duplicates Z: 26 33.666 1.980 0.911 0.794 1.000 0.800 CB 1.375 26 residues pruned to eliminate duplicates Z: 26 32.677 1.975 0.933 0.759 1.000 0.880 CB 1.360 26 residues pruned to eliminate duplicates Z: 28 28.217 1.952 0.740 0.679 0.963 0.704 CB 1.408 28 residues pruned to eliminate duplicates Z: 26 32.660 1.994 0.937 0.738 1.000 0.800 CB 1.366 26 residues pruned to eliminate duplicates Z: 26 31.569 1.986 0.860 0.737 1.000 0.840 CB 1.381 26 residues pruned to eliminate duplicates Z: 27 32.633 1.928 1.062 0.770 0.962 0.808 CB 1.318 27 residues pruned to eliminate duplicates Z: 26 34.477 2.000 0.999 0.771 1.000 0.800 CB 1.356 26 residues pruned to eliminate duplicates Z: 25 33.592 1.989 1.080 0.785 0.958 0.917 CB 1.346 25 residues pruned to eliminate duplicates Z: 25 35.090 2.013 1.044 0.762 1.000 0.917 CB 1.379 25 residues pruned to eliminate duplicates Z: 27 32.485 1.941 1.009 0.775 0.962 0.808 CB 1.332 27 residues pruned to eliminate duplicates Z: 14 27.212 1.853 1.209 0.935 1.000 0.692 CB 1.284 14 residues pruned to eliminate duplicates Z: 12 13.203 1.847 0.681 0.739 0.909 0.818 N 1.138 12 residues pruned to eliminate duplicates Z: 7 6.699 1.633 0.323 0.872 1.000 0.833 CA 0.923 7 residues pruned to eliminate duplicates Z: 6 6.269 1.709 0.004 0.844 1.000 0.800 CA 1.216 6 residues pruned to eliminate duplicates Z: 6 7.177 1.665 0.453 0.878 1.000 0.800 CA 0.963 6 residues pruned to eliminate duplicates Z: 7 6.028 1.693 0.275 0.706 0.833 0.500 N 1.135 7 residues pruned to eliminate duplicates Z: 10 6.021 1.535 0.178 0.516 1.000 0.556 CA 1.093 10 residues pruned to eliminate duplicates Z: 53 35.766 1.964 0.547 0.673 0.981 0.596 CB 1.420 53 residues pruned to eliminate duplicates Z: 15 5.933 1.429 0.301 0.585 0.857 0.643 CA 0.917 15 residues pruned to eliminate duplicates Z: 14 7.492 1.510 0.535 0.605 0.923 0.538 CA 0.879 13 residues pruned to eliminate duplicates Z: 6 3.048 1.418 0.622 0.341 0.800 0.400 CB 0.881 6 residues pruned to eliminate duplicates Z: 12 17.065 2.114 0.753 0.530 1.000 0.727 CB 1.348 13 residues pruned to eliminate duplicates Z: 6 3.058 1.506 0.463 0.445 0.600 0.600 C 1.094 6 residues pruned to eliminate duplicates Z: 14 14.555 1.949 0.650 0.504 0.923 0.538 CB 1.354 14 residues pruned to eliminate duplicates Z: 24 20.230 1.963 0.690 0.524 0.913 0.652 CB 1.361 38 residues pruned to eliminate duplicates Z: 22 21.114 2.021 0.733 0.526 0.952 0.762 CB 1.346 22 residues pruned to eliminate duplicates Z: 13 13.182 1.999 0.633 0.507 0.917 0.667 CB 1.263 Z: 6 2.841 1.501 0.793 0.311 1.000 0.400 CA 0.582 6 residues pruned to eliminate duplicates Z: 14 12.351 1.939 0.814 0.564 0.923 0.692 CB 0.992 14 residues pruned to eliminate duplicates Z: 8 8.660 1.808 0.156 0.592 1.000 0.571 CA 1.434 8 residues pruned to eliminate duplicates Z: 23 14.661 1.989 0.361 0.415 0.864 0.500 CB 1.462 23 residues pruned to eliminate duplicates Z: 25 24.828 1.986 0.733 0.481 0.958 0.708 CB 1.567 25 residues pruned to eliminate duplicates Z: 65 50.692 2.123 0.901 0.578 0.938 0.688 CB 1.554 65 residues pruned to eliminate duplicates Z: 54 48.206 2.149 0.905 0.585 0.962 0.679 CB 1.549 54 residues pruned to eliminate duplicates Z: 52 54.034 2.197 0.941 0.618 0.980 0.745 CB 1.618 52 residues pruned to eliminate duplicates Z: 55 46.840 2.151 0.862 0.575 0.944 0.685 CB 1.567 55 residues pruned to eliminate duplicates Z: 46 47.433 2.171 0.900 0.630 0.978 0.711 CB 1.552 46 residues pruned to eliminate duplicates Z: 28 23.409 1.914 0.706 0.474 0.963 0.630 CA 1.472 28 residues pruned to eliminate duplicates Z: 98 68.773 2.204 0.824 0.664 0.938 0.670 CB 1.590 83 residues pruned to eliminate duplicates Z: 6 3.176 1.235 0.793 0.277 1.000 0.800 CA 0.825 6 residues pruned to eliminate duplicates Z: 35 48.473 2.195 0.980 0.720 0.971 0.706 CB 1.615 35 residues pruned to eliminate duplicates Z: 99 66.204 2.187 0.883 0.621 0.929 0.622 CB 1.560 99 residues pruned to eliminate duplicates Z: 34 46.437 2.220 0.976 0.707 0.939 0.697 CB 1.625 34 residues pruned to eliminate duplicates Z: 36 41.808 2.152 0.967 0.728 0.914 0.714 CB 1.487 36 residues pruned to eliminate duplicates Z: 29 45.567 2.254 0.939 0.800 0.964 0.821 CB 1.572 29 residues pruned to eliminate duplicates Z: 53 54.558 2.227 0.756 0.739 0.962 0.577 CB 1.624 53 residues pruned to eliminate duplicates Z: 30 46.621 2.265 0.956 0.804 0.966 0.655 CB 1.552 30 residues pruned to eliminate duplicates Z: 30 46.562 2.216 0.997 0.770 0.966 0.828 CB 1.593 30 residues pruned to eliminate duplicates Z: 30 48.931 2.245 1.129 0.814 0.966 0.655 CB 1.498 30 residues pruned to eliminate duplicates Z: 53 54.739 2.221 0.841 0.722 0.962 0.654 CB 1.581 53 residues pruned to eliminate duplicates Z: 31 45.032 2.225 0.973 0.790 0.933 0.767 CB 1.555 31 residues pruned to eliminate duplicates Z: 40 58.784 2.239 1.027 0.795 0.974 0.538 CB 1.644 40 residues pruned to eliminate duplicates Z: 30 51.052 2.251 1.033 0.810 1.000 0.759 CB 1.581 30 residues pruned to eliminate duplicates Z: 41 48.428 2.217 0.868 0.765 0.900 0.575 CB 1.624 41 residues pruned to eliminate duplicates Z: 52 56.174 2.248 0.841 0.725 0.941 0.569 CB 1.648 52 residues pruned to eliminate duplicates Z: 54 51.520 2.197 0.789 0.712 0.943 0.604 CB 1.575 54 residues pruned to eliminate duplicates Z: 29 48.732 2.260 0.997 0.780 1.000 0.786 CB 1.594 29 residues pruned to eliminate duplicates Z: 31 43.784 2.194 0.912 0.777 0.967 0.700 CB 1.544 31 residues pruned to eliminate duplicates Z: 32 40.009 2.153 0.915 0.746 0.935 0.710 CB 1.496 32 residues pruned to eliminate duplicates Z: 41 50.629 2.249 0.876 0.776 0.950 0.650 CB 1.564 41 residues pruned to eliminate duplicates Z: 82 69.356 2.236 0.883 0.700 0.963 0.728 CB 1.584 82 residues pruned to eliminate duplicates Z: 41 45.206 2.208 0.872 0.756 0.900 0.575 CB 1.530 41 residues pruned to eliminate duplicates Z: 30 49.285 2.258 0.984 0.809 1.000 0.793 CB 1.561 30 residues pruned to eliminate duplicates Z: 54 49.926 2.193 0.743 0.710 0.943 0.679 CB 1.571 54 residues pruned to eliminate duplicates Z: 30 41.849 2.251 0.861 0.778 0.931 0.621 CB 1.560 30 residues pruned to eliminate duplicates Z: 52 54.973 2.231 0.850 0.734 0.941 0.647 CB 1.606 52 residues pruned to eliminate duplicates Z: 53 51.754 2.231 0.822 0.708 0.942 0.635 CB 1.551 53 residues pruned to eliminate duplicates Z: 100 62.466 2.189 0.735 0.641 0.939 0.596 CB 1.543 100 residues pruned to eliminate duplicates Z: 41 50.048 2.213 0.912 0.775 0.925 0.625 CB 1.585 41 residues pruned to eliminate duplicates Z: 118 71.908 2.154 0.875 0.631 0.940 0.641 CB 1.548 156 residues pruned to eliminate duplicates Z: 29 42.266 2.166 0.798 0.850 0.964 0.607 CB 1.575 29 residues pruned to eliminate duplicates Z: 53 54.486 2.208 0.807 0.739 0.962 0.673 CB 1.590 53 residues pruned to eliminate duplicates Z: 41 50.729 2.224 0.920 0.739 0.950 0.700 CB 1.596 41 residues pruned to eliminate duplicates Z: 40 52.802 2.226 0.890 0.775 0.974 0.769 CB 1.618 40 residues pruned to eliminate duplicates Z: 54 55.374 2.194 0.863 0.721 0.962 0.660 CB 1.584 54 residues pruned to eliminate duplicates Z: 117 65.878 2.092 0.887 0.615 0.940 0.638 CB 1.479 127 residues pruned to eliminate duplicates Z: 29 35.928 2.111 0.877 0.858 0.821 0.536 CB 1.536 29 residues pruned to eliminate duplicates Z: 53 53.709 2.228 0.846 0.704 0.942 0.615 CB 1.596 53 residues pruned to eliminate duplicates Z: 54 50.203 2.163 0.956 0.677 0.906 0.604 CB 1.529 54 residues pruned to eliminate duplicates Z: 109 70.284 2.154 0.894 0.634 0.935 0.704 CB 1.563 109 residues pruned to eliminate duplicates Z: 52 59.406 2.255 0.908 0.734 0.941 0.706 CB 1.664 64 residues pruned to eliminate duplicates Z: 6 4.999 1.673 0.452 0.461 0.800 0.800 O 1.196 Z: 55 54.545 2.209 0.882 0.677 0.944 0.704 CB 1.606 61 residues pruned to eliminate duplicates Z: 15 16.671 2.109 0.781 0.517 0.786 0.571 CB 1.484 15 residues pruned to eliminate duplicates Z: 96 63.827 2.166 0.830 0.658 0.947 0.621 CB 1.506 95 residues pruned to eliminate duplicates Z: 6 6.003 1.771 0.917 0.300 0.800 0.400 CA 1.236 6 residues pruned to eliminate duplicates Z: 51 49.775 2.229 0.939 0.634 0.900 0.620 CB 1.596 51 residues pruned to eliminate duplicates Z: 54 50.090 2.196 0.813 0.690 0.925 0.623 CB 1.571 54 residues pruned to eliminate duplicates Z: 55 58.206 2.192 0.994 0.713 0.944 0.667 CB 1.581 55 residues pruned to eliminate duplicates Z: 22 12.745 1.874 0.772 0.363 0.810 0.524 CB 1.200 22 residues pruned to eliminate duplicates Z: 55 54.560 2.200 0.890 0.688 0.944 0.667 CB 1.592 55 residues pruned to eliminate duplicates Z: 105 72.107 2.169 0.899 0.636 0.962 0.644 CB 1.571 105 residues pruned to eliminate duplicates Z: 45 46.819 2.207 0.972 0.621 0.932 0.659 CB 1.552 45 residues pruned to eliminate duplicates Z: 44 49.236 2.224 1.002 0.624 0.953 0.674 CB 1.574 44 residues pruned to eliminate duplicates Z: 66 50.621 2.089 0.924 0.544 0.938 0.554 CB 1.596 65 residues pruned to eliminate duplicates Z: 6 7.866 1.702 0.676 0.456 1.000 1.000 N 1.290 6 residues pruned to eliminate duplicates Z: 28 48.193 2.310 1.092 0.706 0.963 0.741 CB 1.652 28 residues pruned to eliminate duplicates Z: 53 47.113 2.151 0.859 0.587 0.942 0.712 CB 1.595 53 residues pruned to eliminate duplicates Z: 29 49.025 2.281 1.064 0.733 0.929 0.821 CB 1.720 29 residues pruned to eliminate duplicates Z: 27 61.059 2.360 1.288 0.780 1.000 0.808 CB 1.732 27 residues pruned to eliminate duplicates Z: 29 48.797 2.314 1.054 0.773 0.964 0.786 CB 1.581 29 residues pruned to eliminate duplicates Z: 27 55.642 2.361 1.096 0.765 1.000 0.885 CB 1.743 27 residues pruned to eliminate duplicates Z: 29 50.395 2.289 1.122 0.741 0.964 0.821 CB 1.639 29 residues pruned to eliminate duplicates Z: 53 47.336 2.148 0.898 0.611 0.962 0.712 CB 1.507 53 residues pruned to eliminate duplicates Z: 26 56.487 2.394 1.169 0.799 1.000 0.880 CB 1.675 26 residues pruned to eliminate duplicates Z: 27 57.322 2.368 1.189 0.763 1.000 0.731 CB 1.717 27 residues pruned to eliminate duplicates Z: 46 47.521 2.201 0.893 0.644 0.956 0.733 CB 1.555 46 residues pruned to eliminate duplicates Z: 28 48.306 2.307 1.062 0.737 0.963 0.778 CB 1.641 28 residues pruned to eliminate duplicates Z: 46 46.192 2.188 0.918 0.622 0.911 0.600 CB 1.605 46 residues pruned to eliminate duplicates Z: 53 52.516 2.186 0.914 0.619 0.981 0.692 CB 1.586 53 residues pruned to eliminate duplicates Z: 55 48.574 2.139 0.841 0.623 0.944 0.704 CB 1.582 55 residues pruned to eliminate duplicates Z: 43 47.469 2.252 0.899 0.650 0.976 0.667 CB 1.525 43 residues pruned to eliminate duplicates Z: 54 46.536 2.149 0.823 0.585 0.962 0.642 CB 1.564 54 residues pruned to eliminate duplicates Z: 44 49.013 2.232 0.891 0.649 0.953 0.651 CB 1.616 44 residues pruned to eliminate duplicates Z: 29 19.971 1.931 0.576 0.435 0.893 0.536 CB 1.485 29 residues pruned to eliminate duplicates Z: 16 5.820 1.641 0.398 0.226 0.800 0.267 CB 1.129 16 residues pruned to eliminate duplicates Z: 32 48.472 2.238 1.084 0.696 0.968 0.839 CB 1.613 32 residues pruned to eliminate duplicates Z: 32 47.314 2.213 1.045 0.702 0.968 0.677 CB 1.614 32 residues pruned to eliminate duplicates Z: 47 40.212 2.151 0.921 0.654 0.891 0.478 CB 1.395 47 residues pruned to eliminate duplicates Z: 14 18.224 2.055 0.851 0.675 0.846 0.692 CB 1.336 14 residues pruned to eliminate duplicates Z: 13 31.193 2.235 1.173 0.779 0.917 0.583 CB 1.582 13 residues pruned to eliminate duplicates Z: 39 33.942 2.048 0.715 0.710 0.947 0.737 CB 1.367 39 residues pruned to eliminate duplicates Z: 41 45.248 2.035 0.927 0.761 1.000 0.675 CB 1.446 41 residues pruned to eliminate duplicates Z: 52 46.581 2.056 0.917 0.737 0.961 0.745 CB 1.392 52 residues pruned to eliminate duplicates Z: 13 19.610 2.136 1.155 0.644 0.833 0.333 CB 1.290 13 residues pruned to eliminate duplicates Z: 52 46.410 2.038 0.981 0.703 0.961 0.647 CB 1.392 52 residues pruned to eliminate duplicates Z: 24 21.005 2.099 0.745 0.546 0.826 0.478 CB 1.384 24 residues pruned to eliminate duplicates Z: 13 17.799 2.155 0.798 0.622 0.833 0.417 CB 1.419 13 residues pruned to eliminate duplicates Z: 41 45.213 2.000 1.136 0.772 0.950 0.775 CB 1.385 41 residues pruned to eliminate duplicates Z: 11 23.533 2.131 1.157 0.782 0.800 0.700 CB 1.578 11 residues pruned to eliminate duplicates Z: 21 19.682 2.061 0.914 0.487 0.850 0.450 CB 1.330 21 residues pruned to eliminate duplicates Z: 24 26.661 2.165 0.881 0.588 0.913 0.652 CB 1.374 24 residues pruned to eliminate duplicates Z: 14 15.830 2.036 0.792 0.453 0.923 0.692 CB 1.367 14 residues pruned to eliminate duplicates Z: 51 46.680 2.049 1.020 0.735 0.940 0.820 CB 1.374 51 residues pruned to eliminate duplicates Z: 47 35.718 1.956 1.029 0.612 0.870 0.652 CB 1.372 47 residues pruned to eliminate duplicates Z: 12 18.682 2.132 0.892 0.590 1.000 0.636 CB 1.281 12 residues pruned to eliminate duplicates Z: 13 18.510 2.055 0.892 0.515 0.917 0.667 CB 1.477 13 residues pruned to eliminate duplicates Z: 13 16.241 1.993 0.925 0.479 0.917 0.667 CB 1.362 13 residues pruned to eliminate duplicates Z: 47 35.468 1.909 0.926 0.578 0.978 0.522 CB 1.349 47 residues pruned to eliminate duplicates Z: 52 52.633 2.061 1.057 0.749 0.980 0.824 CB 1.420 52 residues pruned to eliminate duplicates Z: 78 45.897 2.117 0.838 0.504 0.909 0.662 CB 1.473 78 residues pruned to eliminate duplicates Z: 13 14.061 2.088 0.845 0.457 0.750 0.583 CB 1.468 13 residues pruned to eliminate duplicates Z: 68 48.293 2.132 0.889 0.547 0.925 0.687 CB 1.511 68 residues pruned to eliminate duplicates Z: 47 41.852 2.092 0.994 0.570 0.913 0.674 CB 1.513 47 residues pruned to eliminate duplicates Z: 55 43.778 2.160 0.780 0.541 0.944 0.630 CB 1.575 55 residues pruned to eliminate duplicates Z: 28 49.678 2.259 0.999 0.725 1.000 0.778 CB 1.728 28 residues pruned to eliminate duplicates Z: 52 48.371 2.169 0.931 0.610 0.941 0.706 CB 1.548 52 residues pruned to eliminate duplicates Z: 28 46.123 2.266 0.858 0.776 0.963 0.815 CB 1.716 28 residues pruned to eliminate duplicates Z: 59 42.155 2.096 0.725 0.584 0.931 0.638 CB 1.517 59 residues pruned to eliminate duplicates Z: 57 46.075 2.148 0.827 0.547 0.964 0.571 CB 1.553 57 residues pruned to eliminate duplicates Z: 28 41.812 2.221 0.949 0.733 0.926 0.741 CB 1.629 28 residues pruned to eliminate duplicates Z: 53 48.917 2.195 0.885 0.625 0.942 0.673 CB 1.547 53 residues pruned to eliminate duplicates Z: 69 42.902 2.102 0.737 0.556 0.926 0.662 CB 1.456 69 residues pruned to eliminate duplicates Z: 54 46.362 2.171 0.802 0.583 0.962 0.623 CB 1.562 54 residues pruned to eliminate duplicates Z: 29 45.313 2.217 0.967 0.702 0.964 0.786 CB 1.694 29 residues pruned to eliminate duplicates Z: 55 46.705 2.154 0.797 0.608 0.963 0.741 CB 1.539 55 residues pruned to eliminate duplicates Z: 29 43.553 2.243 0.868 0.698 0.964 0.786 CB 1.701 29 residues pruned to eliminate duplicates Z: 55 44.172 2.163 0.749 0.594 0.963 0.630 CB 1.509 55 residues pruned to eliminate duplicates Z: 55 47.945 2.178 0.786 0.596 0.963 0.667 CB 1.589 55 residues pruned to eliminate duplicates Z: 81 64.590 2.093 1.083 0.698 0.938 0.800 CB 1.475 81 residues pruned to eliminate duplicates Z: 29 44.890 2.209 1.076 0.684 0.929 0.857 CB 1.684 29 residues pruned to eliminate duplicates Z: 55 44.839 2.172 0.823 0.560 0.963 0.722 CB 1.510 55 residues pruned to eliminate duplicates Z: 55 47.876 2.174 0.844 0.603 0.963 0.722 CB 1.530 55 residues pruned to eliminate duplicates Z: 80 58.339 2.085 0.908 0.679 0.949 0.772 CB 1.475 80 residues pruned to eliminate duplicates Z: 54 49.093 2.199 0.765 0.584 1.000 0.642 CB 1.603 54 residues pruned to eliminate duplicates Z: 89 57.995 2.204 0.784 0.582 0.932 0.682 CB 1.559 89 residues pruned to eliminate duplicates Z: 55 45.630 2.168 0.793 0.573 0.926 0.648 CB 1.607 55 residues pruned to eliminate duplicates Z: 44 46.175 2.187 0.777 0.667 0.977 0.721 CB 1.589 44 residues pruned to eliminate duplicates Z: 55 48.621 2.188 0.833 0.572 0.963 0.630 CB 1.598 55 residues pruned to eliminate duplicates Z: 55 50.059 2.183 0.859 0.617 0.944 0.667 CB 1.590 55 residues pruned to eliminate duplicates Z: 53 49.818 2.194 0.901 0.582 0.962 0.769 CB 1.593 53 residues pruned to eliminate duplicates Z: 55 48.886 2.161 0.833 0.613 0.981 0.722 CB 1.537 55 residues pruned to eliminate duplicates Z: 55 50.137 2.201 0.851 0.590 0.963 0.648 CB 1.595 55 residues pruned to eliminate duplicates Z: 30 21.210 2.050 0.557 0.439 0.897 0.586 CB 1.466 30 residues pruned to eliminate duplicates Z: 31 20.086 1.970 0.608 0.418 0.900 0.500 CB 1.402 31 residues pruned to eliminate duplicates Z: 80 52.175 2.122 0.818 0.597 0.911 0.684 CB 1.522 80 residues pruned to eliminate duplicates Z: 29 21.325 2.026 0.649 0.445 0.893 0.607 CB 1.429 29 residues pruned to eliminate duplicates Z: 56 47.171 2.152 0.944 0.583 0.945 0.636 CB 1.484 56 residues pruned to eliminate duplicates Z: 54 48.761 2.182 0.843 0.579 0.981 0.642 CB 1.573 54 residues pruned to eliminate duplicates Z: 52 42.688 2.137 0.884 0.513 0.922 0.627 CB 1.591 52 residues pruned to eliminate duplicates Z: 109 66.307 2.092 0.912 0.643 0.972 0.685 CB 1.435 109 residues pruned to eliminate duplicates Z: 29 22.444 2.050 0.658 0.483 0.964 0.536 CB 1.316 29 residues pruned to eliminate duplicates Z: 94 62.439 2.162 0.856 0.617 0.978 0.667 CB 1.475 94 residues pruned to eliminate duplicates Z: 55 50.847 2.173 0.868 0.616 0.981 0.648 CB 1.557 55 residues pruned to eliminate duplicates Z: 53 54.478 2.209 1.030 0.612 0.962 0.635 CB 1.575 53 residues pruned to eliminate duplicates Z: 53 54.336 2.203 0.956 0.624 0.962 0.673 CB 1.617 53 residues pruned to eliminate duplicates Z: 30 23.056 2.056 0.698 0.458 0.897 0.552 CB 1.429 30 residues pruned to eliminate duplicates Z: 55 52.122 2.172 0.959 0.593 0.963 0.741 CB 1.584 55 residues pruned to eliminate duplicates Z: 108 60.253 2.047 0.882 0.595 0.935 0.617 CB 1.478 108 residues pruned to eliminate duplicates Z: 107 64.013 2.152 0.866 0.592 0.962 0.623 CB 1.473 107 residues pruned to eliminate duplicates Z: 54 59.356 2.203 1.002 0.665 0.981 0.755 CB 1.618 54 residues pruned to eliminate duplicates Z: 61 55.278 2.182 0.950 0.607 0.950 0.633 CB 1.594 61 residues pruned to eliminate duplicates Z: 54 58.827 2.195 1.029 0.645 0.981 0.736 CB 1.614 54 residues pruned to eliminate duplicates Z: 29 30.454 2.078 0.958 0.548 0.929 0.643 CB 1.453 29 residues pruned to eliminate duplicates Z: 69 37.222 2.080 0.724 0.577 0.882 0.588 CB 1.324 69 residues pruned to eliminate duplicates Z: 56 54.981 2.183 1.026 0.636 0.964 0.764 CB 1.531 56 residues pruned to eliminate duplicates Z: 93 65.392 2.176 0.930 0.623 0.967 0.696 CB 1.494 93 residues pruned to eliminate duplicates Z: 93 62.277 2.190 0.845 0.634 0.957 0.696 CB 1.481 93 residues pruned to eliminate duplicates Z: 36 31.423 2.030 0.842 0.548 0.943 0.714 CB 1.438 36 residues pruned to eliminate duplicates Z: 41 33.938 2.098 0.747 0.575 0.950 0.725 CB 1.434 41 residues pruned to eliminate duplicates Z: 39 32.045 2.230 0.727 0.555 0.895 0.658 CB 1.430 39 residues pruned to eliminate duplicates Z: 42 35.393 2.171 0.717 0.641 0.902 0.659 CB 1.440 42 residues pruned to eliminate duplicates Z: 82 58.831 2.169 0.838 0.695 0.938 0.691 CB 1.463 120 residues pruned to eliminate duplicates Z: 47 39.331 2.184 0.736 0.650 0.957 0.804 CB 1.390 47 residues pruned to eliminate duplicates Z: 15 21.446 2.319 0.482 0.563 1.000 0.786 CB 1.569 15 residues pruned to eliminate duplicates Z: 41 36.783 2.179 0.709 0.612 0.975 0.675 CB 1.441 41 residues pruned to eliminate duplicates Z: 45 34.509 2.120 0.802 0.595 0.932 0.659 CB 1.335 45 residues pruned to eliminate duplicates Z: 19 17.528 2.079 0.637 0.401 0.833 0.556 CB 1.616 19 residues pruned to eliminate duplicates Z: 43 35.459 2.147 0.779 0.609 0.929 0.643 CB 1.390 43 residues pruned to eliminate duplicates Z: 41 38.388 2.203 0.744 0.632 0.950 0.700 CB 1.468 41 residues pruned to eliminate duplicates Z: 80 58.182 2.208 0.815 0.679 0.962 0.747 CB 1.440 80 residues pruned to eliminate duplicates Z: 42 32.564 2.160 0.686 0.583 0.927 0.683 CB 1.391 42 residues pruned to eliminate duplicates Z: 42 36.397 2.167 0.795 0.629 0.951 0.732 CB 1.361 42 residues pruned to eliminate duplicates Z: 41 37.531 2.180 0.839 0.610 0.975 0.650 CB 1.367 41 residues pruned to eliminate duplicates Z: 28 32.566 2.095 0.780 0.720 0.963 0.778 CB 1.430 28 residues pruned to eliminate duplicates Z: 41 36.369 2.158 0.741 0.643 0.950 0.775 CB 1.409 41 residues pruned to eliminate duplicates Z: 80 57.893 2.208 0.804 0.692 0.937 0.671 CB 1.465 80 residues pruned to eliminate duplicates Z: 82 58.099 2.143 0.873 0.666 0.963 0.728 CB 1.432 81 residues pruned to eliminate duplicates Z: 6 8.080 1.697 0.831 0.478 1.000 0.600 CA 1.189 6 residues pruned to eliminate duplicates Z: 66 58.474 2.141 0.942 0.750 0.969 0.723 CB 1.440 66 residues pruned to eliminate duplicates Z: 13 30.031 2.285 1.236 0.644 0.833 0.667 CB 1.781 13 residues pruned to eliminate duplicates Z: 47 43.227 2.243 0.765 0.705 0.870 0.696 CB 1.537 28 residues pruned to eliminate duplicates 6 1.506 1.806 0.162 0.100 0.400 0.200 CB 1.337 ? Z: 6 11.153 2.040 0.520 0.393 1.000 0.600 CA 1.800 6 residues pruned to eliminate duplicates Z: 36 37.941 2.237 0.585 0.752 0.943 0.714 CB 1.533 36 residues pruned to eliminate duplicates Z: 38 31.293 2.146 0.527 0.700 0.865 0.649 CB 1.512 38 residues pruned to eliminate duplicates Z: 37 45.330 2.225 0.740 0.759 1.000 0.694 CB 1.549 37 residues pruned to eliminate duplicates 6 1.295 1.455 0.673 0.267 1.000 0.600 N 0.310 ? Z: 29 27.940 2.072 0.515 0.809 0.893 0.607 CB 1.439 29 residues pruned to eliminate duplicates Z: 37 42.833 2.175 0.730 0.785 0.972 0.722 CB 1.519 37 residues pruned to eliminate duplicates Z: 43 44.443 2.140 0.744 0.768 0.952 0.643 CB 1.520 42 residues pruned to eliminate duplicates Z: 27 34.673 2.152 0.854 0.844 0.923 0.615 CB 1.373 31 residues pruned to eliminate duplicates Z: 26 35.624 2.196 0.730 0.879 0.920 0.600 CB 1.478 26 residues pruned to eliminate duplicates Z: 35 52.905 2.267 0.948 0.826 1.000 0.735 CB 1.550 35 residues pruned to eliminate duplicates Z: 37 44.809 2.212 0.912 0.759 0.944 0.611 CB 1.485 37 residues pruned to eliminate duplicates Z: 39 50.831 2.238 0.907 0.811 0.947 0.632 CB 1.556 39 residues pruned to eliminate duplicates Z: 37 38.087 2.185 0.720 0.723 0.944 0.583 CB 1.463 37 residues pruned to eliminate duplicates Z: 82 52.385 2.169 0.762 0.689 0.889 0.679 CB 1.441 41 residues pruned to eliminate duplicates Z: 25 37.143 2.212 0.771 0.901 0.917 0.667 CB 1.507 25 residues pruned to eliminate duplicates Z: 38 47.617 2.182 0.846 0.772 0.973 0.676 CB 1.571 38 residues pruned to eliminate duplicates Z: 52 48.195 2.245 0.736 0.707 0.961 0.706 CB 1.494 52 residues pruned to eliminate duplicates Z: 37 45.607 2.218 0.789 0.761 0.972 0.722 CB 1.562 37 residues pruned to eliminate duplicates Z: 56 47.460 2.182 0.713 0.702 0.982 0.727 CB 1.451 56 residues pruned to eliminate duplicates Z: 80 55.143 2.177 0.738 0.673 0.949 0.722 CB 1.472 80 residues pruned to eliminate duplicates Z: 37 37.374 2.223 0.609 0.677 0.944 0.667 CB 1.567 37 residues pruned to eliminate duplicates Z: 38 47.389 2.197 0.878 0.740 0.946 0.730 CB 1.609 38 residues pruned to eliminate duplicates Z: 36 49.383 2.260 0.852 0.770 1.000 0.800 CB 1.571 36 residues pruned to eliminate duplicates Z: 41 45.661 2.230 0.781 0.727 0.975 0.700 CB 1.520 41 residues pruned to eliminate duplicates Z: 40 39.709 2.163 0.614 0.687 0.974 0.795 CB 1.575 40 residues pruned to eliminate duplicates Z: 38 39.519 2.141 0.702 0.649 0.973 0.703 CB 1.595 38 residues pruned to eliminate duplicates Z: 79 51.534 2.169 0.709 0.650 0.949 0.628 CB 1.443 79 residues pruned to eliminate duplicates Z: 31 29.947 2.108 0.661 0.779 0.900 0.733 CB 1.357 31 residues pruned to eliminate duplicates Z: 30 34.342 2.064 0.979 0.678 0.966 0.759 CB 1.373 30 residues pruned to eliminate duplicates Z: 16 19.062 1.866 0.571 0.884 1.000 0.867 CB 1.213 16 residues pruned to eliminate duplicates Z: 27 28.554 2.062 0.692 0.682 0.962 0.692 CB 1.412 27 residues pruned to eliminate duplicates Z: 42 33.527 2.165 0.798 0.610 0.878 0.683 CB 1.380 42 residues pruned to eliminate duplicates Z: 26 38.791 2.143 1.082 0.755 1.000 0.720 CB 1.386 26 residues pruned to eliminate duplicates Z: 33 35.647 2.099 0.951 0.666 0.906 0.594 CB 1.457 33 residues pruned to eliminate duplicates Z: 14 23.631 1.985 0.817 0.912 0.923 0.769 CB 1.394 14 residues pruned to eliminate duplicates Z: 26 41.398 2.127 1.125 0.775 1.000 0.880 CB 1.437 26 residues pruned to eliminate duplicates Z: 16 23.764 1.877 0.950 0.934 1.000 0.933 CB 1.169 16 residues pruned to eliminate duplicates Z: 26 32.634 2.117 0.930 0.723 0.960 0.600 CB 1.360 26 residues pruned to eliminate duplicates Z: 44 35.912 2.092 0.824 0.607 0.953 0.558 CB 1.360 44 residues pruned to eliminate duplicates Z: 26 37.296 2.105 1.091 0.741 0.960 0.680 CB 1.422 26 residues pruned to eliminate duplicates Z: 43 41.076 2.142 1.056 0.670 0.905 0.548 CB 1.359 43 residues pruned to eliminate duplicates Z: 53 40.710 2.112 0.651 0.709 0.942 0.635 CB 1.421 53 residues pruned to eliminate duplicates Z: 6 2.691 1.349 0.668 0.262 0.600 0.400 N 1.170 Z: 7 8.787 1.851 1.132 0.333 0.833 0.333 CB 1.311 Z: 7 11.517 1.817 0.990 0.352 1.000 0.667 N 1.526 6 residues pruned to eliminate duplicates Z: 27 22.794 2.042 0.406 0.815 0.923 0.654 CB 1.283 Z: 27 24.589 2.038 0.441 0.834 1.000 0.654 CB 1.231 27 residues pruned to eliminate duplicates Z: 21 22.677 2.016 0.648 0.809 0.900 0.700 CB 1.295 21 residues pruned to eliminate duplicates Z: 38 40.967 2.151 0.787 0.809 0.973 0.622 CB 1.376 41 residues pruned to eliminate duplicates Z: 26 27.469 2.074 0.631 0.866 0.960 0.520 CB 1.239 26 residues pruned to eliminate duplicates Z: 51 40.520 2.141 0.739 0.669 0.940 0.560 CB 1.401 89 residues pruned to eliminate duplicates Z: 40 40.270 2.120 0.704 0.778 1.000 0.692 CB 1.397 Z: 25 32.206 2.080 0.700 0.874 1.000 0.708 CB 1.353 26 residues pruned to eliminate duplicates Z: 26 28.363 2.075 0.622 0.889 1.000 0.720 CB 1.214 26 residues pruned to eliminate duplicates Z: 40 38.186 2.121 0.739 0.786 0.949 0.692 CB 1.359 40 residues pruned to eliminate duplicates Z: 39 37.854 2.122 0.650 0.783 0.974 0.737 CB 1.404 39 residues pruned to eliminate duplicates Z: 54 40.401 2.073 0.798 0.683 0.962 0.604 CB 1.308 93 residues pruned to eliminate duplicates Z: 26 24.108 2.059 0.576 0.862 0.880 0.720 CB 1.240 Z: 26 28.714 2.063 0.682 0.886 1.000 0.680 CB 1.194 26 residues pruned to eliminate duplicates Z: 25 28.104 2.092 0.571 0.878 0.958 0.583 CB 1.322 26 residues pruned to eliminate duplicates Z: 26 26.114 2.067 0.579 0.851 0.960 0.680 CB 1.234 26 residues pruned to eliminate duplicates Z: 40 37.780 2.113 0.701 0.762 0.949 0.641 CB 1.406 26 residues pruned to eliminate duplicates Z: 26 26.900 2.057 0.491 0.896 1.000 0.720 CB 1.257 25 residues pruned to eliminate duplicates Z: 25 28.536 2.088 0.539 0.875 1.000 0.708 CB 1.319 25 residues pruned to eliminate duplicates Z: 39 39.693 2.157 0.755 0.788 0.947 0.579 CB 1.394 40 residues pruned to eliminate duplicates Z: 24 24.698 2.073 0.412 0.874 0.957 0.696 CB 1.340 24 residues pruned to eliminate duplicates Z: 39 41.037 2.155 0.681 0.805 1.000 0.684 CB 1.408 39 residues pruned to eliminate duplicates Z: 52 43.693 2.136 0.752 0.704 0.961 0.588 CB 1.414 92 residues pruned to eliminate duplicates Z: 26 26.514 2.038 0.573 0.869 0.920 0.640 CB 1.313 Z: 25 29.897 2.078 0.733 0.873 1.000 0.667 CB 1.234 26 residues pruned to eliminate duplicates Z: 25 28.817 2.088 0.580 0.886 1.000 0.625 CB 1.287 25 residues pruned to eliminate duplicates Z: 52 43.376 2.137 0.738 0.705 0.961 0.686 CB 1.413 77 residues pruned to eliminate duplicates Z: 52 43.336 2.126 0.721 0.704 0.961 0.686 CB 1.433 52 residues pruned to eliminate duplicates Z: 51 43.061 2.147 0.704 0.705 0.980 0.620 CB 1.409 51 residues pruned to eliminate duplicates Z: 50 38.224 2.114 0.658 0.676 0.918 0.673 CB 1.442 50 residues pruned to eliminate duplicates Z: 14 18.174 2.061 0.957 0.496 0.923 0.615 CB 1.359 14 residues pruned to eliminate duplicates Z: 14 16.211 2.026 0.799 0.469 0.923 0.692 CB 1.380 14 residues pruned to eliminate duplicates Z: 53 41.575 2.088 0.710 0.709 0.962 0.673 CB 1.390 53 residues pruned to eliminate duplicates Z: 12 20.382 2.160 0.904 0.537 0.909 0.727 CB 1.585 12 residues pruned to eliminate duplicates Z: 6 6.034 1.561 0.758 0.448 0.800 0.600 CA 1.296 6 residues pruned to eliminate duplicates Z: 13 15.270 2.000 0.720 0.488 0.917 0.583 CB 1.414 13 residues pruned to eliminate duplicates Z: 13 24.578 2.077 1.106 0.601 1.000 0.833 CB 1.473 13 residues pruned to eliminate duplicates Z: 14 18.836 2.011 0.991 0.510 1.000 0.615 CB 1.292 14 residues pruned to eliminate duplicates 362 residues left after pruning, divided into chains as follows: A: 7 B: 25 C: 23 D: 13 E: 170 F: 14 G: 95 H: 15 CC for partial structure against native data = 35.20 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.448, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.509, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.597, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.601, Connect. = 0.785 for dens.mod. cycle 4 = 0.300, Contrast = 0.608, Connect. = 0.786 for dens.mod. cycle 5 = 0.300, Contrast = 0.611, Connect. = 0.787 for dens.mod. cycle 6 = 0.300, Contrast = 0.615, Connect. = 0.789 for dens.mod. cycle 7 = 0.300, Contrast = 0.617, Connect. = 0.790 for dens.mod. cycle 8 = 0.300, Contrast = 0.619, Connect. = 0.790 for dens.mod. cycle 9 TimeTaking 175.17